USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 307 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 561 ASN : amide:sc= -2.74! K(o=-3.9!,f=-4.6) USER MOD Set 1.2: A 565 ASN : amide:sc= -1.2 K(o=-3.9,f=-8.1!) USER MOD Single : A 548 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 549 GLN :FLIP amide:sc= -0.0196 F(o=-1.2,f=-0.02) USER MOD Single : A 550 GLN : amide:sc= 0.22 K(o=0.22,f=-4.6!) USER MOD Single : A 553 GLN :FLIP amide:sc= -3.02! C(o=-4.8!,f=-3!) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 MET CE :methyl -158:sc= -0.187 (180deg=-0.795) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 THR OG1 : rot -76:sc= 0.363 USER MOD Single : A 577 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 146 N ARG A 546 -13.406 8.157 -3.743 1.00 0.00 N ATOM 147 CA ARG A 546 -12.933 6.818 -3.508 1.00 0.00 C ATOM 148 C ARG A 546 -13.380 6.336 -2.149 1.00 0.00 C ATOM 149 O ARG A 546 -12.681 5.583 -1.488 1.00 0.00 O ATOM 150 CB ARG A 546 -11.433 6.825 -3.609 1.00 0.00 C ATOM 151 CG ARG A 546 -10.921 6.378 -4.945 1.00 0.00 C ATOM 152 CD ARG A 546 -9.659 7.134 -5.316 1.00 0.00 C ATOM 153 NE ARG A 546 -9.952 8.385 -6.013 1.00 0.00 N ATOM 154 CZ ARG A 546 -9.020 9.251 -6.399 1.00 0.00 C ATOM 155 NH1 ARG A 546 -7.740 9.013 -6.145 1.00 0.00 N ATOM 156 NH2 ARG A 546 -9.367 10.360 -7.041 1.00 0.00 N ATOM 0 HA ARG A 546 -13.347 6.136 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 546 -11.068 7.832 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 546 -11.022 6.176 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 546 -10.716 5.308 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 546 -11.685 6.540 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 546 -9.087 7.348 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 546 -9.033 6.505 -5.949 1.00 0.00 H new ATOM 0 HE ARG A 546 -10.927 8.606 -6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 546 -7.467 8.163 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 546 -7.028 9.680 -6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 546 -10.350 10.549 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 546 -8.651 11.024 -7.337 1.00 0.00 H new ATOM 170 N PHE A 547 -14.578 6.725 -1.743 1.00 0.00 N ATOM 171 CA PHE A 547 -15.051 6.334 -0.437 1.00 0.00 C ATOM 172 C PHE A 547 -14.076 6.870 0.617 1.00 0.00 C ATOM 173 O PHE A 547 -13.934 6.312 1.702 1.00 0.00 O ATOM 174 CB PHE A 547 -15.143 4.809 -0.395 1.00 0.00 C ATOM 175 CG PHE A 547 -16.393 4.262 0.230 1.00 0.00 C ATOM 176 CD1 PHE A 547 -16.918 4.867 1.357 1.00 0.00 C ATOM 177 CD2 PHE A 547 -17.060 3.178 -0.319 1.00 0.00 C ATOM 178 CE1 PHE A 547 -18.082 4.405 1.928 1.00 0.00 C ATOM 179 CE2 PHE A 547 -18.231 2.714 0.245 1.00 0.00 C ATOM 180 CZ PHE A 547 -18.661 3.176 1.402 1.00 0.00 C ATOM 0 H PHE A 547 -15.223 7.297 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 547 -16.039 6.746 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -15.068 4.428 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -14.283 4.424 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -16.408 5.713 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -16.660 2.692 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -18.552 4.938 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -18.805 1.959 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 547 -19.430 2.652 1.951 1.00 0.00 H new ATOM 190 N GLN A 548 -13.345 7.916 0.202 1.00 0.00 N ATOM 191 CA GLN A 548 -12.368 8.643 1.010 1.00 0.00 C ATOM 192 C GLN A 548 -11.691 7.801 2.084 1.00 0.00 C ATOM 193 O GLN A 548 -10.559 7.351 1.914 1.00 0.00 O ATOM 194 CB GLN A 548 -13.021 9.886 1.622 1.00 0.00 C ATOM 195 CG GLN A 548 -14.412 9.648 2.191 1.00 0.00 C ATOM 196 CD GLN A 548 -15.052 10.917 2.721 1.00 0.00 C ATOM 197 OE1 GLN A 548 -14.786 12.014 2.228 1.00 0.00 O ATOM 198 NE2 GLN A 548 -15.901 10.774 3.732 1.00 0.00 N ATOM 0 H GLN A 548 -13.425 8.289 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 548 -11.567 8.937 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 548 -12.377 10.267 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 548 -13.081 10.663 0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 548 -15.049 9.221 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 548 -14.351 8.914 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 548 -16.092 9.846 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 548 -16.362 11.592 4.131 1.00 0.00 H new ATOM 207 N GLN A 549 -12.392 7.595 3.177 1.00 0.00 N ATOM 208 CA GLN A 549 -11.849 6.839 4.313 1.00 0.00 C ATOM 209 C GLN A 549 -11.752 5.356 3.985 1.00 0.00 C ATOM 210 O GLN A 549 -10.718 4.713 4.185 1.00 0.00 O ATOM 211 CB GLN A 549 -12.724 7.043 5.551 1.00 0.00 C ATOM 212 CG GLN A 549 -12.782 8.484 6.026 1.00 0.00 C ATOM 213 CD GLN A 549 -13.700 8.674 7.220 1.00 0.00 C ATOM 214 OE1 GLN A 549 -14.756 7.872 7.290 1.00 0.00 O flip ATOM 215 NE2 GLN A 549 -13.464 9.536 8.067 1.00 0.00 N flip ATOM 0 H GLN A 549 -13.343 7.936 3.315 1.00 0.00 H new ATOM 0 HA GLN A 549 -10.846 7.212 4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 549 -13.735 6.701 5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 549 -12.345 6.418 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 549 -11.778 8.815 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 549 -13.122 9.118 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 549 -12.641 10.131 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 549 -14.092 9.655 8.862 1.00 0.00 H new ATOM 224 N GLN A 550 -12.847 4.825 3.484 1.00 0.00 N ATOM 225 CA GLN A 550 -12.906 3.444 3.098 1.00 0.00 C ATOM 226 C GLN A 550 -11.734 3.156 2.162 1.00 0.00 C ATOM 227 O GLN A 550 -11.089 2.102 2.241 1.00 0.00 O ATOM 228 CB GLN A 550 -14.241 3.194 2.431 1.00 0.00 C ATOM 229 CG GLN A 550 -15.371 2.830 3.386 1.00 0.00 C ATOM 230 CD GLN A 550 -15.680 3.934 4.378 1.00 0.00 C ATOM 231 OE1 GLN A 550 -15.453 5.113 4.108 1.00 0.00 O ATOM 232 NE2 GLN A 550 -16.222 3.557 5.526 1.00 0.00 N ATOM 0 H GLN A 550 -13.714 5.341 3.336 1.00 0.00 H new ATOM 0 HA GLN A 550 -12.825 2.778 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 550 -14.527 4.087 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 550 -14.124 2.390 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 550 -16.268 2.603 2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 550 -15.104 1.924 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 550 -16.393 2.568 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 550 -16.468 4.255 6.227 1.00 0.00 H new ATOM 241 N LEU A 551 -11.469 4.116 1.274 1.00 0.00 N ATOM 242 CA LEU A 551 -10.337 4.023 0.358 1.00 0.00 C ATOM 243 C LEU A 551 -9.044 3.933 1.148 1.00 0.00 C ATOM 244 O LEU A 551 -8.138 3.188 0.790 1.00 0.00 O ATOM 245 CB LEU A 551 -10.291 5.249 -0.558 1.00 0.00 C ATOM 246 CG LEU A 551 -9.012 6.080 -0.494 1.00 0.00 C ATOM 247 CD1 LEU A 551 -7.915 5.461 -1.349 1.00 0.00 C ATOM 248 CD2 LEU A 551 -9.282 7.514 -0.925 1.00 0.00 C ATOM 0 H LEU A 551 -12.024 4.965 1.172 1.00 0.00 H new ATOM 0 HA LEU A 551 -10.455 3.128 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -10.434 4.916 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -11.134 5.895 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 551 -8.668 6.090 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 551 -7.015 6.073 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -7.696 4.456 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -8.247 5.411 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 551 -8.358 8.090 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -9.657 7.522 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 551 -10.025 7.959 -0.263 1.00 0.00 H new ATOM 260 N GLU A 552 -8.965 4.712 2.224 1.00 0.00 N ATOM 261 CA GLU A 552 -7.774 4.727 3.057 1.00 0.00 C ATOM 262 C GLU A 552 -7.428 3.313 3.482 1.00 0.00 C ATOM 263 O GLU A 552 -6.256 2.984 3.654 1.00 0.00 O ATOM 264 CB GLU A 552 -7.958 5.617 4.288 1.00 0.00 C ATOM 265 CG GLU A 552 -8.177 7.083 3.955 1.00 0.00 C ATOM 266 CD GLU A 552 -8.187 7.966 5.186 1.00 0.00 C ATOM 267 OE1 GLU A 552 -7.095 8.395 5.618 1.00 0.00 O ATOM 268 OE2 GLU A 552 -9.284 8.229 5.721 1.00 0.00 O ATOM 0 H GLU A 552 -9.709 5.336 2.535 1.00 0.00 H new ATOM 0 HA GLU A 552 -6.956 5.142 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -8.809 5.253 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -7.079 5.526 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -7.392 7.419 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -9.123 7.194 3.425 1.00 0.00 H new ATOM 275 N GLN A 553 -8.449 2.475 3.657 1.00 0.00 N ATOM 276 CA GLN A 553 -8.216 1.108 4.054 1.00 0.00 C ATOM 277 C GLN A 553 -7.760 0.236 2.877 1.00 0.00 C ATOM 278 O GLN A 553 -6.664 -0.341 2.947 1.00 0.00 O ATOM 279 CB GLN A 553 -9.474 0.552 4.694 1.00 0.00 C ATOM 280 CG GLN A 553 -9.502 0.713 6.206 1.00 0.00 C ATOM 281 CD GLN A 553 -10.579 1.668 6.685 1.00 0.00 C ATOM 282 OE1 GLN A 553 -10.912 2.657 5.862 1.00 0.00 O flip ATOM 283 NE2 GLN A 553 -11.110 1.519 7.786 1.00 0.00 N flip ATOM 0 H GLN A 553 -9.430 2.724 3.529 1.00 0.00 H new ATOM 0 HA GLN A 553 -7.404 1.093 4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -10.343 1.053 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -9.562 -0.506 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -9.660 -0.263 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -8.530 1.072 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -10.826 0.747 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -11.834 2.168 8.095 1.00 0.00 H new ATOM 292 N LEU A 554 -8.548 0.105 1.784 1.00 0.00 N ATOM 293 CA LEU A 554 -8.065 -0.693 0.654 1.00 0.00 C ATOM 294 C LEU A 554 -6.706 -0.207 0.187 1.00 0.00 C ATOM 295 O LEU A 554 -5.877 -0.996 -0.270 1.00 0.00 O ATOM 296 CB LEU A 554 -9.067 -0.709 -0.523 1.00 0.00 C ATOM 297 CG LEU A 554 -9.995 -1.916 -0.543 1.00 0.00 C ATOM 298 CD1 LEU A 554 -10.847 -1.901 -1.793 1.00 0.00 C ATOM 299 CD2 LEU A 554 -9.202 -3.210 -0.463 1.00 0.00 C ATOM 0 H LEU A 554 -9.472 0.521 1.669 1.00 0.00 H new ATOM 0 HA LEU A 554 -7.967 -1.718 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -9.671 0.198 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.510 -0.679 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 554 -10.646 -1.860 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -11.506 -2.769 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -11.446 -0.991 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -10.204 -1.932 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -9.887 -4.058 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.524 -3.275 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.625 -3.227 0.462 1.00 0.00 H new ATOM 311 N SER A 555 -6.481 1.090 0.301 1.00 0.00 N ATOM 312 CA SER A 555 -5.206 1.666 -0.079 1.00 0.00 C ATOM 313 C SER A 555 -4.146 1.225 0.918 1.00 0.00 C ATOM 314 O SER A 555 -3.011 0.927 0.549 1.00 0.00 O ATOM 315 CB SER A 555 -5.290 3.193 -0.120 1.00 0.00 C ATOM 316 OG SER A 555 -4.046 3.765 -0.481 1.00 0.00 O ATOM 0 H SER A 555 -7.163 1.762 0.653 1.00 0.00 H new ATOM 0 HA SER A 555 -4.940 1.318 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 555 -6.055 3.499 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 555 -5.597 3.569 0.856 1.00 0.00 H new ATOM 0 HG SER A 555 -4.128 4.741 -0.501 1.00 0.00 H new ATOM 322 N ALA A 556 -4.530 1.195 2.193 1.00 0.00 N ATOM 323 CA ALA A 556 -3.630 0.782 3.259 1.00 0.00 C ATOM 324 C ALA A 556 -3.004 -0.591 3.028 1.00 0.00 C ATOM 325 O ALA A 556 -1.861 -0.806 3.429 1.00 0.00 O ATOM 326 CB ALA A 556 -4.360 0.797 4.593 1.00 0.00 C ATOM 0 H ALA A 556 -5.464 1.454 2.510 1.00 0.00 H new ATOM 0 HA ALA A 556 -2.812 1.502 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 556 -3.678 0.486 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 556 -4.720 1.805 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 556 -5.206 0.111 4.553 1.00 0.00 H new ATOM 332 N MET A 557 -3.713 -1.533 2.396 1.00 0.00 N ATOM 333 CA MET A 557 -3.135 -2.861 2.160 1.00 0.00 C ATOM 334 C MET A 557 -2.563 -2.968 0.748 1.00 0.00 C ATOM 335 O MET A 557 -2.405 -4.065 0.212 1.00 0.00 O ATOM 336 CB MET A 557 -4.198 -3.945 2.362 1.00 0.00 C ATOM 337 CG MET A 557 -4.285 -4.453 3.792 1.00 0.00 C ATOM 338 SD MET A 557 -2.827 -5.393 4.288 1.00 0.00 S ATOM 339 CE MET A 557 -2.921 -6.784 3.166 1.00 0.00 C ATOM 0 H MET A 557 -4.663 -1.407 2.047 1.00 0.00 H new ATOM 0 HA MET A 557 -2.326 -3.005 2.876 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.169 -3.549 2.066 1.00 0.00 H new ATOM 0 HB3 MET A 557 -3.981 -4.783 1.700 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.413 -3.606 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.170 -5.081 3.897 1.00 0.00 H new ATOM 0 HE1 MET A 557 -2.358 -7.622 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 557 -3.963 -7.076 3.035 1.00 0.00 H new ATOM 0 HE3 MET A 557 -2.499 -6.502 2.201 1.00 0.00 H new ATOM 349 N GLY A 558 -2.256 -1.822 0.158 1.00 0.00 N ATOM 350 CA GLY A 558 -1.722 -1.796 -1.191 1.00 0.00 C ATOM 351 C GLY A 558 -2.651 -1.070 -2.137 1.00 0.00 C ATOM 352 O GLY A 558 -2.919 0.114 -1.941 1.00 0.00 O ATOM 0 H GLY A 558 -2.367 -0.905 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 558 -0.748 -1.308 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 558 -1.567 -2.816 -1.542 1.00 0.00 H new ATOM 356 N PHE A 559 -3.146 -1.772 -3.159 1.00 0.00 N ATOM 357 CA PHE A 559 -4.074 -1.233 -4.151 1.00 0.00 C ATOM 358 C PHE A 559 -3.951 0.261 -4.441 1.00 0.00 C ATOM 359 O PHE A 559 -4.283 1.116 -3.619 1.00 0.00 O ATOM 360 CB PHE A 559 -5.482 -1.608 -3.742 1.00 0.00 C ATOM 361 CG PHE A 559 -5.663 -3.080 -3.712 1.00 0.00 C ATOM 362 CD1 PHE A 559 -5.799 -3.825 -4.870 1.00 0.00 C ATOM 363 CD2 PHE A 559 -5.691 -3.700 -2.514 1.00 0.00 C ATOM 364 CE1 PHE A 559 -5.963 -5.196 -4.801 1.00 0.00 C ATOM 365 CE2 PHE A 559 -5.857 -5.064 -2.417 1.00 0.00 C ATOM 366 CZ PHE A 559 -5.991 -5.818 -3.568 1.00 0.00 C ATOM 0 H PHE A 559 -2.907 -2.750 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 559 -3.804 -1.687 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 559 -5.699 -1.193 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 559 -6.195 -1.166 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 559 -5.777 -3.334 -5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 559 -5.581 -3.115 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 559 -6.069 -5.777 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 559 -5.882 -5.541 -1.448 1.00 0.00 H new ATOM 0 HZ PHE A 559 -6.117 -6.889 -3.503 1.00 0.00 H new ATOM 376 N LEU A 560 -3.503 0.538 -5.660 1.00 0.00 N ATOM 377 CA LEU A 560 -3.353 1.898 -6.152 1.00 0.00 C ATOM 378 C LEU A 560 -4.443 2.163 -7.183 1.00 0.00 C ATOM 379 O LEU A 560 -4.442 3.180 -7.874 1.00 0.00 O ATOM 380 CB LEU A 560 -1.971 2.101 -6.774 1.00 0.00 C ATOM 381 CG LEU A 560 -0.789 1.766 -5.861 1.00 0.00 C ATOM 382 CD1 LEU A 560 0.523 1.894 -6.619 1.00 0.00 C ATOM 383 CD2 LEU A 560 -0.787 2.667 -4.635 1.00 0.00 C ATOM 0 H LEU A 560 -3.233 -0.178 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 560 -3.448 2.598 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 560 -1.901 1.487 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 560 -1.882 3.140 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 560 -0.895 0.734 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 560 1.352 1.652 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 560 0.523 1.206 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 560 0.635 2.916 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 560 0.061 2.413 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 560 -0.707 3.708 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 560 -1.714 2.526 -4.078 1.00 0.00 H new ATOM 395 N ASN A 561 -5.372 1.211 -7.268 1.00 0.00 N ATOM 396 CA ASN A 561 -6.487 1.276 -8.180 1.00 0.00 C ATOM 397 C ASN A 561 -7.651 2.014 -7.533 1.00 0.00 C ATOM 398 O ASN A 561 -8.338 1.481 -6.663 1.00 0.00 O ATOM 399 CB ASN A 561 -6.893 -0.139 -8.556 1.00 0.00 C ATOM 400 CG ASN A 561 -6.552 -1.147 -7.481 1.00 0.00 C ATOM 401 OD1 ASN A 561 -7.304 -1.342 -6.527 1.00 0.00 O ATOM 402 ND2 ASN A 561 -5.413 -1.802 -7.642 1.00 0.00 N ATOM 0 H ASN A 561 -5.361 0.368 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 561 -6.200 1.822 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 561 -7.966 -0.166 -8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 561 -6.396 -0.421 -9.484 1.00 0.00 H new ATOM 0 HD21 ASN A 561 -5.127 -2.503 -6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 561 -4.822 -1.606 -8.450 1.00 0.00 H new ATOM 409 N ARG A 562 -7.863 3.242 -7.977 1.00 0.00 N ATOM 410 CA ARG A 562 -8.916 4.095 -7.445 1.00 0.00 C ATOM 411 C ARG A 562 -10.307 3.484 -7.614 1.00 0.00 C ATOM 412 O ARG A 562 -10.956 3.109 -6.637 1.00 0.00 O ATOM 413 CB ARG A 562 -8.847 5.456 -8.138 1.00 0.00 C ATOM 414 CG ARG A 562 -7.437 6.034 -8.202 1.00 0.00 C ATOM 415 CD ARG A 562 -6.749 6.018 -6.839 1.00 0.00 C ATOM 416 NE ARG A 562 -5.366 6.481 -6.916 1.00 0.00 N ATOM 417 CZ ARG A 562 -4.507 6.411 -5.903 1.00 0.00 C ATOM 418 NH1 ARG A 562 -4.887 5.900 -4.740 1.00 0.00 N ATOM 419 NH2 ARG A 562 -3.266 6.855 -6.051 1.00 0.00 N ATOM 0 H ARG A 562 -7.311 3.677 -8.716 1.00 0.00 H new ATOM 0 HA ARG A 562 -8.753 4.205 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -9.238 5.360 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -9.495 6.157 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -6.843 5.462 -8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -7.482 7.058 -8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -7.304 6.650 -6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -6.770 5.006 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 562 -5.041 6.881 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -5.841 5.559 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -4.226 5.848 -3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -2.969 7.251 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -2.609 6.800 -5.273 1.00 0.00 H new ATOM 433 N GLU A 563 -10.759 3.402 -8.859 1.00 0.00 N ATOM 434 CA GLU A 563 -12.078 2.858 -9.174 1.00 0.00 C ATOM 435 C GLU A 563 -12.303 1.481 -8.541 1.00 0.00 C ATOM 436 O GLU A 563 -13.426 1.146 -8.140 1.00 0.00 O ATOM 437 CB GLU A 563 -12.251 2.759 -10.691 1.00 0.00 C ATOM 438 CG GLU A 563 -13.538 3.384 -11.206 1.00 0.00 C ATOM 439 CD GLU A 563 -14.779 2.701 -10.666 1.00 0.00 C ATOM 440 OE1 GLU A 563 -15.221 3.064 -9.556 1.00 0.00 O ATOM 441 OE2 GLU A 563 -15.307 1.801 -11.352 1.00 0.00 O ATOM 0 H GLU A 563 -10.228 3.708 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 563 -12.819 3.539 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 563 -11.404 3.244 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 563 -12.227 1.709 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 563 -13.560 4.438 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 563 -13.548 3.339 -12.295 1.00 0.00 H new ATOM 448 N ALA A 564 -11.231 0.702 -8.406 1.00 0.00 N ATOM 449 CA ALA A 564 -11.332 -0.646 -7.862 1.00 0.00 C ATOM 450 C ALA A 564 -11.490 -0.642 -6.347 1.00 0.00 C ATOM 451 O ALA A 564 -12.030 -1.590 -5.776 1.00 0.00 O ATOM 452 CB ALA A 564 -10.118 -1.471 -8.262 1.00 0.00 C ATOM 0 H ALA A 564 -10.285 0.983 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 564 -12.229 -1.099 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 564 -10.208 -2.475 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 564 -10.060 -1.530 -9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 564 -9.214 -0.999 -7.876 1.00 0.00 H new ATOM 458 N ASN A 565 -11.025 0.419 -5.693 1.00 0.00 N ATOM 459 CA ASN A 565 -11.112 0.507 -4.240 1.00 0.00 C ATOM 460 C ASN A 565 -12.512 0.904 -3.812 1.00 0.00 C ATOM 461 O ASN A 565 -13.117 0.257 -2.962 1.00 0.00 O ATOM 462 CB ASN A 565 -10.122 1.527 -3.687 1.00 0.00 C ATOM 463 CG ASN A 565 -8.680 1.142 -3.920 1.00 0.00 C ATOM 464 OD1 ASN A 565 -8.367 -0.011 -4.212 1.00 0.00 O ATOM 465 ND2 ASN A 565 -7.794 2.113 -3.770 1.00 0.00 N ATOM 0 H ASN A 565 -10.588 1.223 -6.142 1.00 0.00 H new ATOM 0 HA ASN A 565 -10.869 -0.478 -3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -10.312 2.496 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -10.292 1.645 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -6.800 1.921 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -8.105 3.054 -3.527 1.00 0.00 H new ATOM 472 N LEU A 566 -13.034 1.962 -4.422 1.00 0.00 N ATOM 473 CA LEU A 566 -14.331 2.450 -4.106 1.00 0.00 C ATOM 474 C LEU A 566 -15.362 1.357 -4.303 1.00 0.00 C ATOM 475 O LEU A 566 -16.228 1.145 -3.451 1.00 0.00 O ATOM 476 CB LEU A 566 -14.641 3.631 -5.011 1.00 0.00 C ATOM 477 CG LEU A 566 -16.010 4.157 -4.797 1.00 0.00 C ATOM 478 CD1 LEU A 566 -15.972 5.449 -4.011 1.00 0.00 C ATOM 479 CD2 LEU A 566 -16.762 4.317 -6.109 1.00 0.00 C ATOM 0 H LEU A 566 -12.553 2.492 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 566 -14.362 2.766 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -13.916 4.425 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -14.529 3.328 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 566 -16.560 3.425 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -16.988 5.817 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -15.508 5.271 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -15.392 6.192 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.761 4.705 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.224 5.012 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -16.840 3.349 -6.604 1.00 0.00 H new ATOM 491 N GLN A 567 -15.271 0.652 -5.425 1.00 0.00 N ATOM 492 CA GLN A 567 -16.235 -0.392 -5.701 1.00 0.00 C ATOM 493 C GLN A 567 -16.065 -1.615 -4.835 1.00 0.00 C ATOM 494 O GLN A 567 -17.060 -2.192 -4.412 1.00 0.00 O ATOM 495 CB GLN A 567 -16.253 -0.764 -7.184 1.00 0.00 C ATOM 496 CG GLN A 567 -17.334 -1.771 -7.546 1.00 0.00 C ATOM 497 CD GLN A 567 -17.459 -1.984 -9.042 1.00 0.00 C ATOM 498 OE1 GLN A 567 -16.800 -2.852 -9.613 1.00 0.00 O ATOM 499 NE2 GLN A 567 -18.307 -1.189 -9.683 1.00 0.00 N ATOM 0 H GLN A 567 -14.555 0.783 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 567 -17.206 0.030 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -16.398 0.140 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -15.281 -1.172 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -17.113 -2.724 -7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -18.290 -1.429 -7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -18.833 -0.483 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -18.433 -1.284 -10.691 1.00 0.00 H new ATOM 508 N ALA A 568 -14.845 -2.041 -4.572 1.00 0.00 N ATOM 509 CA ALA A 568 -14.681 -3.190 -3.713 1.00 0.00 C ATOM 510 C ALA A 568 -15.355 -2.890 -2.385 1.00 0.00 C ATOM 511 O ALA A 568 -15.898 -3.783 -1.724 1.00 0.00 O ATOM 512 CB ALA A 568 -13.214 -3.531 -3.520 1.00 0.00 C ATOM 0 H ALA A 568 -13.984 -1.625 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 568 -15.145 -4.062 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -13.125 -4.400 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -12.762 -3.754 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -12.700 -2.684 -3.066 1.00 0.00 H new ATOM 518 N LEU A 569 -15.368 -1.603 -2.018 1.00 0.00 N ATOM 519 CA LEU A 569 -15.967 -1.175 -0.789 1.00 0.00 C ATOM 520 C LEU A 569 -17.480 -1.238 -0.857 1.00 0.00 C ATOM 521 O LEU A 569 -18.142 -1.522 0.139 1.00 0.00 O ATOM 522 CB LEU A 569 -15.502 0.235 -0.546 1.00 0.00 C ATOM 523 CG LEU A 569 -14.303 0.364 0.374 1.00 0.00 C ATOM 524 CD1 LEU A 569 -14.701 0.030 1.802 1.00 0.00 C ATOM 525 CD2 LEU A 569 -13.172 -0.542 -0.071 1.00 0.00 C ATOM 0 H LEU A 569 -14.962 -0.849 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 569 -15.669 -1.833 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -15.256 0.691 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -16.328 0.807 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 569 -13.953 1.395 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -13.833 0.126 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -15.480 0.717 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -15.076 -0.993 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -12.326 -0.428 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -13.510 -1.578 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -12.866 -0.272 -1.082 1.00 0.00 H new ATOM 537 N ILE A 570 -18.030 -0.951 -2.031 1.00 0.00 N ATOM 538 CA ILE A 570 -19.469 -0.994 -2.213 1.00 0.00 C ATOM 539 C ILE A 570 -19.926 -2.446 -2.259 1.00 0.00 C ATOM 540 O ILE A 570 -20.946 -2.818 -1.677 1.00 0.00 O ATOM 541 CB ILE A 570 -19.903 -0.275 -3.509 1.00 0.00 C ATOM 542 CG1 ILE A 570 -19.566 1.218 -3.431 1.00 0.00 C ATOM 543 CG2 ILE A 570 -21.391 -0.479 -3.764 1.00 0.00 C ATOM 544 CD1 ILE A 570 -20.318 1.962 -2.344 1.00 0.00 C ATOM 0 H ILE A 570 -17.503 -0.688 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 570 -19.933 -0.477 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 570 -19.353 -0.708 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 570 -18.495 1.330 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 570 -19.786 1.681 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 570 -21.677 0.035 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 570 -21.600 -1.544 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 570 -21.962 -0.075 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 570 -20.025 3.012 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 570 -21.390 1.883 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 570 -20.080 1.527 -1.374 1.00 0.00 H new ATOM 556 N ALA A 571 -19.146 -3.257 -2.969 1.00 0.00 N ATOM 557 CA ALA A 571 -19.419 -4.677 -3.123 1.00 0.00 C ATOM 558 C ALA A 571 -19.496 -5.385 -1.778 1.00 0.00 C ATOM 559 O ALA A 571 -20.204 -6.383 -1.641 1.00 0.00 O ATOM 560 CB ALA A 571 -18.359 -5.324 -4.000 1.00 0.00 C ATOM 0 H ALA A 571 -18.305 -2.944 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 571 -20.392 -4.777 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 571 -18.575 -6.387 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 571 -18.362 -4.852 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 571 -17.379 -5.197 -3.540 1.00 0.00 H new ATOM 566 N THR A 572 -18.770 -4.879 -0.780 1.00 0.00 N ATOM 567 CA THR A 572 -18.807 -5.500 0.538 1.00 0.00 C ATOM 568 C THR A 572 -19.749 -4.739 1.469 1.00 0.00 C ATOM 569 O THR A 572 -20.471 -5.339 2.267 1.00 0.00 O ATOM 570 CB THR A 572 -17.407 -5.558 1.169 1.00 0.00 C ATOM 571 OG1 THR A 572 -16.798 -4.261 1.133 1.00 0.00 O ATOM 572 CG2 THR A 572 -16.526 -6.559 0.441 1.00 0.00 C ATOM 0 H THR A 572 -18.165 -4.062 -0.857 1.00 0.00 H new ATOM 0 HA THR A 572 -19.174 -6.518 0.405 1.00 0.00 H new ATOM 0 HB THR A 572 -17.513 -5.879 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 572 -16.491 -4.069 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 572 -15.540 -6.582 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 572 -16.977 -7.550 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 572 -16.427 -6.265 -0.604 1.00 0.00 H new ATOM 580 N GLY A 573 -19.734 -3.412 1.359 1.00 0.00 N ATOM 581 CA GLY A 573 -20.630 -2.587 2.153 1.00 0.00 C ATOM 582 C GLY A 573 -20.004 -2.097 3.447 1.00 0.00 C ATOM 583 O GLY A 573 -20.711 -1.842 4.422 1.00 0.00 O ATOM 0 H GLY A 573 -19.117 -2.893 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -20.943 -1.727 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -21.529 -3.158 2.385 1.00 0.00 H new ATOM 587 N GLY A 574 -18.680 -1.960 3.462 1.00 0.00 N ATOM 588 CA GLY A 574 -18.000 -1.497 4.662 1.00 0.00 C ATOM 589 C GLY A 574 -16.893 -2.437 5.101 1.00 0.00 C ATOM 590 O GLY A 574 -15.889 -2.005 5.663 1.00 0.00 O ATOM 0 H GLY A 574 -18.069 -2.160 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -17.581 -0.507 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -18.725 -1.392 5.469 1.00 0.00 H new ATOM 594 N ASP A 575 -17.094 -3.728 4.865 1.00 0.00 N ATOM 595 CA ASP A 575 -16.108 -4.736 5.204 1.00 0.00 C ATOM 596 C ASP A 575 -14.956 -4.625 4.222 1.00 0.00 C ATOM 597 O ASP A 575 -14.852 -5.389 3.264 1.00 0.00 O ATOM 598 CB ASP A 575 -16.742 -6.122 5.152 1.00 0.00 C ATOM 599 CG ASP A 575 -17.931 -6.248 6.085 1.00 0.00 C ATOM 600 OD1 ASP A 575 -19.040 -5.825 5.695 1.00 0.00 O ATOM 601 OD2 ASP A 575 -17.752 -6.771 7.205 1.00 0.00 O ATOM 0 H ASP A 575 -17.941 -4.100 4.436 1.00 0.00 H new ATOM 0 HA ASP A 575 -15.735 -4.580 6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -17.060 -6.335 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -15.995 -6.871 5.416 1.00 0.00 H new ATOM 606 N ILE A 576 -14.097 -3.653 4.482 1.00 0.00 N ATOM 607 CA ILE A 576 -12.972 -3.349 3.621 1.00 0.00 C ATOM 608 C ILE A 576 -11.994 -4.487 3.587 1.00 0.00 C ATOM 609 O ILE A 576 -11.432 -4.790 2.546 1.00 0.00 O ATOM 610 CB ILE A 576 -12.265 -2.066 4.084 1.00 0.00 C ATOM 611 CG1 ILE A 576 -13.284 -1.151 4.789 1.00 0.00 C ATOM 612 CG2 ILE A 576 -11.612 -1.380 2.893 1.00 0.00 C ATOM 613 CD1 ILE A 576 -12.932 0.324 4.779 1.00 0.00 C ATOM 0 H ILE A 576 -14.163 -3.050 5.302 1.00 0.00 H new ATOM 0 HA ILE A 576 -13.359 -3.196 2.614 1.00 0.00 H new ATOM 0 HB ILE A 576 -11.476 -2.305 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 576 -14.256 -1.281 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 576 -13.389 -1.478 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -11.112 -0.471 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -10.881 -2.051 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 576 -12.374 -1.126 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 576 -13.708 0.887 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 576 -11.977 0.474 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 576 -12.858 0.673 3.749 1.00 0.00 H new ATOM 625 N ASN A 577 -11.846 -5.132 4.726 1.00 0.00 N ATOM 626 CA ASN A 577 -10.963 -6.262 4.880 1.00 0.00 C ATOM 627 C ASN A 577 -11.484 -7.402 4.020 1.00 0.00 C ATOM 628 O ASN A 577 -10.727 -8.124 3.364 1.00 0.00 O ATOM 629 CB ASN A 577 -10.957 -6.652 6.350 1.00 0.00 C ATOM 630 CG ASN A 577 -9.879 -5.936 7.132 1.00 0.00 C ATOM 631 OD1 ASN A 577 -9.658 -4.671 6.799 1.00 0.00 O flip ATOM 632 ND2 ASN A 577 -9.261 -6.507 8.032 1.00 0.00 N flip ATOM 0 H ASN A 577 -12.344 -4.880 5.580 1.00 0.00 H new ATOM 0 HA ASN A 577 -9.947 -6.024 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 577 -11.930 -6.426 6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 577 -10.811 -7.729 6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 577 -9.466 -7.482 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 577 -8.545 -6.005 8.557 1.00 0.00 H new ATOM 639 N ALA A 578 -12.802 -7.529 4.036 1.00 0.00 N ATOM 640 CA ALA A 578 -13.487 -8.531 3.244 1.00 0.00 C ATOM 641 C ALA A 578 -13.300 -8.180 1.778 1.00 0.00 C ATOM 642 O ALA A 578 -13.194 -9.052 0.912 1.00 0.00 O ATOM 643 CB ALA A 578 -14.962 -8.597 3.608 1.00 0.00 C ATOM 0 H ALA A 578 -13.421 -6.943 4.596 1.00 0.00 H new ATOM 0 HA ALA A 578 -13.067 -9.517 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 578 -15.453 -9.356 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 578 -15.065 -8.854 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 578 -15.426 -7.628 3.423 1.00 0.00 H new ATOM 649 N ALA A 579 -13.242 -6.875 1.522 1.00 0.00 N ATOM 650 CA ALA A 579 -13.045 -6.356 0.181 1.00 0.00 C ATOM 651 C ALA A 579 -11.607 -6.562 -0.274 1.00 0.00 C ATOM 652 O ALA A 579 -11.366 -6.784 -1.445 1.00 0.00 O ATOM 653 CB ALA A 579 -13.409 -4.879 0.127 1.00 0.00 C ATOM 0 H ALA A 579 -13.330 -6.155 2.239 1.00 0.00 H new ATOM 0 HA ALA A 579 -13.700 -6.904 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 579 -13.256 -4.503 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 579 -14.455 -4.751 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 579 -12.777 -4.323 0.820 1.00 0.00 H new ATOM 659 N ILE A 580 -10.658 -6.488 0.658 1.00 0.00 N ATOM 660 CA ILE A 580 -9.255 -6.668 0.337 1.00 0.00 C ATOM 661 C ILE A 580 -9.008 -8.063 -0.223 1.00 0.00 C ATOM 662 O ILE A 580 -8.363 -8.236 -1.258 1.00 0.00 O ATOM 663 CB ILE A 580 -8.389 -6.500 1.596 1.00 0.00 C ATOM 664 CG1 ILE A 580 -8.772 -5.226 2.370 1.00 0.00 C ATOM 665 CG2 ILE A 580 -6.910 -6.511 1.225 1.00 0.00 C ATOM 666 CD1 ILE A 580 -7.687 -4.702 3.291 1.00 0.00 C ATOM 0 H ILE A 580 -10.843 -6.304 1.644 1.00 0.00 H new ATOM 0 HA ILE A 580 -8.988 -5.915 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 580 -8.576 -7.344 2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -9.033 -4.446 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -9.666 -5.429 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -6.308 -6.391 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -6.662 -7.458 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -6.701 -5.691 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -8.041 -3.803 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -7.441 -5.462 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -6.798 -4.463 2.707 1.00 0.00 H new ATOM 678 N GLU A 581 -9.538 -9.047 0.485 1.00 0.00 N ATOM 679 CA GLU A 581 -9.382 -10.453 0.123 1.00 0.00 C ATOM 680 C GLU A 581 -10.116 -10.792 -1.168 1.00 0.00 C ATOM 681 O GLU A 581 -9.638 -11.590 -1.973 1.00 0.00 O ATOM 682 CB GLU A 581 -9.883 -11.348 1.256 1.00 0.00 C ATOM 683 CG GLU A 581 -9.661 -12.832 1.006 1.00 0.00 C ATOM 684 CD GLU A 581 -10.158 -13.697 2.147 1.00 0.00 C ATOM 685 OE1 GLU A 581 -9.414 -13.860 3.136 1.00 0.00 O ATOM 686 OE2 GLU A 581 -11.292 -14.212 2.050 1.00 0.00 O ATOM 0 H GLU A 581 -10.090 -8.897 1.329 1.00 0.00 H new ATOM 0 HA GLU A 581 -8.319 -10.632 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -9.380 -11.065 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -10.948 -11.169 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -10.170 -13.122 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -8.598 -13.016 0.853 1.00 0.00 H new ATOM 693 N ARG A 582 -11.279 -10.181 -1.362 1.00 0.00 N ATOM 694 CA ARG A 582 -12.077 -10.441 -2.553 1.00 0.00 C ATOM 695 C ARG A 582 -11.507 -9.692 -3.758 1.00 0.00 C ATOM 696 O ARG A 582 -11.479 -10.209 -4.875 1.00 0.00 O ATOM 697 CB ARG A 582 -13.543 -10.066 -2.313 1.00 0.00 C ATOM 698 CG ARG A 582 -13.913 -8.658 -2.748 1.00 0.00 C ATOM 699 CD ARG A 582 -15.204 -8.666 -3.543 1.00 0.00 C ATOM 700 NE ARG A 582 -16.357 -9.004 -2.710 1.00 0.00 N ATOM 701 CZ ARG A 582 -17.601 -9.091 -3.172 1.00 0.00 C ATOM 702 NH1 ARG A 582 -17.854 -8.861 -4.454 1.00 0.00 N ATOM 703 NH2 ARG A 582 -18.593 -9.410 -2.352 1.00 0.00 N ATOM 0 H ARG A 582 -11.688 -9.507 -0.715 1.00 0.00 H new ATOM 0 HA ARG A 582 -12.034 -11.508 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 582 -14.178 -10.775 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 582 -13.763 -10.174 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 582 -14.023 -8.018 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 582 -13.110 -8.236 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 582 -15.358 -7.686 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 582 -15.123 -9.384 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 582 -16.198 -9.183 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 582 -17.093 -8.617 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 582 -18.809 -8.929 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 582 -18.402 -9.589 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 582 -19.547 -9.476 -2.707 1.00 0.00 H new ATOM 717 N LEU A 583 -11.052 -8.465 -3.509 1.00 0.00 N ATOM 718 CA LEU A 583 -10.508 -7.600 -4.514 1.00 0.00 C ATOM 719 C LEU A 583 -9.238 -8.189 -5.106 1.00 0.00 C ATOM 720 O LEU A 583 -9.012 -8.118 -6.314 1.00 0.00 O ATOM 721 CB LEU A 583 -10.244 -6.262 -3.837 1.00 0.00 C ATOM 722 CG LEU A 583 -9.254 -5.367 -4.531 1.00 0.00 C ATOM 723 CD1 LEU A 583 -9.711 -5.005 -5.939 1.00 0.00 C ATOM 724 CD2 LEU A 583 -9.005 -4.114 -3.712 1.00 0.00 C ATOM 0 H LEU A 583 -11.059 -8.050 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 583 -11.201 -7.476 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 583 -11.190 -5.727 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 583 -9.888 -6.451 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 583 -8.318 -5.919 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 583 -8.969 -4.358 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 583 -9.824 -5.914 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 583 -10.667 -4.484 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 583 -8.286 -3.478 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 583 -9.942 -3.572 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 583 -8.608 -4.391 -2.735 1.00 0.00 H new ATOM 736 N LEU A 584 -8.413 -8.772 -4.248 1.00 0.00 N ATOM 737 CA LEU A 584 -7.199 -9.386 -4.650 1.00 0.00 C ATOM 738 C LEU A 584 -7.509 -10.769 -5.214 1.00 0.00 C ATOM 739 O LEU A 584 -6.701 -11.369 -5.925 1.00 0.00 O ATOM 740 CB LEU A 584 -6.335 -9.449 -3.399 1.00 0.00 C ATOM 741 CG LEU A 584 -6.215 -10.817 -2.734 1.00 0.00 C ATOM 742 CD1 LEU A 584 -5.105 -11.641 -3.372 1.00 0.00 C ATOM 743 CD2 LEU A 584 -5.970 -10.663 -1.241 1.00 0.00 C ATOM 0 H LEU A 584 -8.589 -8.821 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 584 -6.676 -8.837 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -5.334 -9.103 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -6.737 -8.747 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 584 -7.156 -11.347 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -5.042 -12.611 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -5.322 -11.786 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -4.155 -11.117 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -5.887 -11.648 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -5.046 -10.108 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -6.802 -10.122 -0.790 1.00 0.00 H new