USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=9 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 Set 1.1: A 372 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 375 MET CE :methyl 152:sc= -0.166 (180deg=-1.06) 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= 0.0996 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+ -138:sc= -0.52 (180deg=-1.29!) USER MOD Single : A 364 LYS NZ :NH3+ -147:sc= -0.358 (180deg=-1.55!) USER MOD Single : A 368 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.1!) USER MOD Single : A 371 ASN :FLIP amide:sc= -0.107 F(o=-0.84,f=-0.11) USER MOD Single : A 380 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 THR OG1 : rot 180:sc= -1.35! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -13.694 -20.205 2.312 1.00 0.00 N ATOM 2 CA GLY A 345 -14.794 -19.250 1.997 1.00 0.00 C ATOM 3 C GLY A 345 -14.642 -18.749 0.565 1.00 0.00 C ATOM 4 O GLY A 345 -13.535 -18.453 0.114 1.00 0.00 O ATOM 0 HA2 GLY A 345 -15.760 -19.739 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -14.770 -18.410 2.691 1.00 0.00 H new ATOM 8 N PRO A 346 -15.730 -18.653 -0.148 1.00 0.00 N ATOM 9 CA PRO A 346 -15.730 -18.178 -1.561 1.00 0.00 C ATOM 10 C PRO A 346 -14.915 -16.900 -1.739 1.00 0.00 C ATOM 11 O PRO A 346 -14.503 -16.564 -2.849 1.00 0.00 O ATOM 12 CB PRO A 346 -17.210 -17.929 -1.861 1.00 0.00 C ATOM 13 CG PRO A 346 -17.961 -18.815 -0.921 1.00 0.00 C ATOM 14 CD PRO A 346 -17.083 -18.987 0.320 1.00 0.00 C ATOM 0 HA PRO A 346 -15.271 -18.901 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -17.471 -16.882 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -17.446 -18.167 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -18.922 -18.373 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -18.171 -19.780 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -17.400 -18.326 1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -17.132 -20.006 0.704 1.00 0.00 H new ATOM 22 N LEU A 347 -14.686 -16.192 -0.638 1.00 0.00 N ATOM 23 CA LEU A 347 -13.919 -14.953 -0.683 1.00 0.00 C ATOM 24 C LEU A 347 -12.478 -15.200 -0.252 1.00 0.00 C ATOM 25 O LEU A 347 -12.138 -16.282 0.226 1.00 0.00 O ATOM 26 CB LEU A 347 -14.558 -13.909 0.235 1.00 0.00 C ATOM 27 CG LEU A 347 -14.402 -14.347 1.692 1.00 0.00 C ATOM 28 CD1 LEU A 347 -14.128 -13.122 2.567 1.00 0.00 C ATOM 29 CD2 LEU A 347 -15.690 -15.028 2.160 1.00 0.00 C ATOM 0 H LEU A 347 -15.018 -16.453 0.290 1.00 0.00 H new ATOM 0 HA LEU A 347 -13.921 -14.583 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -14.086 -12.938 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -15.614 -13.792 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 347 -13.570 -15.046 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -14.017 -13.434 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -13.211 -12.635 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -14.960 -12.423 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -15.580 -15.341 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -16.522 -14.329 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -15.887 -15.901 1.537 1.00 0.00 H new ATOM 41 N GLY A 348 -11.633 -14.188 -0.423 1.00 0.00 N ATOM 42 CA GLY A 348 -10.228 -14.306 -0.047 1.00 0.00 C ATOM 43 C GLY A 348 -9.340 -13.530 -1.013 1.00 0.00 C ATOM 44 O GLY A 348 -9.691 -12.434 -1.451 1.00 0.00 O ATOM 0 H GLY A 348 -11.894 -13.284 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -10.086 -13.930 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -9.936 -15.356 -0.041 1.00 0.00 H new ATOM 48 N SER A 349 -8.187 -14.105 -1.340 1.00 0.00 N ATOM 49 CA SER A 349 -7.255 -13.459 -2.255 1.00 0.00 C ATOM 50 C SER A 349 -7.241 -14.177 -3.602 1.00 0.00 C ATOM 51 O SER A 349 -6.545 -15.178 -3.775 1.00 0.00 O ATOM 52 CB SER A 349 -5.848 -13.465 -1.658 1.00 0.00 C ATOM 53 OG SER A 349 -5.724 -12.388 -0.738 1.00 0.00 O ATOM 0 H SER A 349 -7.878 -15.011 -0.987 1.00 0.00 H new ATOM 0 HA SER A 349 -7.580 -12.430 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 349 -5.658 -14.413 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 349 -5.104 -13.370 -2.449 1.00 0.00 H new ATOM 0 HG SER A 349 -4.823 -12.390 -0.352 1.00 0.00 H new ATOM 59 N MET A 350 -8.014 -13.658 -4.551 1.00 0.00 N ATOM 60 CA MET A 350 -8.081 -14.258 -5.878 1.00 0.00 C ATOM 61 C MET A 350 -8.811 -13.333 -6.848 1.00 0.00 C ATOM 62 O MET A 350 -8.242 -12.886 -7.844 1.00 0.00 O ATOM 63 CB MET A 350 -8.809 -15.602 -5.808 1.00 0.00 C ATOM 64 CG MET A 350 -7.844 -16.726 -6.189 1.00 0.00 C ATOM 65 SD MET A 350 -7.748 -16.851 -7.994 1.00 0.00 S ATOM 66 CE MET A 350 -5.943 -16.895 -8.122 1.00 0.00 C ATOM 0 H MET A 350 -8.598 -12.831 -4.427 1.00 0.00 H new ATOM 0 HA MET A 350 -7.064 -14.414 -6.237 1.00 0.00 H new ATOM 0 HB2 MET A 350 -9.196 -15.766 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 350 -9.665 -15.599 -6.482 1.00 0.00 H new ATOM 0 HG2 MET A 350 -6.856 -16.528 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 350 -8.184 -17.671 -5.766 1.00 0.00 H new ATOM 0 HE1 MET A 350 -5.654 -16.972 -9.170 1.00 0.00 H new ATOM 0 HE2 MET A 350 -5.526 -15.982 -7.697 1.00 0.00 H new ATOM 0 HE3 MET A 350 -5.560 -17.757 -7.576 1.00 0.00 H new ATOM 76 N PRO A 351 -10.052 -13.043 -6.569 1.00 0.00 N ATOM 77 CA PRO A 351 -10.886 -12.152 -7.426 1.00 0.00 C ATOM 78 C PRO A 351 -10.473 -10.688 -7.306 1.00 0.00 C ATOM 79 O PRO A 351 -9.776 -10.304 -6.366 1.00 0.00 O ATOM 80 CB PRO A 351 -12.305 -12.366 -6.897 1.00 0.00 C ATOM 81 CG PRO A 351 -12.141 -12.812 -5.482 1.00 0.00 C ATOM 82 CD PRO A 351 -10.796 -13.536 -5.400 1.00 0.00 C ATOM 0 HA PRO A 351 -10.782 -12.387 -8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -12.888 -11.446 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -12.834 -13.115 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -12.163 -11.960 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -12.955 -13.475 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -10.276 -13.306 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -10.923 -14.618 -5.435 1.00 0.00 H new ATOM 90 N LEU A 352 -10.908 -9.875 -8.262 1.00 0.00 N ATOM 91 CA LEU A 352 -10.578 -8.455 -8.255 1.00 0.00 C ATOM 92 C LEU A 352 -11.795 -7.624 -7.859 1.00 0.00 C ATOM 93 O LEU A 352 -12.367 -6.912 -8.684 1.00 0.00 O ATOM 94 CB LEU A 352 -10.091 -8.022 -9.639 1.00 0.00 C ATOM 95 CG LEU A 352 -9.001 -6.961 -9.489 1.00 0.00 C ATOM 96 CD1 LEU A 352 -9.460 -5.893 -8.495 1.00 0.00 C ATOM 97 CD2 LEU A 352 -7.719 -7.619 -8.971 1.00 0.00 C ATOM 0 H LEU A 352 -11.487 -10.173 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 352 -9.786 -8.291 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -9.703 -8.882 -10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -10.923 -7.624 -10.220 1.00 0.00 H new ATOM 0 HG LEU A 352 -8.810 -6.498 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -8.682 -5.137 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -10.374 -5.425 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -9.651 -6.355 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -6.940 -6.864 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -7.913 -8.081 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -7.390 -8.381 -9.677 1.00 0.00 H new ATOM 109 N LEU A 353 -12.186 -7.721 -6.592 1.00 0.00 N ATOM 110 CA LEU A 353 -13.337 -6.973 -6.099 1.00 0.00 C ATOM 111 C LEU A 353 -12.885 -5.821 -5.212 1.00 0.00 C ATOM 112 O LEU A 353 -13.630 -5.353 -4.351 1.00 0.00 O ATOM 113 CB LEU A 353 -14.256 -7.897 -5.304 1.00 0.00 C ATOM 114 CG LEU A 353 -15.685 -7.780 -5.837 1.00 0.00 C ATOM 115 CD1 LEU A 353 -15.919 -8.845 -6.909 1.00 0.00 C ATOM 116 CD2 LEU A 353 -16.674 -7.989 -4.687 1.00 0.00 C ATOM 0 H LEU A 353 -11.727 -8.305 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 353 -13.878 -6.569 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -13.910 -8.928 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -14.228 -7.633 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 353 -15.832 -6.791 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -16.937 -8.761 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -15.214 -8.699 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -15.773 -9.835 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -17.693 -7.906 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -16.526 -8.979 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -16.508 -7.231 -3.922 1.00 0.00 H new ATOM 128 N GLU A 354 -11.659 -5.370 -5.433 1.00 0.00 N ATOM 129 CA GLU A 354 -11.103 -4.269 -4.653 1.00 0.00 C ATOM 130 C GLU A 354 -11.289 -2.945 -5.389 1.00 0.00 C ATOM 131 O GLU A 354 -10.378 -2.470 -6.068 1.00 0.00 O ATOM 132 CB GLU A 354 -9.615 -4.509 -4.396 1.00 0.00 C ATOM 133 CG GLU A 354 -9.360 -6.008 -4.229 1.00 0.00 C ATOM 134 CD GLU A 354 -7.912 -6.250 -3.820 1.00 0.00 C ATOM 135 OE1 GLU A 354 -7.342 -7.226 -4.277 1.00 0.00 O ATOM 136 OE2 GLU A 354 -7.393 -5.453 -3.055 1.00 0.00 O ATOM 0 H GLU A 354 -11.031 -5.746 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 354 -11.631 -4.220 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -9.025 -4.119 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -9.299 -3.974 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -10.032 -6.417 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -9.574 -6.528 -5.163 1.00 0.00 H new ATOM 143 N THR A 355 -12.471 -2.357 -5.249 1.00 0.00 N ATOM 144 CA THR A 355 -12.764 -1.087 -5.905 1.00 0.00 C ATOM 145 C THR A 355 -12.222 0.079 -5.083 1.00 0.00 C ATOM 146 O THR A 355 -12.915 0.615 -4.219 1.00 0.00 O ATOM 147 CB THR A 355 -14.274 -0.929 -6.086 1.00 0.00 C ATOM 148 OG1 THR A 355 -14.935 -2.073 -5.564 1.00 0.00 O ATOM 149 CG2 THR A 355 -14.600 -0.785 -7.574 1.00 0.00 C ATOM 0 H THR A 355 -13.237 -2.735 -4.692 1.00 0.00 H new ATOM 0 HA THR A 355 -12.279 -1.084 -6.881 1.00 0.00 H new ATOM 0 HB THR A 355 -14.612 -0.039 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 355 -15.903 -1.972 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 355 -15.677 -0.672 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 355 -14.094 0.093 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 355 -14.262 -1.673 -8.108 1.00 0.00 H new ATOM 157 N LEU A 356 -10.981 0.465 -5.360 1.00 0.00 N ATOM 158 CA LEU A 356 -10.358 1.568 -4.642 1.00 0.00 C ATOM 159 C LEU A 356 -10.204 2.780 -5.551 1.00 0.00 C ATOM 160 O LEU A 356 -10.862 2.881 -6.587 1.00 0.00 O ATOM 161 CB LEU A 356 -8.986 1.140 -4.125 1.00 0.00 C ATOM 162 CG LEU A 356 -9.068 -0.283 -3.569 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.301 -1.235 -4.488 1.00 0.00 C ATOM 164 CD2 LEU A 356 -8.453 -0.319 -2.170 1.00 0.00 C ATOM 0 H LEU A 356 -10.391 0.033 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 356 -10.997 1.838 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.253 1.185 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -8.649 1.826 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.112 -0.593 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.359 -2.249 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -8.739 -1.209 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.257 -0.926 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -8.511 -1.332 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -7.409 -0.009 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -9.000 0.359 -1.515 1.00 0.00 H new ATOM 176 N THR A 357 -9.333 3.698 -5.153 1.00 0.00 N ATOM 177 CA THR A 357 -9.095 4.904 -5.936 1.00 0.00 C ATOM 178 C THR A 357 -7.609 5.065 -6.235 1.00 0.00 C ATOM 179 O THR A 357 -6.821 4.140 -6.032 1.00 0.00 O ATOM 180 CB THR A 357 -9.600 6.130 -5.172 1.00 0.00 C ATOM 181 OG1 THR A 357 -8.928 6.217 -3.923 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.105 6.003 -4.936 1.00 0.00 C ATOM 0 H THR A 357 -8.782 3.632 -4.297 1.00 0.00 H new ATOM 0 HA THR A 357 -9.635 4.815 -6.879 1.00 0.00 H new ATOM 0 HB THR A 357 -9.402 7.029 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.249 7.003 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.463 6.877 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.619 5.937 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.307 5.105 -4.353 1.00 0.00 H new ATOM 190 N ASP A 358 -7.232 6.243 -6.720 1.00 0.00 N ATOM 191 CA ASP A 358 -5.836 6.514 -7.043 1.00 0.00 C ATOM 192 C ASP A 358 -5.017 6.699 -5.773 1.00 0.00 C ATOM 193 O ASP A 358 -3.809 6.464 -5.758 1.00 0.00 O ATOM 194 CB ASP A 358 -5.735 7.773 -7.908 1.00 0.00 C ATOM 195 CG ASP A 358 -5.783 7.396 -9.385 1.00 0.00 C ATOM 196 OD1 ASP A 358 -4.753 7.482 -10.032 1.00 0.00 O ATOM 197 OD2 ASP A 358 -6.851 7.029 -9.848 1.00 0.00 O ATOM 0 H ASP A 358 -7.868 7.020 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.439 5.662 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.553 8.454 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -4.807 8.301 -7.689 1.00 0.00 H new ATOM 202 N ALA A 359 -5.687 7.122 -4.709 1.00 0.00 N ATOM 203 CA ALA A 359 -5.017 7.339 -3.432 1.00 0.00 C ATOM 204 C ALA A 359 -4.609 6.008 -2.807 1.00 0.00 C ATOM 205 O ALA A 359 -3.469 5.837 -2.375 1.00 0.00 O ATOM 206 CB ALA A 359 -5.947 8.090 -2.476 1.00 0.00 C ATOM 0 H ALA A 359 -6.687 7.321 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.121 7.933 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.440 8.248 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.214 9.054 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.851 7.503 -2.312 1.00 0.00 H new ATOM 212 N GLU A 360 -5.548 5.068 -2.764 1.00 0.00 N ATOM 213 CA GLU A 360 -5.275 3.757 -2.190 1.00 0.00 C ATOM 214 C GLU A 360 -4.204 3.028 -2.997 1.00 0.00 C ATOM 215 O GLU A 360 -3.270 2.458 -2.433 1.00 0.00 O ATOM 216 CB GLU A 360 -6.554 2.924 -2.168 1.00 0.00 C ATOM 217 CG GLU A 360 -7.325 3.210 -0.878 1.00 0.00 C ATOM 218 CD GLU A 360 -7.763 1.899 -0.231 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.947 1.756 0.029 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.909 1.059 -0.006 1.00 0.00 O ATOM 0 H GLU A 360 -6.497 5.189 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.912 3.895 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.171 3.163 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.311 1.863 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.698 3.774 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.197 3.827 -1.095 1.00 0.00 H new ATOM 227 N MET A 361 -4.347 3.054 -4.318 1.00 0.00 N ATOM 228 CA MET A 361 -3.385 2.394 -5.192 1.00 0.00 C ATOM 229 C MET A 361 -1.998 3.004 -5.020 1.00 0.00 C ATOM 230 O MET A 361 -1.013 2.290 -4.832 1.00 0.00 O ATOM 231 CB MET A 361 -3.825 2.529 -6.651 1.00 0.00 C ATOM 232 CG MET A 361 -4.978 1.562 -6.928 1.00 0.00 C ATOM 233 SD MET A 361 -4.310 -0.051 -7.409 1.00 0.00 S ATOM 234 CE MET A 361 -4.703 0.058 -9.172 1.00 0.00 C ATOM 0 H MET A 361 -5.113 3.521 -4.803 1.00 0.00 H new ATOM 0 HA MET A 361 -3.342 1.339 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.138 3.553 -6.854 1.00 0.00 H new ATOM 0 HB3 MET A 361 -2.988 2.314 -7.316 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.602 1.459 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.614 1.955 -7.721 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.372 -0.850 -9.675 1.00 0.00 H new ATOM 0 HE2 MET A 361 -5.780 0.171 -9.298 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.194 0.919 -9.606 1.00 0.00 H new ATOM 244 N GLU A 362 -1.929 4.330 -5.085 1.00 0.00 N ATOM 245 CA GLU A 362 -0.657 5.027 -4.934 1.00 0.00 C ATOM 246 C GLU A 362 -0.095 4.816 -3.530 1.00 0.00 C ATOM 247 O GLU A 362 1.119 4.810 -3.332 1.00 0.00 O ATOM 248 CB GLU A 362 -0.846 6.522 -5.190 1.00 0.00 C ATOM 249 CG GLU A 362 -1.199 6.748 -6.661 1.00 0.00 C ATOM 250 CD GLU A 362 -1.608 8.200 -6.883 1.00 0.00 C ATOM 251 OE1 GLU A 362 -1.874 8.552 -8.020 1.00 0.00 O ATOM 252 OE2 GLU A 362 -1.649 8.938 -5.913 1.00 0.00 O ATOM 0 H GLU A 362 -2.732 4.939 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 362 0.047 4.621 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.637 6.914 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.066 7.063 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.344 6.502 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.012 6.084 -6.954 1.00 0.00 H new ATOM 259 N LYS A 363 -0.988 4.642 -2.562 1.00 0.00 N ATOM 260 CA LYS A 363 -0.570 4.432 -1.181 1.00 0.00 C ATOM 261 C LYS A 363 0.141 3.090 -1.035 1.00 0.00 C ATOM 262 O LYS A 363 1.228 3.011 -0.465 1.00 0.00 O ATOM 263 CB LYS A 363 -1.788 4.470 -0.256 1.00 0.00 C ATOM 264 CG LYS A 363 -1.548 5.484 0.864 1.00 0.00 C ATOM 265 CD LYS A 363 -0.901 4.782 2.059 1.00 0.00 C ATOM 266 CE LYS A 363 -1.892 3.784 2.663 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.470 2.397 2.324 1.00 0.00 N ATOM 0 H LYS A 363 -1.998 4.642 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 363 0.121 5.228 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.679 4.742 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.968 3.481 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.904 6.288 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.491 5.940 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 363 0.005 4.265 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.605 5.516 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.935 3.908 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.895 3.974 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.304 1.835 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.803 2.422 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.007 1.964 3.148 1.00 0.00 H new ATOM 281 N LYS A 364 -0.482 2.037 -1.555 1.00 0.00 N ATOM 282 CA LYS A 364 0.100 0.702 -1.477 1.00 0.00 C ATOM 283 C LYS A 364 1.290 0.582 -2.424 1.00 0.00 C ATOM 284 O LYS A 364 2.342 0.063 -2.052 1.00 0.00 O ATOM 285 CB LYS A 364 -0.952 -0.349 -1.838 1.00 0.00 C ATOM 286 CG LYS A 364 -0.543 -1.055 -3.132 1.00 0.00 C ATOM 287 CD LYS A 364 -1.505 -2.212 -3.410 1.00 0.00 C ATOM 288 CE LYS A 364 -1.024 -3.465 -2.675 1.00 0.00 C ATOM 289 NZ LYS A 364 0.344 -3.821 -3.146 1.00 0.00 N ATOM 0 H LYS A 364 -1.383 2.081 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 364 0.444 0.534 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.049 -1.074 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.927 0.123 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.556 -0.350 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.477 -1.429 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.511 -1.949 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -1.559 -2.404 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -1.016 -3.288 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.710 -4.292 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 0.459 -4.854 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 0.478 -3.474 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 1.051 -3.383 -2.521 1.00 0.00 H new ATOM 303 N ILE A 365 1.114 1.065 -3.649 1.00 0.00 N ATOM 304 CA ILE A 365 2.182 1.007 -4.641 1.00 0.00 C ATOM 305 C ILE A 365 3.405 1.777 -4.160 1.00 0.00 C ATOM 306 O ILE A 365 4.529 1.278 -4.219 1.00 0.00 O ATOM 307 CB ILE A 365 1.695 1.595 -5.964 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.782 0.586 -6.666 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.896 1.902 -6.861 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.846 0.803 -8.178 1.00 0.00 C ATOM 0 H ILE A 365 0.250 1.497 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 365 2.460 -0.037 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 365 1.142 2.514 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.090 -0.430 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.243 0.702 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.547 2.321 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.548 2.620 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.450 0.983 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.196 0.084 -8.677 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.517 1.815 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.871 0.665 -8.522 1.00 0.00 H new ATOM 322 N ARG A 366 3.178 2.995 -3.681 1.00 0.00 N ATOM 323 CA ARG A 366 4.269 3.828 -3.188 1.00 0.00 C ATOM 324 C ARG A 366 4.893 3.212 -1.942 1.00 0.00 C ATOM 325 O ARG A 366 6.115 3.170 -1.801 1.00 0.00 O ATOM 326 CB ARG A 366 3.749 5.229 -2.862 1.00 0.00 C ATOM 327 CG ARG A 366 3.065 5.215 -1.494 1.00 0.00 C ATOM 328 CD ARG A 366 2.584 6.626 -1.150 1.00 0.00 C ATOM 329 NE ARG A 366 1.531 7.039 -2.070 1.00 0.00 N ATOM 330 CZ ARG A 366 0.841 8.158 -1.869 1.00 0.00 C ATOM 331 NH1 ARG A 366 1.102 8.906 -0.833 1.00 0.00 N ATOM 332 NH2 ARG A 366 -0.096 8.506 -2.708 1.00 0.00 N ATOM 0 H ARG A 366 2.255 3.425 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 366 5.030 3.895 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.573 5.943 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 366 3.046 5.555 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.222 4.524 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 366 3.759 4.860 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 366 2.212 6.651 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.418 7.325 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 366 1.320 6.459 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 366 1.835 8.633 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 366 0.574 9.764 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 366 -0.299 7.920 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 366 -0.625 9.364 -2.554 1.00 0.00 H new ATOM 346 N ASP A 367 4.045 2.732 -1.038 1.00 0.00 N ATOM 347 CA ASP A 367 4.523 2.119 0.194 1.00 0.00 C ATOM 348 C ASP A 367 5.301 0.843 -0.111 1.00 0.00 C ATOM 349 O ASP A 367 6.384 0.619 0.434 1.00 0.00 O ATOM 350 CB ASP A 367 3.342 1.792 1.110 1.00 0.00 C ATOM 351 CG ASP A 367 3.840 1.514 2.524 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.982 1.112 2.660 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.070 1.710 3.450 1.00 0.00 O ATOM 0 H ASP A 367 3.030 2.756 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 367 5.185 2.825 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.638 2.624 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.804 0.924 0.728 1.00 0.00 H new ATOM 358 N GLN A 368 4.743 0.010 -0.983 1.00 0.00 N ATOM 359 CA GLN A 368 5.396 -1.240 -1.352 1.00 0.00 C ATOM 360 C GLN A 368 6.649 -0.966 -2.173 1.00 0.00 C ATOM 361 O GLN A 368 7.591 -1.759 -2.175 1.00 0.00 O ATOM 362 CB GLN A 368 4.433 -2.114 -2.160 1.00 0.00 C ATOM 363 CG GLN A 368 3.749 -3.117 -1.228 1.00 0.00 C ATOM 364 CD GLN A 368 3.868 -4.525 -1.800 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.310 -4.700 -2.936 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.500 -5.546 -1.075 1.00 0.00 N ATOM 0 H GLN A 368 3.848 0.176 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 368 5.681 -1.763 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.686 -1.491 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.975 -2.642 -2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.206 -3.077 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.699 -2.853 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 368 3.134 -5.398 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.578 -6.492 -1.449 1.00 0.00 H new ATOM 375 N ASP A 369 6.652 0.164 -2.868 1.00 0.00 N ATOM 376 CA ASP A 369 7.795 0.540 -3.690 1.00 0.00 C ATOM 377 C ASP A 369 8.951 1.007 -2.815 1.00 0.00 C ATOM 378 O ASP A 369 10.113 0.709 -3.090 1.00 0.00 O ATOM 379 CB ASP A 369 7.399 1.660 -4.656 1.00 0.00 C ATOM 380 CG ASP A 369 8.425 1.767 -5.778 1.00 0.00 C ATOM 381 OD1 ASP A 369 9.567 1.402 -5.548 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.055 2.213 -6.853 1.00 0.00 O ATOM 0 H ASP A 369 5.881 0.832 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 369 8.113 -0.334 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.412 1.460 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.333 2.607 -4.121 1.00 0.00 H new ATOM 387 N ARG A 370 8.621 1.736 -1.756 1.00 0.00 N ATOM 388 CA ARG A 370 9.636 2.239 -0.839 1.00 0.00 C ATOM 389 C ARG A 370 10.167 1.110 0.038 1.00 0.00 C ATOM 390 O ARG A 370 11.357 1.062 0.353 1.00 0.00 O ATOM 391 CB ARG A 370 9.044 3.338 0.046 1.00 0.00 C ATOM 392 CG ARG A 370 9.274 4.700 -0.611 1.00 0.00 C ATOM 393 CD ARG A 370 10.066 5.599 0.341 1.00 0.00 C ATOM 394 NE ARG A 370 9.566 5.456 1.703 1.00 0.00 N ATOM 395 CZ ARG A 370 10.214 5.990 2.733 1.00 0.00 C ATOM 396 NH1 ARG A 370 11.319 6.655 2.534 1.00 0.00 N ATOM 397 NH2 ARG A 370 9.745 5.850 3.943 1.00 0.00 N ATOM 0 H ARG A 370 7.664 1.991 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 370 10.458 2.650 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.977 3.168 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.508 3.315 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.817 4.577 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.318 5.164 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 370 11.123 5.337 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.984 6.638 0.023 1.00 0.00 H new ATOM 0 HE ARG A 370 8.704 4.937 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 370 11.685 6.765 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 370 11.817 7.065 3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 370 8.881 5.331 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 370 10.243 6.260 4.733 1.00 0.00 H new ATOM 411 N ASN A 371 9.278 0.202 0.428 1.00 0.00 N ATOM 412 CA ASN A 371 9.669 -0.924 1.267 1.00 0.00 C ATOM 413 C ASN A 371 10.537 -1.902 0.482 1.00 0.00 C ATOM 414 O ASN A 371 11.585 -2.339 0.960 1.00 0.00 O ATOM 415 CB ASN A 371 8.422 -1.648 1.783 1.00 0.00 C ATOM 416 CG ASN A 371 8.803 -3.016 2.335 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.912 -3.151 3.011 1.00 0.00 O flip ATOM 418 ND2 ASN A 371 8.072 -3.987 2.146 1.00 0.00 N flip ATOM 0 H ASN A 371 8.289 0.223 0.179 1.00 0.00 H new ATOM 0 HA ASN A 371 10.244 -0.542 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.943 -1.054 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.698 -1.761 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 371 7.206 -3.878 1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.331 -4.901 2.518 1.00 0.00 H new ATOM 425 N THR A 372 10.096 -2.242 -0.724 1.00 0.00 N ATOM 426 CA THR A 372 10.843 -3.170 -1.567 1.00 0.00 C ATOM 427 C THR A 372 12.158 -2.543 -2.018 1.00 0.00 C ATOM 428 O THR A 372 13.207 -3.185 -1.979 1.00 0.00 O ATOM 429 CB THR A 372 10.011 -3.550 -2.793 1.00 0.00 C ATOM 430 OG1 THR A 372 9.564 -4.893 -2.663 1.00 0.00 O ATOM 431 CG2 THR A 372 10.863 -3.412 -4.054 1.00 0.00 C ATOM 0 H THR A 372 9.232 -1.892 -1.138 1.00 0.00 H new ATOM 0 HA THR A 372 11.060 -4.065 -0.984 1.00 0.00 H new ATOM 0 HB THR A 372 9.149 -2.886 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.029 -5.137 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.268 -3.683 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.203 -2.381 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.727 -4.073 -3.984 1.00 0.00 H new ATOM 439 N ARG A 373 12.094 -1.286 -2.444 1.00 0.00 N ATOM 440 CA ARG A 373 13.287 -0.583 -2.900 1.00 0.00 C ATOM 441 C ARG A 373 14.314 -0.485 -1.776 1.00 0.00 C ATOM 442 O ARG A 373 15.497 -0.762 -1.978 1.00 0.00 O ATOM 443 CB ARG A 373 12.915 0.824 -3.375 1.00 0.00 C ATOM 444 CG ARG A 373 12.446 0.764 -4.830 1.00 0.00 C ATOM 445 CD ARG A 373 13.547 1.304 -5.744 1.00 0.00 C ATOM 446 NE ARG A 373 14.558 0.279 -5.978 1.00 0.00 N ATOM 447 CZ ARG A 373 15.330 0.311 -7.059 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.192 1.271 -7.931 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.228 -0.619 -7.246 1.00 0.00 N ATOM 0 H ARG A 373 11.235 -0.737 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 373 13.722 -1.144 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.127 1.236 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.774 1.489 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.203 -0.263 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.536 1.350 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 373 13.117 1.624 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.007 2.182 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 373 14.674 -0.475 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.491 1.997 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.785 1.295 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 373 16.336 -1.369 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 373 16.821 -0.596 -8.075 1.00 0.00 H new ATOM 463 N ARG A 374 13.856 -0.092 -0.594 1.00 0.00 N ATOM 464 CA ARG A 374 14.745 0.037 0.556 1.00 0.00 C ATOM 465 C ARG A 374 15.347 -1.316 0.920 1.00 0.00 C ATOM 466 O ARG A 374 16.546 -1.421 1.180 1.00 0.00 O ATOM 467 CB ARG A 374 13.972 0.593 1.754 1.00 0.00 C ATOM 468 CG ARG A 374 14.323 2.071 1.946 1.00 0.00 C ATOM 469 CD ARG A 374 13.852 2.531 3.326 1.00 0.00 C ATOM 470 NE ARG A 374 14.812 3.467 3.901 1.00 0.00 N ATOM 471 CZ ARG A 374 15.085 4.623 3.306 1.00 0.00 C ATOM 472 NH1 ARG A 374 14.492 4.936 2.186 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.948 5.444 3.839 1.00 0.00 N ATOM 0 H ARG A 374 12.881 0.142 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 374 15.551 0.723 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.900 0.481 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.220 0.029 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 374 15.399 2.216 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.850 2.672 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 374 12.874 3.006 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.734 1.670 3.984 1.00 0.00 H new ATOM 0 HE ARG A 374 15.282 3.230 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 374 13.819 4.293 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 374 14.701 5.823 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 374 16.413 5.198 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.157 6.331 3.382 1.00 0.00 H new ATOM 487 N MET A 375 14.509 -2.346 0.938 1.00 0.00 N ATOM 488 CA MET A 375 14.972 -3.688 1.273 1.00 0.00 C ATOM 489 C MET A 375 15.715 -4.307 0.095 1.00 0.00 C ATOM 490 O MET A 375 16.499 -5.241 0.264 1.00 0.00 O ATOM 491 CB MET A 375 13.782 -4.573 1.652 1.00 0.00 C ATOM 492 CG MET A 375 13.676 -5.736 0.663 1.00 0.00 C ATOM 493 SD MET A 375 12.436 -6.915 1.251 1.00 0.00 S ATOM 494 CE MET A 375 11.443 -6.974 -0.261 1.00 0.00 C ATOM 0 H MET A 375 13.513 -2.279 0.727 1.00 0.00 H new ATOM 0 HA MET A 375 15.654 -3.616 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.907 -4.954 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 375 12.862 -3.988 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.401 -5.364 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 375 14.643 -6.229 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 375 10.950 -7.943 -0.335 1.00 0.00 H new ATOM 0 HE2 MET A 375 10.691 -6.185 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.089 -6.829 -1.127 1.00 0.00 H new ATOM 504 N ARG A 376 15.464 -3.778 -1.095 1.00 0.00 N ATOM 505 CA ARG A 376 16.114 -4.284 -2.299 1.00 0.00 C ATOM 506 C ARG A 376 17.574 -3.848 -2.342 1.00 0.00 C ATOM 507 O ARG A 376 18.465 -4.652 -2.621 1.00 0.00 O ATOM 508 CB ARG A 376 15.388 -3.765 -3.542 1.00 0.00 C ATOM 509 CG ARG A 376 14.442 -4.846 -4.070 1.00 0.00 C ATOM 510 CD ARG A 376 15.103 -5.573 -5.241 1.00 0.00 C ATOM 511 NE ARG A 376 14.282 -5.447 -6.441 1.00 0.00 N ATOM 512 CZ ARG A 376 14.687 -5.942 -7.607 1.00 0.00 C ATOM 513 NH1 ARG A 376 15.836 -6.556 -7.689 1.00 0.00 N ATOM 514 NH2 ARG A 376 13.935 -5.816 -8.665 1.00 0.00 N ATOM 0 H ARG A 376 14.819 -3.004 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 376 16.072 -5.373 -2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 376 14.827 -2.863 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.111 -3.492 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 376 14.203 -5.554 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.502 -4.397 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 376 16.094 -5.157 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 376 15.240 -6.626 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 376 13.382 -4.971 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 376 16.421 -6.655 -6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 376 16.148 -6.936 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 376 13.036 -5.338 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 376 14.245 -6.196 -9.559 1.00 0.00 H new ATOM 528 N ARG A 377 17.814 -2.570 -2.064 1.00 0.00 N ATOM 529 CA ARG A 377 19.172 -2.038 -2.075 1.00 0.00 C ATOM 530 C ARG A 377 20.028 -2.737 -1.026 1.00 0.00 C ATOM 531 O ARG A 377 21.256 -2.729 -1.103 1.00 0.00 O ATOM 532 CB ARG A 377 19.148 -0.534 -1.798 1.00 0.00 C ATOM 533 CG ARG A 377 17.918 0.087 -2.462 1.00 0.00 C ATOM 534 CD ARG A 377 18.343 1.293 -3.301 1.00 0.00 C ATOM 535 NE ARG A 377 18.398 0.932 -4.713 1.00 0.00 N ATOM 536 CZ ARG A 377 18.452 1.865 -5.659 1.00 0.00 C ATOM 537 NH1 ARG A 377 18.456 3.127 -5.331 1.00 0.00 N ATOM 538 NH2 ARG A 377 18.499 1.518 -6.915 1.00 0.00 N ATOM 0 H ARG A 377 17.092 -1.889 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 377 19.604 -2.217 -3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 377 19.126 -0.352 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 377 20.056 -0.068 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 377 17.421 -0.650 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 377 17.199 0.394 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.639 2.112 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 377 19.319 1.649 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 377 18.395 -0.053 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 377 18.418 3.399 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 377 18.497 3.842 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 377 18.494 0.531 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 377 18.540 2.234 -7.641 1.00 0.00 H new ATOM 552 N LEU A 378 19.366 -3.339 -0.049 1.00 0.00 N ATOM 553 CA LEU A 378 20.067 -4.044 1.018 1.00 0.00 C ATOM 554 C LEU A 378 19.729 -5.531 0.991 1.00 0.00 C ATOM 555 O LEU A 378 20.025 -6.262 1.935 1.00 0.00 O ATOM 556 CB LEU A 378 19.679 -3.455 2.376 1.00 0.00 C ATOM 557 CG LEU A 378 18.437 -4.172 2.907 1.00 0.00 C ATOM 558 CD1 LEU A 378 18.855 -5.239 3.918 1.00 0.00 C ATOM 559 CD2 LEU A 378 17.517 -3.156 3.589 1.00 0.00 C ATOM 0 H LEU A 378 18.349 -3.355 0.029 1.00 0.00 H new ATOM 0 HA LEU A 378 21.139 -3.924 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 378 20.504 -3.564 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 378 19.482 -2.387 2.278 1.00 0.00 H new ATOM 0 HG LEU A 378 17.909 -4.645 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 378 17.969 -5.749 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 378 19.511 -5.962 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 378 19.383 -4.768 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 378 16.631 -3.665 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 378 18.046 -2.684 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 378 17.218 -2.395 2.868 1.00 0.00 H new ATOM 571 N ALA A 379 19.107 -5.970 -0.098 1.00 0.00 N ATOM 572 CA ALA A 379 18.732 -7.373 -0.238 1.00 0.00 C ATOM 573 C ALA A 379 19.646 -8.074 -1.238 1.00 0.00 C ATOM 574 O ALA A 379 20.773 -8.446 -0.911 1.00 0.00 O ATOM 575 CB ALA A 379 17.281 -7.482 -0.706 1.00 0.00 C ATOM 0 H ALA A 379 18.853 -5.380 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 379 18.836 -7.856 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 379 17.010 -8.533 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 379 16.626 -7.007 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 379 17.171 -6.984 -1.669 1.00 0.00 H new ATOM 581 N ASN A 380 19.152 -8.251 -2.459 1.00 0.00 N ATOM 582 CA ASN A 380 19.933 -8.908 -3.501 1.00 0.00 C ATOM 583 C ASN A 380 20.024 -10.408 -3.235 1.00 0.00 C ATOM 584 O ASN A 380 20.477 -10.833 -2.173 1.00 0.00 O ATOM 585 CB ASN A 380 21.340 -8.312 -3.555 1.00 0.00 C ATOM 586 CG ASN A 380 21.592 -7.696 -4.927 1.00 0.00 C ATOM 587 OD1 ASN A 380 22.439 -8.179 -5.678 1.00 0.00 O ATOM 588 ND2 ASN A 380 20.903 -6.652 -5.301 1.00 0.00 N ATOM 0 H ASN A 380 18.221 -7.951 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 380 19.435 -8.748 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 380 21.453 -7.554 -2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 380 22.080 -9.086 -3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 380 21.066 -6.235 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 380 20.202 -6.254 -4.677 1.00 0.00 H new ATOM 595 N THR A 381 19.592 -11.204 -4.208 1.00 0.00 N ATOM 596 CA THR A 381 19.630 -12.655 -4.068 1.00 0.00 C ATOM 597 C THR A 381 19.183 -13.330 -5.361 1.00 0.00 C ATOM 598 O THR A 381 18.067 -13.112 -5.831 1.00 0.00 O ATOM 599 CB THR A 381 18.719 -13.093 -2.919 1.00 0.00 C ATOM 600 OG1 THR A 381 18.116 -11.948 -2.332 1.00 0.00 O ATOM 601 CG2 THR A 381 19.543 -13.837 -1.866 1.00 0.00 C ATOM 0 H THR A 381 19.214 -10.872 -5.095 1.00 0.00 H new ATOM 0 HA THR A 381 20.656 -12.954 -3.852 1.00 0.00 H new ATOM 0 HB THR A 381 17.943 -13.756 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 381 17.531 -12.227 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 381 18.893 -14.148 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 381 20.003 -14.716 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 381 20.321 -13.178 -1.480 1.00 0.00 H new ATOM 609 N ALA A 382 20.062 -14.149 -5.928 1.00 0.00 N ATOM 610 CA ALA A 382 19.746 -14.851 -7.167 1.00 0.00 C ATOM 611 C ALA A 382 19.442 -13.857 -8.284 1.00 0.00 C ATOM 612 O ALA A 382 18.293 -13.464 -8.485 1.00 0.00 O ATOM 613 CB ALA A 382 18.540 -15.769 -6.955 1.00 0.00 C ATOM 0 H ALA A 382 20.991 -14.342 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 382 20.611 -15.449 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 382 18.311 -16.289 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 382 18.770 -16.498 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 382 17.679 -15.174 -6.650 1.00 0.00 H new ATOM 619 N PRO A 383 20.449 -13.450 -9.006 1.00 0.00 N ATOM 620 CA PRO A 383 20.300 -12.481 -10.129 1.00 0.00 C ATOM 621 C PRO A 383 19.630 -13.111 -11.346 1.00 0.00 C ATOM 622 O PRO A 383 20.156 -14.054 -11.939 1.00 0.00 O ATOM 623 CB PRO A 383 21.738 -12.071 -10.448 1.00 0.00 C ATOM 624 CG PRO A 383 22.589 -13.208 -9.987 1.00 0.00 C ATOM 625 CD PRO A 383 21.847 -13.873 -8.827 1.00 0.00 C ATOM 0 HA PRO A 383 19.663 -11.638 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 383 21.867 -11.892 -11.515 1.00 0.00 H new ATOM 0 HB3 PRO A 383 22.006 -11.147 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 383 22.757 -13.918 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 383 23.568 -12.853 -9.667 1.00 0.00 H new ATOM 0 HD2 PRO A 383 21.943 -14.958 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 383 22.241 -13.549 -7.864 1.00 0.00 H new ATOM 633 N ALA A 384 18.467 -12.584 -11.715 1.00 0.00 N ATOM 634 CA ALA A 384 17.734 -13.104 -12.864 1.00 0.00 C ATOM 635 C ALA A 384 18.272 -12.503 -14.159 1.00 0.00 C ATOM 636 O ALA A 384 17.587 -11.731 -14.829 1.00 0.00 O ATOM 637 CB ALA A 384 16.246 -12.773 -12.727 1.00 0.00 C ATOM 0 H ALA A 384 18.014 -11.803 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 384 17.865 -14.186 -12.896 1.00 0.00 H new ATOM 0 HB1 ALA A 384 15.705 -13.164 -13.589 1.00 0.00 H new ATOM 0 HB2 ALA A 384 15.855 -13.227 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 384 16.117 -11.692 -12.678 1.00 0.00 H new ATOM 643 N TRP A 385 19.504 -12.864 -14.505 1.00 0.00 N ATOM 644 CA TRP A 385 20.125 -12.355 -15.722 1.00 0.00 C ATOM 645 C TRP A 385 20.553 -13.505 -16.627 1.00 0.00 C ATOM 646 O TRP A 385 20.736 -13.266 -17.809 1.00 0.00 O ATOM 647 CB TRP A 385 21.344 -11.502 -15.369 1.00 0.00 C ATOM 648 CG TRP A 385 21.444 -10.356 -16.324 1.00 0.00 C ATOM 649 CD1 TRP A 385 21.842 -10.453 -17.614 1.00 0.00 C ATOM 650 CD2 TRP A 385 21.148 -8.948 -16.092 1.00 0.00 C ATOM 651 NE1 TRP A 385 21.811 -9.194 -18.187 1.00 0.00 N ATOM 652 CE2 TRP A 385 21.390 -8.234 -17.290 1.00 0.00 C ATOM 653 CE3 TRP A 385 20.699 -8.229 -14.970 1.00 0.00 C ATOM 654 CZ2 TRP A 385 21.193 -6.854 -17.371 1.00 0.00 C ATOM 655 CZ3 TRP A 385 20.499 -6.842 -15.047 1.00 0.00 C ATOM 656 CH2 TRP A 385 20.745 -6.156 -16.247 1.00 0.00 C ATOM 0 H TRP A 385 20.088 -13.502 -13.964 1.00 0.00 H new ATOM 0 HA TRP A 385 19.394 -11.743 -16.251 1.00 0.00 H new ATOM 0 HB2 TRP A 385 21.258 -11.132 -14.347 1.00 0.00 H new ATOM 0 HB3 TRP A 385 22.250 -12.107 -15.414 1.00 0.00 H new ATOM 0 HD1 TRP A 385 22.136 -11.364 -18.114 1.00 0.00 H new ATOM 0 HE1 TRP A 385 22.068 -8.999 -19.155 1.00 0.00 H new ATOM 0 HE3 TRP A 385 20.507 -8.748 -14.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 21.386 -6.330 -18.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 20.154 -6.300 -14.179 1.00 0.00 H new ATOM 0 HH2 TRP A 385 20.588 -5.089 -16.301 1.00 0.00 H new TER 667 TRP A 385