USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 472 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 1 THR N :NH3+ -135:sc= -0.0526 (180deg=-0.338) USER MOD Single : A 1 THR OG1 : rot 64:sc= 0.148 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.571 K(o=-0.57,f=-3.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.854 K(o=0.85,f=-3.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 40:sc= -2.66! USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= -0.0269 (180deg=-0.173) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.575 K(o=-0.57,f=-1.9) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 44 THR OG1 : rot -106:sc= -0.788 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.165 (180deg=-1.07) USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0177) USER MOD Single : A 51 THR OG1 : rot 67:sc= 0.513 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.778 31.439 -11.173 1.00 0.00 N ATOM 2 CA THR A 1 6.804 32.513 -11.516 1.00 0.00 C ATOM 3 C THR A 1 6.113 32.209 -12.848 1.00 0.00 C ATOM 4 O THR A 1 6.143 33.023 -13.773 1.00 0.00 O ATOM 5 CB THR A 1 7.550 33.844 -11.595 1.00 0.00 C ATOM 6 OG1 THR A 1 8.571 33.790 -12.577 1.00 0.00 O ATOM 7 CG2 THR A 1 8.192 34.246 -10.285 1.00 0.00 C ATOM 0 H1 THR A 1 7.670 31.180 -10.172 1.00 0.00 H new ATOM 0 H2 THR A 1 7.599 30.605 -11.768 1.00 0.00 H new ATOM 0 H3 THR A 1 8.746 31.782 -11.340 1.00 0.00 H new ATOM 0 HA THR A 1 6.035 32.567 -10.746 1.00 0.00 H new ATOM 0 HB THR A 1 6.794 34.585 -11.854 1.00 0.00 H new ATOM 0 HG1 THR A 1 8.168 33.656 -13.460 1.00 0.00 H new ATOM 0 HG21 THR A 1 8.705 35.199 -10.409 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.423 34.345 -9.518 1.00 0.00 H new ATOM 0 HG23 THR A 1 8.910 33.484 -9.983 1.00 0.00 H new ATOM 17 N THR A 2 5.490 31.038 -12.935 1.00 0.00 N ATOM 18 CA THR A 2 4.790 30.630 -14.147 1.00 0.00 C ATOM 19 C THR A 2 4.002 29.345 -13.911 1.00 0.00 C ATOM 20 O THR A 2 2.780 29.322 -14.056 1.00 0.00 O ATOM 21 CB THR A 2 5.784 30.430 -15.297 1.00 0.00 C ATOM 22 OG1 THR A 2 7.111 30.361 -14.804 1.00 0.00 O ATOM 23 CG2 THR A 2 5.736 31.543 -16.321 1.00 0.00 C ATOM 0 H THR A 2 5.456 30.354 -12.179 1.00 0.00 H new ATOM 0 HA THR A 2 4.091 31.422 -14.417 1.00 0.00 H new ATOM 0 HB THR A 2 5.491 29.497 -15.778 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.731 30.232 -15.552 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.462 31.344 -17.109 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.737 31.597 -16.753 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.974 32.491 -15.839 1.00 0.00 H new ATOM 31 N TYR A 3 4.710 28.290 -13.533 1.00 0.00 N ATOM 32 CA TYR A 3 4.077 27.003 -13.272 1.00 0.00 C ATOM 33 C TYR A 3 4.975 26.120 -12.410 1.00 0.00 C ATOM 34 O TYR A 3 5.971 25.579 -12.886 1.00 0.00 O ATOM 35 CB TYR A 3 3.751 26.295 -14.589 1.00 0.00 C ATOM 36 CG TYR A 3 2.271 26.238 -14.894 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.375 25.688 -13.986 1.00 0.00 C ATOM 38 CD2 TYR A 3 1.769 26.734 -16.091 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.022 25.634 -14.261 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.418 26.683 -16.374 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.452 26.133 -15.456 1.00 0.00 C ATOM 42 OH TYR A 3 -1.799 26.081 -15.734 1.00 0.00 O ATOM 0 H TYR A 3 5.721 28.299 -13.400 1.00 0.00 H new ATOM 0 HA TYR A 3 3.150 27.184 -12.728 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.262 26.808 -15.404 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.146 25.280 -14.554 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.742 25.296 -13.049 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.447 27.167 -16.812 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.661 25.203 -13.544 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.045 27.072 -17.310 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.967 26.475 -16.616 1.00 0.00 H new ATOM 52 N LYS A 4 4.613 25.981 -11.139 1.00 0.00 N ATOM 53 CA LYS A 4 5.385 25.165 -10.209 1.00 0.00 C ATOM 54 C LYS A 4 5.067 23.684 -10.395 1.00 0.00 C ATOM 55 O LYS A 4 3.963 23.324 -10.802 1.00 0.00 O ATOM 56 CB LYS A 4 5.091 25.583 -8.769 1.00 0.00 C ATOM 57 CG LYS A 4 3.652 25.337 -8.346 1.00 0.00 C ATOM 58 CD LYS A 4 3.059 26.552 -7.648 1.00 0.00 C ATOM 59 CE LYS A 4 1.916 26.162 -6.723 1.00 0.00 C ATOM 60 NZ LYS A 4 0.635 25.988 -7.469 1.00 0.00 N ATOM 0 H LYS A 4 3.790 26.423 -10.729 1.00 0.00 H new ATOM 0 HA LYS A 4 6.443 25.321 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.756 25.039 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.319 26.643 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.052 25.090 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.610 24.476 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.836 27.058 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.699 27.261 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.166 25.234 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.790 26.928 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.120 25.723 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.384 26.880 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.748 25.240 -8.182 1.00 0.00 H new ATOM 74 N LEU A 5 6.042 22.832 -10.092 1.00 0.00 N ATOM 75 CA LEU A 5 5.866 21.391 -10.226 1.00 0.00 C ATOM 76 C LEU A 5 4.725 20.902 -9.340 1.00 0.00 C ATOM 77 O LEU A 5 4.943 20.482 -8.204 1.00 0.00 O ATOM 78 CB LEU A 5 7.164 20.665 -9.856 1.00 0.00 C ATOM 79 CG LEU A 5 8.364 20.898 -10.792 1.00 0.00 C ATOM 80 CD1 LEU A 5 8.786 19.593 -11.445 1.00 0.00 C ATOM 81 CD2 LEU A 5 8.055 21.944 -11.858 1.00 0.00 C ATOM 0 H LEU A 5 6.961 23.115 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 5 5.617 21.171 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.451 20.968 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.960 19.595 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 5 9.186 21.277 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.635 19.774 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.070 18.876 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.956 19.191 -12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.927 22.080 -12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.210 21.611 -12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.807 22.891 -11.378 1.00 0.00 H new ATOM 93 N ILE A 6 3.507 20.962 -9.869 1.00 0.00 N ATOM 94 CA ILE A 6 2.330 20.530 -9.131 1.00 0.00 C ATOM 95 C ILE A 6 2.371 19.031 -8.846 1.00 0.00 C ATOM 96 O ILE A 6 1.981 18.217 -9.683 1.00 0.00 O ATOM 97 CB ILE A 6 1.038 20.869 -9.903 1.00 0.00 C ATOM 98 CG1 ILE A 6 -0.193 20.440 -9.104 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.046 20.206 -11.272 1.00 0.00 C ATOM 100 CD1 ILE A 6 -0.252 21.042 -7.717 1.00 0.00 C ATOM 0 H ILE A 6 3.311 21.307 -10.809 1.00 0.00 H new ATOM 0 HA ILE A 6 2.332 21.068 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 6 0.995 21.949 -10.045 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.090 20.725 -9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.202 19.353 -9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.127 20.456 -11.803 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.903 20.562 -11.844 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.113 19.125 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.151 20.695 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.627 20.737 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.275 22.129 -7.793 1.00 0.00 H new ATOM 112 N LEU A 7 2.841 18.674 -7.655 1.00 0.00 N ATOM 113 CA LEU A 7 2.926 17.275 -7.257 1.00 0.00 C ATOM 114 C LEU A 7 1.592 16.801 -6.690 1.00 0.00 C ATOM 115 O LEU A 7 0.725 17.611 -6.364 1.00 0.00 O ATOM 116 CB LEU A 7 4.035 17.082 -6.220 1.00 0.00 C ATOM 117 CG LEU A 7 5.427 17.524 -6.675 1.00 0.00 C ATOM 118 CD1 LEU A 7 6.247 18.009 -5.491 1.00 0.00 C ATOM 119 CD2 LEU A 7 6.140 16.384 -7.387 1.00 0.00 C ATOM 0 H LEU A 7 3.168 19.334 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 7 3.163 16.680 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.770 17.636 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.076 16.028 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 7 5.314 18.352 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.234 18.319 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.744 18.854 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.352 17.202 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.129 16.715 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.241 15.538 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.561 16.082 -8.260 1.00 0.00 H new ATOM 131 N ASN A 8 1.428 15.487 -6.578 1.00 0.00 N ATOM 132 CA ASN A 8 0.190 14.922 -6.053 1.00 0.00 C ATOM 133 C ASN A 8 0.429 13.561 -5.407 1.00 0.00 C ATOM 134 O ASN A 8 1.425 12.892 -5.682 1.00 0.00 O ATOM 135 CB ASN A 8 -0.848 14.797 -7.170 1.00 0.00 C ATOM 136 CG ASN A 8 -1.859 15.927 -7.146 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.798 16.812 -6.292 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.796 15.903 -8.086 1.00 0.00 N ATOM 0 H ASN A 8 2.132 14.797 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.187 15.598 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.341 14.787 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.369 13.844 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.503 16.637 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.809 15.150 -8.774 1.00 0.00 H new ATOM 145 N LEU A 9 -0.503 13.163 -4.550 1.00 0.00 N ATOM 146 CA LEU A 9 -0.423 11.885 -3.853 1.00 0.00 C ATOM 147 C LEU A 9 -0.991 10.758 -4.711 1.00 0.00 C ATOM 148 O LEU A 9 -0.565 9.611 -4.597 1.00 0.00 O ATOM 149 CB LEU A 9 -1.168 11.960 -2.522 1.00 0.00 C ATOM 150 CG LEU A 9 -2.572 12.560 -2.599 1.00 0.00 C ATOM 151 CD1 LEU A 9 -3.525 11.782 -1.710 1.00 0.00 C ATOM 152 CD2 LEU A 9 -2.546 14.030 -2.205 1.00 0.00 C ATOM 0 H LEU A 9 -1.331 13.713 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 9 0.628 11.670 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.241 10.955 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.575 12.551 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.926 12.490 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.521 12.220 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.563 10.743 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.176 11.824 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.554 14.441 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.175 14.127 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.890 14.577 -2.882 1.00 0.00 H new ATOM 164 N LYS A 10 -1.967 11.099 -5.556 1.00 0.00 N ATOM 165 CA LYS A 10 -2.623 10.129 -6.436 1.00 0.00 C ATOM 166 C LYS A 10 -1.653 9.059 -6.935 1.00 0.00 C ATOM 167 O LYS A 10 -1.925 7.867 -6.813 1.00 0.00 O ATOM 168 CB LYS A 10 -3.252 10.850 -7.630 1.00 0.00 C ATOM 169 CG LYS A 10 -4.578 11.519 -7.307 1.00 0.00 C ATOM 170 CD LYS A 10 -4.690 12.884 -7.966 1.00 0.00 C ATOM 171 CE LYS A 10 -6.112 13.415 -7.912 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.405 14.087 -6.615 1.00 0.00 N ATOM 0 H LYS A 10 -2.323 12.050 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.397 9.630 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.555 11.603 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.403 10.134 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.398 10.884 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.679 11.626 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.020 13.585 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.366 12.815 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.268 14.119 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.812 12.593 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.385 14.435 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.281 13.408 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.754 14.887 -6.484 1.00 0.00 H new ATOM 186 N GLN A 11 -0.520 9.482 -7.490 1.00 0.00 N ATOM 187 CA GLN A 11 0.481 8.539 -7.995 1.00 0.00 C ATOM 188 C GLN A 11 0.681 7.389 -7.010 1.00 0.00 C ATOM 189 O GLN A 11 0.833 6.230 -7.403 1.00 0.00 O ATOM 190 CB GLN A 11 1.812 9.254 -8.247 1.00 0.00 C ATOM 191 CG GLN A 11 2.172 10.274 -7.179 1.00 0.00 C ATOM 192 CD GLN A 11 3.595 10.116 -6.678 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.854 9.375 -5.731 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.527 10.816 -7.316 1.00 0.00 N ATOM 0 H GLN A 11 -0.271 10.465 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 11 0.119 8.130 -8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.607 8.511 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.767 9.755 -9.214 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.042 11.278 -7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.482 10.176 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.267 11.419 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.502 10.751 -7.025 1.00 0.00 H new ATOM 203 N ALA A 12 0.661 7.722 -5.725 1.00 0.00 N ATOM 204 CA ALA A 12 0.821 6.731 -4.672 1.00 0.00 C ATOM 205 C ALA A 12 -0.487 5.988 -4.427 1.00 0.00 C ATOM 206 O ALA A 12 -0.492 4.786 -4.168 1.00 0.00 O ATOM 207 CB ALA A 12 1.299 7.398 -3.393 1.00 0.00 C ATOM 0 H ALA A 12 0.535 8.676 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 12 1.570 6.006 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.415 6.646 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.257 7.885 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.568 8.141 -3.075 1.00 0.00 H new ATOM 213 N LYS A 13 -1.601 6.706 -4.519 1.00 0.00 N ATOM 214 CA LYS A 13 -2.909 6.104 -4.318 1.00 0.00 C ATOM 215 C LYS A 13 -3.072 4.915 -5.260 1.00 0.00 C ATOM 216 O LYS A 13 -3.662 3.896 -4.900 1.00 0.00 O ATOM 217 CB LYS A 13 -4.017 7.158 -4.505 1.00 0.00 C ATOM 218 CG LYS A 13 -5.153 6.742 -5.433 1.00 0.00 C ATOM 219 CD LYS A 13 -4.789 6.980 -6.887 1.00 0.00 C ATOM 220 CE LYS A 13 -5.432 5.948 -7.801 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.761 6.519 -9.136 1.00 0.00 N ATOM 0 H LYS A 13 -1.622 7.703 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.995 5.733 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.436 7.400 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.567 8.071 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.383 5.687 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.054 7.304 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.108 7.979 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.706 6.944 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.757 5.101 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.340 5.566 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.197 5.785 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.425 7.311 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.891 6.860 -9.592 1.00 0.00 H new ATOM 235 N GLU A 14 -2.523 5.052 -6.462 1.00 0.00 N ATOM 236 CA GLU A 14 -2.580 3.993 -7.456 1.00 0.00 C ATOM 237 C GLU A 14 -1.552 2.917 -7.125 1.00 0.00 C ATOM 238 O GLU A 14 -1.764 1.735 -7.397 1.00 0.00 O ATOM 239 CB GLU A 14 -2.324 4.557 -8.856 1.00 0.00 C ATOM 240 CG GLU A 14 -2.347 3.503 -9.952 1.00 0.00 C ATOM 241 CD GLU A 14 -3.756 3.141 -10.381 1.00 0.00 C ATOM 242 OE1 GLU A 14 -4.296 3.822 -11.279 1.00 0.00 O ATOM 243 OE2 GLU A 14 -4.318 2.178 -9.821 1.00 0.00 O ATOM 0 H GLU A 14 -2.032 5.891 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.576 3.551 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.076 5.314 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.356 5.057 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.791 3.869 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.836 2.607 -9.600 1.00 0.00 H new ATOM 250 N GLU A 15 -0.439 3.338 -6.527 1.00 0.00 N ATOM 251 CA GLU A 15 0.624 2.414 -6.144 1.00 0.00 C ATOM 252 C GLU A 15 0.070 1.275 -5.290 1.00 0.00 C ATOM 253 O GLU A 15 0.314 0.097 -5.562 1.00 0.00 O ATOM 254 CB GLU A 15 1.700 3.168 -5.359 1.00 0.00 C ATOM 255 CG GLU A 15 2.894 3.579 -6.199 1.00 0.00 C ATOM 256 CD GLU A 15 3.547 2.404 -6.900 1.00 0.00 C ATOM 257 OE1 GLU A 15 3.515 1.286 -6.342 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.092 2.601 -8.007 1.00 0.00 O ATOM 0 H GLU A 15 -0.251 4.314 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 15 1.058 1.989 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.256 4.059 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.044 2.540 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.576 4.310 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.629 4.071 -5.562 1.00 0.00 H new ATOM 265 N ALA A 16 -0.690 1.639 -4.263 1.00 0.00 N ATOM 266 CA ALA A 16 -1.288 0.658 -3.369 1.00 0.00 C ATOM 267 C ALA A 16 -2.545 0.059 -3.984 1.00 0.00 C ATOM 268 O ALA A 16 -2.757 -1.151 -3.926 1.00 0.00 O ATOM 269 CB ALA A 16 -1.597 1.294 -2.022 1.00 0.00 C ATOM 0 H ALA A 16 -0.906 2.608 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.573 -0.150 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.044 0.550 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.675 1.668 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.294 2.121 -2.161 1.00 0.00 H new ATOM 275 N ILE A 17 -3.374 0.911 -4.580 1.00 0.00 N ATOM 276 CA ILE A 17 -4.606 0.458 -5.214 1.00 0.00 C ATOM 277 C ILE A 17 -4.306 -0.644 -6.227 1.00 0.00 C ATOM 278 O ILE A 17 -5.009 -1.652 -6.289 1.00 0.00 O ATOM 279 CB ILE A 17 -5.346 1.635 -5.903 1.00 0.00 C ATOM 280 CG1 ILE A 17 -6.225 2.369 -4.888 1.00 0.00 C ATOM 281 CG2 ILE A 17 -6.185 1.163 -7.090 1.00 0.00 C ATOM 282 CD1 ILE A 17 -6.969 3.549 -5.473 1.00 0.00 C ATOM 0 H ILE A 17 -3.215 1.917 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.258 0.057 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.592 2.321 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.946 1.667 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.602 2.715 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.686 2.018 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.538 0.688 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.930 0.446 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.571 4.021 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.254 4.271 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.619 3.206 -6.278 1.00 0.00 H new ATOM 294 N LYS A 18 -3.250 -0.450 -7.010 1.00 0.00 N ATOM 295 CA LYS A 18 -2.853 -1.434 -8.007 1.00 0.00 C ATOM 296 C LYS A 18 -2.405 -2.726 -7.331 1.00 0.00 C ATOM 297 O LYS A 18 -2.854 -3.815 -7.690 1.00 0.00 O ATOM 298 CB LYS A 18 -1.725 -0.883 -8.882 1.00 0.00 C ATOM 299 CG LYS A 18 -1.666 -1.510 -10.266 1.00 0.00 C ATOM 300 CD LYS A 18 -1.207 -0.507 -11.313 1.00 0.00 C ATOM 301 CE LYS A 18 0.308 -0.385 -11.342 1.00 0.00 C ATOM 302 NZ LYS A 18 0.847 -0.500 -12.725 1.00 0.00 N ATOM 0 H LYS A 18 -2.656 0.378 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.715 -1.649 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.850 0.195 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.773 -1.046 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.985 -2.361 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.650 -1.894 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.567 -0.814 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.647 0.468 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.603 0.574 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.747 -1.161 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.883 -0.412 -12.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.587 -1.425 -13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.448 0.256 -13.317 1.00 0.00 H new ATOM 316 N GLU A 19 -1.518 -2.595 -6.348 1.00 0.00 N ATOM 317 CA GLU A 19 -1.011 -3.747 -5.616 1.00 0.00 C ATOM 318 C GLU A 19 -2.131 -4.467 -4.872 1.00 0.00 C ATOM 319 O GLU A 19 -2.163 -5.698 -4.812 1.00 0.00 O ATOM 320 CB GLU A 19 0.056 -3.291 -4.624 1.00 0.00 C ATOM 321 CG GLU A 19 1.167 -2.480 -5.268 1.00 0.00 C ATOM 322 CD GLU A 19 2.340 -3.338 -5.702 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.146 -4.211 -6.575 1.00 0.00 O ATOM 324 OE2 GLU A 19 3.451 -3.137 -5.171 1.00 0.00 O ATOM 0 H GLU A 19 -1.136 -1.700 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.578 -4.445 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.415 -2.694 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.489 -4.166 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.770 -1.950 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.515 -1.725 -4.564 1.00 0.00 H new ATOM 331 N LEU A 20 -3.040 -3.691 -4.296 1.00 0.00 N ATOM 332 CA LEU A 20 -4.156 -4.244 -3.539 1.00 0.00 C ATOM 333 C LEU A 20 -5.110 -5.033 -4.434 1.00 0.00 C ATOM 334 O LEU A 20 -5.538 -6.130 -4.081 1.00 0.00 O ATOM 335 CB LEU A 20 -4.915 -3.114 -2.834 1.00 0.00 C ATOM 336 CG LEU A 20 -4.729 -3.053 -1.317 1.00 0.00 C ATOM 337 CD1 LEU A 20 -3.401 -2.416 -0.958 1.00 0.00 C ATOM 338 CD2 LEU A 20 -5.881 -2.299 -0.671 1.00 0.00 C ATOM 0 H LEU A 20 -3.026 -2.672 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.750 -4.933 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.598 -2.163 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.978 -3.222 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.725 -4.073 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.294 -2.385 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.588 -3.003 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.365 -1.402 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.734 -2.265 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.917 -1.283 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.819 -2.808 -0.893 1.00 0.00 H new ATOM 350 N VAL A 21 -5.444 -4.471 -5.587 1.00 0.00 N ATOM 351 CA VAL A 21 -6.351 -5.129 -6.520 1.00 0.00 C ATOM 352 C VAL A 21 -5.707 -6.370 -7.133 1.00 0.00 C ATOM 353 O VAL A 21 -6.392 -7.334 -7.476 1.00 0.00 O ATOM 354 CB VAL A 21 -6.785 -4.174 -7.650 1.00 0.00 C ATOM 355 CG1 VAL A 21 -7.839 -4.826 -8.531 1.00 0.00 C ATOM 356 CG2 VAL A 21 -7.304 -2.865 -7.073 1.00 0.00 C ATOM 0 H VAL A 21 -5.102 -3.562 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.231 -5.426 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.913 -3.956 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.131 -4.135 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.431 -5.734 -8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.712 -5.077 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.606 -2.204 -7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.162 -3.065 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.517 -2.387 -6.489 1.00 0.00 H new ATOM 366 N ASP A 22 -4.388 -6.331 -7.277 1.00 0.00 N ATOM 367 CA ASP A 22 -3.642 -7.441 -7.863 1.00 0.00 C ATOM 368 C ASP A 22 -3.570 -8.647 -6.924 1.00 0.00 C ATOM 369 O ASP A 22 -3.381 -9.776 -7.376 1.00 0.00 O ATOM 370 CB ASP A 22 -2.228 -6.985 -8.233 1.00 0.00 C ATOM 371 CG ASP A 22 -2.047 -6.825 -9.729 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.723 -7.828 -10.399 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.227 -5.696 -10.233 1.00 0.00 O ATOM 0 H ASP A 22 -3.810 -5.540 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.175 -7.754 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.014 -6.037 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.505 -7.709 -7.857 1.00 0.00 H new ATOM 378 N ALA A 23 -3.700 -8.411 -5.621 1.00 0.00 N ATOM 379 CA ALA A 23 -3.623 -9.506 -4.649 1.00 0.00 C ATOM 380 C ALA A 23 -4.638 -9.352 -3.519 1.00 0.00 C ATOM 381 O ALA A 23 -4.931 -8.239 -3.082 1.00 0.00 O ATOM 382 CB ALA A 23 -2.215 -9.601 -4.072 1.00 0.00 C ATOM 0 H ALA A 23 -3.857 -7.488 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.864 -10.425 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.171 -10.418 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.504 -9.788 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.962 -8.665 -3.575 1.00 0.00 H new ATOM 388 N GLY A 24 -5.161 -10.482 -3.035 1.00 0.00 N ATOM 389 CA GLY A 24 -6.123 -10.450 -1.950 1.00 0.00 C ATOM 390 C GLY A 24 -5.655 -9.574 -0.805 1.00 0.00 C ATOM 391 O GLY A 24 -4.650 -9.872 -0.159 1.00 0.00 O ATOM 0 H GLY A 24 -4.933 -11.415 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.078 -10.081 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.293 -11.463 -1.586 1.00 0.00 H new ATOM 395 N THR A 25 -6.357 -8.471 -0.585 1.00 0.00 N ATOM 396 CA THR A 25 -5.982 -7.524 0.453 1.00 0.00 C ATOM 397 C THR A 25 -7.193 -7.026 1.246 1.00 0.00 C ATOM 398 O THR A 25 -8.262 -7.637 1.234 1.00 0.00 O ATOM 399 CB THR A 25 -5.306 -6.345 -0.205 1.00 0.00 C ATOM 400 OG1 THR A 25 -4.810 -5.440 0.766 1.00 0.00 O ATOM 401 CG2 THR A 25 -6.246 -5.588 -1.119 1.00 0.00 C ATOM 0 H THR A 25 -7.190 -8.211 -1.113 1.00 0.00 H new ATOM 0 HA THR A 25 -5.316 -8.028 1.153 1.00 0.00 H new ATOM 0 HB THR A 25 -4.486 -6.753 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.430 -5.942 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.717 -4.749 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.606 -6.254 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.093 -5.216 -0.542 1.00 0.00 H new ATOM 409 N ALA A 26 -7.006 -5.889 1.915 1.00 0.00 N ATOM 410 CA ALA A 26 -8.055 -5.251 2.694 1.00 0.00 C ATOM 411 C ALA A 26 -8.220 -3.798 2.241 1.00 0.00 C ATOM 412 O ALA A 26 -7.406 -2.942 2.576 1.00 0.00 O ATOM 413 CB ALA A 26 -7.733 -5.320 4.177 1.00 0.00 C ATOM 0 H ALA A 26 -6.118 -5.387 1.929 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.994 -5.780 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.529 -4.838 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.649 -6.363 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.789 -4.809 4.369 1.00 0.00 H new ATOM 419 N GLU A 27 -9.275 -3.550 1.471 1.00 0.00 N ATOM 420 CA GLU A 27 -9.574 -2.217 0.936 1.00 0.00 C ATOM 421 C GLU A 27 -9.189 -1.095 1.900 1.00 0.00 C ATOM 422 O GLU A 27 -8.775 -0.015 1.472 1.00 0.00 O ATOM 423 CB GLU A 27 -11.062 -2.109 0.596 1.00 0.00 C ATOM 424 CG GLU A 27 -11.975 -2.698 1.658 1.00 0.00 C ATOM 425 CD GLU A 27 -13.395 -2.894 1.162 1.00 0.00 C ATOM 426 OE1 GLU A 27 -13.638 -3.877 0.434 1.00 0.00 O ATOM 427 OE2 GLU A 27 -14.262 -2.062 1.504 1.00 0.00 O ATOM 0 H GLU A 27 -9.950 -4.265 1.198 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.972 -2.096 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.317 -1.059 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.247 -2.616 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.573 -3.656 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.985 -2.042 2.528 1.00 0.00 H new ATOM 434 N LYS A 28 -9.328 -1.348 3.195 1.00 0.00 N ATOM 435 CA LYS A 28 -8.994 -0.349 4.210 1.00 0.00 C ATOM 436 C LYS A 28 -7.618 0.275 3.961 1.00 0.00 C ATOM 437 O LYS A 28 -7.340 1.380 4.424 1.00 0.00 O ATOM 438 CB LYS A 28 -9.028 -0.966 5.610 1.00 0.00 C ATOM 439 CG LYS A 28 -10.216 -1.881 5.852 1.00 0.00 C ATOM 440 CD LYS A 28 -11.533 -1.213 5.492 1.00 0.00 C ATOM 441 CE LYS A 28 -12.573 -1.385 6.587 1.00 0.00 C ATOM 442 NZ LYS A 28 -12.190 -0.659 7.829 1.00 0.00 N ATOM 0 H LYS A 28 -9.669 -2.233 3.570 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.745 0.438 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.109 -1.530 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.043 -0.165 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.098 -2.791 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.236 -2.180 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.365 -0.151 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.912 -1.636 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.537 -1.019 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.696 -2.445 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.039 -0.478 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.520 -1.237 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.742 0.246 7.578 1.00 0.00 H new ATOM 456 N TYR A 29 -6.755 -0.444 3.244 1.00 0.00 N ATOM 457 CA TYR A 29 -5.405 0.047 2.961 1.00 0.00 C ATOM 458 C TYR A 29 -5.393 1.151 1.903 1.00 0.00 C ATOM 459 O TYR A 29 -4.851 2.230 2.140 1.00 0.00 O ATOM 460 CB TYR A 29 -4.493 -1.101 2.513 1.00 0.00 C ATOM 461 CG TYR A 29 -4.639 -2.361 3.339 1.00 0.00 C ATOM 462 CD1 TYR A 29 -5.083 -2.309 4.652 1.00 0.00 C ATOM 463 CD2 TYR A 29 -4.324 -3.598 2.799 1.00 0.00 C ATOM 464 CE1 TYR A 29 -5.211 -3.463 5.406 1.00 0.00 C ATOM 465 CE2 TYR A 29 -4.446 -4.751 3.540 1.00 0.00 C ATOM 466 CZ TYR A 29 -4.891 -4.679 4.842 1.00 0.00 C ATOM 467 OH TYR A 29 -5.016 -5.829 5.587 1.00 0.00 O ATOM 0 H TYR A 29 -6.963 -1.362 2.851 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.029 0.473 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.707 -1.336 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.456 -0.767 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.332 -1.355 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.977 -3.658 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.559 -3.411 6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.195 -5.706 3.104 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.752 -6.601 5.044 1.00 0.00 H new ATOM 477 N PHE A 30 -5.971 0.885 0.732 1.00 0.00 N ATOM 478 CA PHE A 30 -5.983 1.882 -0.337 1.00 0.00 C ATOM 479 C PHE A 30 -6.748 3.133 0.078 1.00 0.00 C ATOM 480 O PHE A 30 -6.511 4.218 -0.454 1.00 0.00 O ATOM 481 CB PHE A 30 -6.542 1.306 -1.647 1.00 0.00 C ATOM 482 CG PHE A 30 -7.994 0.907 -1.611 1.00 0.00 C ATOM 483 CD1 PHE A 30 -8.988 1.828 -1.310 1.00 0.00 C ATOM 484 CD2 PHE A 30 -8.363 -0.397 -1.897 1.00 0.00 C ATOM 485 CE1 PHE A 30 -10.318 1.453 -1.292 1.00 0.00 C ATOM 486 CE2 PHE A 30 -9.692 -0.777 -1.879 1.00 0.00 C ATOM 487 CZ PHE A 30 -10.670 0.149 -1.577 1.00 0.00 C ATOM 0 H PHE A 30 -6.430 0.003 0.502 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.947 2.167 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.406 2.045 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.950 0.433 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.719 2.850 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.603 -1.126 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.081 2.179 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.965 -1.798 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.709 -0.146 -1.564 1.00 0.00 H new ATOM 497 N LYS A 31 -7.660 2.984 1.033 1.00 0.00 N ATOM 498 CA LYS A 31 -8.446 4.115 1.514 1.00 0.00 C ATOM 499 C LYS A 31 -7.657 4.911 2.548 1.00 0.00 C ATOM 500 O LYS A 31 -7.883 6.107 2.733 1.00 0.00 O ATOM 501 CB LYS A 31 -9.765 3.632 2.120 1.00 0.00 C ATOM 502 CG LYS A 31 -10.993 4.161 1.399 1.00 0.00 C ATOM 503 CD LYS A 31 -12.248 3.407 1.807 1.00 0.00 C ATOM 504 CE LYS A 31 -13.424 3.755 0.907 1.00 0.00 C ATOM 505 NZ LYS A 31 -14.247 2.557 0.580 1.00 0.00 N ATOM 0 H LYS A 31 -7.873 2.096 1.487 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.667 4.763 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.785 2.542 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.808 3.936 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.117 5.221 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.849 4.074 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.060 2.334 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.497 3.645 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.048 4.501 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.055 4.205 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.038 2.836 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.658 1.855 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.621 2.142 1.458 1.00 0.00 H new ATOM 519 N LEU A 32 -6.733 4.234 3.219 1.00 0.00 N ATOM 520 CA LEU A 32 -5.906 4.865 4.236 1.00 0.00 C ATOM 521 C LEU A 32 -4.732 5.605 3.602 1.00 0.00 C ATOM 522 O LEU A 32 -4.290 6.636 4.106 1.00 0.00 O ATOM 523 CB LEU A 32 -5.396 3.807 5.216 1.00 0.00 C ATOM 524 CG LEU A 32 -5.870 3.982 6.660 1.00 0.00 C ATOM 525 CD1 LEU A 32 -6.137 2.630 7.303 1.00 0.00 C ATOM 526 CD2 LEU A 32 -4.843 4.765 7.466 1.00 0.00 C ATOM 0 H LEU A 32 -6.538 3.243 3.075 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.513 5.593 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.710 2.825 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.306 3.817 5.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.803 4.546 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.473 2.775 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.908 2.105 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.221 2.039 7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.196 4.880 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.895 4.227 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.702 5.749 7.018 1.00 0.00 H new ATOM 538 N ILE A 33 -4.229 5.067 2.495 1.00 0.00 N ATOM 539 CA ILE A 33 -3.102 5.676 1.798 1.00 0.00 C ATOM 540 C ILE A 33 -3.543 6.889 0.979 1.00 0.00 C ATOM 541 O ILE A 33 -2.898 7.936 1.010 1.00 0.00 O ATOM 542 CB ILE A 33 -2.386 4.665 0.878 1.00 0.00 C ATOM 543 CG1 ILE A 33 -3.391 3.902 0.012 1.00 0.00 C ATOM 544 CG2 ILE A 33 -1.563 3.692 1.710 1.00 0.00 C ATOM 545 CD1 ILE A 33 -3.128 4.021 -1.473 1.00 0.00 C ATOM 0 H ILE A 33 -4.583 4.213 2.063 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.401 6.004 2.566 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.721 5.219 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.372 2.849 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.394 4.271 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.062 2.983 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.818 4.243 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.219 3.152 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.880 3.455 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.176 5.069 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.138 3.625 -1.700 1.00 0.00 H new ATOM 557 N ALA A 34 -4.648 6.747 0.253 1.00 0.00 N ATOM 558 CA ALA A 34 -5.170 7.834 -0.563 1.00 0.00 C ATOM 559 C ALA A 34 -5.522 9.042 0.299 1.00 0.00 C ATOM 560 O ALA A 34 -5.541 10.176 -0.180 1.00 0.00 O ATOM 561 CB ALA A 34 -6.386 7.367 -1.347 1.00 0.00 C ATOM 0 H ALA A 34 -5.198 5.889 0.214 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.394 8.136 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.766 8.190 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.104 6.538 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.161 7.038 -0.655 1.00 0.00 H new ATOM 567 N ASN A 35 -5.800 8.790 1.575 1.00 0.00 N ATOM 568 CA ASN A 35 -6.151 9.854 2.507 1.00 0.00 C ATOM 569 C ASN A 35 -4.898 10.556 3.029 1.00 0.00 C ATOM 570 O ASN A 35 -4.948 11.723 3.419 1.00 0.00 O ATOM 571 CB ASN A 35 -6.967 9.285 3.672 1.00 0.00 C ATOM 572 CG ASN A 35 -7.299 10.333 4.717 1.00 0.00 C ATOM 573 OD1 ASN A 35 -7.291 11.532 4.436 1.00 0.00 O ATOM 574 ND2 ASN A 35 -7.593 9.884 5.932 1.00 0.00 N ATOM 0 H ASN A 35 -5.789 7.857 1.986 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.756 10.590 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.892 8.855 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.409 8.474 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.824 10.542 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.588 8.882 6.120 1.00 0.00 H new ATOM 581 N ALA A 36 -3.775 9.841 3.033 1.00 0.00 N ATOM 582 CA ALA A 36 -2.515 10.403 3.506 1.00 0.00 C ATOM 583 C ALA A 36 -2.066 11.562 2.622 1.00 0.00 C ATOM 584 O ALA A 36 -1.916 11.407 1.410 1.00 0.00 O ATOM 585 CB ALA A 36 -1.439 9.331 3.551 1.00 0.00 C ATOM 0 H ALA A 36 -3.713 8.874 2.715 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.675 10.785 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.505 9.767 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.748 8.534 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.291 8.922 2.552 1.00 0.00 H new ATOM 591 N LYS A 37 -1.852 12.720 3.236 1.00 0.00 N ATOM 592 CA LYS A 37 -1.418 13.903 2.502 1.00 0.00 C ATOM 593 C LYS A 37 -0.026 13.697 1.916 1.00 0.00 C ATOM 594 O LYS A 37 0.313 14.269 0.879 1.00 0.00 O ATOM 595 CB LYS A 37 -1.425 15.122 3.410 1.00 0.00 C ATOM 596 CG LYS A 37 -1.716 16.426 2.681 1.00 0.00 C ATOM 597 CD LYS A 37 -2.679 17.308 3.465 1.00 0.00 C ATOM 598 CE LYS A 37 -3.184 18.461 2.616 1.00 0.00 C ATOM 599 NZ LYS A 37 -4.608 18.789 2.916 1.00 0.00 N ATOM 0 H LYS A 37 -1.972 12.865 4.239 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.117 14.068 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.172 14.978 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.457 15.201 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.784 16.965 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.139 16.208 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.523 16.711 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.179 17.698 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.564 19.340 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.084 18.206 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.916 19.581 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.203 17.958 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.699 19.057 3.917 1.00 0.00 H new ATOM 613 N THR A 38 0.779 12.877 2.584 1.00 0.00 N ATOM 614 CA THR A 38 2.134 12.595 2.127 1.00 0.00 C ATOM 615 C THR A 38 2.185 11.284 1.350 1.00 0.00 C ATOM 616 O THR A 38 1.529 10.309 1.715 1.00 0.00 O ATOM 617 CB THR A 38 3.094 12.534 3.315 1.00 0.00 C ATOM 618 OG1 THR A 38 2.562 11.723 4.349 1.00 0.00 O ATOM 619 CG2 THR A 38 3.400 13.888 3.907 1.00 0.00 C ATOM 0 H THR A 38 0.516 12.396 3.444 1.00 0.00 H new ATOM 0 HA THR A 38 2.441 13.403 1.462 1.00 0.00 H new ATOM 0 HB THR A 38 4.017 12.113 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.192 11.695 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.087 13.772 4.746 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.858 14.522 3.148 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.476 14.350 4.256 1.00 0.00 H new ATOM 627 N VAL A 39 2.966 11.269 0.275 1.00 0.00 N ATOM 628 CA VAL A 39 3.103 10.079 -0.555 1.00 0.00 C ATOM 629 C VAL A 39 3.891 8.990 0.165 1.00 0.00 C ATOM 630 O VAL A 39 3.614 7.801 0.004 1.00 0.00 O ATOM 631 CB VAL A 39 3.794 10.402 -1.892 1.00 0.00 C ATOM 632 CG1 VAL A 39 2.912 11.299 -2.748 1.00 0.00 C ATOM 633 CG2 VAL A 39 5.150 11.049 -1.649 1.00 0.00 C ATOM 0 H VAL A 39 3.514 12.069 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 39 2.094 9.718 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 39 3.954 9.469 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.418 11.516 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.968 10.794 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.717 12.231 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.624 11.270 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.017 11.974 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.782 10.367 -1.080 1.00 0.00 H new ATOM 643 N GLU A 40 4.876 9.400 0.961 1.00 0.00 N ATOM 644 CA GLU A 40 5.704 8.455 1.707 1.00 0.00 C ATOM 645 C GLU A 40 4.840 7.508 2.538 1.00 0.00 C ATOM 646 O GLU A 40 5.246 6.385 2.840 1.00 0.00 O ATOM 647 CB GLU A 40 6.677 9.204 2.617 1.00 0.00 C ATOM 648 CG GLU A 40 7.538 10.218 1.882 1.00 0.00 C ATOM 649 CD GLU A 40 8.334 9.596 0.751 1.00 0.00 C ATOM 650 OE1 GLU A 40 7.710 9.108 -0.214 1.00 0.00 O ATOM 651 OE2 GLU A 40 9.580 9.596 0.831 1.00 0.00 O ATOM 0 H GLU A 40 5.120 10.380 1.106 1.00 0.00 H new ATOM 0 HA GLU A 40 6.271 7.864 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.112 9.716 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.325 8.482 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.902 11.008 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.223 10.687 2.588 1.00 0.00 H new ATOM 658 N GLY A 41 3.644 7.967 2.893 1.00 0.00 N ATOM 659 CA GLY A 41 2.737 7.149 3.674 1.00 0.00 C ATOM 660 C GLY A 41 2.060 6.106 2.821 1.00 0.00 C ATOM 661 O GLY A 41 1.804 4.986 3.267 1.00 0.00 O ATOM 0 H GLY A 41 3.287 8.892 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.287 6.661 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.984 7.783 4.141 1.00 0.00 H new ATOM 665 N VAL A 42 1.773 6.484 1.587 1.00 0.00 N ATOM 666 CA VAL A 42 1.122 5.594 0.645 1.00 0.00 C ATOM 667 C VAL A 42 2.093 4.547 0.119 1.00 0.00 C ATOM 668 O VAL A 42 1.784 3.356 0.095 1.00 0.00 O ATOM 669 CB VAL A 42 0.545 6.378 -0.543 1.00 0.00 C ATOM 670 CG1 VAL A 42 -0.039 5.427 -1.572 1.00 0.00 C ATOM 671 CG2 VAL A 42 -0.498 7.378 -0.070 1.00 0.00 C ATOM 0 H VAL A 42 1.983 7.409 1.213 1.00 0.00 H new ATOM 0 HA VAL A 42 0.312 5.097 1.180 1.00 0.00 H new ATOM 0 HB VAL A 42 1.353 6.935 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.444 5.999 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.742 4.759 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.835 4.840 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.894 7.923 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.309 6.849 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.039 8.080 0.626 1.00 0.00 H new ATOM 681 N TRP A 43 3.264 4.999 -0.311 1.00 0.00 N ATOM 682 CA TRP A 43 4.269 4.093 -0.847 1.00 0.00 C ATOM 683 C TRP A 43 4.709 3.095 0.219 1.00 0.00 C ATOM 684 O TRP A 43 5.052 1.953 -0.090 1.00 0.00 O ATOM 685 CB TRP A 43 5.469 4.883 -1.386 1.00 0.00 C ATOM 686 CG TRP A 43 5.182 5.556 -2.700 1.00 0.00 C ATOM 687 CD1 TRP A 43 4.607 6.784 -2.891 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.441 5.032 -4.009 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.511 7.058 -4.232 1.00 0.00 N ATOM 690 CE2 TRP A 43 5.013 6.000 -4.939 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.997 3.842 -4.487 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.124 5.814 -6.314 1.00 0.00 C ATOM 693 CZ3 TRP A 43 6.104 3.658 -5.853 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.670 4.640 -6.752 1.00 0.00 C ATOM 0 H TRP A 43 3.539 5.981 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 43 3.830 3.535 -1.674 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.761 5.636 -0.654 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.317 4.209 -1.506 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.277 7.442 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.127 7.912 -4.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.337 3.080 -3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.791 6.570 -7.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.530 2.741 -6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.769 4.466 -7.813 1.00 0.00 H new ATOM 705 N THR A 44 4.669 3.521 1.479 1.00 0.00 N ATOM 706 CA THR A 44 5.039 2.647 2.585 1.00 0.00 C ATOM 707 C THR A 44 4.006 1.534 2.721 1.00 0.00 C ATOM 708 O THR A 44 4.346 0.348 2.743 1.00 0.00 O ATOM 709 CB THR A 44 5.141 3.437 3.891 1.00 0.00 C ATOM 710 OG1 THR A 44 4.078 4.368 4.004 1.00 0.00 O ATOM 711 CG2 THR A 44 6.442 4.200 4.029 1.00 0.00 C ATOM 0 H THR A 44 4.386 4.461 1.757 1.00 0.00 H new ATOM 0 HA THR A 44 6.016 2.211 2.377 1.00 0.00 H new ATOM 0 HB THR A 44 5.092 2.690 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.418 5.273 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.449 4.738 4.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.278 3.501 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.536 4.910 3.208 1.00 0.00 H new ATOM 719 N LEU A 45 2.735 1.926 2.788 1.00 0.00 N ATOM 720 CA LEU A 45 1.650 0.960 2.893 1.00 0.00 C ATOM 721 C LEU A 45 1.678 0.024 1.691 1.00 0.00 C ATOM 722 O LEU A 45 1.331 -1.152 1.796 1.00 0.00 O ATOM 723 CB LEU A 45 0.298 1.674 2.983 1.00 0.00 C ATOM 724 CG LEU A 45 -0.508 1.371 4.248 1.00 0.00 C ATOM 725 CD1 LEU A 45 -0.142 2.338 5.363 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.000 1.416 3.960 1.00 0.00 C ATOM 0 H LEU A 45 2.435 2.901 2.771 1.00 0.00 H new ATOM 0 HA LEU A 45 1.785 0.376 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.467 2.749 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.300 1.399 2.114 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.258 0.363 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.726 2.105 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.920 2.245 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.357 3.358 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.554 1.198 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.271 2.408 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.246 0.674 3.200 1.00 0.00 H new ATOM 737 N LYS A 46 2.121 0.554 0.551 1.00 0.00 N ATOM 738 CA LYS A 46 2.224 -0.235 -0.668 1.00 0.00 C ATOM 739 C LYS A 46 3.196 -1.387 -0.450 1.00 0.00 C ATOM 740 O LYS A 46 3.008 -2.488 -0.967 1.00 0.00 O ATOM 741 CB LYS A 46 2.693 0.638 -1.833 1.00 0.00 C ATOM 742 CG LYS A 46 2.767 -0.104 -3.157 1.00 0.00 C ATOM 743 CD LYS A 46 4.070 0.181 -3.886 1.00 0.00 C ATOM 744 CE LYS A 46 5.269 -0.332 -3.105 1.00 0.00 C ATOM 745 NZ LYS A 46 6.319 -0.892 -4.001 1.00 0.00 N ATOM 0 H LYS A 46 2.413 1.526 0.450 1.00 0.00 H new ATOM 0 HA LYS A 46 1.241 -0.636 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.015 1.485 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.677 1.045 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.675 -1.176 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.926 0.188 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.048 -0.288 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.171 1.254 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.692 0.481 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.943 -1.100 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.911 -1.560 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.868 -1.388 -4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.912 -0.119 -4.366 1.00 0.00 H new ATOM 759 N ASP A 47 4.229 -1.125 0.344 1.00 0.00 N ATOM 760 CA ASP A 47 5.218 -2.142 0.659 1.00 0.00 C ATOM 761 C ASP A 47 4.580 -3.228 1.515 1.00 0.00 C ATOM 762 O ASP A 47 4.970 -4.395 1.455 1.00 0.00 O ATOM 763 CB ASP A 47 6.408 -1.523 1.395 1.00 0.00 C ATOM 764 CG ASP A 47 7.616 -2.440 1.414 1.00 0.00 C ATOM 765 OD1 ASP A 47 7.471 -3.594 1.866 1.00 0.00 O ATOM 766 OD2 ASP A 47 8.696 -2.000 0.976 1.00 0.00 O ATOM 0 H ASP A 47 4.400 -0.218 0.779 1.00 0.00 H new ATOM 0 HA ASP A 47 5.580 -2.582 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.678 -0.581 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.117 -1.289 2.419 1.00 0.00 H new ATOM 771 N GLU A 48 3.582 -2.833 2.304 1.00 0.00 N ATOM 772 CA GLU A 48 2.871 -3.770 3.166 1.00 0.00 C ATOM 773 C GLU A 48 2.085 -4.777 2.329 1.00 0.00 C ATOM 774 O GLU A 48 2.230 -5.985 2.501 1.00 0.00 O ATOM 775 CB GLU A 48 1.926 -3.018 4.106 1.00 0.00 C ATOM 776 CG GLU A 48 2.039 -3.454 5.558 1.00 0.00 C ATOM 777 CD GLU A 48 0.766 -4.094 6.075 1.00 0.00 C ATOM 778 OE1 GLU A 48 -0.158 -3.347 6.457 1.00 0.00 O ATOM 779 OE2 GLU A 48 0.694 -5.340 6.096 1.00 0.00 O ATOM 0 H GLU A 48 3.249 -1.871 2.363 1.00 0.00 H new ATOM 0 HA GLU A 48 3.605 -4.310 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.134 -1.950 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.900 -3.165 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.863 -4.160 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.283 -2.589 6.175 1.00 0.00 H new ATOM 786 N ILE A 49 1.259 -4.271 1.417 1.00 0.00 N ATOM 787 CA ILE A 49 0.459 -5.127 0.550 1.00 0.00 C ATOM 788 C ILE A 49 1.351 -6.080 -0.247 1.00 0.00 C ATOM 789 O ILE A 49 0.927 -7.170 -0.630 1.00 0.00 O ATOM 790 CB ILE A 49 -0.400 -4.293 -0.428 1.00 0.00 C ATOM 791 CG1 ILE A 49 -1.115 -5.199 -1.437 1.00 0.00 C ATOM 792 CG2 ILE A 49 0.459 -3.270 -1.154 1.00 0.00 C ATOM 793 CD1 ILE A 49 -1.832 -6.367 -0.799 1.00 0.00 C ATOM 0 H ILE A 49 1.127 -3.272 1.260 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.204 -5.706 1.193 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.156 -3.764 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.835 -4.605 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.386 -5.578 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.163 -2.692 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.919 -2.600 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.238 -3.783 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.315 -6.964 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.114 -6.984 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.585 -5.996 -0.104 1.00 0.00 H new ATOM 805 N LYS A 50 2.586 -5.657 -0.498 1.00 0.00 N ATOM 806 CA LYS A 50 3.535 -6.465 -1.256 1.00 0.00 C ATOM 807 C LYS A 50 4.040 -7.655 -0.442 1.00 0.00 C ATOM 808 O LYS A 50 4.279 -8.733 -0.990 1.00 0.00 O ATOM 809 CB LYS A 50 4.717 -5.607 -1.707 1.00 0.00 C ATOM 810 CG LYS A 50 4.508 -4.945 -3.059 1.00 0.00 C ATOM 811 CD LYS A 50 5.800 -4.347 -3.592 1.00 0.00 C ATOM 812 CE LYS A 50 6.458 -5.260 -4.613 1.00 0.00 C ATOM 813 NZ LYS A 50 7.463 -6.163 -3.987 1.00 0.00 N ATOM 0 H LYS A 50 2.953 -4.758 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 50 3.012 -6.853 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.902 -4.836 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.611 -6.229 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.125 -5.678 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.754 -4.163 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.593 -3.379 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.488 -4.169 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.694 -5.857 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.941 -4.656 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.416 -5.899 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.411 -6.076 -2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.265 -7.146 -4.262 1.00 0.00 H new ATOM 827 N THR A 51 4.214 -7.458 0.861 1.00 0.00 N ATOM 828 CA THR A 51 4.704 -8.525 1.732 1.00 0.00 C ATOM 829 C THR A 51 3.566 -9.194 2.480 1.00 0.00 C ATOM 830 O THR A 51 3.478 -10.422 2.523 1.00 0.00 O ATOM 831 CB THR A 51 5.725 -7.967 2.725 1.00 0.00 C ATOM 832 OG1 THR A 51 6.301 -6.770 2.235 1.00 0.00 O ATOM 833 CG2 THR A 51 6.851 -8.929 3.026 1.00 0.00 C ATOM 0 H THR A 51 4.025 -6.576 1.337 1.00 0.00 H new ATOM 0 HA THR A 51 5.184 -9.276 1.104 1.00 0.00 H new ATOM 0 HB THR A 51 5.166 -7.787 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.617 -6.069 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.540 -8.472 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.443 -9.845 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.384 -9.165 2.105 1.00 0.00 H new ATOM 841 N PHE A 52 2.698 -8.388 3.080 1.00 0.00 N ATOM 842 CA PHE A 52 1.566 -8.909 3.839 1.00 0.00 C ATOM 843 C PHE A 52 2.034 -9.808 4.978 1.00 0.00 C ATOM 844 O PHE A 52 1.265 -10.622 5.502 1.00 0.00 O ATOM 845 CB PHE A 52 0.619 -9.681 2.920 1.00 0.00 C ATOM 846 CG PHE A 52 -0.764 -9.099 2.862 1.00 0.00 C ATOM 847 CD1 PHE A 52 -0.993 -7.904 2.193 1.00 0.00 C ATOM 848 CD2 PHE A 52 -1.830 -9.739 3.475 1.00 0.00 C ATOM 849 CE1 PHE A 52 -2.263 -7.359 2.139 1.00 0.00 C ATOM 850 CE2 PHE A 52 -3.099 -9.196 3.420 1.00 0.00 C ATOM 851 CZ PHE A 52 -3.316 -8.005 2.753 1.00 0.00 C ATOM 0 H PHE A 52 2.756 -7.370 3.056 1.00 0.00 H new ATOM 0 HA PHE A 52 1.033 -8.061 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.038 -9.702 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.556 -10.714 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.172 -7.395 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.667 -10.669 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.430 -6.429 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.923 -9.703 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.308 -7.581 2.713 1.00 0.00 H new ATOM 861 N THR A 53 3.297 -9.659 5.362 1.00 0.00 N ATOM 862 CA THR A 53 3.873 -10.456 6.442 1.00 0.00 C ATOM 863 C THR A 53 3.912 -11.937 6.065 1.00 0.00 C ATOM 864 O THR A 53 2.976 -12.458 5.459 1.00 0.00 O ATOM 865 CB THR A 53 3.081 -10.238 7.743 1.00 0.00 C ATOM 866 OG1 THR A 53 3.960 -9.969 8.820 1.00 0.00 O ATOM 867 CG2 THR A 53 2.212 -11.416 8.152 1.00 0.00 C ATOM 0 H THR A 53 3.944 -8.992 4.941 1.00 0.00 H new ATOM 0 HA THR A 53 4.900 -10.129 6.605 1.00 0.00 H new ATOM 0 HB THR A 53 2.426 -9.394 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.441 -9.831 9.640 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.689 -11.178 9.078 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.484 -11.621 7.367 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.839 -12.295 8.304 1.00 0.00 H new ATOM 875 N VAL A 54 4.999 -12.601 6.424 1.00 0.00 N ATOM 876 CA VAL A 54 5.159 -14.021 6.129 1.00 0.00 C ATOM 877 C VAL A 54 5.513 -14.808 7.385 1.00 0.00 C ATOM 878 O VAL A 54 4.960 -15.882 7.636 1.00 0.00 O ATOM 879 CB VAL A 54 6.255 -14.250 5.070 1.00 0.00 C ATOM 880 CG1 VAL A 54 6.262 -15.698 4.608 1.00 0.00 C ATOM 881 CG2 VAL A 54 6.073 -13.306 3.889 1.00 0.00 C ATOM 0 H VAL A 54 5.785 -12.182 6.920 1.00 0.00 H new ATOM 0 HA VAL A 54 4.204 -14.374 5.740 1.00 0.00 H new ATOM 0 HB VAL A 54 7.220 -14.035 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.043 -15.838 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.454 -16.351 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.294 -15.945 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.858 -13.486 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.100 -13.481 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.131 -12.274 4.236 1.00 0.00 H new ATOM 891 N THR A 55 6.434 -14.273 8.181 1.00 0.00 N ATOM 892 CA THR A 55 6.858 -14.921 9.409 1.00 0.00 C ATOM 893 C THR A 55 7.373 -13.900 10.422 1.00 0.00 C ATOM 894 O THR A 55 8.093 -12.969 10.064 1.00 0.00 O ATOM 895 CB THR A 55 7.956 -15.955 9.120 1.00 0.00 C ATOM 896 OG1 THR A 55 7.567 -16.802 8.052 1.00 0.00 O ATOM 897 CG2 THR A 55 8.289 -16.827 10.306 1.00 0.00 C ATOM 0 H THR A 55 6.901 -13.386 7.992 1.00 0.00 H new ATOM 0 HA THR A 55 5.990 -15.425 9.833 1.00 0.00 H new ATOM 0 HB THR A 55 8.843 -15.376 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.276 -17.455 7.877 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.072 -17.533 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.637 -16.204 11.130 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.399 -17.375 10.616 1.00 0.00 H new ATOM 905 N GLU A 56 6.995 -14.072 11.678 1.00 0.00 N ATOM 906 CA GLU A 56 7.409 -13.165 12.741 1.00 0.00 C ATOM 907 C GLU A 56 7.512 -13.894 14.076 1.00 0.00 C ATOM 908 O GLU A 56 8.179 -13.367 14.989 1.00 0.00 O ATOM 909 CB GLU A 56 6.430 -11.994 12.852 1.00 0.00 C ATOM 910 CG GLU A 56 5.016 -12.426 13.209 1.00 0.00 C ATOM 911 CD GLU A 56 4.719 -12.294 14.686 1.00 0.00 C ATOM 912 OE1 GLU A 56 5.012 -11.225 15.259 1.00 0.00 O ATOM 913 OE2 GLU A 56 4.184 -13.266 15.275 1.00 0.00 O ATOM 914 OXT GLU A 56 6.916 -14.983 14.195 1.00 0.00 O ATOM 0 H GLU A 56 6.397 -14.837 11.990 1.00 0.00 H new ATOM 0 HA GLU A 56 8.396 -12.778 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.792 -11.297 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.410 -11.455 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.304 -11.824 12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.870 -13.462 12.905 1.00 0.00 H new TER 921 GLU A 56