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 -61:sc= 0.13! USER MOD Single : A 350 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 361 MET CE :methyl -151:sc= -0.135 (180deg=-1.81!) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 371 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.81) 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= -0.0451 K(o=-0.045,f=-6.4!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 2.788 -26.077 2.552 1.00 0.00 N ATOM 2 CA GLY A 345 1.574 -25.356 2.071 1.00 0.00 C ATOM 3 C GLY A 345 1.794 -23.852 2.195 1.00 0.00 C ATOM 4 O GLY A 345 2.417 -23.381 3.145 1.00 0.00 O ATOM 0 HA2 GLY A 345 1.368 -25.620 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 345 0.704 -25.657 2.655 1.00 0.00 H new ATOM 8 N PRO A 346 1.290 -23.101 1.254 1.00 0.00 N ATOM 9 CA PRO A 346 1.426 -21.616 1.248 1.00 0.00 C ATOM 10 C PRO A 346 0.546 -20.952 2.303 1.00 0.00 C ATOM 11 O PRO A 346 -0.206 -21.624 3.010 1.00 0.00 O ATOM 12 CB PRO A 346 0.984 -21.218 -0.162 1.00 0.00 C ATOM 13 CG PRO A 346 0.079 -22.313 -0.619 1.00 0.00 C ATOM 14 CD PRO A 346 0.533 -23.589 0.092 1.00 0.00 C ATOM 0 HA PRO A 346 2.440 -21.297 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 346 0.467 -20.258 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 346 1.841 -21.114 -0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -0.958 -22.084 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 346 0.134 -22.433 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -0.317 -24.199 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 346 1.153 -24.208 -0.557 1.00 0.00 H new ATOM 22 N LEU A 347 0.644 -19.631 2.404 1.00 0.00 N ATOM 23 CA LEU A 347 -0.147 -18.887 3.377 1.00 0.00 C ATOM 24 C LEU A 347 -0.610 -17.559 2.787 1.00 0.00 C ATOM 25 O LEU A 347 -0.055 -16.504 3.097 1.00 0.00 O ATOM 26 CB LEU A 347 0.680 -18.629 4.636 1.00 0.00 C ATOM 27 CG LEU A 347 1.087 -19.963 5.262 1.00 0.00 C ATOM 28 CD1 LEU A 347 2.287 -19.749 6.187 1.00 0.00 C ATOM 29 CD2 LEU A 347 -0.084 -20.525 6.071 1.00 0.00 C ATOM 0 H LEU A 347 1.259 -19.056 1.828 1.00 0.00 H new ATOM 0 HA LEU A 347 -1.023 -19.482 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 347 1.567 -18.046 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 347 0.102 -18.042 5.350 1.00 0.00 H new ATOM 0 HG LEU A 347 1.356 -20.666 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 347 2.577 -20.700 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 347 3.122 -19.348 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 347 2.018 -19.046 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 347 0.206 -21.476 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -0.353 -19.821 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -0.940 -20.678 5.414 1.00 0.00 H new ATOM 41 N GLY A 348 -1.629 -17.617 1.937 1.00 0.00 N ATOM 42 CA GLY A 348 -2.158 -16.411 1.310 1.00 0.00 C ATOM 43 C GLY A 348 -3.441 -15.957 1.996 1.00 0.00 C ATOM 44 O GLY A 348 -4.010 -16.684 2.812 1.00 0.00 O ATOM 0 H GLY A 348 -2.103 -18.479 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -1.414 -15.616 1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -2.353 -16.601 0.255 1.00 0.00 H new ATOM 48 N SER A 349 -3.892 -14.753 1.663 1.00 0.00 N ATOM 49 CA SER A 349 -5.111 -14.214 2.255 1.00 0.00 C ATOM 50 C SER A 349 -5.584 -12.988 1.481 1.00 0.00 C ATOM 51 O SER A 349 -4.779 -12.161 1.051 1.00 0.00 O ATOM 52 CB SER A 349 -4.858 -13.831 3.712 1.00 0.00 C ATOM 53 OG SER A 349 -3.841 -14.669 4.249 1.00 0.00 O ATOM 0 H SER A 349 -3.436 -14.135 0.991 1.00 0.00 H new ATOM 0 HA SER A 349 -5.885 -14.981 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 349 -4.556 -12.786 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 349 -5.775 -13.935 4.292 1.00 0.00 H new ATOM 0 HG SER A 349 -4.135 -15.603 4.214 1.00 0.00 H new ATOM 59 N MET A 350 -6.898 -12.876 1.306 1.00 0.00 N ATOM 60 CA MET A 350 -7.469 -11.745 0.583 1.00 0.00 C ATOM 61 C MET A 350 -8.799 -11.330 1.201 1.00 0.00 C ATOM 62 O MET A 350 -9.623 -12.171 1.556 1.00 0.00 O ATOM 63 CB MET A 350 -7.682 -12.120 -0.885 1.00 0.00 C ATOM 64 CG MET A 350 -6.389 -11.879 -1.667 1.00 0.00 C ATOM 65 SD MET A 350 -6.027 -13.324 -2.696 1.00 0.00 S ATOM 66 CE MET A 350 -6.756 -12.699 -4.230 1.00 0.00 C ATOM 0 H MET A 350 -7.582 -13.549 1.652 1.00 0.00 H new ATOM 0 HA MET A 350 -6.774 -10.907 0.648 1.00 0.00 H new ATOM 0 HB2 MET A 350 -7.978 -13.166 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 350 -8.492 -11.526 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 350 -6.489 -10.991 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 350 -5.564 -11.694 -0.979 1.00 0.00 H new ATOM 0 HE1 MET A 350 -6.643 -13.445 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 350 -7.815 -12.495 -4.073 1.00 0.00 H new ATOM 0 HE3 MET A 350 -6.249 -11.780 -4.526 1.00 0.00 H new ATOM 76 N PRO A 351 -9.016 -10.048 1.336 1.00 0.00 N ATOM 77 CA PRO A 351 -10.270 -9.499 1.925 1.00 0.00 C ATOM 78 C PRO A 351 -11.459 -9.641 0.979 1.00 0.00 C ATOM 79 O PRO A 351 -11.342 -10.225 -0.099 1.00 0.00 O ATOM 80 CB PRO A 351 -9.941 -8.026 2.168 1.00 0.00 C ATOM 81 CG PRO A 351 -8.858 -7.693 1.195 1.00 0.00 C ATOM 82 CD PRO A 351 -8.082 -8.985 0.938 1.00 0.00 C ATOM 0 HA PRO A 351 -10.564 -10.030 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -10.817 -7.397 2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -9.611 -7.862 3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -9.278 -7.303 0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -8.201 -6.921 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -7.796 -9.077 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -7.163 -9.022 1.523 1.00 0.00 H new ATOM 90 N LEU A 352 -12.604 -9.106 1.391 1.00 0.00 N ATOM 91 CA LEU A 352 -13.809 -9.181 0.573 1.00 0.00 C ATOM 92 C LEU A 352 -14.276 -7.783 0.179 1.00 0.00 C ATOM 93 O LEU A 352 -15.297 -7.300 0.668 1.00 0.00 O ATOM 94 CB LEU A 352 -14.922 -9.895 1.345 1.00 0.00 C ATOM 95 CG LEU A 352 -15.782 -10.702 0.371 1.00 0.00 C ATOM 96 CD1 LEU A 352 -15.615 -12.195 0.661 1.00 0.00 C ATOM 97 CD2 LEU A 352 -17.250 -10.310 0.545 1.00 0.00 C ATOM 0 H LEU A 352 -12.723 -8.619 2.280 1.00 0.00 H new ATOM 0 HA LEU A 352 -13.577 -9.743 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -14.491 -10.554 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -15.538 -9.167 1.873 1.00 0.00 H new ATOM 0 HG LEU A 352 -15.468 -10.493 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -16.228 -12.771 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -14.568 -12.474 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -15.930 -12.405 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -17.865 -10.884 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -17.564 -10.520 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -17.369 -9.246 0.340 1.00 0.00 H new ATOM 109 N LEU A 353 -13.523 -7.141 -0.709 1.00 0.00 N ATOM 110 CA LEU A 353 -13.868 -5.802 -1.165 1.00 0.00 C ATOM 111 C LEU A 353 -12.760 -5.239 -2.044 1.00 0.00 C ATOM 112 O LEU A 353 -11.596 -5.195 -1.647 1.00 0.00 O ATOM 113 CB LEU A 353 -14.086 -4.878 0.031 1.00 0.00 C ATOM 114 CG LEU A 353 -15.134 -3.821 -0.324 1.00 0.00 C ATOM 115 CD1 LEU A 353 -16.060 -3.599 0.873 1.00 0.00 C ATOM 116 CD2 LEU A 353 -14.435 -2.508 -0.678 1.00 0.00 C ATOM 0 H LEU A 353 -12.674 -7.525 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 353 -14.788 -5.864 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -14.415 -5.456 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -13.148 -4.397 0.308 1.00 0.00 H new ATOM 0 HG LEU A 353 -15.719 -4.162 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -16.807 -2.846 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -16.559 -4.535 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -15.475 -3.258 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -15.181 -1.755 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -13.849 -2.166 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -13.775 -2.666 -1.531 1.00 0.00 H new ATOM 128 N GLU A 354 -13.136 -4.814 -3.240 1.00 0.00 N ATOM 129 CA GLU A 354 -12.174 -4.252 -4.182 1.00 0.00 C ATOM 130 C GLU A 354 -12.752 -3.019 -4.866 1.00 0.00 C ATOM 131 O GLU A 354 -13.024 -3.033 -6.067 1.00 0.00 O ATOM 132 CB GLU A 354 -11.803 -5.297 -5.235 1.00 0.00 C ATOM 133 CG GLU A 354 -10.505 -5.996 -4.828 1.00 0.00 C ATOM 134 CD GLU A 354 -10.780 -7.461 -4.506 1.00 0.00 C ATOM 135 OE1 GLU A 354 -10.808 -7.794 -3.333 1.00 0.00 O ATOM 136 OE2 GLU A 354 -10.959 -8.228 -5.437 1.00 0.00 O ATOM 0 H GLU A 354 -14.096 -4.846 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 354 -11.280 -3.961 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -12.606 -6.028 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -11.682 -4.821 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -9.775 -5.923 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -10.072 -5.499 -3.960 1.00 0.00 H new ATOM 143 N THR A 355 -12.938 -1.952 -4.095 1.00 0.00 N ATOM 144 CA THR A 355 -13.485 -0.715 -4.639 1.00 0.00 C ATOM 145 C THR A 355 -12.831 0.496 -3.979 1.00 0.00 C ATOM 146 O THR A 355 -13.421 1.135 -3.108 1.00 0.00 O ATOM 147 CB THR A 355 -14.997 -0.666 -4.411 1.00 0.00 C ATOM 148 OG1 THR A 355 -15.381 -1.746 -3.571 1.00 0.00 O ATOM 149 CG2 THR A 355 -15.721 -0.778 -5.753 1.00 0.00 C ATOM 0 H THR A 355 -12.720 -1.919 -3.099 1.00 0.00 H new ATOM 0 HA THR A 355 -13.278 -0.689 -5.709 1.00 0.00 H new ATOM 0 HB THR A 355 -15.264 0.278 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 355 -16.349 -1.716 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 355 -16.798 -0.743 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 355 -15.425 0.050 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 355 -15.457 -1.721 -6.231 1.00 0.00 H new ATOM 157 N LEU A 356 -11.608 0.805 -4.400 1.00 0.00 N ATOM 158 CA LEU A 356 -10.883 1.939 -3.845 1.00 0.00 C ATOM 159 C LEU A 356 -10.708 3.028 -4.896 1.00 0.00 C ATOM 160 O LEU A 356 -11.409 3.051 -5.907 1.00 0.00 O ATOM 161 CB LEU A 356 -9.515 1.484 -3.346 1.00 0.00 C ATOM 162 CG LEU A 356 -9.655 0.160 -2.595 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.272 -0.344 -2.181 1.00 0.00 C ATOM 164 CD2 LEU A 356 -10.513 0.373 -1.346 1.00 0.00 C ATOM 0 H LEU A 356 -11.102 0.288 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.458 2.345 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.831 1.366 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -9.086 2.242 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.129 -0.576 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.374 -1.288 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -7.659 -0.495 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.796 0.391 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -10.614 -0.570 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -10.037 1.110 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -11.500 0.731 -1.639 1.00 0.00 H new ATOM 176 N THR A 357 -9.767 3.929 -4.645 1.00 0.00 N ATOM 177 CA THR A 357 -9.501 5.022 -5.573 1.00 0.00 C ATOM 178 C THR A 357 -8.030 5.039 -5.975 1.00 0.00 C ATOM 179 O THR A 357 -7.301 4.075 -5.739 1.00 0.00 O ATOM 180 CB THR A 357 -9.871 6.357 -4.926 1.00 0.00 C ATOM 181 OG1 THR A 357 -8.821 6.769 -4.062 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.163 6.199 -4.123 1.00 0.00 C ATOM 0 H THR A 357 -9.178 3.926 -3.812 1.00 0.00 H new ATOM 0 HA THR A 357 -10.107 4.871 -6.466 1.00 0.00 H new ATOM 0 HB THR A 357 -10.020 7.108 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.055 7.626 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.424 7.152 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.968 5.884 -4.787 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.019 5.448 -3.346 1.00 0.00 H new ATOM 190 N ASP A 358 -7.600 6.140 -6.582 1.00 0.00 N ATOM 191 CA ASP A 358 -6.212 6.272 -7.012 1.00 0.00 C ATOM 192 C ASP A 358 -5.299 6.492 -5.812 1.00 0.00 C ATOM 193 O ASP A 358 -4.113 6.165 -5.850 1.00 0.00 O ATOM 194 CB ASP A 358 -6.074 7.443 -7.986 1.00 0.00 C ATOM 195 CG ASP A 358 -6.082 6.929 -9.423 1.00 0.00 C ATOM 196 OD1 ASP A 358 -5.862 5.745 -9.609 1.00 0.00 O ATOM 197 OD2 ASP A 358 -6.309 7.729 -10.316 1.00 0.00 O ATOM 0 H ASP A 358 -8.187 6.949 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.917 5.350 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.892 8.148 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.148 7.983 -7.789 1.00 0.00 H new ATOM 202 N ALA A 359 -5.864 7.053 -4.752 1.00 0.00 N ATOM 203 CA ALA A 359 -5.097 7.319 -3.539 1.00 0.00 C ATOM 204 C ALA A 359 -4.608 6.016 -2.918 1.00 0.00 C ATOM 205 O ALA A 359 -3.432 5.882 -2.576 1.00 0.00 O ATOM 206 CB ALA A 359 -5.963 8.075 -2.530 1.00 0.00 C ATOM 0 H ALA A 359 -6.844 7.332 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.233 7.928 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.384 8.270 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.287 9.021 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.837 7.474 -2.278 1.00 0.00 H new ATOM 212 N GLU A 360 -5.514 5.055 -2.776 1.00 0.00 N ATOM 213 CA GLU A 360 -5.165 3.765 -2.194 1.00 0.00 C ATOM 214 C GLU A 360 -4.075 3.083 -3.014 1.00 0.00 C ATOM 215 O GLU A 360 -3.114 2.548 -2.464 1.00 0.00 O ATOM 216 CB GLU A 360 -6.400 2.871 -2.135 1.00 0.00 C ATOM 217 CG GLU A 360 -7.136 3.102 -0.814 1.00 0.00 C ATOM 218 CD GLU A 360 -7.473 1.764 -0.164 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.551 1.032 0.152 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.650 1.492 0.008 1.00 0.00 O ATOM 0 H GLU A 360 -6.491 5.144 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.789 3.931 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.060 3.090 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.109 1.824 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.517 3.696 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.049 3.670 -0.991 1.00 0.00 H new ATOM 227 N MET A 361 -4.233 3.107 -4.333 1.00 0.00 N ATOM 228 CA MET A 361 -3.255 2.489 -5.221 1.00 0.00 C ATOM 229 C MET A 361 -1.881 3.118 -5.025 1.00 0.00 C ATOM 230 O MET A 361 -0.885 2.416 -4.849 1.00 0.00 O ATOM 231 CB MET A 361 -3.690 2.656 -6.678 1.00 0.00 C ATOM 232 CG MET A 361 -4.785 1.638 -7.004 1.00 0.00 C ATOM 233 SD MET A 361 -4.578 1.053 -8.704 1.00 0.00 S ATOM 234 CE MET A 361 -4.378 2.676 -9.479 1.00 0.00 C ATOM 0 H MET A 361 -5.023 3.544 -4.808 1.00 0.00 H new ATOM 0 HA MET A 361 -3.195 1.428 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.058 3.668 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 361 -2.837 2.514 -7.342 1.00 0.00 H new ATOM 0 HG2 MET A 361 -4.734 0.799 -6.311 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.768 2.093 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.739 2.636 -10.507 1.00 0.00 H new ATOM 0 HE2 MET A 361 -4.950 3.418 -8.922 1.00 0.00 H new ATOM 0 HE3 MET A 361 -3.324 2.953 -9.476 1.00 0.00 H new ATOM 244 N GLU A 362 -1.836 4.446 -5.052 1.00 0.00 N ATOM 245 CA GLU A 362 -0.577 5.162 -4.874 1.00 0.00 C ATOM 246 C GLU A 362 -0.025 4.931 -3.472 1.00 0.00 C ATOM 247 O GLU A 362 1.188 4.943 -3.262 1.00 0.00 O ATOM 248 CB GLU A 362 -0.793 6.660 -5.100 1.00 0.00 C ATOM 249 CG GLU A 362 -0.813 6.952 -6.601 1.00 0.00 C ATOM 250 CD GLU A 362 0.436 7.731 -6.999 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.504 7.379 -6.526 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.308 8.667 -7.770 1.00 0.00 O ATOM 0 H GLU A 362 -2.650 5.045 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 362 0.142 4.785 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.732 6.976 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.002 7.230 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.862 6.018 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.705 7.524 -6.856 1.00 0.00 H new ATOM 259 N LYS A 363 -0.923 4.720 -2.516 1.00 0.00 N ATOM 260 CA LYS A 363 -0.514 4.487 -1.135 1.00 0.00 C ATOM 261 C LYS A 363 0.177 3.133 -1.003 1.00 0.00 C ATOM 262 O LYS A 363 1.262 3.032 -0.431 1.00 0.00 O ATOM 263 CB LYS A 363 -1.736 4.531 -0.215 1.00 0.00 C ATOM 264 CG LYS A 363 -1.493 5.539 0.909 1.00 0.00 C ATOM 265 CD LYS A 363 -0.859 4.826 2.106 1.00 0.00 C ATOM 266 CE LYS A 363 -0.339 5.865 3.102 1.00 0.00 C ATOM 267 NZ LYS A 363 1.143 5.976 2.974 1.00 0.00 N ATOM 0 H LYS A 363 -1.931 4.705 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 363 0.187 5.270 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.623 4.811 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.925 3.542 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.839 6.338 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.434 6.003 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.592 4.180 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.042 4.187 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.805 6.832 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -0.607 5.576 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.498 6.682 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.579 5.054 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 1.387 6.270 2.007 1.00 0.00 H new ATOM 281 N LYS A 364 -0.460 2.096 -1.537 1.00 0.00 N ATOM 282 CA LYS A 364 0.101 0.751 -1.473 1.00 0.00 C ATOM 283 C LYS A 364 1.289 0.623 -2.422 1.00 0.00 C ATOM 284 O LYS A 364 2.345 0.116 -2.044 1.00 0.00 O ATOM 285 CB LYS A 364 -0.965 -0.279 -1.846 1.00 0.00 C ATOM 286 CG LYS A 364 -1.150 -0.298 -3.365 1.00 0.00 C ATOM 287 CD LYS A 364 -2.300 -1.240 -3.729 1.00 0.00 C ATOM 288 CE LYS A 364 -1.792 -2.321 -4.683 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.937 -3.164 -5.132 1.00 0.00 N ATOM 0 H LYS A 364 -1.358 2.160 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 364 0.441 0.567 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.670 -1.267 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.908 -0.035 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.361 0.708 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.230 -0.626 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.708 -1.698 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.110 -0.679 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -1.305 -1.862 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.045 -2.939 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.593 -3.900 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -3.383 -3.612 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -3.635 -2.569 -5.622 1.00 0.00 H new ATOM 303 N ILE A 365 1.108 1.087 -3.655 1.00 0.00 N ATOM 304 CA ILE A 365 2.172 1.019 -4.649 1.00 0.00 C ATOM 305 C ILE A 365 3.403 1.780 -4.171 1.00 0.00 C ATOM 306 O ILE A 365 4.520 1.266 -4.218 1.00 0.00 O ATOM 307 CB ILE A 365 1.687 1.608 -5.971 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.870 0.558 -6.729 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.890 2.026 -6.818 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.132 0.691 -8.230 1.00 0.00 C ATOM 0 H ILE A 365 0.242 1.511 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 365 2.441 -0.027 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 365 1.064 2.480 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.140 -0.442 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.192 0.689 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.542 2.446 -7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.471 2.775 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.515 1.155 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.550 -0.057 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.840 1.687 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.193 0.538 -8.429 1.00 0.00 H new ATOM 322 N ARG A 366 3.188 3.006 -3.709 1.00 0.00 N ATOM 323 CA ARG A 366 4.287 3.832 -3.222 1.00 0.00 C ATOM 324 C ARG A 366 4.910 3.213 -1.976 1.00 0.00 C ATOM 325 O ARG A 366 6.133 3.147 -1.848 1.00 0.00 O ATOM 326 CB ARG A 366 3.780 5.238 -2.897 1.00 0.00 C ATOM 327 CG ARG A 366 3.042 5.219 -1.557 1.00 0.00 C ATOM 328 CD ARG A 366 2.406 6.587 -1.304 1.00 0.00 C ATOM 329 NE ARG A 366 3.052 7.604 -2.125 1.00 0.00 N ATOM 330 CZ ARG A 366 4.170 8.202 -1.726 1.00 0.00 C ATOM 331 NH1 ARG A 366 4.707 7.882 -0.580 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.730 9.110 -2.478 1.00 0.00 N ATOM 0 H ARG A 366 2.270 3.448 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 366 5.045 3.892 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.616 5.936 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 366 3.114 5.587 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.274 4.445 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 366 3.735 4.974 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 366 1.341 6.548 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 366 2.497 6.849 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 366 2.639 7.861 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.269 7.174 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 366 5.565 8.340 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 366 4.310 9.361 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 366 5.588 9.568 -2.171 1.00 0.00 H new ATOM 346 N ASP A 367 4.060 2.761 -1.060 1.00 0.00 N ATOM 347 CA ASP A 367 4.538 2.148 0.174 1.00 0.00 C ATOM 348 C ASP A 367 5.318 0.873 -0.130 1.00 0.00 C ATOM 349 O ASP A 367 6.400 0.651 0.415 1.00 0.00 O ATOM 350 CB ASP A 367 3.356 1.820 1.087 1.00 0.00 C ATOM 351 CG ASP A 367 3.852 1.535 2.499 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.843 2.129 2.890 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.234 0.724 3.171 1.00 0.00 O ATOM 0 H ASP A 367 3.045 2.807 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 367 5.199 2.854 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.654 2.654 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.816 0.955 0.701 1.00 0.00 H new ATOM 358 N GLN A 368 4.763 0.040 -1.003 1.00 0.00 N ATOM 359 CA GLN A 368 5.416 -1.211 -1.372 1.00 0.00 C ATOM 360 C GLN A 368 6.672 -0.935 -2.188 1.00 0.00 C ATOM 361 O GLN A 368 7.615 -1.727 -2.187 1.00 0.00 O ATOM 362 CB GLN A 368 4.458 -2.084 -2.183 1.00 0.00 C ATOM 363 CG GLN A 368 4.888 -2.088 -3.651 1.00 0.00 C ATOM 364 CD GLN A 368 3.947 -2.966 -4.468 1.00 0.00 C ATOM 365 OE1 GLN A 368 2.785 -2.615 -4.668 1.00 0.00 O ATOM 366 NE2 GLN A 368 4.384 -4.096 -4.956 1.00 0.00 N ATOM 0 H GLN A 368 3.869 0.206 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 368 5.696 -1.736 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.456 -3.101 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.440 -1.706 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.882 -1.071 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.910 -2.457 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 368 5.348 -4.385 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.761 -4.689 -5.504 1.00 0.00 H new ATOM 375 N ASP A 369 6.678 0.194 -2.883 1.00 0.00 N ATOM 376 CA ASP A 369 7.823 0.573 -3.703 1.00 0.00 C ATOM 377 C ASP A 369 8.982 1.022 -2.824 1.00 0.00 C ATOM 378 O ASP A 369 10.142 0.720 -3.104 1.00 0.00 O ATOM 379 CB ASP A 369 7.432 1.704 -4.656 1.00 0.00 C ATOM 380 CG ASP A 369 7.509 1.219 -6.100 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.816 2.027 -6.961 1.00 0.00 O ATOM 382 OD2 ASP A 369 7.259 0.045 -6.324 1.00 0.00 O ATOM 0 H ASP A 369 5.907 0.862 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 369 8.136 -0.295 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.422 2.046 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.096 2.556 -4.514 1.00 0.00 H new ATOM 387 N ARG A 370 8.658 1.744 -1.758 1.00 0.00 N ATOM 388 CA ARG A 370 9.679 2.231 -0.838 1.00 0.00 C ATOM 389 C ARG A 370 10.205 1.091 0.027 1.00 0.00 C ATOM 390 O ARG A 370 11.400 1.014 0.313 1.00 0.00 O ATOM 391 CB ARG A 370 9.095 3.326 0.058 1.00 0.00 C ATOM 392 CG ARG A 370 8.846 4.586 -0.774 1.00 0.00 C ATOM 393 CD ARG A 370 9.330 5.813 0.000 1.00 0.00 C ATOM 394 NE ARG A 370 10.614 6.265 -0.521 1.00 0.00 N ATOM 395 CZ ARG A 370 10.693 6.940 -1.664 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.611 7.209 -2.338 1.00 0.00 N ATOM 397 NH2 ARG A 370 11.855 7.333 -2.110 1.00 0.00 N ATOM 0 H ARG A 370 7.703 2.004 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 370 10.503 2.641 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.163 2.984 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.781 3.547 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.370 4.514 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 370 7.784 4.681 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.595 6.614 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.424 5.570 1.058 1.00 0.00 H new ATOM 0 HE ARG A 370 11.467 6.060 0.000 1.00 0.00 H new ATOM 0 HH11 ARG A 370 8.703 6.902 -1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 370 9.672 7.727 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 370 12.702 7.122 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 370 11.916 7.851 -2.987 1.00 0.00 H new ATOM 411 N ASN A 371 9.304 0.205 0.441 1.00 0.00 N ATOM 412 CA ASN A 371 9.688 -0.930 1.272 1.00 0.00 C ATOM 413 C ASN A 371 10.553 -1.904 0.482 1.00 0.00 C ATOM 414 O ASN A 371 11.598 -2.349 0.957 1.00 0.00 O ATOM 415 CB ASN A 371 8.437 -1.650 1.782 1.00 0.00 C ATOM 416 CG ASN A 371 8.487 -3.122 1.388 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.182 -3.913 2.026 1.00 0.00 O ATOM 418 ND2 ASN A 371 7.785 -3.539 0.370 1.00 0.00 N ATOM 0 H ASN A 371 8.310 0.251 0.216 1.00 0.00 H new ATOM 0 HA ASN A 371 10.264 -0.558 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.370 -1.557 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.544 -1.184 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 371 7.811 -4.523 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.210 -2.881 -0.157 1.00 0.00 H new ATOM 425 N THR A 372 10.111 -2.235 -0.728 1.00 0.00 N ATOM 426 CA THR A 372 10.857 -3.159 -1.576 1.00 0.00 C ATOM 427 C THR A 372 12.179 -2.538 -2.013 1.00 0.00 C ATOM 428 O THR A 372 13.228 -3.178 -1.945 1.00 0.00 O ATOM 429 CB THR A 372 10.027 -3.521 -2.809 1.00 0.00 C ATOM 430 OG1 THR A 372 9.565 -4.860 -2.692 1.00 0.00 O ATOM 431 CG2 THR A 372 10.890 -3.385 -4.065 1.00 0.00 C ATOM 0 H THR A 372 9.248 -1.881 -1.140 1.00 0.00 H new ATOM 0 HA THR A 372 11.067 -4.061 -1.002 1.00 0.00 H new ATOM 0 HB THR A 372 9.173 -2.847 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.032 -5.092 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.298 -3.643 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.243 -2.358 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.745 -4.057 -3.994 1.00 0.00 H new ATOM 439 N ARG A 373 12.120 -1.288 -2.462 1.00 0.00 N ATOM 440 CA ARG A 373 13.319 -0.589 -2.907 1.00 0.00 C ATOM 441 C ARG A 373 14.326 -0.473 -1.768 1.00 0.00 C ATOM 442 O ARG A 373 15.532 -0.606 -1.976 1.00 0.00 O ATOM 443 CB ARG A 373 12.952 0.807 -3.412 1.00 0.00 C ATOM 444 CG ARG A 373 12.547 0.729 -4.885 1.00 0.00 C ATOM 445 CD ARG A 373 13.716 0.184 -5.708 1.00 0.00 C ATOM 446 NE ARG A 373 13.738 0.807 -7.026 1.00 0.00 N ATOM 447 CZ ARG A 373 13.959 2.110 -7.166 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.161 2.855 -6.112 1.00 0.00 N ATOM 449 NH2 ARG A 373 13.975 2.646 -8.356 1.00 0.00 N ATOM 0 H ARG A 373 11.261 -0.742 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 373 13.771 -1.161 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.133 1.215 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.799 1.482 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 373 11.676 0.084 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.262 1.717 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.656 0.377 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.625 -0.897 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 373 13.581 0.233 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.149 2.437 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 373 14.331 3.855 -6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.818 2.065 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.145 3.646 -8.463 1.00 0.00 H new ATOM 463 N ARG A 374 13.823 -0.224 -0.563 1.00 0.00 N ATOM 464 CA ARG A 374 14.688 -0.090 0.603 1.00 0.00 C ATOM 465 C ARG A 374 15.269 -1.444 0.997 1.00 0.00 C ATOM 466 O ARG A 374 16.424 -1.538 1.412 1.00 0.00 O ATOM 467 CB ARG A 374 13.898 0.490 1.776 1.00 0.00 C ATOM 468 CG ARG A 374 14.126 2.002 1.849 1.00 0.00 C ATOM 469 CD ARG A 374 14.844 2.349 3.153 1.00 0.00 C ATOM 470 NE ARG A 374 13.914 2.958 4.095 1.00 0.00 N ATOM 471 CZ ARG A 374 13.294 4.098 3.810 1.00 0.00 C ATOM 472 NH1 ARG A 374 13.513 4.692 2.670 1.00 0.00 N ATOM 473 NH2 ARG A 374 12.463 4.623 4.669 1.00 0.00 N ATOM 0 H ARG A 374 12.828 -0.112 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 374 15.506 0.584 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.836 0.277 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.212 0.019 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.719 2.332 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.172 2.527 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.276 1.448 3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.668 3.033 2.951 1.00 0.00 H new ATOM 0 HE ARG A 374 13.736 2.501 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 374 14.160 4.281 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 374 13.037 5.567 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 374 12.289 4.158 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 374 11.988 5.498 4.449 1.00 0.00 H new ATOM 487 N MET A 375 14.459 -2.491 0.866 1.00 0.00 N ATOM 488 CA MET A 375 14.906 -3.835 1.214 1.00 0.00 C ATOM 489 C MET A 375 15.761 -4.425 0.099 1.00 0.00 C ATOM 490 O MET A 375 16.631 -5.260 0.345 1.00 0.00 O ATOM 491 CB MET A 375 13.696 -4.739 1.466 1.00 0.00 C ATOM 492 CG MET A 375 12.929 -4.237 2.691 1.00 0.00 C ATOM 493 SD MET A 375 13.279 -5.315 4.103 1.00 0.00 S ATOM 494 CE MET A 375 13.730 -4.013 5.275 1.00 0.00 C ATOM 0 H MET A 375 13.499 -2.436 0.525 1.00 0.00 H new ATOM 0 HA MET A 375 15.508 -3.772 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.044 -4.744 0.592 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.023 -5.767 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.220 -3.212 2.921 1.00 0.00 H new ATOM 0 HG3 MET A 375 11.859 -4.226 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.989 -4.461 6.235 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.586 -3.458 4.891 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.887 -3.334 5.407 1.00 0.00 H new ATOM 504 N ARG A 376 15.507 -3.982 -1.125 1.00 0.00 N ATOM 505 CA ARG A 376 16.259 -4.469 -2.275 1.00 0.00 C ATOM 506 C ARG A 376 17.665 -3.875 -2.286 1.00 0.00 C ATOM 507 O ARG A 376 18.649 -4.589 -2.480 1.00 0.00 O ATOM 508 CB ARG A 376 15.534 -4.099 -3.572 1.00 0.00 C ATOM 509 CG ARG A 376 16.110 -2.797 -4.129 1.00 0.00 C ATOM 510 CD ARG A 376 15.472 -2.496 -5.487 1.00 0.00 C ATOM 511 NE ARG A 376 14.135 -3.075 -5.554 1.00 0.00 N ATOM 512 CZ ARG A 376 13.591 -3.412 -6.719 1.00 0.00 C ATOM 513 NH1 ARG A 376 14.255 -3.227 -7.827 1.00 0.00 N ATOM 514 NH2 ARG A 376 12.393 -3.930 -6.754 1.00 0.00 N ATOM 0 H ARG A 376 14.791 -3.291 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 376 16.336 -5.554 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.645 -4.900 -4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 376 14.466 -3.985 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 376 15.920 -1.977 -3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 376 17.192 -2.881 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 376 15.418 -1.418 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 376 16.092 -2.901 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 376 13.609 -3.224 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 376 15.192 -2.824 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 376 13.838 -3.486 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 376 11.875 -4.076 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 376 11.975 -4.189 -7.648 1.00 0.00 H new ATOM 528 N ARG A 377 17.750 -2.565 -2.075 1.00 0.00 N ATOM 529 CA ARG A 377 19.041 -1.886 -2.062 1.00 0.00 C ATOM 530 C ARG A 377 19.889 -2.371 -0.893 1.00 0.00 C ATOM 531 O ARG A 377 21.111 -2.228 -0.896 1.00 0.00 O ATOM 532 CB ARG A 377 18.837 -0.373 -1.957 1.00 0.00 C ATOM 533 CG ARG A 377 18.350 -0.020 -0.550 1.00 0.00 C ATOM 534 CD ARG A 377 17.977 1.462 -0.496 1.00 0.00 C ATOM 535 NE ARG A 377 19.131 2.286 -0.842 1.00 0.00 N ATOM 536 CZ ARG A 377 20.039 2.612 0.070 1.00 0.00 C ATOM 537 NH1 ARG A 377 19.911 2.194 1.300 1.00 0.00 N ATOM 538 NH2 ARG A 377 21.063 3.350 -0.265 1.00 0.00 N ATOM 0 H ARG A 377 16.948 -1.957 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 377 19.560 -2.116 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 377 19.771 0.146 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.111 -0.041 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 377 17.487 -0.633 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.129 -0.237 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.157 1.663 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 377 17.624 1.719 0.503 1.00 0.00 H new ATOM 0 HE ARG A 377 19.242 2.617 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 377 19.112 1.616 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 377 20.610 2.445 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 377 21.164 3.675 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 377 21.761 3.601 0.435 1.00 0.00 H new ATOM 552 N LEU A 378 19.228 -2.943 0.103 1.00 0.00 N ATOM 553 CA LEU A 378 19.925 -3.450 1.279 1.00 0.00 C ATOM 554 C LEU A 378 20.356 -4.898 1.066 1.00 0.00 C ATOM 555 O LEU A 378 20.622 -5.624 2.024 1.00 0.00 O ATOM 556 CB LEU A 378 19.012 -3.363 2.504 1.00 0.00 C ATOM 557 CG LEU A 378 19.738 -2.628 3.633 1.00 0.00 C ATOM 558 CD1 LEU A 378 19.122 -1.241 3.818 1.00 0.00 C ATOM 559 CD2 LEU A 378 19.599 -3.425 4.931 1.00 0.00 C ATOM 0 H LEU A 378 18.216 -3.068 0.122 1.00 0.00 H new ATOM 0 HA LEU A 378 20.813 -2.840 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 378 18.091 -2.839 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 378 18.728 -4.363 2.831 1.00 0.00 H new ATOM 0 HG LEU A 378 20.793 -2.525 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 378 19.639 -0.718 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 378 19.220 -0.673 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 378 18.067 -1.342 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 378 20.116 -2.902 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 378 18.544 -3.528 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 378 20.038 -4.414 4.800 1.00 0.00 H new ATOM 571 N ALA A 379 20.423 -5.308 -0.196 1.00 0.00 N ATOM 572 CA ALA A 379 20.824 -6.672 -0.524 1.00 0.00 C ATOM 573 C ALA A 379 20.411 -7.024 -1.951 1.00 0.00 C ATOM 574 O ALA A 379 19.250 -6.867 -2.326 1.00 0.00 O ATOM 575 CB ALA A 379 20.177 -7.656 0.453 1.00 0.00 C ATOM 0 H ALA A 379 20.207 -4.722 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 379 21.909 -6.741 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 379 20.481 -8.672 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 379 20.496 -7.423 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 379 19.092 -7.575 0.386 1.00 0.00 H new ATOM 581 N ASN A 380 21.369 -7.499 -2.737 1.00 0.00 N ATOM 582 CA ASN A 380 21.094 -7.870 -4.121 1.00 0.00 C ATOM 583 C ASN A 380 22.014 -9.002 -4.567 1.00 0.00 C ATOM 584 O ASN A 380 23.129 -9.144 -4.063 1.00 0.00 O ATOM 585 CB ASN A 380 21.293 -6.659 -5.036 1.00 0.00 C ATOM 586 CG ASN A 380 20.485 -6.835 -6.317 1.00 0.00 C ATOM 587 OD1 ASN A 380 19.892 -7.892 -6.538 1.00 0.00 O ATOM 588 ND2 ASN A 380 20.426 -5.858 -7.180 1.00 0.00 N ATOM 0 H ASN A 380 22.336 -7.636 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 380 20.060 -8.210 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 380 20.982 -5.750 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 380 22.350 -6.544 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 380 19.888 -5.969 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 380 20.918 -4.984 -6.995 1.00 0.00 H new ATOM 595 N THR A 381 21.540 -9.805 -5.513 1.00 0.00 N ATOM 596 CA THR A 381 22.330 -10.922 -6.020 1.00 0.00 C ATOM 597 C THR A 381 22.383 -10.893 -7.544 1.00 0.00 C ATOM 598 O THR A 381 22.520 -9.831 -8.149 1.00 0.00 O ATOM 599 CB THR A 381 21.719 -12.245 -5.553 1.00 0.00 C ATOM 600 OG1 THR A 381 22.568 -13.318 -5.937 1.00 0.00 O ATOM 601 CG2 THR A 381 20.341 -12.428 -6.191 1.00 0.00 C ATOM 0 H THR A 381 20.620 -9.705 -5.942 1.00 0.00 H new ATOM 0 HA THR A 381 23.345 -10.832 -5.632 1.00 0.00 H new ATOM 0 HB THR A 381 21.614 -12.234 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 381 22.179 -14.166 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 381 19.908 -13.371 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 381 19.691 -11.605 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 381 20.441 -12.439 -7.276 1.00 0.00 H new ATOM 609 N ALA A 382 22.273 -12.067 -8.157 1.00 0.00 N ATOM 610 CA ALA A 382 22.311 -12.165 -9.611 1.00 0.00 C ATOM 611 C ALA A 382 23.722 -11.905 -10.129 1.00 0.00 C ATOM 612 O ALA A 382 24.409 -10.996 -9.663 1.00 0.00 O ATOM 613 CB ALA A 382 21.345 -11.153 -10.228 1.00 0.00 C ATOM 0 H ALA A 382 22.158 -12.958 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 382 22.011 -13.174 -9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 382 21.380 -11.233 -11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 382 20.332 -11.358 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 382 21.634 -10.145 -9.929 1.00 0.00 H new ATOM 619 N PRO A 383 24.157 -12.687 -11.080 1.00 0.00 N ATOM 620 CA PRO A 383 25.515 -12.549 -11.680 1.00 0.00 C ATOM 621 C PRO A 383 25.621 -11.324 -12.585 1.00 0.00 C ATOM 622 O PRO A 383 25.798 -11.450 -13.797 1.00 0.00 O ATOM 623 CB PRO A 383 25.690 -13.838 -12.484 1.00 0.00 C ATOM 624 CG PRO A 383 24.305 -14.296 -12.808 1.00 0.00 C ATOM 625 CD PRO A 383 23.398 -13.791 -11.685 1.00 0.00 C ATOM 0 HA PRO A 383 26.285 -12.408 -10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 383 26.267 -13.660 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 383 26.228 -14.591 -11.907 1.00 0.00 H new ATOM 0 HG2 PRO A 383 23.983 -13.902 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 383 24.264 -15.383 -12.879 1.00 0.00 H new ATOM 0 HD2 PRO A 383 22.438 -13.450 -12.071 1.00 0.00 H new ATOM 0 HD3 PRO A 383 23.189 -14.576 -10.958 1.00 0.00 H new ATOM 633 N ALA A 384 25.512 -10.141 -11.988 1.00 0.00 N ATOM 634 CA ALA A 384 25.596 -8.900 -12.750 1.00 0.00 C ATOM 635 C ALA A 384 24.275 -8.613 -13.455 1.00 0.00 C ATOM 636 O ALA A 384 23.595 -9.529 -13.917 1.00 0.00 O ATOM 637 CB ALA A 384 26.718 -8.999 -13.786 1.00 0.00 C ATOM 0 H ALA A 384 25.366 -10.016 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 384 25.810 -8.085 -12.059 1.00 0.00 H new ATOM 0 HB1 ALA A 384 26.775 -8.069 -14.351 1.00 0.00 H new ATOM 0 HB2 ALA A 384 27.667 -9.174 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 384 26.513 -9.825 -14.467 1.00 0.00 H new ATOM 643 N TRP A 385 23.917 -7.335 -13.532 1.00 0.00 N ATOM 644 CA TRP A 385 22.674 -6.938 -14.183 1.00 0.00 C ATOM 645 C TRP A 385 22.370 -7.858 -15.361 1.00 0.00 C ATOM 646 O TRP A 385 21.302 -8.449 -15.366 1.00 0.00 O ATOM 647 CB TRP A 385 22.780 -5.493 -14.674 1.00 0.00 C ATOM 648 CG TRP A 385 21.412 -4.896 -14.763 1.00 0.00 C ATOM 649 CD1 TRP A 385 20.407 -5.125 -13.888 1.00 0.00 C ATOM 650 CD2 TRP A 385 20.884 -3.979 -15.764 1.00 0.00 C ATOM 651 NE1 TRP A 385 19.294 -4.406 -14.287 1.00 0.00 N ATOM 652 CE2 TRP A 385 19.539 -3.683 -15.438 1.00 0.00 C ATOM 653 CE3 TRP A 385 21.435 -3.379 -16.911 1.00 0.00 C ATOM 654 CZ2 TRP A 385 18.767 -2.825 -16.223 1.00 0.00 C ATOM 655 CZ3 TRP A 385 20.662 -2.515 -17.704 1.00 0.00 C ATOM 656 CH2 TRP A 385 19.331 -2.239 -17.360 1.00 0.00 C ATOM 0 H TRP A 385 24.465 -6.562 -13.155 1.00 0.00 H new ATOM 0 HA TRP A 385 21.864 -7.016 -13.458 1.00 0.00 H new ATOM 0 HB2 TRP A 385 23.399 -4.910 -13.992 1.00 0.00 H new ATOM 0 HB3 TRP A 385 23.266 -5.464 -15.649 1.00 0.00 H new ATOM 0 HD1 TRP A 385 20.464 -5.765 -13.020 1.00 0.00 H new ATOM 0 HE1 TRP A 385 18.402 -4.410 -13.792 1.00 0.00 H new ATOM 0 HE3 TRP A 385 22.460 -3.584 -17.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 17.742 -2.616 -15.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 21.095 -2.061 -18.583 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.742 -1.574 -17.973 1.00 0.00 H new TER 667 TRP A 385