USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=8 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 71:sc= -0.899! 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= 0.0422 USER MOD Single : A 361 MET CE :methyl 158:sc= -3.59! (180deg=-5.62!) USER MOD Single : A 363 LYS NZ :NH3+ -135:sc= -0.0687 (180deg=-3.04!) USER MOD Single : A 364 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00546) USER MOD Single : A 368 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 371 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.5!) 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= -2.19 K(o=-2.2,f=-0.069) USER MOD Single : A 381 THR OG1 : rot -14:sc= 0.569 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -19.210 4.636 -1.420 1.00 0.00 N ATOM 2 CA GLY A 345 -18.716 3.888 -0.230 1.00 0.00 C ATOM 3 C GLY A 345 -18.013 4.849 0.722 1.00 0.00 C ATOM 4 O GLY A 345 -16.789 4.985 0.694 1.00 0.00 O ATOM 0 HA2 GLY A 345 -19.549 3.401 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -18.029 3.101 -0.542 1.00 0.00 H new ATOM 8 N PRO A 346 -18.765 5.514 1.555 1.00 0.00 N ATOM 9 CA PRO A 346 -18.215 6.488 2.541 1.00 0.00 C ATOM 10 C PRO A 346 -17.486 5.794 3.689 1.00 0.00 C ATOM 11 O PRO A 346 -17.687 4.605 3.937 1.00 0.00 O ATOM 12 CB PRO A 346 -19.453 7.229 3.049 1.00 0.00 C ATOM 13 CG PRO A 346 -20.594 6.287 2.843 1.00 0.00 C ATOM 14 CD PRO A 346 -20.229 5.406 1.648 1.00 0.00 C ATOM 0 HA PRO A 346 -17.473 7.148 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -19.348 7.494 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -19.607 8.158 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -20.761 5.681 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -21.517 6.834 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -20.543 4.374 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -20.713 5.753 0.735 1.00 0.00 H new ATOM 22 N LEU A 347 -16.640 6.546 4.386 1.00 0.00 N ATOM 23 CA LEU A 347 -15.885 5.993 5.505 1.00 0.00 C ATOM 24 C LEU A 347 -14.885 4.952 5.016 1.00 0.00 C ATOM 25 O LEU A 347 -15.188 3.761 4.960 1.00 0.00 O ATOM 26 CB LEU A 347 -16.843 5.348 6.511 1.00 0.00 C ATOM 27 CG LEU A 347 -16.817 6.140 7.820 1.00 0.00 C ATOM 28 CD1 LEU A 347 -17.320 7.563 7.567 1.00 0.00 C ATOM 29 CD2 LEU A 347 -17.723 5.455 8.845 1.00 0.00 C ATOM 0 H LEU A 347 -16.461 7.532 4.198 1.00 0.00 H new ATOM 0 HA LEU A 347 -15.340 6.804 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -17.854 5.329 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -16.553 4.313 6.694 1.00 0.00 H new ATOM 0 HG LEU A 347 -15.797 6.179 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -17.301 8.127 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -16.677 8.051 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -18.341 7.526 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -17.706 6.017 9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -18.743 5.418 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -17.366 4.441 9.026 1.00 0.00 H new ATOM 41 N GLY A 348 -13.688 5.411 4.659 1.00 0.00 N ATOM 42 CA GLY A 348 -12.649 4.511 4.175 1.00 0.00 C ATOM 43 C GLY A 348 -12.415 3.368 5.158 1.00 0.00 C ATOM 44 O GLY A 348 -12.063 3.594 6.316 1.00 0.00 O ATOM 0 H GLY A 348 -13.416 6.393 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -12.936 4.107 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -11.722 5.065 4.029 1.00 0.00 H new ATOM 48 N SER A 349 -12.616 2.141 4.689 1.00 0.00 N ATOM 49 CA SER A 349 -12.424 0.970 5.537 1.00 0.00 C ATOM 50 C SER A 349 -12.690 -0.310 4.751 1.00 0.00 C ATOM 51 O SER A 349 -12.735 -0.296 3.520 1.00 0.00 O ATOM 52 CB SER A 349 -13.365 1.036 6.739 1.00 0.00 C ATOM 53 OG SER A 349 -14.705 0.864 6.297 1.00 0.00 O ATOM 0 H SER A 349 -12.909 1.932 3.735 1.00 0.00 H new ATOM 0 HA SER A 349 -11.391 0.962 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 349 -13.106 0.262 7.461 1.00 0.00 H new ATOM 0 HB3 SER A 349 -13.258 1.994 7.247 1.00 0.00 H new ATOM 0 HG SER A 349 -14.839 -0.065 6.014 1.00 0.00 H new ATOM 59 N MET A 350 -12.864 -1.415 5.469 1.00 0.00 N ATOM 60 CA MET A 350 -13.124 -2.697 4.827 1.00 0.00 C ATOM 61 C MET A 350 -11.918 -3.141 4.004 1.00 0.00 C ATOM 62 O MET A 350 -11.096 -2.320 3.596 1.00 0.00 O ATOM 63 CB MET A 350 -14.351 -2.589 3.920 1.00 0.00 C ATOM 64 CG MET A 350 -15.594 -2.321 4.771 1.00 0.00 C ATOM 65 SD MET A 350 -16.084 -0.588 4.598 1.00 0.00 S ATOM 66 CE MET A 350 -17.419 -0.848 3.403 1.00 0.00 C ATOM 0 H MET A 350 -12.830 -1.448 6.488 1.00 0.00 H new ATOM 0 HA MET A 350 -13.311 -3.438 5.604 1.00 0.00 H new ATOM 0 HB2 MET A 350 -14.212 -1.785 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 350 -14.478 -3.510 3.352 1.00 0.00 H new ATOM 0 HG2 MET A 350 -16.409 -2.973 4.458 1.00 0.00 H new ATOM 0 HG3 MET A 350 -15.387 -2.549 5.817 1.00 0.00 H new ATOM 0 HE1 MET A 350 -17.872 0.110 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 350 -17.016 -1.309 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 350 -18.174 -1.503 3.838 1.00 0.00 H new ATOM 76 N PRO A 351 -11.806 -4.416 3.757 1.00 0.00 N ATOM 77 CA PRO A 351 -10.679 -4.990 2.966 1.00 0.00 C ATOM 78 C PRO A 351 -10.801 -4.670 1.478 1.00 0.00 C ATOM 79 O PRO A 351 -11.465 -3.709 1.091 1.00 0.00 O ATOM 80 CB PRO A 351 -10.793 -6.495 3.212 1.00 0.00 C ATOM 81 CG PRO A 351 -12.226 -6.738 3.557 1.00 0.00 C ATOM 82 CD PRO A 351 -12.746 -5.454 4.208 1.00 0.00 C ATOM 0 HA PRO A 351 -9.716 -4.577 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -10.502 -7.060 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -10.136 -6.811 4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -12.803 -6.980 2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -12.322 -7.584 4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -13.766 -5.232 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -12.759 -5.535 5.295 1.00 0.00 H new ATOM 90 N LEU A 352 -10.154 -5.482 0.649 1.00 0.00 N ATOM 91 CA LEU A 352 -10.196 -5.276 -0.795 1.00 0.00 C ATOM 92 C LEU A 352 -11.505 -5.801 -1.372 1.00 0.00 C ATOM 93 O LEU A 352 -11.516 -6.468 -2.409 1.00 0.00 O ATOM 94 CB LEU A 352 -9.018 -5.993 -1.459 1.00 0.00 C ATOM 95 CG LEU A 352 -7.963 -4.965 -1.871 1.00 0.00 C ATOM 96 CD1 LEU A 352 -7.275 -4.409 -0.623 1.00 0.00 C ATOM 97 CD2 LEU A 352 -6.922 -5.638 -2.768 1.00 0.00 C ATOM 0 H LEU A 352 -9.598 -6.283 0.948 1.00 0.00 H new ATOM 0 HA LEU A 352 -10.128 -4.206 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -8.585 -6.719 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -9.361 -6.548 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 352 -8.442 -4.150 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -6.523 -3.677 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -8.016 -3.931 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -6.795 -5.223 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -6.169 -4.907 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -6.444 -6.452 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -7.411 -6.035 -3.658 1.00 0.00 H new ATOM 109 N LEU A 353 -12.609 -5.499 -0.696 1.00 0.00 N ATOM 110 CA LEU A 353 -13.919 -5.947 -1.153 1.00 0.00 C ATOM 111 C LEU A 353 -14.729 -4.772 -1.687 1.00 0.00 C ATOM 112 O LEU A 353 -15.960 -4.803 -1.694 1.00 0.00 O ATOM 113 CB LEU A 353 -14.676 -6.606 -0.001 1.00 0.00 C ATOM 114 CG LEU A 353 -14.578 -8.126 -0.128 1.00 0.00 C ATOM 115 CD1 LEU A 353 -13.753 -8.685 1.033 1.00 0.00 C ATOM 116 CD2 LEU A 353 -15.983 -8.731 -0.091 1.00 0.00 C ATOM 0 H LEU A 353 -12.623 -4.950 0.164 1.00 0.00 H new ATOM 0 HA LEU A 353 -13.775 -6.671 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -14.260 -6.283 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -15.721 -6.296 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 353 -14.095 -8.381 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -13.684 -9.769 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -12.752 -8.254 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -14.235 -8.431 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -15.915 -9.815 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -16.465 -8.475 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -16.572 -8.334 -0.918 1.00 0.00 H new ATOM 128 N GLU A 354 -14.026 -3.741 -2.129 1.00 0.00 N ATOM 129 CA GLU A 354 -14.679 -2.552 -2.666 1.00 0.00 C ATOM 130 C GLU A 354 -13.683 -1.700 -3.444 1.00 0.00 C ATOM 131 O GLU A 354 -12.736 -1.160 -2.875 1.00 0.00 O ATOM 132 CB GLU A 354 -15.281 -1.728 -1.526 1.00 0.00 C ATOM 133 CG GLU A 354 -15.685 -0.349 -2.052 1.00 0.00 C ATOM 134 CD GLU A 354 -16.651 0.318 -1.078 1.00 0.00 C ATOM 135 OE1 GLU A 354 -17.820 -0.027 -1.108 1.00 0.00 O ATOM 136 OE2 GLU A 354 -16.206 1.161 -0.318 1.00 0.00 O ATOM 0 H GLU A 354 -13.007 -3.701 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 354 -15.473 -2.869 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -16.150 -2.240 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -14.558 -1.623 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -14.800 0.273 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -16.153 -0.447 -3.032 1.00 0.00 H new ATOM 143 N THR A 355 -13.905 -1.584 -4.750 1.00 0.00 N ATOM 144 CA THR A 355 -13.020 -0.793 -5.598 1.00 0.00 C ATOM 145 C THR A 355 -12.444 0.385 -4.820 1.00 0.00 C ATOM 146 O THR A 355 -13.114 0.966 -3.966 1.00 0.00 O ATOM 147 CB THR A 355 -13.788 -0.274 -6.815 1.00 0.00 C ATOM 148 OG1 THR A 355 -13.033 0.748 -7.450 1.00 0.00 O ATOM 149 CG2 THR A 355 -15.138 0.287 -6.370 1.00 0.00 C ATOM 0 H THR A 355 -14.684 -2.024 -5.241 1.00 0.00 H new ATOM 0 HA THR A 355 -12.201 -1.431 -5.930 1.00 0.00 H new ATOM 0 HB THR A 355 -13.952 -1.093 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 355 -13.524 1.080 -8.231 1.00 0.00 H new ATOM 0 HG21 THR A 355 -15.683 0.656 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 355 -15.717 -0.499 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 355 -14.978 1.105 -5.668 1.00 0.00 H new ATOM 157 N LEU A 356 -11.195 0.733 -5.119 1.00 0.00 N ATOM 158 CA LEU A 356 -10.537 1.840 -4.443 1.00 0.00 C ATOM 159 C LEU A 356 -10.355 3.016 -5.395 1.00 0.00 C ATOM 160 O LEU A 356 -11.015 3.099 -6.431 1.00 0.00 O ATOM 161 CB LEU A 356 -9.175 1.393 -3.917 1.00 0.00 C ATOM 162 CG LEU A 356 -9.294 -0.007 -3.313 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.261 -0.932 -3.959 1.00 0.00 C ATOM 164 CD2 LEU A 356 -9.040 0.067 -1.805 1.00 0.00 C ATOM 0 H LEU A 356 -10.623 0.265 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.163 2.156 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.444 1.390 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -8.816 2.095 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.295 -0.398 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.346 -1.930 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -8.440 -0.984 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.259 -0.542 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -9.124 -0.930 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -8.039 0.458 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -9.776 0.726 -1.344 1.00 0.00 H new ATOM 176 N THR A 357 -9.456 3.921 -5.033 1.00 0.00 N ATOM 177 CA THR A 357 -9.189 5.094 -5.857 1.00 0.00 C ATOM 178 C THR A 357 -7.705 5.186 -6.191 1.00 0.00 C ATOM 179 O THR A 357 -6.950 4.234 -5.984 1.00 0.00 O ATOM 180 CB THR A 357 -9.630 6.362 -5.122 1.00 0.00 C ATOM 181 OG1 THR A 357 -8.706 6.649 -4.082 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.023 6.151 -4.527 1.00 0.00 C ATOM 0 H THR A 357 -8.901 3.867 -4.179 1.00 0.00 H new ATOM 0 HA THR A 357 -9.753 4.999 -6.785 1.00 0.00 H new ATOM 0 HB THR A 357 -9.660 7.197 -5.822 1.00 0.00 H new ATOM 0 HG1 THR A 357 -8.986 7.462 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.336 7.055 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.731 5.931 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 357 -10.997 5.317 -3.826 1.00 0.00 H new ATOM 190 N ASP A 358 -7.290 6.337 -6.708 1.00 0.00 N ATOM 191 CA ASP A 358 -5.893 6.546 -7.067 1.00 0.00 C ATOM 192 C ASP A 358 -5.040 6.722 -5.818 1.00 0.00 C ATOM 193 O ASP A 358 -3.843 6.436 -5.822 1.00 0.00 O ATOM 194 CB ASP A 358 -5.766 7.783 -7.954 1.00 0.00 C ATOM 195 CG ASP A 358 -6.618 8.915 -7.394 1.00 0.00 C ATOM 196 OD1 ASP A 358 -6.093 9.695 -6.615 1.00 0.00 O ATOM 197 OD2 ASP A 358 -7.782 8.990 -7.752 1.00 0.00 O ATOM 0 H ASP A 358 -7.898 7.136 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.540 5.670 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -4.723 8.095 -8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -6.083 7.546 -8.970 1.00 0.00 H new ATOM 202 N ALA A 359 -5.669 7.198 -4.753 1.00 0.00 N ATOM 203 CA ALA A 359 -4.967 7.414 -3.494 1.00 0.00 C ATOM 204 C ALA A 359 -4.572 6.083 -2.863 1.00 0.00 C ATOM 205 O ALA A 359 -3.427 5.893 -2.455 1.00 0.00 O ATOM 206 CB ALA A 359 -5.858 8.194 -2.525 1.00 0.00 C ATOM 0 H ALA A 359 -6.659 7.441 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.063 7.988 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.325 8.351 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.114 9.159 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.770 7.629 -2.334 1.00 0.00 H new ATOM 212 N GLU A 360 -5.529 5.163 -2.788 1.00 0.00 N ATOM 213 CA GLU A 360 -5.271 3.853 -2.206 1.00 0.00 C ATOM 214 C GLU A 360 -4.254 3.084 -3.042 1.00 0.00 C ATOM 215 O GLU A 360 -3.314 2.496 -2.508 1.00 0.00 O ATOM 216 CB GLU A 360 -6.570 3.058 -2.122 1.00 0.00 C ATOM 217 CG GLU A 360 -7.288 3.391 -0.813 1.00 0.00 C ATOM 218 CD GLU A 360 -7.745 2.107 -0.128 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.939 1.957 0.072 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.892 1.292 0.188 1.00 0.00 O ATOM 0 H GLU A 360 -6.483 5.300 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.865 3.995 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.210 3.296 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.359 1.990 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.621 3.947 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.147 4.032 -1.012 1.00 0.00 H new ATOM 227 N MET A 361 -4.448 3.096 -4.358 1.00 0.00 N ATOM 228 CA MET A 361 -3.539 2.397 -5.259 1.00 0.00 C ATOM 229 C MET A 361 -2.127 2.958 -5.137 1.00 0.00 C ATOM 230 O MET A 361 -1.154 2.206 -5.062 1.00 0.00 O ATOM 231 CB MET A 361 -4.023 2.542 -6.704 1.00 0.00 C ATOM 232 CG MET A 361 -3.359 3.759 -7.347 1.00 0.00 C ATOM 233 SD MET A 361 -3.837 3.858 -9.089 1.00 0.00 S ATOM 234 CE MET A 361 -5.578 3.418 -8.873 1.00 0.00 C ATOM 0 H MET A 361 -5.219 3.578 -4.820 1.00 0.00 H new ATOM 0 HA MET A 361 -3.524 1.342 -4.984 1.00 0.00 H new ATOM 0 HB2 MET A 361 -3.783 1.642 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.107 2.653 -6.726 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.658 4.668 -6.825 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.275 3.683 -7.260 1.00 0.00 H new ATOM 0 HE1 MET A 361 -6.154 3.783 -9.723 1.00 0.00 H new ATOM 0 HE2 MET A 361 -5.674 2.334 -8.808 1.00 0.00 H new ATOM 0 HE3 MET A 361 -5.957 3.871 -7.957 1.00 0.00 H new ATOM 244 N GLU A 362 -2.021 4.282 -5.114 1.00 0.00 N ATOM 245 CA GLU A 362 -0.723 4.933 -4.998 1.00 0.00 C ATOM 246 C GLU A 362 -0.154 4.748 -3.595 1.00 0.00 C ATOM 247 O GLU A 362 1.061 4.702 -3.408 1.00 0.00 O ATOM 248 CB GLU A 362 -0.857 6.427 -5.302 1.00 0.00 C ATOM 249 CG GLU A 362 -0.906 6.637 -6.817 1.00 0.00 C ATOM 250 CD GLU A 362 0.360 6.083 -7.462 1.00 0.00 C ATOM 251 OE1 GLU A 362 1.379 6.748 -7.386 1.00 0.00 O ATOM 252 OE2 GLU A 362 0.291 5.001 -8.023 1.00 0.00 O ATOM 0 H GLU A 362 -2.813 4.921 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.044 4.475 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.761 6.823 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.015 6.973 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -1.783 6.141 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.004 7.699 -7.042 1.00 0.00 H new ATOM 259 N LYS A 363 -1.043 4.642 -2.612 1.00 0.00 N ATOM 260 CA LYS A 363 -0.620 4.460 -1.229 1.00 0.00 C ATOM 261 C LYS A 363 0.089 3.120 -1.057 1.00 0.00 C ATOM 262 O LYS A 363 1.179 3.051 -0.489 1.00 0.00 O ATOM 263 CB LYS A 363 -1.834 4.520 -0.299 1.00 0.00 C ATOM 264 CG LYS A 363 -1.584 5.552 0.801 1.00 0.00 C ATOM 265 CD LYS A 363 -1.488 4.843 2.154 1.00 0.00 C ATOM 266 CE LYS A 363 -0.025 4.506 2.452 1.00 0.00 C ATOM 267 NZ LYS A 363 0.250 3.096 2.055 1.00 0.00 N ATOM 0 H LYS A 363 -2.053 4.679 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 363 0.074 5.261 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.726 4.786 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -2.016 3.540 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.663 6.099 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.392 6.284 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.893 5.481 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -2.087 3.932 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 363 0.634 5.183 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.182 4.643 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 0.793 2.624 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -0.649 2.594 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.799 3.085 1.172 1.00 0.00 H new ATOM 281 N LYS A 364 -0.539 2.057 -1.551 1.00 0.00 N ATOM 282 CA LYS A 364 0.041 0.724 -1.446 1.00 0.00 C ATOM 283 C LYS A 364 1.257 0.596 -2.357 1.00 0.00 C ATOM 284 O LYS A 364 2.320 0.144 -1.929 1.00 0.00 O ATOM 285 CB LYS A 364 -0.999 -0.330 -1.830 1.00 0.00 C ATOM 286 CG LYS A 364 -1.651 0.055 -3.160 1.00 0.00 C ATOM 287 CD LYS A 364 -1.044 -0.784 -4.287 1.00 0.00 C ATOM 288 CE LYS A 364 -2.143 -1.180 -5.277 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.924 -2.321 -4.720 1.00 0.00 N ATOM 0 H LYS A 364 -1.442 2.092 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 364 0.355 0.565 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.526 -1.308 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.757 -0.409 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.728 -0.108 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -1.498 1.116 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -0.266 -0.217 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -0.571 -1.676 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.801 -0.332 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.702 -1.459 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -3.615 -2.646 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.278 -3.101 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -3.424 -2.013 -3.862 1.00 0.00 H new ATOM 303 N ILE A 365 1.094 0.993 -3.614 1.00 0.00 N ATOM 304 CA ILE A 365 2.185 0.918 -4.577 1.00 0.00 C ATOM 305 C ILE A 365 3.390 1.712 -4.086 1.00 0.00 C ATOM 306 O ILE A 365 4.525 1.240 -4.146 1.00 0.00 O ATOM 307 CB ILE A 365 1.726 1.465 -5.928 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.998 0.364 -6.702 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.942 1.934 -6.730 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.375 0.444 -8.183 1.00 0.00 C ATOM 0 H ILE A 365 0.222 1.368 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 365 2.475 -0.127 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 365 1.051 2.306 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.264 -0.614 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.080 0.474 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.614 2.324 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.461 2.718 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.618 1.094 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.856 -0.341 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.086 1.417 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.452 0.312 -8.292 1.00 0.00 H new ATOM 322 N ARG A 366 3.135 2.923 -3.601 1.00 0.00 N ATOM 323 CA ARG A 366 4.207 3.776 -3.101 1.00 0.00 C ATOM 324 C ARG A 366 4.863 3.150 -1.877 1.00 0.00 C ATOM 325 O ARG A 366 6.088 3.089 -1.778 1.00 0.00 O ATOM 326 CB ARG A 366 3.650 5.154 -2.736 1.00 0.00 C ATOM 327 CG ARG A 366 3.439 5.974 -4.011 1.00 0.00 C ATOM 328 CD ARG A 366 4.044 7.366 -3.828 1.00 0.00 C ATOM 329 NE ARG A 366 3.778 7.860 -2.482 1.00 0.00 N ATOM 330 CZ ARG A 366 3.705 9.163 -2.230 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.873 10.024 -3.196 1.00 0.00 N ATOM 332 NH2 ARG A 366 3.465 9.581 -1.018 1.00 0.00 N ATOM 0 H ARG A 366 2.203 3.333 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 366 4.957 3.883 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.707 5.046 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.339 5.671 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.904 5.472 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.375 6.055 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 366 5.119 7.329 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.625 8.052 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 366 3.646 7.194 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.060 9.697 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.817 11.024 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 366 3.333 8.908 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 366 3.409 10.581 -0.825 1.00 0.00 H new ATOM 346 N ASP A 367 4.040 2.685 -0.945 1.00 0.00 N ATOM 347 CA ASP A 367 4.550 2.064 0.273 1.00 0.00 C ATOM 348 C ASP A 367 5.341 0.803 -0.061 1.00 0.00 C ATOM 349 O ASP A 367 6.434 0.588 0.460 1.00 0.00 O ATOM 350 CB ASP A 367 3.390 1.710 1.205 1.00 0.00 C ATOM 351 CG ASP A 367 3.849 1.779 2.657 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.064 0.731 3.241 1.00 0.00 O ATOM 353 OD2 ASP A 367 3.978 2.882 3.165 1.00 0.00 O ATOM 0 H ASP A 367 3.023 2.725 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 367 5.211 2.773 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.560 2.398 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.023 0.709 0.978 1.00 0.00 H new ATOM 358 N GLN A 368 4.780 -0.028 -0.934 1.00 0.00 N ATOM 359 CA GLN A 368 5.441 -1.265 -1.330 1.00 0.00 C ATOM 360 C GLN A 368 6.689 -0.964 -2.153 1.00 0.00 C ATOM 361 O GLN A 368 7.637 -1.749 -2.174 1.00 0.00 O ATOM 362 CB GLN A 368 4.484 -2.134 -2.147 1.00 0.00 C ATOM 363 CG GLN A 368 5.027 -2.299 -3.567 1.00 0.00 C ATOM 364 CD GLN A 368 4.176 -3.304 -4.337 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.463 -3.603 -5.496 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.140 -3.846 -3.757 1.00 0.00 N ATOM 0 H GLN A 368 3.876 0.132 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 368 5.734 -1.802 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.370 -3.110 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.495 -1.676 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.023 -1.338 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 368 6.062 -2.638 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.905 -3.596 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 368 2.566 -4.519 -4.264 1.00 0.00 H new ATOM 375 N ASP A 369 6.677 0.179 -2.826 1.00 0.00 N ATOM 376 CA ASP A 369 7.813 0.582 -3.648 1.00 0.00 C ATOM 377 C ASP A 369 8.974 1.031 -2.771 1.00 0.00 C ATOM 378 O ASP A 369 10.135 0.737 -3.059 1.00 0.00 O ATOM 379 CB ASP A 369 7.402 1.723 -4.582 1.00 0.00 C ATOM 380 CG ASP A 369 8.353 1.792 -5.772 1.00 0.00 C ATOM 381 OD1 ASP A 369 9.082 0.836 -5.979 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.339 2.800 -6.458 1.00 0.00 O ATOM 0 H ASP A 369 5.900 0.840 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 369 8.132 -0.275 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.381 1.568 -4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.414 2.669 -4.041 1.00 0.00 H new ATOM 387 N ARG A 370 8.652 1.741 -1.699 1.00 0.00 N ATOM 388 CA ARG A 370 9.673 2.228 -0.779 1.00 0.00 C ATOM 389 C ARG A 370 10.211 1.083 0.074 1.00 0.00 C ATOM 390 O ARG A 370 11.400 1.035 0.387 1.00 0.00 O ATOM 391 CB ARG A 370 9.087 3.313 0.127 1.00 0.00 C ATOM 392 CG ARG A 370 9.183 4.668 -0.572 1.00 0.00 C ATOM 393 CD ARG A 370 9.921 5.658 0.332 1.00 0.00 C ATOM 394 NE ARG A 370 11.360 5.426 0.267 1.00 0.00 N ATOM 395 CZ ARG A 370 12.226 6.391 0.553 1.00 0.00 C ATOM 396 NH1 ARG A 370 11.795 7.572 0.899 1.00 0.00 N ATOM 397 NH2 ARG A 370 13.509 6.158 0.488 1.00 0.00 N ATOM 0 H ARG A 370 7.697 1.992 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 370 10.492 2.649 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.047 3.085 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.626 3.341 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.710 4.563 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.185 5.042 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.696 6.679 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.574 5.551 1.360 1.00 0.00 H new ATOM 0 HE ARG A 370 11.707 4.506 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 370 10.793 7.754 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 370 12.460 8.313 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 370 13.847 5.234 0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 370 14.174 6.900 0.708 1.00 0.00 H new ATOM 411 N ASN A 371 9.325 0.164 0.446 1.00 0.00 N ATOM 412 CA ASN A 371 9.721 -0.977 1.265 1.00 0.00 C ATOM 413 C ASN A 371 10.589 -1.938 0.458 1.00 0.00 C ATOM 414 O ASN A 371 11.628 -2.397 0.932 1.00 0.00 O ATOM 415 CB ASN A 371 8.478 -1.710 1.771 1.00 0.00 C ATOM 416 CG ASN A 371 8.889 -2.961 2.541 1.00 0.00 C ATOM 417 OD1 ASN A 371 10.014 -3.438 2.398 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.037 -3.524 3.355 1.00 0.00 N ATOM 0 H ASN A 371 8.336 0.186 0.196 1.00 0.00 H new ATOM 0 HA ASN A 371 10.298 -0.611 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.894 -1.052 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.839 -1.983 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.304 -4.361 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.105 -3.127 3.472 1.00 0.00 H new ATOM 425 N THR A 372 10.156 -2.237 -0.762 1.00 0.00 N ATOM 426 CA THR A 372 10.901 -3.145 -1.625 1.00 0.00 C ATOM 427 C THR A 372 12.221 -2.513 -2.054 1.00 0.00 C ATOM 428 O THR A 372 13.272 -3.152 -2.006 1.00 0.00 O ATOM 429 CB THR A 372 10.071 -3.491 -2.863 1.00 0.00 C ATOM 430 OG1 THR A 372 9.641 -4.842 -2.781 1.00 0.00 O ATOM 431 CG2 THR A 372 10.922 -3.299 -4.120 1.00 0.00 C ATOM 0 H THR A 372 9.299 -1.867 -1.173 1.00 0.00 H new ATOM 0 HA THR A 372 11.112 -4.056 -1.065 1.00 0.00 H new ATOM 0 HB THR A 372 9.201 -2.836 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.108 -5.064 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.330 -3.546 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.250 -2.261 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.793 -3.953 -4.073 1.00 0.00 H new ATOM 439 N ARG A 373 12.158 -1.254 -2.476 1.00 0.00 N ATOM 440 CA ARG A 373 13.356 -0.545 -2.913 1.00 0.00 C ATOM 441 C ARG A 373 14.368 -0.451 -1.776 1.00 0.00 C ATOM 442 O ARG A 373 15.556 -0.710 -1.968 1.00 0.00 O ATOM 443 CB ARG A 373 12.986 0.863 -3.385 1.00 0.00 C ATOM 444 CG ARG A 373 12.664 0.833 -4.880 1.00 0.00 C ATOM 445 CD ARG A 373 13.937 1.104 -5.683 1.00 0.00 C ATOM 446 NE ARG A 373 14.605 2.299 -5.180 1.00 0.00 N ATOM 447 CZ ARG A 373 14.241 3.512 -5.582 1.00 0.00 C ATOM 448 NH1 ARG A 373 13.267 3.649 -6.441 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.854 4.565 -5.116 1.00 0.00 N ATOM 0 H ARG A 373 11.298 -0.707 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 373 13.803 -1.100 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.127 1.232 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.810 1.550 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.249 -0.137 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.907 1.582 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.608 0.248 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.690 1.233 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 373 15.366 2.202 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.786 2.825 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 373 12.987 4.580 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 373 15.613 4.457 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.574 5.496 -5.425 1.00 0.00 H new ATOM 463 N ARG A 374 13.889 -0.083 -0.593 1.00 0.00 N ATOM 464 CA ARG A 374 14.763 0.040 0.570 1.00 0.00 C ATOM 465 C ARG A 374 15.385 -1.309 0.916 1.00 0.00 C ATOM 466 O ARG A 374 16.591 -1.407 1.141 1.00 0.00 O ATOM 467 CB ARG A 374 13.967 0.560 1.769 1.00 0.00 C ATOM 468 CG ARG A 374 14.203 2.064 1.923 1.00 0.00 C ATOM 469 CD ARG A 374 15.189 2.312 3.067 1.00 0.00 C ATOM 470 NE ARG A 374 14.968 3.633 3.645 1.00 0.00 N ATOM 471 CZ ARG A 374 15.745 4.095 4.618 1.00 0.00 C ATOM 472 NH1 ARG A 374 16.724 3.362 5.075 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.529 5.280 5.119 1.00 0.00 N ATOM 0 H ARG A 374 12.909 0.134 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 374 15.560 0.744 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.905 0.360 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.272 0.038 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.596 2.478 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.260 2.572 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.068 1.547 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.212 2.235 2.698 1.00 0.00 H new ATOM 0 HE ARG A 374 14.204 4.212 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 374 16.892 2.435 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 374 17.321 3.717 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.763 5.852 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 374 16.126 5.634 5.866 1.00 0.00 H new ATOM 487 N MET A 375 14.555 -2.345 0.956 1.00 0.00 N ATOM 488 CA MET A 375 15.035 -3.685 1.278 1.00 0.00 C ATOM 489 C MET A 375 15.757 -4.294 0.082 1.00 0.00 C ATOM 490 O MET A 375 16.551 -5.223 0.231 1.00 0.00 O ATOM 491 CB MET A 375 13.861 -4.579 1.680 1.00 0.00 C ATOM 492 CG MET A 375 13.728 -4.592 3.204 1.00 0.00 C ATOM 493 SD MET A 375 12.546 -5.873 3.695 1.00 0.00 S ATOM 494 CE MET A 375 13.758 -7.101 4.243 1.00 0.00 C ATOM 0 H MET A 375 13.554 -2.285 0.771 1.00 0.00 H new ATOM 0 HA MET A 375 15.734 -3.611 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 375 12.940 -4.213 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.018 -5.592 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.698 -4.782 3.663 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.393 -3.617 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.239 -7.993 4.595 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.410 -7.365 3.410 1.00 0.00 H new ATOM 0 HE3 MET A 375 14.356 -6.685 5.054 1.00 0.00 H new ATOM 504 N ARG A 376 15.475 -3.766 -1.101 1.00 0.00 N ATOM 505 CA ARG A 376 16.101 -4.264 -2.321 1.00 0.00 C ATOM 506 C ARG A 376 17.557 -3.818 -2.394 1.00 0.00 C ATOM 507 O ARG A 376 18.434 -4.591 -2.782 1.00 0.00 O ATOM 508 CB ARG A 376 15.344 -3.747 -3.546 1.00 0.00 C ATOM 509 CG ARG A 376 14.306 -4.784 -3.979 1.00 0.00 C ATOM 510 CD ARG A 376 13.978 -4.589 -5.460 1.00 0.00 C ATOM 511 NE ARG A 376 15.154 -4.858 -6.278 1.00 0.00 N ATOM 512 CZ ARG A 376 15.637 -6.090 -6.402 1.00 0.00 C ATOM 513 NH1 ARG A 376 15.057 -7.084 -5.786 1.00 0.00 N ATOM 514 NH2 ARG A 376 16.690 -6.306 -7.140 1.00 0.00 N ATOM 0 H ARG A 376 14.820 -2.997 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 376 16.066 -5.353 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 376 14.854 -2.802 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.040 -3.551 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 376 14.689 -5.790 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.402 -4.682 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 376 13.165 -5.254 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 376 13.632 -3.570 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 376 15.614 -4.088 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 376 14.233 -6.915 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 376 15.428 -8.029 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 376 17.143 -5.530 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 376 17.061 -7.251 -7.235 1.00 0.00 H new ATOM 528 N ARG A 377 17.808 -2.567 -2.021 1.00 0.00 N ATOM 529 CA ARG A 377 19.164 -2.030 -2.049 1.00 0.00 C ATOM 530 C ARG A 377 20.080 -2.843 -1.143 1.00 0.00 C ATOM 531 O ARG A 377 21.302 -2.815 -1.291 1.00 0.00 O ATOM 532 CB ARG A 377 19.158 -0.568 -1.599 1.00 0.00 C ATOM 533 CG ARG A 377 19.064 -0.504 -0.073 1.00 0.00 C ATOM 534 CD ARG A 377 20.299 0.202 0.486 1.00 0.00 C ATOM 535 NE ARG A 377 20.671 -0.377 1.773 1.00 0.00 N ATOM 536 CZ ARG A 377 20.141 0.070 2.907 1.00 0.00 C ATOM 537 NH1 ARG A 377 19.271 1.042 2.881 1.00 0.00 N ATOM 538 NH2 ARG A 377 20.491 -0.464 4.045 1.00 0.00 N ATOM 0 H ARG A 377 17.097 -1.911 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 377 19.538 -2.091 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 377 20.065 -0.068 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.316 -0.042 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 377 18.161 0.030 0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 377 18.989 -1.510 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 377 21.128 0.110 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 377 20.097 1.267 0.603 1.00 0.00 H new ATOM 0 HE ARG A 377 21.350 -1.138 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 377 18.998 1.458 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 377 18.864 1.385 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 377 21.171 -1.224 4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 377 20.085 -0.121 4.916 1.00 0.00 H new ATOM 552 N LEU A 378 19.479 -3.562 -0.207 1.00 0.00 N ATOM 553 CA LEU A 378 20.245 -4.383 0.724 1.00 0.00 C ATOM 554 C LEU A 378 19.784 -5.836 0.659 1.00 0.00 C ATOM 555 O LEU A 378 19.542 -6.372 -0.423 1.00 0.00 O ATOM 556 CB LEU A 378 20.075 -3.853 2.149 1.00 0.00 C ATOM 557 CG LEU A 378 18.598 -3.909 2.543 1.00 0.00 C ATOM 558 CD1 LEU A 378 18.434 -4.781 3.790 1.00 0.00 C ATOM 559 CD2 LEU A 378 18.098 -2.494 2.844 1.00 0.00 C ATOM 0 H LEU A 378 18.469 -3.595 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 378 21.297 -4.335 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 378 20.670 -4.447 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 378 20.441 -2.828 2.213 1.00 0.00 H new ATOM 0 HG LEU A 378 18.020 -4.335 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 378 17.381 -4.821 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 378 18.791 -5.789 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 378 19.012 -4.355 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 378 17.046 -2.532 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 378 18.677 -2.070 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 378 18.215 -1.871 1.957 1.00 0.00 H new ATOM 571 N ALA A 379 19.664 -6.468 1.822 1.00 0.00 N ATOM 572 CA ALA A 379 19.231 -7.860 1.883 1.00 0.00 C ATOM 573 C ALA A 379 20.329 -8.784 1.370 1.00 0.00 C ATOM 574 O ALA A 379 21.125 -9.311 2.146 1.00 0.00 O ATOM 575 CB ALA A 379 17.966 -8.050 1.046 1.00 0.00 C ATOM 0 H ALA A 379 19.859 -6.043 2.729 1.00 0.00 H new ATOM 0 HA ALA A 379 19.018 -8.111 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 379 17.649 -9.092 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 379 17.173 -7.410 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 379 18.172 -7.784 0.009 1.00 0.00 H new ATOM 581 N ASN A 380 20.363 -8.974 0.057 1.00 0.00 N ATOM 582 CA ASN A 380 21.366 -9.837 -0.555 1.00 0.00 C ATOM 583 C ASN A 380 21.624 -9.420 -1.999 1.00 0.00 C ATOM 584 O ASN A 380 20.688 -9.207 -2.769 1.00 0.00 O ATOM 585 CB ASN A 380 20.897 -11.292 -0.519 1.00 0.00 C ATOM 586 CG ASN A 380 22.094 -12.231 -0.625 1.00 0.00 C ATOM 587 OD1 ASN A 380 22.313 -13.060 0.257 1.00 0.00 O ATOM 588 ND2 ASN A 380 22.887 -12.146 -1.659 1.00 0.00 N ATOM 0 H ASN A 380 19.712 -8.545 -0.601 1.00 0.00 H new ATOM 0 HA ASN A 380 22.293 -9.740 0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 380 20.355 -11.485 0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 380 20.204 -11.479 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 380 23.691 -12.768 -1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 380 22.702 -11.457 -2.388 1.00 0.00 H new ATOM 595 N THR A 381 22.898 -9.303 -2.358 1.00 0.00 N ATOM 596 CA THR A 381 23.267 -8.909 -3.713 1.00 0.00 C ATOM 597 C THR A 381 24.560 -9.598 -4.138 1.00 0.00 C ATOM 598 O THR A 381 25.655 -9.135 -3.821 1.00 0.00 O ATOM 599 CB THR A 381 23.447 -7.391 -3.786 1.00 0.00 C ATOM 600 OG1 THR A 381 24.793 -7.061 -3.466 1.00 0.00 O ATOM 601 CG2 THR A 381 22.503 -6.715 -2.791 1.00 0.00 C ATOM 0 H THR A 381 23.687 -9.474 -1.735 1.00 0.00 H new ATOM 0 HA THR A 381 22.468 -9.212 -4.389 1.00 0.00 H new ATOM 0 HB THR A 381 23.216 -7.044 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 381 25.234 -7.839 -3.066 1.00 0.00 H new ATOM 0 HG21 THR A 381 22.632 -5.634 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 381 21.472 -6.970 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 381 22.731 -7.059 -1.782 1.00 0.00 H new ATOM 609 N ALA A 382 24.425 -10.707 -4.858 1.00 0.00 N ATOM 610 CA ALA A 382 25.589 -11.452 -5.322 1.00 0.00 C ATOM 611 C ALA A 382 26.430 -10.599 -6.267 1.00 0.00 C ATOM 612 O ALA A 382 25.897 -9.866 -7.101 1.00 0.00 O ATOM 613 CB ALA A 382 25.141 -12.726 -6.042 1.00 0.00 C ATOM 0 H ALA A 382 23.527 -11.107 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 382 26.195 -11.719 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 382 26.017 -13.277 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 382 24.567 -13.349 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 382 24.520 -12.461 -6.898 1.00 0.00 H new ATOM 619 N PRO A 383 27.726 -10.685 -6.147 1.00 0.00 N ATOM 620 CA PRO A 383 28.670 -9.911 -7.002 1.00 0.00 C ATOM 621 C PRO A 383 28.727 -10.449 -8.429 1.00 0.00 C ATOM 622 O PRO A 383 27.814 -11.144 -8.878 1.00 0.00 O ATOM 623 CB PRO A 383 30.017 -10.079 -6.299 1.00 0.00 C ATOM 624 CG PRO A 383 29.911 -11.356 -5.533 1.00 0.00 C ATOM 625 CD PRO A 383 28.433 -11.535 -5.178 1.00 0.00 C ATOM 0 HA PRO A 383 28.367 -8.869 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 383 30.833 -10.121 -7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 383 30.221 -9.239 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 383 30.270 -12.195 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 383 30.524 -11.319 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 383 28.126 -12.577 -5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 383 28.229 -11.226 -4.153 1.00 0.00 H new ATOM 633 N ALA A 384 29.806 -10.125 -9.137 1.00 0.00 N ATOM 634 CA ALA A 384 29.970 -10.581 -10.511 1.00 0.00 C ATOM 635 C ALA A 384 30.110 -12.099 -10.559 1.00 0.00 C ATOM 636 O ALA A 384 29.803 -12.730 -11.571 1.00 0.00 O ATOM 637 CB ALA A 384 31.210 -9.933 -11.130 1.00 0.00 C ATOM 0 H ALA A 384 30.573 -9.553 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 384 29.086 -10.291 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 384 31.327 -10.278 -12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 384 31.096 -8.849 -11.122 1.00 0.00 H new ATOM 0 HB3 ALA A 384 32.092 -10.209 -10.552 1.00 0.00 H new ATOM 643 N TRP A 385 30.574 -12.680 -9.457 1.00 0.00 N ATOM 644 CA TRP A 385 30.750 -14.126 -9.383 1.00 0.00 C ATOM 645 C TRP A 385 31.212 -14.541 -7.990 1.00 0.00 C ATOM 646 O TRP A 385 31.056 -15.703 -7.657 1.00 0.00 O ATOM 647 CB TRP A 385 31.779 -14.579 -10.422 1.00 0.00 C ATOM 648 CG TRP A 385 32.878 -15.329 -9.739 1.00 0.00 C ATOM 649 CD1 TRP A 385 32.846 -16.645 -9.428 1.00 0.00 C ATOM 650 CD2 TRP A 385 34.167 -14.831 -9.276 1.00 0.00 C ATOM 651 NE1 TRP A 385 34.032 -16.987 -8.806 1.00 0.00 N ATOM 652 CE2 TRP A 385 34.880 -15.904 -8.689 1.00 0.00 C ATOM 653 CE3 TRP A 385 34.782 -13.566 -9.310 1.00 0.00 C ATOM 654 CZ2 TRP A 385 36.157 -15.727 -8.152 1.00 0.00 C ATOM 655 CZ3 TRP A 385 36.067 -13.385 -8.772 1.00 0.00 C ATOM 656 CH2 TRP A 385 36.752 -14.464 -8.195 1.00 0.00 C ATOM 0 H TRP A 385 30.833 -12.176 -8.609 1.00 0.00 H new ATOM 0 HA TRP A 385 29.791 -14.601 -9.589 1.00 0.00 H new ATOM 0 HB2 TRP A 385 31.302 -15.212 -11.170 1.00 0.00 H new ATOM 0 HB3 TRP A 385 32.186 -13.715 -10.948 1.00 0.00 H new ATOM 0 HD1 TRP A 385 32.027 -17.319 -9.632 1.00 0.00 H new ATOM 0 HE1 TRP A 385 34.254 -17.926 -8.474 1.00 0.00 H new ATOM 0 HE3 TRP A 385 34.263 -12.729 -9.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 36.680 -16.560 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 36.530 -12.410 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 385 37.740 -14.318 -7.784 1.00 0.00 H new TER 667 TRP A 385