USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 337 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 Single : A 349 SER OG : rot 180:sc= 0 USER MOD Single : A 350 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0 USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00254) USER MOD Single : A 368 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 371 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.094) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 380 ASN : amide:sc= -3.58! C(o=-3.6!,f=-12!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -14.742 1.393 6.530 1.00 0.00 N ATOM 2 CA GLY A 345 -13.738 2.495 6.532 1.00 0.00 C ATOM 3 C GLY A 345 -12.333 1.903 6.515 1.00 0.00 C ATOM 4 O GLY A 345 -11.744 1.704 5.453 1.00 0.00 O ATOM 0 HA2 GLY A 345 -13.884 3.136 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -13.870 3.120 7.415 1.00 0.00 H new ATOM 8 N PRO A 346 -11.795 1.624 7.670 1.00 0.00 N ATOM 9 CA PRO A 346 -10.428 1.041 7.804 1.00 0.00 C ATOM 10 C PRO A 346 -10.212 -0.143 6.865 1.00 0.00 C ATOM 11 O PRO A 346 -11.057 -0.438 6.020 1.00 0.00 O ATOM 12 CB PRO A 346 -10.364 0.598 9.267 1.00 0.00 C ATOM 13 CG PRO A 346 -11.347 1.461 9.988 1.00 0.00 C ATOM 14 CD PRO A 346 -12.434 1.834 8.977 1.00 0.00 C ATOM 0 HA PRO A 346 -9.650 1.757 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -10.619 -0.457 9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -9.360 0.724 9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -11.776 0.931 10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -10.862 2.354 10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -13.319 1.208 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -12.757 2.868 9.102 1.00 0.00 H new ATOM 22 N LEU A 347 -9.077 -0.816 7.020 1.00 0.00 N ATOM 23 CA LEU A 347 -8.762 -1.965 6.180 1.00 0.00 C ATOM 24 C LEU A 347 -8.979 -3.265 6.948 1.00 0.00 C ATOM 25 O LEU A 347 -9.078 -3.263 8.175 1.00 0.00 O ATOM 26 CB LEU A 347 -7.307 -1.884 5.710 1.00 0.00 C ATOM 27 CG LEU A 347 -7.244 -1.152 4.370 1.00 0.00 C ATOM 28 CD1 LEU A 347 -6.046 -0.202 4.362 1.00 0.00 C ATOM 29 CD2 LEU A 347 -7.090 -2.172 3.238 1.00 0.00 C ATOM 0 H LEU A 347 -8.365 -0.588 7.714 1.00 0.00 H new ATOM 0 HA LEU A 347 -9.425 -1.953 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -6.703 -1.361 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -6.890 -2.886 5.609 1.00 0.00 H new ATOM 0 HG LEU A 347 -8.162 -0.582 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -6.002 0.320 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -6.153 0.525 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -5.128 -0.772 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -7.045 -1.650 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -6.172 -2.742 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -7.943 -2.851 3.241 1.00 0.00 H new ATOM 41 N GLY A 348 -9.051 -4.373 6.218 1.00 0.00 N ATOM 42 CA GLY A 348 -9.258 -5.675 6.841 1.00 0.00 C ATOM 43 C GLY A 348 -8.655 -6.787 5.990 1.00 0.00 C ATOM 44 O GLY A 348 -7.814 -6.536 5.128 1.00 0.00 O ATOM 0 H GLY A 348 -8.970 -4.396 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -8.805 -5.684 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -10.325 -5.853 6.976 1.00 0.00 H new ATOM 48 N SER A 349 -9.091 -8.018 6.241 1.00 0.00 N ATOM 49 CA SER A 349 -8.586 -9.163 5.491 1.00 0.00 C ATOM 50 C SER A 349 -8.612 -8.875 3.993 1.00 0.00 C ATOM 51 O SER A 349 -9.655 -8.541 3.433 1.00 0.00 O ATOM 52 CB SER A 349 -9.436 -10.397 5.789 1.00 0.00 C ATOM 53 OG SER A 349 -9.255 -11.354 4.754 1.00 0.00 O ATOM 0 H SER A 349 -9.786 -8.247 6.951 1.00 0.00 H new ATOM 0 HA SER A 349 -7.556 -9.349 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 349 -9.151 -10.825 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 349 -10.487 -10.119 5.863 1.00 0.00 H new ATOM 0 HG SER A 349 -9.798 -12.147 4.943 1.00 0.00 H new ATOM 59 N MET A 350 -7.455 -9.010 3.351 1.00 0.00 N ATOM 60 CA MET A 350 -7.357 -8.762 1.917 1.00 0.00 C ATOM 61 C MET A 350 -8.691 -9.042 1.232 1.00 0.00 C ATOM 62 O MET A 350 -8.960 -10.164 0.806 1.00 0.00 O ATOM 63 CB MET A 350 -6.271 -9.651 1.307 1.00 0.00 C ATOM 64 CG MET A 350 -5.184 -8.775 0.682 1.00 0.00 C ATOM 65 SD MET A 350 -5.815 -8.024 -0.839 1.00 0.00 S ATOM 66 CE MET A 350 -4.957 -6.438 -0.681 1.00 0.00 C ATOM 0 H MET A 350 -6.580 -9.287 3.796 1.00 0.00 H new ATOM 0 HA MET A 350 -7.097 -7.714 1.765 1.00 0.00 H new ATOM 0 HB2 MET A 350 -5.839 -10.293 2.074 1.00 0.00 H new ATOM 0 HB3 MET A 350 -6.705 -10.306 0.551 1.00 0.00 H new ATOM 0 HG2 MET A 350 -4.879 -7.999 1.384 1.00 0.00 H new ATOM 0 HG3 MET A 350 -4.300 -9.374 0.465 1.00 0.00 H new ATOM 0 HE1 MET A 350 -5.207 -5.803 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 350 -5.266 -5.947 0.242 1.00 0.00 H new ATOM 0 HE3 MET A 350 -3.880 -6.607 -0.659 1.00 0.00 H new ATOM 76 N PRO A 351 -9.522 -8.041 1.122 1.00 0.00 N ATOM 77 CA PRO A 351 -10.858 -8.168 0.475 1.00 0.00 C ATOM 78 C PRO A 351 -10.755 -8.298 -1.041 1.00 0.00 C ATOM 79 O PRO A 351 -9.657 -8.386 -1.592 1.00 0.00 O ATOM 80 CB PRO A 351 -11.574 -6.874 0.865 1.00 0.00 C ATOM 81 CG PRO A 351 -10.489 -5.881 1.126 1.00 0.00 C ATOM 82 CD PRO A 351 -9.271 -6.674 1.605 1.00 0.00 C ATOM 0 HA PRO A 351 -11.385 -9.066 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -12.233 -6.534 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -12.194 -7.020 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -10.254 -5.319 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -10.800 -5.157 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -8.345 -6.270 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -9.178 -6.645 2.691 1.00 0.00 H new ATOM 90 N LEU A 352 -11.903 -8.311 -1.710 1.00 0.00 N ATOM 91 CA LEU A 352 -11.928 -8.431 -3.164 1.00 0.00 C ATOM 92 C LEU A 352 -13.206 -7.820 -3.729 1.00 0.00 C ATOM 93 O LEU A 352 -13.786 -8.340 -4.681 1.00 0.00 O ATOM 94 CB LEU A 352 -11.843 -9.904 -3.567 1.00 0.00 C ATOM 95 CG LEU A 352 -10.379 -10.293 -3.773 1.00 0.00 C ATOM 96 CD1 LEU A 352 -9.868 -11.036 -2.538 1.00 0.00 C ATOM 97 CD2 LEU A 352 -10.263 -11.204 -4.999 1.00 0.00 C ATOM 0 H LEU A 352 -12.822 -8.241 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 352 -11.071 -7.893 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -12.291 -10.530 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -12.408 -10.074 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 352 -9.783 -9.394 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -8.824 -11.313 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -9.952 -10.390 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -10.463 -11.936 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -9.220 -11.483 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -10.860 -12.103 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -10.627 -10.676 -5.880 1.00 0.00 H new ATOM 109 N LEU A 353 -13.638 -6.711 -3.137 1.00 0.00 N ATOM 110 CA LEU A 353 -14.849 -6.037 -3.591 1.00 0.00 C ATOM 111 C LEU A 353 -14.966 -4.661 -2.948 1.00 0.00 C ATOM 112 O LEU A 353 -16.062 -4.115 -2.813 1.00 0.00 O ATOM 113 CB LEU A 353 -16.077 -6.873 -3.234 1.00 0.00 C ATOM 114 CG LEU A 353 -16.990 -6.987 -4.457 1.00 0.00 C ATOM 115 CD1 LEU A 353 -17.640 -8.371 -4.480 1.00 0.00 C ATOM 116 CD2 LEU A 353 -18.078 -5.915 -4.380 1.00 0.00 C ATOM 0 H LEU A 353 -13.172 -6.263 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 353 -14.793 -5.918 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -15.771 -7.865 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -16.616 -6.412 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 353 -16.403 -6.846 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -18.290 -8.453 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -16.865 -9.136 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -18.228 -8.512 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -18.729 -5.995 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -18.665 -6.057 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -17.616 -4.928 -4.362 1.00 0.00 H new ATOM 128 N GLU A 354 -13.828 -4.111 -2.552 1.00 0.00 N ATOM 129 CA GLU A 354 -13.801 -2.795 -1.922 1.00 0.00 C ATOM 130 C GLU A 354 -13.156 -1.770 -2.849 1.00 0.00 C ATOM 131 O GLU A 354 -12.150 -1.153 -2.502 1.00 0.00 O ATOM 132 CB GLU A 354 -13.019 -2.863 -0.609 1.00 0.00 C ATOM 133 CG GLU A 354 -13.734 -2.026 0.454 1.00 0.00 C ATOM 134 CD GLU A 354 -13.860 -0.582 -0.018 1.00 0.00 C ATOM 135 OE1 GLU A 354 -13.546 0.305 0.760 1.00 0.00 O ATOM 136 OE2 GLU A 354 -14.268 -0.382 -1.149 1.00 0.00 O ATOM 0 H GLU A 354 -12.914 -4.551 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 354 -14.827 -2.488 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -12.935 -3.898 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -12.005 -2.492 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -14.723 -2.441 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -13.180 -2.064 1.392 1.00 0.00 H new ATOM 143 N THR A 355 -13.743 -1.595 -4.028 1.00 0.00 N ATOM 144 CA THR A 355 -13.217 -0.641 -4.998 1.00 0.00 C ATOM 145 C THR A 355 -12.590 0.554 -4.287 1.00 0.00 C ATOM 146 O THR A 355 -13.217 1.178 -3.430 1.00 0.00 O ATOM 147 CB THR A 355 -14.339 -0.160 -5.919 1.00 0.00 C ATOM 148 OG1 THR A 355 -15.590 -0.601 -5.409 1.00 0.00 O ATOM 149 CG2 THR A 355 -14.129 -0.728 -7.323 1.00 0.00 C ATOM 0 H THR A 355 -14.577 -2.097 -4.334 1.00 0.00 H new ATOM 0 HA THR A 355 -12.450 -1.139 -5.591 1.00 0.00 H new ATOM 0 HB THR A 355 -14.329 0.929 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 355 -16.310 -0.292 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 355 -14.930 -0.384 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 355 -13.170 -0.388 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 355 -14.138 -1.817 -7.280 1.00 0.00 H new ATOM 157 N LEU A 356 -11.351 0.869 -4.650 1.00 0.00 N ATOM 158 CA LEU A 356 -10.649 1.991 -4.043 1.00 0.00 C ATOM 159 C LEU A 356 -10.488 3.127 -5.044 1.00 0.00 C ATOM 160 O LEU A 356 -11.186 3.182 -6.056 1.00 0.00 O ATOM 161 CB LEU A 356 -9.275 1.540 -3.555 1.00 0.00 C ATOM 162 CG LEU A 356 -9.390 0.168 -2.891 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.396 -0.798 -3.537 1.00 0.00 C ATOM 164 CD2 LEU A 356 -9.079 0.297 -1.399 1.00 0.00 C ATOM 0 H LEU A 356 -10.816 0.366 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.236 2.350 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.578 1.493 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -8.874 2.265 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.403 -0.214 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.479 -1.776 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -8.617 -0.890 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.383 -0.417 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -9.161 -0.681 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -8.066 0.679 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -9.788 0.985 -0.938 1.00 0.00 H new ATOM 176 N THR A 357 -9.561 4.031 -4.754 1.00 0.00 N ATOM 177 CA THR A 357 -9.310 5.166 -5.634 1.00 0.00 C ATOM 178 C THR A 357 -7.838 5.222 -6.028 1.00 0.00 C ATOM 179 O THR A 357 -7.088 4.274 -5.799 1.00 0.00 O ATOM 180 CB THR A 357 -9.703 6.468 -4.930 1.00 0.00 C ATOM 181 OG1 THR A 357 -8.901 6.637 -3.771 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.178 6.410 -4.532 1.00 0.00 C ATOM 0 H THR A 357 -8.973 4.001 -3.921 1.00 0.00 H new ATOM 0 HA THR A 357 -9.911 5.045 -6.535 1.00 0.00 H new ATOM 0 HB THR A 357 -9.546 7.309 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.150 7.471 -3.320 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.456 7.337 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.791 6.281 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.340 5.570 -3.857 1.00 0.00 H new ATOM 190 N ASP A 358 -7.432 6.341 -6.620 1.00 0.00 N ATOM 191 CA ASP A 358 -6.046 6.511 -7.041 1.00 0.00 C ATOM 192 C ASP A 358 -5.144 6.741 -5.836 1.00 0.00 C ATOM 193 O ASP A 358 -3.950 6.442 -5.872 1.00 0.00 O ATOM 194 CB ASP A 358 -5.933 7.693 -8.003 1.00 0.00 C ATOM 195 CG ASP A 358 -4.531 7.750 -8.599 1.00 0.00 C ATOM 196 OD1 ASP A 358 -3.892 8.781 -8.466 1.00 0.00 O ATOM 197 OD2 ASP A 358 -4.115 6.759 -9.180 1.00 0.00 O ATOM 0 H ASP A 358 -8.038 7.138 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.726 5.601 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.671 7.596 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -6.151 8.622 -7.477 1.00 0.00 H new ATOM 202 N ALA A 359 -5.725 7.277 -4.772 1.00 0.00 N ATOM 203 CA ALA A 359 -4.970 7.549 -3.554 1.00 0.00 C ATOM 204 C ALA A 359 -4.584 6.247 -2.860 1.00 0.00 C ATOM 205 O ALA A 359 -3.428 6.052 -2.484 1.00 0.00 O ATOM 206 CB ALA A 359 -5.805 8.408 -2.603 1.00 0.00 C ATOM 0 H ALA A 359 -6.712 7.532 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.061 8.086 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.234 8.607 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.054 9.351 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.723 7.879 -2.346 1.00 0.00 H new ATOM 212 N GLU A 360 -5.559 5.359 -2.694 1.00 0.00 N ATOM 213 CA GLU A 360 -5.310 4.078 -2.045 1.00 0.00 C ATOM 214 C GLU A 360 -4.340 3.238 -2.869 1.00 0.00 C ATOM 215 O GLU A 360 -3.396 2.657 -2.333 1.00 0.00 O ATOM 216 CB GLU A 360 -6.625 3.322 -1.870 1.00 0.00 C ATOM 217 CG GLU A 360 -7.287 3.749 -0.560 1.00 0.00 C ATOM 218 CD GLU A 360 -7.751 2.519 0.215 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.911 1.873 0.819 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.938 2.245 0.195 1.00 0.00 O ATOM 0 H GLU A 360 -6.522 5.502 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.866 4.265 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.289 3.527 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.441 2.248 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.584 4.324 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.136 4.400 -0.767 1.00 0.00 H new ATOM 227 N MET A 361 -4.580 3.176 -4.174 1.00 0.00 N ATOM 228 CA MET A 361 -3.721 2.404 -5.064 1.00 0.00 C ATOM 229 C MET A 361 -2.291 2.934 -5.021 1.00 0.00 C ATOM 230 O MET A 361 -1.341 2.170 -4.852 1.00 0.00 O ATOM 231 CB MET A 361 -4.252 2.477 -6.497 1.00 0.00 C ATOM 232 CG MET A 361 -5.458 1.548 -6.643 1.00 0.00 C ATOM 233 SD MET A 361 -5.321 0.619 -8.191 1.00 0.00 S ATOM 234 CE MET A 361 -4.157 -0.634 -7.603 1.00 0.00 C ATOM 0 H MET A 361 -5.357 3.648 -4.637 1.00 0.00 H new ATOM 0 HA MET A 361 -3.722 1.367 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.537 3.501 -6.739 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.471 2.189 -7.201 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.506 0.862 -5.798 1.00 0.00 H new ATOM 0 HG3 MET A 361 -6.381 2.128 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 361 -3.929 -1.327 -8.413 1.00 0.00 H new ATOM 0 HE2 MET A 361 -3.239 -0.150 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.601 -1.181 -6.771 1.00 0.00 H new ATOM 244 N GLU A 362 -2.147 4.247 -5.173 1.00 0.00 N ATOM 245 CA GLU A 362 -0.829 4.868 -5.150 1.00 0.00 C ATOM 246 C GLU A 362 -0.196 4.726 -3.769 1.00 0.00 C ATOM 247 O GLU A 362 1.027 4.657 -3.639 1.00 0.00 O ATOM 248 CB GLU A 362 -0.943 6.350 -5.511 1.00 0.00 C ATOM 249 CG GLU A 362 -0.892 7.193 -4.236 1.00 0.00 C ATOM 250 CD GLU A 362 -1.014 8.673 -4.582 1.00 0.00 C ATOM 251 OE1 GLU A 362 -0.075 9.207 -5.148 1.00 0.00 O ATOM 252 OE2 GLU A 362 -2.046 9.250 -4.279 1.00 0.00 O ATOM 0 H GLU A 362 -2.921 4.897 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.197 4.364 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -0.132 6.635 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -1.876 6.534 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.699 6.901 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 362 0.044 7.011 -3.707 1.00 0.00 H new ATOM 259 N LYS A 363 -1.036 4.685 -2.740 1.00 0.00 N ATOM 260 CA LYS A 363 -0.548 4.551 -1.372 1.00 0.00 C ATOM 261 C LYS A 363 0.112 3.191 -1.170 1.00 0.00 C ATOM 262 O LYS A 363 1.224 3.102 -0.650 1.00 0.00 O ATOM 263 CB LYS A 363 -1.707 4.709 -0.386 1.00 0.00 C ATOM 264 CG LYS A 363 -1.356 5.778 0.649 1.00 0.00 C ATOM 265 CD LYS A 363 -1.041 5.109 1.988 1.00 0.00 C ATOM 266 CE LYS A 363 -0.209 6.060 2.852 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.120 6.961 3.615 1.00 0.00 N ATOM 0 H LYS A 363 -2.051 4.742 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 363 0.191 5.332 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.616 4.989 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.908 3.760 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.498 6.359 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.187 6.474 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.966 4.848 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.496 4.180 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 363 0.417 5.491 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.460 6.648 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -0.556 7.608 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -1.699 7.513 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.741 6.391 4.225 1.00 0.00 H new ATOM 281 N LYS A 364 -0.581 2.135 -1.584 1.00 0.00 N ATOM 282 CA LYS A 364 -0.050 0.784 -1.442 1.00 0.00 C ATOM 283 C LYS A 364 1.145 0.577 -2.369 1.00 0.00 C ATOM 284 O LYS A 364 2.141 -0.035 -1.983 1.00 0.00 O ATOM 285 CB LYS A 364 -1.138 -0.240 -1.774 1.00 0.00 C ATOM 286 CG LYS A 364 -0.677 -1.116 -2.940 1.00 0.00 C ATOM 287 CD LYS A 364 -1.779 -2.118 -3.293 1.00 0.00 C ATOM 288 CE LYS A 364 -1.924 -2.202 -4.814 1.00 0.00 C ATOM 289 NZ LYS A 364 -0.751 -2.920 -5.388 1.00 0.00 N ATOM 0 H LYS A 364 -1.503 2.187 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 364 0.277 0.648 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.348 -0.859 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -2.065 0.270 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.444 -0.495 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.238 -1.645 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -1.537 -3.100 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.723 -1.810 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.845 -2.724 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.994 -1.201 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -0.342 -2.356 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -0.035 -3.063 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -1.056 -3.843 -5.758 1.00 0.00 H new ATOM 303 N ILE A 365 1.037 1.090 -3.590 1.00 0.00 N ATOM 304 CA ILE A 365 2.116 0.955 -4.561 1.00 0.00 C ATOM 305 C ILE A 365 3.359 1.702 -4.092 1.00 0.00 C ATOM 306 O ILE A 365 4.468 1.169 -4.133 1.00 0.00 O ATOM 307 CB ILE A 365 1.669 1.505 -5.915 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.605 0.582 -6.513 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.870 1.577 -6.859 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.503 0.827 -8.019 1.00 0.00 C ATOM 0 H ILE A 365 0.220 1.599 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 365 2.360 -0.103 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 365 1.252 2.503 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 365 0.862 -0.459 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.359 0.765 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.551 1.969 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.629 2.234 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.288 0.579 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -0.255 0.169 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.226 1.865 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.466 0.621 -8.487 1.00 0.00 H new ATOM 322 N ARG A 366 3.166 2.937 -3.644 1.00 0.00 N ATOM 323 CA ARG A 366 4.280 3.750 -3.169 1.00 0.00 C ATOM 324 C ARG A 366 4.911 3.120 -1.932 1.00 0.00 C ATOM 325 O ARG A 366 6.135 3.075 -1.803 1.00 0.00 O ATOM 326 CB ARG A 366 3.792 5.160 -2.832 1.00 0.00 C ATOM 327 CG ARG A 366 3.400 5.228 -1.356 1.00 0.00 C ATOM 328 CD ARG A 366 3.020 6.664 -0.992 1.00 0.00 C ATOM 329 NE ARG A 366 2.238 7.267 -2.066 1.00 0.00 N ATOM 330 CZ ARG A 366 2.826 7.940 -3.049 1.00 0.00 C ATOM 331 NH1 ARG A 366 4.124 8.072 -3.065 1.00 0.00 N ATOM 332 NH2 ARG A 366 2.104 8.472 -3.998 1.00 0.00 N ATOM 0 H ARG A 366 2.256 3.395 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 366 5.029 3.805 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.576 5.887 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 366 2.938 5.419 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.562 4.559 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 366 4.229 4.891 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.446 6.672 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.920 7.252 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 366 1.223 7.170 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.688 7.658 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 366 4.575 8.589 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 366 1.089 8.371 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 366 2.555 8.989 -4.753 1.00 0.00 H new ATOM 346 N ASP A 367 4.069 2.636 -1.026 1.00 0.00 N ATOM 347 CA ASP A 367 4.556 2.009 0.197 1.00 0.00 C ATOM 348 C ASP A 367 5.335 0.739 -0.126 1.00 0.00 C ATOM 349 O ASP A 367 6.421 0.511 0.409 1.00 0.00 O ATOM 350 CB ASP A 367 3.379 1.669 1.113 1.00 0.00 C ATOM 351 CG ASP A 367 3.862 1.536 2.554 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.400 0.492 2.883 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.685 2.480 3.308 1.00 0.00 O ATOM 0 H ASP A 367 3.053 2.665 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 367 5.220 2.710 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.618 2.447 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.913 0.738 0.790 1.00 0.00 H new ATOM 358 N GLN A 368 4.774 -0.087 -1.003 1.00 0.00 N ATOM 359 CA GLN A 368 5.426 -1.331 -1.391 1.00 0.00 C ATOM 360 C GLN A 368 6.684 -1.045 -2.202 1.00 0.00 C ATOM 361 O GLN A 368 7.626 -1.838 -2.212 1.00 0.00 O ATOM 362 CB GLN A 368 4.468 -2.192 -2.214 1.00 0.00 C ATOM 363 CG GLN A 368 3.310 -2.659 -1.330 1.00 0.00 C ATOM 364 CD GLN A 368 3.714 -3.916 -0.564 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.522 -3.847 0.362 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.196 -5.066 -0.898 1.00 0.00 N ATOM 0 H GLN A 368 3.875 0.081 -1.455 1.00 0.00 H new ATOM 0 HA GLN A 368 5.706 -1.869 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.086 -1.621 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.997 -3.053 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 368 3.034 -1.870 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.432 -2.863 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.527 -5.120 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.460 -5.911 -0.391 1.00 0.00 H new ATOM 375 N ASP A 369 6.689 0.096 -2.880 1.00 0.00 N ATOM 376 CA ASP A 369 7.834 0.485 -3.693 1.00 0.00 C ATOM 377 C ASP A 369 8.985 0.946 -2.806 1.00 0.00 C ATOM 378 O ASP A 369 10.149 0.663 -3.083 1.00 0.00 O ATOM 379 CB ASP A 369 7.439 1.614 -4.647 1.00 0.00 C ATOM 380 CG ASP A 369 6.624 1.055 -5.807 1.00 0.00 C ATOM 381 OD1 ASP A 369 6.788 -0.114 -6.113 1.00 0.00 O ATOM 382 OD2 ASP A 369 5.846 1.805 -6.375 1.00 0.00 O ATOM 0 H ASP A 369 5.918 0.764 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 369 8.157 -0.381 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.858 2.366 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.332 2.111 -5.025 1.00 0.00 H new ATOM 387 N ARG A 370 8.646 1.656 -1.736 1.00 0.00 N ATOM 388 CA ARG A 370 9.654 2.152 -0.809 1.00 0.00 C ATOM 389 C ARG A 370 10.200 1.012 0.045 1.00 0.00 C ATOM 390 O ARG A 370 11.391 0.970 0.354 1.00 0.00 O ATOM 391 CB ARG A 370 9.050 3.225 0.096 1.00 0.00 C ATOM 392 CG ARG A 370 9.298 4.607 -0.512 1.00 0.00 C ATOM 393 CD ARG A 370 9.994 5.501 0.517 1.00 0.00 C ATOM 394 NE ARG A 370 10.646 6.622 -0.146 1.00 0.00 N ATOM 395 CZ ARG A 370 11.896 6.527 -0.588 1.00 0.00 C ATOM 396 NH1 ARG A 370 12.561 5.416 -0.429 1.00 0.00 N ATOM 397 NH2 ARG A 370 12.459 7.545 -1.179 1.00 0.00 N ATOM 0 H ARG A 370 7.686 1.900 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 370 10.471 2.584 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.980 3.055 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.494 3.169 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.914 4.517 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.353 5.056 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.266 5.870 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 370 10.730 4.921 1.074 1.00 0.00 H new ATOM 0 HE ARG A 370 10.134 7.495 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 370 12.122 4.621 0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 370 13.520 5.343 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.940 8.414 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 370 13.418 7.471 -1.518 1.00 0.00 H new ATOM 411 N ASN A 371 9.321 0.088 0.421 1.00 0.00 N ATOM 412 CA ASN A 371 9.727 -1.050 1.237 1.00 0.00 C ATOM 413 C ASN A 371 10.590 -2.011 0.425 1.00 0.00 C ATOM 414 O ASN A 371 11.638 -2.462 0.889 1.00 0.00 O ATOM 415 CB ASN A 371 8.491 -1.785 1.760 1.00 0.00 C ATOM 416 CG ASN A 371 8.300 -1.491 3.243 1.00 0.00 C ATOM 417 OD1 ASN A 371 7.876 -2.366 4.001 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.589 -0.308 3.707 1.00 0.00 N ATOM 0 H ASN A 371 8.331 0.104 0.176 1.00 0.00 H new ATOM 0 HA ASN A 371 10.312 -0.680 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.608 -1.472 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.603 -2.858 1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.465 -0.105 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.940 0.415 3.078 1.00 0.00 H new ATOM 425 N THR A 372 10.144 -2.317 -0.789 1.00 0.00 N ATOM 426 CA THR A 372 10.887 -3.225 -1.655 1.00 0.00 C ATOM 427 C THR A 372 12.214 -2.599 -2.074 1.00 0.00 C ATOM 428 O THR A 372 13.257 -3.252 -2.041 1.00 0.00 O ATOM 429 CB THR A 372 10.061 -3.552 -2.901 1.00 0.00 C ATOM 430 OG1 THR A 372 9.580 -4.887 -2.810 1.00 0.00 O ATOM 431 CG2 THR A 372 10.933 -3.406 -4.149 1.00 0.00 C ATOM 0 H THR A 372 9.280 -1.954 -1.192 1.00 0.00 H new ATOM 0 HA THR A 372 11.088 -4.142 -1.101 1.00 0.00 H new ATOM 0 HB THR A 372 9.218 -2.864 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.049 -5.098 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.342 -3.639 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.301 -2.382 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.778 -4.092 -4.085 1.00 0.00 H new ATOM 439 N ARG A 373 12.167 -1.329 -2.467 1.00 0.00 N ATOM 440 CA ARG A 373 13.372 -0.626 -2.888 1.00 0.00 C ATOM 441 C ARG A 373 14.370 -0.534 -1.738 1.00 0.00 C ATOM 442 O ARG A 373 15.566 -0.752 -1.921 1.00 0.00 O ATOM 443 CB ARG A 373 13.013 0.782 -3.369 1.00 0.00 C ATOM 444 CG ARG A 373 12.646 0.736 -4.853 1.00 0.00 C ATOM 445 CD ARG A 373 13.892 1.018 -5.697 1.00 0.00 C ATOM 446 NE ARG A 373 13.842 0.258 -6.940 1.00 0.00 N ATOM 447 CZ ARG A 373 14.695 0.502 -7.930 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.596 1.436 -7.798 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.631 -0.191 -9.033 1.00 0.00 N ATOM 0 H ARG A 373 11.314 -0.771 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 373 13.829 -1.184 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.178 1.174 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.854 1.457 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.236 -0.241 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.872 1.473 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 373 13.958 2.084 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.788 0.752 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 373 13.140 -0.474 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 373 15.646 1.978 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 373 16.251 1.624 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.926 -0.921 -9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 373 15.286 -0.003 -9.792 1.00 0.00 H new ATOM 463 N ARG A 374 13.866 -0.210 -0.550 1.00 0.00 N ATOM 464 CA ARG A 374 14.723 -0.092 0.624 1.00 0.00 C ATOM 465 C ARG A 374 15.376 -1.433 0.947 1.00 0.00 C ATOM 466 O ARG A 374 16.577 -1.502 1.211 1.00 0.00 O ATOM 467 CB ARG A 374 13.900 0.379 1.825 1.00 0.00 C ATOM 468 CG ARG A 374 14.192 1.856 2.096 1.00 0.00 C ATOM 469 CD ARG A 374 15.643 2.014 2.553 1.00 0.00 C ATOM 470 NE ARG A 374 15.769 3.160 3.446 1.00 0.00 N ATOM 471 CZ ARG A 374 15.627 3.024 4.761 1.00 0.00 C ATOM 472 NH1 ARG A 374 15.369 1.852 5.273 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.744 4.065 5.540 1.00 0.00 N ATOM 0 H ARG A 374 12.878 -0.026 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 374 15.504 0.638 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.837 0.237 1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.144 -0.218 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.018 2.443 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.515 2.237 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.972 1.109 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.292 2.145 1.687 1.00 0.00 H new ATOM 0 HE ARG A 374 15.969 4.081 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 374 15.276 1.039 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 374 15.260 1.749 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 374 15.944 4.982 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.635 3.962 6.549 1.00 0.00 H new ATOM 487 N MET A 375 14.578 -2.495 0.923 1.00 0.00 N ATOM 488 CA MET A 375 15.090 -3.829 1.215 1.00 0.00 C ATOM 489 C MET A 375 15.919 -4.352 0.049 1.00 0.00 C ATOM 490 O MET A 375 16.739 -5.255 0.210 1.00 0.00 O ATOM 491 CB MET A 375 13.929 -4.788 1.489 1.00 0.00 C ATOM 492 CG MET A 375 13.209 -4.364 2.772 1.00 0.00 C ATOM 493 SD MET A 375 14.271 -4.703 4.197 1.00 0.00 S ATOM 494 CE MET A 375 12.972 -5.287 5.314 1.00 0.00 C ATOM 0 H MET A 375 13.582 -2.459 0.706 1.00 0.00 H new ATOM 0 HA MET A 375 15.725 -3.767 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.233 -4.783 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.301 -5.808 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 375 12.964 -3.303 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.267 -4.905 2.869 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.412 -5.557 6.274 1.00 0.00 H new ATOM 0 HE2 MET A 375 12.236 -4.496 5.461 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.485 -6.160 4.880 1.00 0.00 H new ATOM 504 N ARG A 376 15.698 -3.775 -1.126 1.00 0.00 N ATOM 505 CA ARG A 376 16.430 -4.187 -2.319 1.00 0.00 C ATOM 506 C ARG A 376 17.868 -3.681 -2.268 1.00 0.00 C ATOM 507 O ARG A 376 18.810 -4.438 -2.498 1.00 0.00 O ATOM 508 CB ARG A 376 15.739 -3.640 -3.571 1.00 0.00 C ATOM 509 CG ARG A 376 14.719 -4.661 -4.079 1.00 0.00 C ATOM 510 CD ARG A 376 15.169 -5.197 -5.439 1.00 0.00 C ATOM 511 NE ARG A 376 14.742 -6.582 -5.602 1.00 0.00 N ATOM 512 CZ ARG A 376 13.514 -6.879 -6.014 1.00 0.00 C ATOM 513 NH1 ARG A 376 12.666 -5.924 -6.281 1.00 0.00 N ATOM 514 NH2 ARG A 376 13.155 -8.126 -6.152 1.00 0.00 N ATOM 0 H ARG A 376 15.023 -3.026 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 376 16.441 -5.276 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.242 -2.697 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.478 -3.432 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 376 14.623 -5.480 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.736 -4.197 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 376 14.750 -4.584 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 376 16.254 -5.131 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 376 15.397 -7.336 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 376 12.946 -4.949 -6.174 1.00 0.00 H new ATOM 0 HH12 ARG A 376 11.724 -6.152 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 376 13.817 -8.873 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 376 12.212 -8.353 -6.468 1.00 0.00 H new ATOM 528 N ARG A 377 18.027 -2.397 -1.963 1.00 0.00 N ATOM 529 CA ARG A 377 19.356 -1.801 -1.885 1.00 0.00 C ATOM 530 C ARG A 377 20.154 -2.421 -0.744 1.00 0.00 C ATOM 531 O ARG A 377 21.383 -2.354 -0.721 1.00 0.00 O ATOM 532 CB ARG A 377 19.241 -0.290 -1.669 1.00 0.00 C ATOM 533 CG ARG A 377 18.898 -0.008 -0.206 1.00 0.00 C ATOM 534 CD ARG A 377 20.189 0.162 0.598 1.00 0.00 C ATOM 535 NE ARG A 377 20.162 1.419 1.336 1.00 0.00 N ATOM 536 CZ ARG A 377 19.257 1.642 2.283 1.00 0.00 C ATOM 537 NH1 ARG A 377 18.370 0.727 2.564 1.00 0.00 N ATOM 538 NH2 ARG A 377 19.254 2.776 2.929 1.00 0.00 N ATOM 0 H ARG A 377 17.260 -1.754 -1.767 1.00 0.00 H new ATOM 0 HA ARG A 377 19.875 -1.994 -2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 377 20.179 0.198 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.471 0.124 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 377 18.289 0.893 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 377 18.307 -0.827 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 377 20.307 -0.672 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 377 21.048 0.144 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 377 20.850 2.140 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 377 18.372 -0.158 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 377 17.675 0.897 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 377 19.946 3.491 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 377 18.559 2.947 3.656 1.00 0.00 H new ATOM 552 N LEU A 378 19.443 -3.024 0.199 1.00 0.00 N ATOM 553 CA LEU A 378 20.089 -3.656 1.344 1.00 0.00 C ATOM 554 C LEU A 378 19.701 -5.129 1.429 1.00 0.00 C ATOM 555 O LEU A 378 19.656 -5.705 2.516 1.00 0.00 O ATOM 556 CB LEU A 378 19.681 -2.943 2.634 1.00 0.00 C ATOM 557 CG LEU A 378 20.926 -2.640 3.467 1.00 0.00 C ATOM 558 CD1 LEU A 378 20.961 -1.150 3.812 1.00 0.00 C ATOM 559 CD2 LEU A 378 20.887 -3.461 4.756 1.00 0.00 C ATOM 0 H LEU A 378 18.425 -3.090 0.196 1.00 0.00 H new ATOM 0 HA LEU A 378 21.169 -3.582 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 378 19.154 -2.018 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 378 18.992 -3.567 3.204 1.00 0.00 H new ATOM 0 HG LEU A 378 21.817 -2.900 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 378 21.849 -0.935 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 378 20.988 -0.564 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 378 20.070 -0.888 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 378 21.774 -3.246 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 378 19.995 -3.200 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 378 20.863 -4.523 4.511 1.00 0.00 H new ATOM 571 N ALA A 379 19.422 -5.731 0.278 1.00 0.00 N ATOM 572 CA ALA A 379 19.041 -7.138 0.236 1.00 0.00 C ATOM 573 C ALA A 379 18.743 -7.570 -1.196 1.00 0.00 C ATOM 574 O ALA A 379 17.583 -7.687 -1.591 1.00 0.00 O ATOM 575 CB ALA A 379 17.804 -7.369 1.108 1.00 0.00 C ATOM 0 H ALA A 379 19.452 -5.271 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 379 19.872 -7.732 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 379 17.525 -8.422 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 379 18.027 -7.088 2.137 1.00 0.00 H new ATOM 0 HB3 ALA A 379 16.978 -6.762 0.736 1.00 0.00 H new ATOM 581 N ASN A 380 19.798 -7.806 -1.969 1.00 0.00 N ATOM 582 CA ASN A 380 19.638 -8.225 -3.357 1.00 0.00 C ATOM 583 C ASN A 380 20.997 -8.368 -4.033 1.00 0.00 C ATOM 584 O ASN A 380 21.688 -7.379 -4.275 1.00 0.00 O ATOM 585 CB ASN A 380 18.793 -7.199 -4.117 1.00 0.00 C ATOM 586 CG ASN A 380 18.063 -7.878 -5.270 1.00 0.00 C ATOM 587 OD1 ASN A 380 17.032 -7.387 -5.728 1.00 0.00 O ATOM 588 ND2 ASN A 380 18.538 -8.986 -5.770 1.00 0.00 N ATOM 0 H ASN A 380 20.766 -7.715 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 380 19.135 -9.192 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 380 18.073 -6.736 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 380 19.430 -6.401 -4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 380 18.054 -9.446 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 380 19.393 -9.392 -5.389 1.00 0.00 H new ATOM 595 N THR A 381 21.373 -9.606 -4.335 1.00 0.00 N ATOM 596 CA THR A 381 22.654 -9.868 -4.984 1.00 0.00 C ATOM 597 C THR A 381 22.476 -10.840 -6.146 1.00 0.00 C ATOM 598 O THR A 381 22.903 -11.994 -6.073 1.00 0.00 O ATOM 599 CB THR A 381 23.642 -10.452 -3.973 1.00 0.00 C ATOM 600 OG1 THR A 381 23.691 -9.618 -2.824 1.00 0.00 O ATOM 601 CG2 THR A 381 25.032 -10.538 -4.605 1.00 0.00 C ATOM 0 H THR A 381 20.815 -10.438 -4.143 1.00 0.00 H new ATOM 0 HA THR A 381 23.045 -8.926 -5.370 1.00 0.00 H new ATOM 0 HB THR A 381 23.317 -11.451 -3.682 1.00 0.00 H new ATOM 0 HG1 THR A 381 24.323 -9.992 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 381 25.735 -10.954 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 381 24.993 -11.180 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 381 25.361 -9.541 -4.898 1.00 0.00 H new ATOM 609 N ALA A 382 21.844 -10.368 -7.215 1.00 0.00 N ATOM 610 CA ALA A 382 21.615 -11.206 -8.387 1.00 0.00 C ATOM 611 C ALA A 382 22.511 -10.767 -9.542 1.00 0.00 C ATOM 612 O ALA A 382 22.134 -9.914 -10.345 1.00 0.00 O ATOM 613 CB ALA A 382 20.150 -11.118 -8.814 1.00 0.00 C ATOM 0 H ALA A 382 21.483 -9.417 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 382 21.855 -12.237 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 382 19.988 -11.747 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 382 19.512 -11.460 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 382 19.904 -10.085 -9.059 1.00 0.00 H new ATOM 619 N PRO A 383 23.683 -11.336 -9.632 1.00 0.00 N ATOM 620 CA PRO A 383 24.660 -11.004 -10.709 1.00 0.00 C ATOM 621 C PRO A 383 24.237 -11.569 -12.062 1.00 0.00 C ATOM 622 O PRO A 383 23.282 -12.341 -12.153 1.00 0.00 O ATOM 623 CB PRO A 383 25.959 -11.651 -10.228 1.00 0.00 C ATOM 624 CG PRO A 383 25.542 -12.767 -9.328 1.00 0.00 C ATOM 625 CD PRO A 383 24.202 -12.359 -8.713 1.00 0.00 C ATOM 0 HA PRO A 383 24.747 -9.929 -10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 383 26.546 -12.023 -11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 383 26.582 -10.931 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 383 25.444 -13.698 -9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 383 26.288 -12.938 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 383 23.523 -13.208 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 383 24.330 -11.962 -7.706 1.00 0.00 H new ATOM 633 N ALA A 384 24.955 -11.180 -13.111 1.00 0.00 N ATOM 634 CA ALA A 384 24.645 -11.653 -14.455 1.00 0.00 C ATOM 635 C ALA A 384 25.326 -10.776 -15.501 1.00 0.00 C ATOM 636 O ALA A 384 25.526 -9.581 -15.290 1.00 0.00 O ATOM 637 CB ALA A 384 23.132 -11.635 -14.679 1.00 0.00 C ATOM 0 H ALA A 384 25.750 -10.543 -13.057 1.00 0.00 H new ATOM 0 HA ALA A 384 25.015 -12.673 -14.555 1.00 0.00 H new ATOM 0 HB1 ALA A 384 22.909 -11.990 -15.685 1.00 0.00 H new ATOM 0 HB2 ALA A 384 22.648 -12.285 -13.950 1.00 0.00 H new ATOM 0 HB3 ALA A 384 22.759 -10.618 -14.562 1.00 0.00 H new ATOM 643 N TRP A 385 25.680 -11.380 -16.631 1.00 0.00 N ATOM 644 CA TRP A 385 26.338 -10.644 -17.705 1.00 0.00 C ATOM 645 C TRP A 385 27.597 -9.957 -17.189 1.00 0.00 C ATOM 646 O TRP A 385 28.634 -10.601 -17.163 1.00 0.00 O ATOM 647 CB TRP A 385 25.384 -9.599 -18.283 1.00 0.00 C ATOM 648 CG TRP A 385 24.392 -10.271 -19.177 1.00 0.00 C ATOM 649 CD1 TRP A 385 23.636 -11.339 -18.835 1.00 0.00 C ATOM 650 CD2 TRP A 385 24.034 -9.940 -20.551 1.00 0.00 C ATOM 651 NE1 TRP A 385 22.838 -11.685 -19.911 1.00 0.00 N ATOM 652 CE2 TRP A 385 23.047 -10.853 -20.992 1.00 0.00 C ATOM 653 CE3 TRP A 385 24.467 -8.946 -21.448 1.00 0.00 C ATOM 654 CZ2 TRP A 385 22.507 -10.783 -22.276 1.00 0.00 C ATOM 655 CZ3 TRP A 385 23.926 -8.873 -22.742 1.00 0.00 C ATOM 656 CH2 TRP A 385 22.948 -9.789 -23.156 1.00 0.00 C ATOM 0 H TRP A 385 25.524 -12.369 -16.826 1.00 0.00 H new ATOM 0 HA TRP A 385 26.618 -11.351 -18.486 1.00 0.00 H new ATOM 0 HB2 TRP A 385 24.868 -9.077 -17.477 1.00 0.00 H new ATOM 0 HB3 TRP A 385 25.944 -8.849 -18.842 1.00 0.00 H new ATOM 0 HD1 TRP A 385 23.653 -11.840 -17.878 1.00 0.00 H new ATOM 0 HE1 TRP A 385 22.176 -12.461 -19.906 1.00 0.00 H new ATOM 0 HE3 TRP A 385 25.220 -8.235 -21.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 21.754 -11.491 -22.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 24.265 -8.106 -23.423 1.00 0.00 H new ATOM 0 HH2 TRP A 385 22.536 -9.727 -24.152 1.00 0.00 H new TER 667 TRP A 385