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 Set 1.1: A 372 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 349 SER OG : rot 180:sc= -1.01 USER MOD Single : A 350 MET CE :methyl -154:sc= -0.114 (180deg=-1.79) USER MOD Single : A 355 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0.0146 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 371 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.022) USER MOD Single : A 380 ASN : amide:sc= -2.35! C(o=-2.3!,f=-9.3!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -23.463 -22.086 -10.727 1.00 0.00 N ATOM 2 CA GLY A 345 -22.771 -20.781 -10.923 1.00 0.00 C ATOM 3 C GLY A 345 -21.645 -20.644 -9.903 1.00 0.00 C ATOM 4 O GLY A 345 -21.829 -20.921 -8.718 1.00 0.00 O ATOM 0 HA2 GLY A 345 -22.369 -20.719 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -23.480 -19.961 -10.810 1.00 0.00 H new ATOM 8 N PRO A 346 -20.493 -20.221 -10.346 1.00 0.00 N ATOM 9 CA PRO A 346 -19.306 -20.039 -9.463 1.00 0.00 C ATOM 10 C PRO A 346 -19.448 -18.822 -8.552 1.00 0.00 C ATOM 11 O PRO A 346 -18.802 -18.736 -7.508 1.00 0.00 O ATOM 12 CB PRO A 346 -18.147 -19.855 -10.444 1.00 0.00 C ATOM 13 CG PRO A 346 -18.767 -19.332 -11.697 1.00 0.00 C ATOM 14 CD PRO A 346 -20.197 -19.871 -11.743 1.00 0.00 C ATOM 0 HA PRO A 346 -19.166 -20.883 -8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -17.407 -19.158 -10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -17.632 -20.798 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -18.765 -18.242 -11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -18.203 -19.657 -12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -20.893 -19.123 -12.123 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -20.275 -20.740 -12.397 1.00 0.00 H new ATOM 22 N LEU A 347 -20.297 -17.883 -8.956 1.00 0.00 N ATOM 23 CA LEU A 347 -20.516 -16.675 -8.170 1.00 0.00 C ATOM 24 C LEU A 347 -21.809 -16.783 -7.370 1.00 0.00 C ATOM 25 O LEU A 347 -22.658 -17.629 -7.653 1.00 0.00 O ATOM 26 CB LEU A 347 -20.585 -15.457 -9.092 1.00 0.00 C ATOM 27 CG LEU A 347 -19.283 -15.343 -9.887 1.00 0.00 C ATOM 28 CD1 LEU A 347 -19.498 -14.426 -11.092 1.00 0.00 C ATOM 29 CD2 LEU A 347 -18.189 -14.757 -8.990 1.00 0.00 C ATOM 0 H LEU A 347 -20.841 -17.934 -9.817 1.00 0.00 H new ATOM 0 HA LEU A 347 -19.682 -16.559 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -21.432 -15.550 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -20.746 -14.552 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 347 -18.981 -16.332 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -18.570 -14.345 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -20.278 -14.841 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -19.800 -13.437 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -17.260 -14.675 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -18.492 -13.769 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -18.035 -15.410 -8.131 1.00 0.00 H new ATOM 41 N GLY A 348 -21.954 -15.921 -6.368 1.00 0.00 N ATOM 42 CA GLY A 348 -23.150 -15.929 -5.533 1.00 0.00 C ATOM 43 C GLY A 348 -22.868 -15.305 -4.171 1.00 0.00 C ATOM 44 O GLY A 348 -23.780 -14.838 -3.490 1.00 0.00 O ATOM 0 H GLY A 348 -21.264 -15.213 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -23.949 -15.380 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -23.500 -16.953 -5.403 1.00 0.00 H new ATOM 48 N SER A 349 -21.597 -15.299 -3.780 1.00 0.00 N ATOM 49 CA SER A 349 -21.206 -14.728 -2.496 1.00 0.00 C ATOM 50 C SER A 349 -20.640 -13.325 -2.685 1.00 0.00 C ATOM 51 O SER A 349 -20.163 -12.976 -3.765 1.00 0.00 O ATOM 52 CB SER A 349 -20.157 -15.618 -1.829 1.00 0.00 C ATOM 53 OG SER A 349 -19.200 -14.801 -1.168 1.00 0.00 O ATOM 0 H SER A 349 -20.826 -15.680 -4.329 1.00 0.00 H new ATOM 0 HA SER A 349 -22.089 -14.668 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 349 -20.634 -16.290 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 349 -19.666 -16.243 -2.575 1.00 0.00 H new ATOM 0 HG SER A 349 -18.527 -15.369 -0.738 1.00 0.00 H new ATOM 59 N MET A 350 -20.695 -12.523 -1.626 1.00 0.00 N ATOM 60 CA MET A 350 -20.185 -11.158 -1.686 1.00 0.00 C ATOM 61 C MET A 350 -19.032 -10.974 -0.705 1.00 0.00 C ATOM 62 O MET A 350 -19.187 -10.338 0.338 1.00 0.00 O ATOM 63 CB MET A 350 -21.303 -10.167 -1.356 1.00 0.00 C ATOM 64 CG MET A 350 -21.358 -9.082 -2.433 1.00 0.00 C ATOM 65 SD MET A 350 -22.868 -9.278 -3.410 1.00 0.00 S ATOM 66 CE MET A 350 -22.407 -10.822 -4.234 1.00 0.00 C ATOM 0 H MET A 350 -21.085 -12.792 -0.723 1.00 0.00 H new ATOM 0 HA MET A 350 -19.821 -10.970 -2.696 1.00 0.00 H new ATOM 0 HB2 MET A 350 -22.259 -10.687 -1.300 1.00 0.00 H new ATOM 0 HB3 MET A 350 -21.127 -9.716 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 350 -21.336 -8.095 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 350 -20.483 -9.151 -3.079 1.00 0.00 H new ATOM 0 HE1 MET A 350 -22.934 -10.898 -5.185 1.00 0.00 H new ATOM 0 HE2 MET A 350 -21.332 -10.832 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 350 -22.677 -11.667 -3.601 1.00 0.00 H new ATOM 76 N PRO A 351 -17.890 -11.517 -1.024 1.00 0.00 N ATOM 77 CA PRO A 351 -16.679 -11.418 -0.160 1.00 0.00 C ATOM 78 C PRO A 351 -16.424 -9.988 0.311 1.00 0.00 C ATOM 79 O PRO A 351 -17.294 -9.124 0.202 1.00 0.00 O ATOM 80 CB PRO A 351 -15.546 -11.905 -1.065 1.00 0.00 C ATOM 81 CG PRO A 351 -16.197 -12.793 -2.074 1.00 0.00 C ATOM 82 CD PRO A 351 -17.631 -12.289 -2.248 1.00 0.00 C ATOM 0 HA PRO A 351 -16.780 -12.003 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -15.041 -11.068 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -14.792 -12.446 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -15.659 -12.761 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -16.190 -13.830 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -17.730 -11.669 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -18.334 -13.115 -2.355 1.00 0.00 H new ATOM 90 N LEU A 352 -15.227 -9.747 0.837 1.00 0.00 N ATOM 91 CA LEU A 352 -14.870 -8.420 1.321 1.00 0.00 C ATOM 92 C LEU A 352 -13.729 -7.836 0.494 1.00 0.00 C ATOM 93 O LEU A 352 -12.861 -7.139 1.020 1.00 0.00 O ATOM 94 CB LEU A 352 -14.450 -8.495 2.790 1.00 0.00 C ATOM 95 CG LEU A 352 -15.256 -7.482 3.605 1.00 0.00 C ATOM 96 CD1 LEU A 352 -16.705 -7.958 3.721 1.00 0.00 C ATOM 97 CD2 LEU A 352 -14.648 -7.356 5.004 1.00 0.00 C ATOM 0 H LEU A 352 -14.493 -10.448 0.938 1.00 0.00 H new ATOM 0 HA LEU A 352 -15.742 -7.773 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -14.615 -9.501 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -13.384 -8.288 2.885 1.00 0.00 H new ATOM 0 HG LEU A 352 -15.231 -6.512 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -17.280 -7.236 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -17.139 -8.050 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -16.731 -8.927 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -15.221 -6.634 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -14.674 -8.326 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -13.615 -7.018 4.923 1.00 0.00 H new ATOM 109 N LEU A 353 -13.736 -8.126 -0.804 1.00 0.00 N ATOM 110 CA LEU A 353 -12.700 -7.628 -1.695 1.00 0.00 C ATOM 111 C LEU A 353 -13.317 -6.848 -2.848 1.00 0.00 C ATOM 112 O LEU A 353 -13.688 -7.420 -3.873 1.00 0.00 O ATOM 113 CB LEU A 353 -11.884 -8.792 -2.247 1.00 0.00 C ATOM 114 CG LEU A 353 -12.697 -10.083 -2.144 1.00 0.00 C ATOM 115 CD1 LEU A 353 -12.276 -11.044 -3.257 1.00 0.00 C ATOM 116 CD2 LEU A 353 -12.444 -10.737 -0.785 1.00 0.00 C ATOM 0 H LEU A 353 -14.446 -8.701 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 353 -12.048 -6.964 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -11.616 -8.601 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -10.952 -8.892 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 353 -13.757 -9.852 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -12.856 -11.964 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -12.456 -10.579 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -11.215 -11.275 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -13.023 -11.657 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -11.383 -10.967 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -12.745 -10.054 0.009 1.00 0.00 H new ATOM 128 N GLU A 354 -13.423 -5.538 -2.671 1.00 0.00 N ATOM 129 CA GLU A 354 -13.996 -4.679 -3.699 1.00 0.00 C ATOM 130 C GLU A 354 -12.898 -3.912 -4.428 1.00 0.00 C ATOM 131 O GLU A 354 -11.861 -4.475 -4.777 1.00 0.00 O ATOM 132 CB GLU A 354 -14.978 -3.693 -3.064 1.00 0.00 C ATOM 133 CG GLU A 354 -16.094 -4.466 -2.359 1.00 0.00 C ATOM 134 CD GLU A 354 -17.153 -3.498 -1.841 1.00 0.00 C ATOM 135 OE1 GLU A 354 -17.261 -3.359 -0.634 1.00 0.00 O ATOM 136 OE2 GLU A 354 -17.840 -2.910 -2.660 1.00 0.00 O ATOM 0 H GLU A 354 -13.121 -5.048 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 354 -14.524 -5.304 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -14.458 -3.054 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -15.400 -3.041 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -16.547 -5.178 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -15.681 -5.043 -1.532 1.00 0.00 H new ATOM 143 N THR A 355 -13.134 -2.624 -4.653 1.00 0.00 N ATOM 144 CA THR A 355 -12.158 -1.788 -5.342 1.00 0.00 C ATOM 145 C THR A 355 -11.965 -0.469 -4.600 1.00 0.00 C ATOM 146 O THR A 355 -12.853 -0.014 -3.881 1.00 0.00 O ATOM 147 CB THR A 355 -12.625 -1.508 -6.772 1.00 0.00 C ATOM 148 OG1 THR A 355 -11.796 -0.512 -7.353 1.00 0.00 O ATOM 149 CG2 THR A 355 -14.075 -1.020 -6.750 1.00 0.00 C ATOM 0 H THR A 355 -13.986 -2.139 -4.371 1.00 0.00 H new ATOM 0 HA THR A 355 -11.207 -2.320 -5.369 1.00 0.00 H new ATOM 0 HB THR A 355 -12.561 -2.423 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 355 -12.093 -0.333 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 355 -14.407 -0.821 -7.769 1.00 0.00 H new ATOM 0 HG22 THR A 355 -14.710 -1.786 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 355 -14.142 -0.105 -6.161 1.00 0.00 H new ATOM 157 N LEU A 356 -10.797 0.140 -4.782 1.00 0.00 N ATOM 158 CA LEU A 356 -10.497 1.405 -4.126 1.00 0.00 C ATOM 159 C LEU A 356 -10.332 2.514 -5.160 1.00 0.00 C ATOM 160 O LEU A 356 -10.738 2.367 -6.313 1.00 0.00 O ATOM 161 CB LEU A 356 -9.215 1.274 -3.304 1.00 0.00 C ATOM 162 CG LEU A 356 -9.568 0.918 -1.858 1.00 0.00 C ATOM 163 CD1 LEU A 356 -10.835 0.060 -1.836 1.00 0.00 C ATOM 164 CD2 LEU A 356 -8.412 0.133 -1.232 1.00 0.00 C ATOM 0 H LEU A 356 -10.049 -0.220 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.326 1.659 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.573 0.504 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -8.655 2.209 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 356 -9.740 1.833 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -11.085 -0.193 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -11.659 0.616 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -10.665 -0.855 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -8.661 -0.122 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -8.243 -0.781 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -7.508 0.742 -1.247 1.00 0.00 H new ATOM 176 N THR A 357 -9.735 3.620 -4.738 1.00 0.00 N ATOM 177 CA THR A 357 -9.520 4.751 -5.632 1.00 0.00 C ATOM 178 C THR A 357 -8.049 4.853 -6.021 1.00 0.00 C ATOM 179 O THR A 357 -7.262 3.944 -5.759 1.00 0.00 O ATOM 180 CB THR A 357 -9.961 6.048 -4.951 1.00 0.00 C ATOM 181 OG1 THR A 357 -9.021 6.397 -3.945 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.340 5.850 -4.317 1.00 0.00 C ATOM 0 H THR A 357 -9.392 3.759 -3.787 1.00 0.00 H new ATOM 0 HA THR A 357 -10.113 4.595 -6.533 1.00 0.00 H new ATOM 0 HB THR A 357 -10.015 6.847 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.302 7.229 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.654 6.774 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 357 -12.061 5.583 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.289 5.051 -3.577 1.00 0.00 H new ATOM 190 N ASP A 358 -7.688 5.966 -6.647 1.00 0.00 N ATOM 191 CA ASP A 358 -6.308 6.181 -7.071 1.00 0.00 C ATOM 192 C ASP A 358 -5.421 6.495 -5.874 1.00 0.00 C ATOM 193 O ASP A 358 -4.216 6.247 -5.896 1.00 0.00 O ATOM 194 CB ASP A 358 -6.242 7.334 -8.075 1.00 0.00 C ATOM 195 CG ASP A 358 -5.358 6.947 -9.255 1.00 0.00 C ATOM 196 OD1 ASP A 358 -4.186 7.286 -9.229 1.00 0.00 O ATOM 197 OD2 ASP A 358 -5.865 6.315 -10.169 1.00 0.00 O ATOM 0 H ASP A 358 -8.326 6.730 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.948 5.267 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -7.244 7.579 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.846 8.227 -7.591 1.00 0.00 H new ATOM 202 N ALA A 359 -6.029 7.042 -4.831 1.00 0.00 N ATOM 203 CA ALA A 359 -5.290 7.391 -3.623 1.00 0.00 C ATOM 204 C ALA A 359 -4.796 6.135 -2.913 1.00 0.00 C ATOM 205 O ALA A 359 -3.626 6.038 -2.542 1.00 0.00 O ATOM 206 CB ALA A 359 -6.185 8.194 -2.677 1.00 0.00 C ATOM 0 H ALA A 359 -7.026 7.253 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.429 7.995 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.626 8.451 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.512 9.107 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -7.055 7.597 -2.405 1.00 0.00 H new ATOM 212 N GLU A 360 -5.694 5.174 -2.728 1.00 0.00 N ATOM 213 CA GLU A 360 -5.340 3.928 -2.062 1.00 0.00 C ATOM 214 C GLU A 360 -4.329 3.142 -2.891 1.00 0.00 C ATOM 215 O GLU A 360 -3.335 2.642 -2.364 1.00 0.00 O ATOM 216 CB GLU A 360 -6.590 3.082 -1.845 1.00 0.00 C ATOM 217 CG GLU A 360 -7.259 3.488 -0.531 1.00 0.00 C ATOM 218 CD GLU A 360 -7.613 2.247 0.280 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.701 1.520 0.641 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.790 2.040 0.529 1.00 0.00 O ATOM 0 H GLU A 360 -6.667 5.234 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.891 4.169 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.283 3.218 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.327 2.025 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.591 4.129 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.159 4.068 -0.736 1.00 0.00 H new ATOM 227 N MET A 361 -4.588 3.038 -4.190 1.00 0.00 N ATOM 228 CA MET A 361 -3.693 2.312 -5.082 1.00 0.00 C ATOM 229 C MET A 361 -2.297 2.926 -5.057 1.00 0.00 C ATOM 230 O MET A 361 -1.297 2.215 -4.955 1.00 0.00 O ATOM 231 CB MET A 361 -4.241 2.342 -6.510 1.00 0.00 C ATOM 232 CG MET A 361 -3.575 3.479 -7.289 1.00 0.00 C ATOM 233 SD MET A 361 -4.174 3.473 -8.997 1.00 0.00 S ATOM 234 CE MET A 361 -2.642 4.037 -9.777 1.00 0.00 C ATOM 0 H MET A 361 -5.405 3.444 -4.646 1.00 0.00 H new ATOM 0 HA MET A 361 -3.629 1.279 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.051 1.389 -7.004 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.322 2.483 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.798 4.436 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.492 3.360 -7.272 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.787 4.106 -10.855 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.373 5.017 -9.383 1.00 0.00 H new ATOM 0 HE3 MET A 361 -1.842 3.328 -9.563 1.00 0.00 H new ATOM 244 N GLU A 362 -2.238 4.251 -5.149 1.00 0.00 N ATOM 245 CA GLU A 362 -0.958 4.950 -5.135 1.00 0.00 C ATOM 246 C GLU A 362 -0.300 4.833 -3.764 1.00 0.00 C ATOM 247 O GLU A 362 0.926 4.803 -3.654 1.00 0.00 O ATOM 248 CB GLU A 362 -1.166 6.426 -5.480 1.00 0.00 C ATOM 249 CG GLU A 362 -1.197 6.596 -6.999 1.00 0.00 C ATOM 250 CD GLU A 362 -0.846 8.033 -7.370 1.00 0.00 C ATOM 251 OE1 GLU A 362 -0.661 8.292 -8.548 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.768 8.853 -6.471 1.00 0.00 O ATOM 0 H GLU A 362 -3.054 4.857 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.306 4.492 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -2.099 6.784 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.363 7.027 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.491 5.909 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.186 6.344 -7.381 1.00 0.00 H new ATOM 259 N LYS A 363 -1.122 4.768 -2.722 1.00 0.00 N ATOM 260 CA LYS A 363 -0.609 4.655 -1.362 1.00 0.00 C ATOM 261 C LYS A 363 0.124 3.330 -1.175 1.00 0.00 C ATOM 262 O LYS A 363 1.249 3.297 -0.676 1.00 0.00 O ATOM 263 CB LYS A 363 -1.760 4.749 -0.359 1.00 0.00 C ATOM 264 CG LYS A 363 -1.443 5.819 0.686 1.00 0.00 C ATOM 265 CD LYS A 363 -0.824 5.162 1.920 1.00 0.00 C ATOM 266 CE LYS A 363 0.588 5.711 2.139 1.00 0.00 C ATOM 267 NZ LYS A 363 0.595 6.600 3.335 1.00 0.00 N ATOM 0 H LYS A 363 -2.139 4.791 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 363 0.090 5.473 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.687 4.995 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.912 3.785 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.756 6.556 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.352 6.352 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.441 5.357 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.789 4.080 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 363 1.291 4.890 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.915 6.265 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.554 6.973 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.064 7.390 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.300 6.058 4.172 1.00 0.00 H new ATOM 281 N LYS A 364 -0.521 2.240 -1.580 1.00 0.00 N ATOM 282 CA LYS A 364 0.080 0.918 -1.452 1.00 0.00 C ATOM 283 C LYS A 364 1.297 0.793 -2.362 1.00 0.00 C ATOM 284 O LYS A 364 2.354 0.324 -1.939 1.00 0.00 O ATOM 285 CB LYS A 364 -0.946 -0.158 -1.817 1.00 0.00 C ATOM 286 CG LYS A 364 -0.671 -0.667 -3.233 1.00 0.00 C ATOM 287 CD LYS A 364 -1.708 -1.730 -3.603 1.00 0.00 C ATOM 288 CE LYS A 364 -1.377 -2.308 -4.981 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.605 -2.316 -5.824 1.00 0.00 N ATOM 0 H LYS A 364 -1.452 2.246 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 364 0.398 0.781 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.892 -0.983 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.955 0.251 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -0.712 0.159 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 364 0.333 -1.087 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -1.714 -2.524 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.706 -1.292 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -0.599 -1.713 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -0.987 -3.321 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.381 -2.709 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -3.335 -2.901 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -2.958 -1.344 -5.932 1.00 0.00 H new ATOM 303 N ILE A 365 1.141 1.214 -3.614 1.00 0.00 N ATOM 304 CA ILE A 365 2.235 1.143 -4.574 1.00 0.00 C ATOM 305 C ILE A 365 3.447 1.917 -4.066 1.00 0.00 C ATOM 306 O ILE A 365 4.573 1.422 -4.106 1.00 0.00 O ATOM 307 CB ILE A 365 1.787 1.718 -5.916 1.00 0.00 C ATOM 308 CG1 ILE A 365 1.051 0.637 -6.712 1.00 0.00 C ATOM 309 CG2 ILE A 365 3.010 2.189 -6.706 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.436 0.739 -8.189 1.00 0.00 C ATOM 0 H ILE A 365 0.275 1.605 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 365 2.515 0.097 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 365 1.120 2.563 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.306 -0.350 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.026 0.756 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.689 2.599 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.535 2.958 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.679 1.346 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.912 -0.031 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.159 1.722 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.512 0.599 -8.295 1.00 0.00 H new ATOM 322 N ARG A 366 3.207 3.132 -3.588 1.00 0.00 N ATOM 323 CA ARG A 366 4.284 3.967 -3.072 1.00 0.00 C ATOM 324 C ARG A 366 4.966 3.291 -1.888 1.00 0.00 C ATOM 325 O ARG A 366 6.190 3.168 -1.849 1.00 0.00 O ATOM 326 CB ARG A 366 3.732 5.326 -2.640 1.00 0.00 C ATOM 327 CG ARG A 366 3.457 6.184 -3.876 1.00 0.00 C ATOM 328 CD ARG A 366 4.764 6.810 -4.365 1.00 0.00 C ATOM 329 NE ARG A 366 5.005 6.452 -5.759 1.00 0.00 N ATOM 330 CZ ARG A 366 4.452 7.142 -6.751 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.678 8.159 -6.486 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.683 6.802 -7.989 1.00 0.00 N ATOM 0 H ARG A 366 2.282 3.559 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 366 5.018 4.111 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.815 5.192 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.445 5.829 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.017 5.574 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.735 6.965 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.716 7.894 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 366 5.593 6.468 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 366 5.608 5.659 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 366 3.498 8.424 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.253 8.689 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 366 5.288 6.007 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 366 4.259 7.331 -8.751 1.00 0.00 H new ATOM 346 N ASP A 367 4.164 2.855 -0.923 1.00 0.00 N ATOM 347 CA ASP A 367 4.698 2.192 0.260 1.00 0.00 C ATOM 348 C ASP A 367 5.446 0.922 -0.131 1.00 0.00 C ATOM 349 O ASP A 367 6.541 0.656 0.366 1.00 0.00 O ATOM 350 CB ASP A 367 3.561 1.842 1.220 1.00 0.00 C ATOM 351 CG ASP A 367 4.096 1.725 2.643 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.887 2.649 3.412 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.706 0.713 2.944 1.00 0.00 O ATOM 0 H ASP A 367 3.148 2.948 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 367 5.392 2.872 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.788 2.609 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.096 0.903 0.919 1.00 0.00 H new ATOM 358 N GLN A 368 4.849 0.140 -1.024 1.00 0.00 N ATOM 359 CA GLN A 368 5.468 -1.101 -1.475 1.00 0.00 C ATOM 360 C GLN A 368 6.739 -0.808 -2.263 1.00 0.00 C ATOM 361 O GLN A 368 7.654 -1.629 -2.314 1.00 0.00 O ATOM 362 CB GLN A 368 4.490 -1.887 -2.349 1.00 0.00 C ATOM 363 CG GLN A 368 4.994 -1.900 -3.794 1.00 0.00 C ATOM 364 CD GLN A 368 4.048 -2.714 -4.670 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.409 -3.105 -5.779 1.00 0.00 O ATOM 366 NE2 GLN A 368 2.849 -2.992 -4.236 1.00 0.00 N ATOM 0 H GLN A 368 3.943 0.341 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 368 5.727 -1.696 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.393 -2.907 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.499 -1.435 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.065 -0.880 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.997 -2.326 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.551 -2.667 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 368 2.209 -3.534 -4.817 1.00 0.00 H new ATOM 375 N ASP A 369 6.784 0.367 -2.876 1.00 0.00 N ATOM 376 CA ASP A 369 7.947 0.764 -3.662 1.00 0.00 C ATOM 377 C ASP A 369 9.112 1.126 -2.749 1.00 0.00 C ATOM 378 O ASP A 369 10.254 0.741 -2.998 1.00 0.00 O ATOM 379 CB ASP A 369 7.595 1.962 -4.546 1.00 0.00 C ATOM 380 CG ASP A 369 8.278 1.827 -5.903 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.565 2.848 -6.504 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.505 0.702 -6.319 1.00 0.00 O ATOM 0 H ASP A 369 6.035 1.059 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 369 8.242 -0.076 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.515 2.022 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.909 2.887 -4.062 1.00 0.00 H new ATOM 387 N ARG A 370 8.813 1.869 -1.691 1.00 0.00 N ATOM 388 CA ARG A 370 9.840 2.281 -0.742 1.00 0.00 C ATOM 389 C ARG A 370 10.340 1.083 0.060 1.00 0.00 C ATOM 390 O ARG A 370 11.525 0.987 0.376 1.00 0.00 O ATOM 391 CB ARG A 370 9.277 3.336 0.210 1.00 0.00 C ATOM 392 CG ARG A 370 9.271 4.698 -0.485 1.00 0.00 C ATOM 393 CD ARG A 370 8.099 4.765 -1.466 1.00 0.00 C ATOM 394 NE ARG A 370 8.191 5.971 -2.281 1.00 0.00 N ATOM 395 CZ ARG A 370 7.704 7.130 -1.851 1.00 0.00 C ATOM 396 NH1 ARG A 370 7.132 7.204 -0.680 1.00 0.00 N ATOM 397 NH2 ARG A 370 7.797 8.196 -2.598 1.00 0.00 N ATOM 0 H ARG A 370 7.873 2.197 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 370 10.675 2.704 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.265 3.066 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.880 3.381 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.187 5.495 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 370 10.211 4.852 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 370 8.101 3.883 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 370 7.156 4.759 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 370 8.637 5.924 -3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 370 7.059 6.372 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 370 6.758 8.094 -0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 370 8.244 8.140 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 370 7.423 9.085 -2.267 1.00 0.00 H new ATOM 411 N ASN A 371 9.427 0.172 0.383 1.00 0.00 N ATOM 412 CA ASN A 371 9.787 -1.016 1.148 1.00 0.00 C ATOM 413 C ASN A 371 10.625 -1.966 0.299 1.00 0.00 C ATOM 414 O ASN A 371 11.678 -2.437 0.732 1.00 0.00 O ATOM 415 CB ASN A 371 8.524 -1.733 1.625 1.00 0.00 C ATOM 416 CG ASN A 371 8.524 -1.833 3.147 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.330 -2.917 3.699 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.730 -0.762 3.861 1.00 0.00 N ATOM 0 H ASN A 371 8.441 0.233 0.129 1.00 0.00 H new ATOM 0 HA ASN A 371 10.375 -0.705 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.640 -1.192 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.474 -2.730 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.731 -0.820 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.890 0.134 3.401 1.00 0.00 H new ATOM 425 N THR A 372 10.152 -2.244 -0.912 1.00 0.00 N ATOM 426 CA THR A 372 10.868 -3.141 -1.813 1.00 0.00 C ATOM 427 C THR A 372 12.241 -2.574 -2.153 1.00 0.00 C ATOM 428 O THR A 372 13.239 -3.295 -2.155 1.00 0.00 O ATOM 429 CB THR A 372 10.062 -3.340 -3.098 1.00 0.00 C ATOM 430 OG1 THR A 372 9.538 -4.661 -3.125 1.00 0.00 O ATOM 431 CG2 THR A 372 10.970 -3.125 -4.310 1.00 0.00 C ATOM 0 H THR A 372 9.284 -1.865 -1.290 1.00 0.00 H new ATOM 0 HA THR A 372 10.999 -4.101 -1.314 1.00 0.00 H new ATOM 0 HB THR A 372 9.243 -2.622 -3.129 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.020 -4.791 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.395 -3.267 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.373 -2.112 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.790 -3.842 -4.282 1.00 0.00 H new ATOM 439 N ARG A 373 12.286 -1.277 -2.443 1.00 0.00 N ATOM 440 CA ARG A 373 13.544 -0.623 -2.784 1.00 0.00 C ATOM 441 C ARG A 373 14.484 -0.610 -1.584 1.00 0.00 C ATOM 442 O ARG A 373 15.689 -0.820 -1.724 1.00 0.00 O ATOM 443 CB ARG A 373 13.278 0.811 -3.244 1.00 0.00 C ATOM 444 CG ARG A 373 13.121 0.840 -4.765 1.00 0.00 C ATOM 445 CD ARG A 373 14.450 0.468 -5.424 1.00 0.00 C ATOM 446 NE ARG A 373 15.532 1.268 -4.863 1.00 0.00 N ATOM 447 CZ ARG A 373 15.716 2.531 -5.234 1.00 0.00 C ATOM 448 NH1 ARG A 373 14.921 3.076 -6.115 1.00 0.00 N ATOM 449 NH2 ARG A 373 16.692 3.227 -4.718 1.00 0.00 N ATOM 0 H ARG A 373 11.472 -0.662 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 373 14.015 -1.182 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.376 1.195 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 373 14.100 1.460 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.342 0.143 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.807 1.832 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.655 -0.592 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.388 0.630 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 373 16.158 0.851 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 373 14.158 2.532 -6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.063 4.045 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 373 17.314 2.802 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 373 16.833 4.196 -5.003 1.00 0.00 H new ATOM 463 N ARG A 374 13.925 -0.362 -0.404 1.00 0.00 N ATOM 464 CA ARG A 374 14.724 -0.324 0.816 1.00 0.00 C ATOM 465 C ARG A 374 15.348 -1.688 1.091 1.00 0.00 C ATOM 466 O ARG A 374 16.525 -1.785 1.438 1.00 0.00 O ATOM 467 CB ARG A 374 13.849 0.087 2.001 1.00 0.00 C ATOM 468 CG ARG A 374 14.241 1.492 2.462 1.00 0.00 C ATOM 469 CD ARG A 374 15.593 1.438 3.175 1.00 0.00 C ATOM 470 NE ARG A 374 15.406 1.164 4.594 1.00 0.00 N ATOM 471 CZ ARG A 374 16.348 0.555 5.307 1.00 0.00 C ATOM 472 NH1 ARG A 374 17.463 0.190 4.737 1.00 0.00 N ATOM 473 NH2 ARG A 374 16.157 0.321 6.576 1.00 0.00 N ATOM 0 H ARG A 374 12.930 -0.186 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 374 15.521 0.407 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.798 0.067 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.970 -0.623 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.296 2.165 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.480 1.891 3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 374 16.217 0.664 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.118 2.385 3.047 1.00 0.00 H new ATOM 0 HE ARG A 374 14.537 1.445 5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 374 17.612 0.372 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 374 18.186 -0.277 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 374 15.285 0.605 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.880 -0.146 7.123 1.00 0.00 H new ATOM 487 N MET A 375 14.551 -2.741 0.932 1.00 0.00 N ATOM 488 CA MET A 375 15.036 -4.095 1.166 1.00 0.00 C ATOM 489 C MET A 375 15.843 -4.589 -0.029 1.00 0.00 C ATOM 490 O MET A 375 16.644 -5.517 0.090 1.00 0.00 O ATOM 491 CB MET A 375 13.857 -5.038 1.414 1.00 0.00 C ATOM 492 CG MET A 375 13.249 -5.459 0.075 1.00 0.00 C ATOM 493 SD MET A 375 11.617 -6.188 0.357 1.00 0.00 S ATOM 494 CE MET A 375 11.601 -7.273 -1.092 1.00 0.00 C ATOM 0 H MET A 375 13.574 -2.683 0.644 1.00 0.00 H new ATOM 0 HA MET A 375 15.681 -4.082 2.045 1.00 0.00 H new ATOM 0 HB2 MET A 375 14.190 -5.917 1.966 1.00 0.00 H new ATOM 0 HB3 MET A 375 13.104 -4.543 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 375 13.165 -4.596 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.900 -6.179 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 375 10.665 -7.831 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 375 11.691 -6.673 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 375 12.437 -7.970 -1.034 1.00 0.00 H new ATOM 504 N ARG A 376 15.625 -3.962 -1.178 1.00 0.00 N ATOM 505 CA ARG A 376 16.335 -4.344 -2.393 1.00 0.00 C ATOM 506 C ARG A 376 17.789 -3.885 -2.329 1.00 0.00 C ATOM 507 O ARG A 376 18.705 -4.656 -2.614 1.00 0.00 O ATOM 508 CB ARG A 376 15.655 -3.721 -3.613 1.00 0.00 C ATOM 509 CG ARG A 376 14.808 -4.779 -4.322 1.00 0.00 C ATOM 510 CD ARG A 376 14.887 -4.567 -5.835 1.00 0.00 C ATOM 511 NE ARG A 376 13.986 -3.495 -6.243 1.00 0.00 N ATOM 512 CZ ARG A 376 12.730 -3.749 -6.594 1.00 0.00 C ATOM 513 NH1 ARG A 376 12.283 -4.976 -6.577 1.00 0.00 N ATOM 514 NH2 ARG A 376 11.943 -2.773 -6.954 1.00 0.00 N ATOM 0 H ARG A 376 14.967 -3.192 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 376 16.311 -5.430 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.028 -2.884 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.405 -3.323 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 376 15.164 -5.777 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.772 -4.714 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 376 15.909 -4.321 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 376 14.624 -5.489 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 376 14.326 -2.534 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 376 12.898 -5.739 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 376 11.319 -5.171 -6.846 1.00 0.00 H new ATOM 0 HH21 ARG A 376 12.292 -1.815 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 376 10.979 -2.968 -7.223 1.00 0.00 H new ATOM 528 N ARG A 377 17.992 -2.626 -1.955 1.00 0.00 N ATOM 529 CA ARG A 377 19.339 -2.076 -1.858 1.00 0.00 C ATOM 530 C ARG A 377 20.083 -2.689 -0.677 1.00 0.00 C ATOM 531 O ARG A 377 21.313 -2.665 -0.623 1.00 0.00 O ATOM 532 CB ARG A 377 19.274 -0.556 -1.692 1.00 0.00 C ATOM 533 CG ARG A 377 18.922 -0.215 -0.243 1.00 0.00 C ATOM 534 CD ARG A 377 18.725 1.296 -0.108 1.00 0.00 C ATOM 535 NE ARG A 377 19.807 2.009 -0.778 1.00 0.00 N ATOM 536 CZ ARG A 377 19.803 3.334 -0.867 1.00 0.00 C ATOM 537 NH1 ARG A 377 18.822 4.021 -0.351 1.00 0.00 N ATOM 538 NH2 ARG A 377 20.783 3.950 -1.472 1.00 0.00 N ATOM 0 H ARG A 377 17.247 -1.972 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 377 19.876 -2.316 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 377 20.232 -0.109 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.527 -0.138 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 377 18.014 -0.739 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.716 -0.550 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.767 1.585 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 377 18.695 1.573 0.946 1.00 0.00 H new ATOM 0 HE ARG A 377 20.579 1.481 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 377 18.056 3.541 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 377 18.820 5.039 -0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 377 21.551 3.413 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 377 20.781 4.968 -1.541 1.00 0.00 H new ATOM 552 N LEU A 378 19.326 -3.235 0.263 1.00 0.00 N ATOM 553 CA LEU A 378 19.916 -3.855 1.444 1.00 0.00 C ATOM 554 C LEU A 378 18.830 -4.278 2.428 1.00 0.00 C ATOM 555 O LEU A 378 18.156 -3.437 3.023 1.00 0.00 O ATOM 556 CB LEU A 378 20.870 -2.873 2.127 1.00 0.00 C ATOM 557 CG LEU A 378 21.464 -3.523 3.378 1.00 0.00 C ATOM 558 CD1 LEU A 378 22.968 -3.247 3.432 1.00 0.00 C ATOM 559 CD2 LEU A 378 20.793 -2.938 4.622 1.00 0.00 C ATOM 0 H LEU A 378 18.307 -3.262 0.233 1.00 0.00 H new ATOM 0 HA LEU A 378 20.469 -4.740 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 378 21.667 -2.587 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 378 20.338 -1.961 2.396 1.00 0.00 H new ATOM 0 HG LEU A 378 21.294 -4.599 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 378 23.391 -3.710 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 378 23.446 -3.663 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 378 23.139 -2.171 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 378 21.215 -3.400 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 378 20.964 -1.862 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 378 19.722 -3.135 4.584 1.00 0.00 H new ATOM 571 N ALA A 379 18.665 -5.586 2.592 1.00 0.00 N ATOM 572 CA ALA A 379 17.656 -6.110 3.506 1.00 0.00 C ATOM 573 C ALA A 379 18.296 -7.033 4.539 1.00 0.00 C ATOM 574 O ALA A 379 19.393 -6.763 5.029 1.00 0.00 O ATOM 575 CB ALA A 379 16.590 -6.880 2.723 1.00 0.00 C ATOM 0 H ALA A 379 19.212 -6.298 2.108 1.00 0.00 H new ATOM 0 HA ALA A 379 17.191 -5.271 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 379 15.841 -7.268 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 379 16.112 -6.212 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 379 17.057 -7.709 2.191 1.00 0.00 H new ATOM 581 N ASN A 380 17.604 -8.118 4.865 1.00 0.00 N ATOM 582 CA ASN A 380 18.116 -9.074 5.841 1.00 0.00 C ATOM 583 C ASN A 380 17.036 -10.081 6.222 1.00 0.00 C ATOM 584 O ASN A 380 17.323 -11.118 6.819 1.00 0.00 O ATOM 585 CB ASN A 380 18.593 -8.335 7.093 1.00 0.00 C ATOM 586 CG ASN A 380 17.509 -7.382 7.582 1.00 0.00 C ATOM 587 OD1 ASN A 380 17.084 -6.493 6.843 1.00 0.00 O ATOM 588 ND2 ASN A 380 17.033 -7.513 8.789 1.00 0.00 N ATOM 0 H ASN A 380 16.694 -8.357 4.472 1.00 0.00 H new ATOM 0 HA ASN A 380 18.953 -9.609 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 380 18.839 -9.052 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 380 19.504 -7.779 6.872 1.00 0.00 H new ATOM 0 HD21 ASN A 380 16.307 -6.879 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 380 17.386 -8.250 9.399 1.00 0.00 H new ATOM 595 N THR A 381 15.792 -9.767 5.873 1.00 0.00 N ATOM 596 CA THR A 381 14.675 -10.653 6.185 1.00 0.00 C ATOM 597 C THR A 381 14.410 -11.609 5.027 1.00 0.00 C ATOM 598 O THR A 381 13.467 -11.421 4.258 1.00 0.00 O ATOM 599 CB THR A 381 13.418 -9.829 6.468 1.00 0.00 C ATOM 600 OG1 THR A 381 13.742 -8.760 7.346 1.00 0.00 O ATOM 601 CG2 THR A 381 12.357 -10.720 7.115 1.00 0.00 C ATOM 0 H THR A 381 15.533 -8.913 5.378 1.00 0.00 H new ATOM 0 HA THR A 381 14.933 -11.235 7.069 1.00 0.00 H new ATOM 0 HB THR A 381 13.029 -9.426 5.533 1.00 0.00 H new ATOM 0 HG1 THR A 381 12.938 -8.230 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 381 11.462 -10.132 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 381 12.109 -11.539 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 381 12.743 -11.125 8.050 1.00 0.00 H new ATOM 609 N ALA A 382 15.249 -12.633 4.906 1.00 0.00 N ATOM 610 CA ALA A 382 15.095 -13.612 3.837 1.00 0.00 C ATOM 611 C ALA A 382 14.985 -12.915 2.484 1.00 0.00 C ATOM 612 O ALA A 382 13.891 -12.572 2.037 1.00 0.00 O ATOM 613 CB ALA A 382 13.844 -14.458 4.079 1.00 0.00 C ATOM 0 H ALA A 382 16.037 -12.805 5.530 1.00 0.00 H new ATOM 0 HA ALA A 382 15.974 -14.257 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 382 13.737 -15.187 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 382 13.936 -14.979 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 382 12.967 -13.812 4.102 1.00 0.00 H new ATOM 619 N PRO A 383 16.097 -12.706 1.834 1.00 0.00 N ATOM 620 CA PRO A 383 16.141 -12.036 0.503 1.00 0.00 C ATOM 621 C PRO A 383 15.112 -12.614 -0.466 1.00 0.00 C ATOM 622 O PRO A 383 14.286 -13.445 -0.085 1.00 0.00 O ATOM 623 CB PRO A 383 17.565 -12.302 0.009 1.00 0.00 C ATOM 624 CG PRO A 383 18.380 -12.514 1.242 1.00 0.00 C ATOM 625 CD PRO A 383 17.439 -13.087 2.303 1.00 0.00 C ATOM 0 HA PRO A 383 15.901 -10.975 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 383 17.599 -13.178 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 383 17.943 -11.461 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 383 19.205 -13.199 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 383 18.819 -11.576 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 383 17.541 -14.169 2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 383 17.650 -12.672 3.289 1.00 0.00 H new ATOM 633 N ALA A 384 15.168 -12.169 -1.716 1.00 0.00 N ATOM 634 CA ALA A 384 14.236 -12.648 -2.730 1.00 0.00 C ATOM 635 C ALA A 384 12.927 -13.096 -2.086 1.00 0.00 C ATOM 636 O ALA A 384 12.724 -14.283 -1.832 1.00 0.00 O ATOM 637 CB ALA A 384 14.856 -13.818 -3.497 1.00 0.00 C ATOM 0 H ALA A 384 15.844 -11.482 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 384 14.027 -11.831 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 384 14.154 -14.170 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 384 15.776 -13.489 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 384 15.081 -14.629 -2.804 1.00 0.00 H new ATOM 643 N TRP A 385 12.044 -12.137 -1.825 1.00 0.00 N ATOM 644 CA TRP A 385 10.759 -12.445 -1.210 1.00 0.00 C ATOM 645 C TRP A 385 10.867 -13.688 -0.333 1.00 0.00 C ATOM 646 O TRP A 385 10.244 -14.682 -0.668 1.00 0.00 O ATOM 647 CB TRP A 385 9.703 -12.674 -2.294 1.00 0.00 C ATOM 648 CG TRP A 385 10.370 -12.762 -3.629 1.00 0.00 C ATOM 649 CD1 TRP A 385 10.438 -13.877 -4.391 1.00 0.00 C ATOM 650 CD2 TRP A 385 11.063 -11.716 -4.370 1.00 0.00 C ATOM 651 NE1 TRP A 385 11.127 -13.583 -5.554 1.00 0.00 N ATOM 652 CE2 TRP A 385 11.533 -12.264 -5.587 1.00 0.00 C ATOM 653 CE3 TRP A 385 11.326 -10.360 -4.108 1.00 0.00 C ATOM 654 CZ2 TRP A 385 12.240 -11.492 -6.511 1.00 0.00 C ATOM 655 CZ3 TRP A 385 12.037 -9.581 -5.035 1.00 0.00 C ATOM 656 CH2 TRP A 385 12.493 -10.147 -6.234 1.00 0.00 C ATOM 0 H TRP A 385 12.193 -11.149 -2.028 1.00 0.00 H new ATOM 0 HA TRP A 385 10.465 -11.600 -0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 385 9.151 -13.591 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 385 8.980 -11.859 -2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 385 10.022 -14.840 -4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 385 11.312 -14.258 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 385 10.979 -9.914 -3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 12.589 -11.932 -7.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 12.234 -8.540 -4.823 1.00 0.00 H new ATOM 0 HH2 TRP A 385 13.040 -9.543 -6.943 1.00 0.00 H new TER 667 TRP A 385