USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 263 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 LYS N :NH3+ 129:sc= 0.0991 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.991) USER MOD Single : A 10 SER OG : rot 5:sc= 0.4 USER MOD Single : A 13 SER OG : rot -55:sc= 0.275 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -16:sc= 0.224 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -65:sc= 2.34 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.919 -3.392 -0.559 1.00 0.00 N ATOM 2 CA LYS A 1 -13.954 -2.973 -1.600 1.00 0.00 C ATOM 3 C LYS A 1 -12.585 -2.808 -0.967 1.00 0.00 C ATOM 4 O LYS A 1 -12.496 -2.559 0.231 1.00 0.00 O ATOM 5 CB LYS A 1 -14.436 -1.652 -2.215 1.00 0.00 C ATOM 6 CG LYS A 1 -13.669 -1.231 -3.462 1.00 0.00 C ATOM 7 CD LYS A 1 -13.081 0.165 -3.316 1.00 0.00 C ATOM 8 CE LYS A 1 -14.165 1.222 -3.159 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.605 2.526 -2.715 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.752 -2.771 -0.588 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.213 -4.374 -0.734 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.470 -3.326 0.377 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.884 -3.724 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.493 -1.744 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.353 -0.864 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.868 -1.945 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.334 -1.257 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.419 0.192 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.472 0.396 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.684 1.354 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.905 0.879 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.377 3.144 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.938 2.369 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.108 2.978 -3.508 1.00 0.00 H new ATOM 25 N CYS A 2 -11.536 -2.971 -1.756 1.00 0.00 N ATOM 26 CA CYS A 2 -10.179 -2.848 -1.256 1.00 0.00 C ATOM 27 C CYS A 2 -9.211 -2.607 -2.404 1.00 0.00 C ATOM 28 O CYS A 2 -9.539 -2.848 -3.569 1.00 0.00 O ATOM 29 CB CYS A 2 -9.782 -4.094 -0.452 1.00 0.00 C ATOM 30 SG CYS A 2 -10.005 -5.675 -1.332 1.00 0.00 S ATOM 0 H CYS A 2 -11.600 -3.190 -2.750 1.00 0.00 H new ATOM 0 HA CYS A 2 -10.133 -1.989 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.736 -4.002 -0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.369 -4.119 0.466 1.00 0.00 H new ATOM 35 N LEU A 3 -8.036 -2.112 -2.064 1.00 0.00 N ATOM 36 CA LEU A 3 -6.998 -1.811 -3.031 1.00 0.00 C ATOM 37 C LEU A 3 -6.270 -3.084 -3.440 1.00 0.00 C ATOM 38 O LEU A 3 -5.922 -3.902 -2.595 1.00 0.00 O ATOM 39 CB LEU A 3 -6.024 -0.816 -2.413 1.00 0.00 C ATOM 40 CG LEU A 3 -6.651 0.509 -1.980 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.638 1.364 -1.244 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.206 1.259 -3.182 1.00 0.00 C ATOM 0 H LEU A 3 -7.773 -1.906 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.445 -1.377 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.554 -1.280 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.232 -0.609 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.475 0.290 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.104 2.303 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.289 0.833 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.792 1.572 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.648 2.199 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.400 1.464 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.968 0.651 -3.670 1.00 0.00 H new ATOM 54 N ALA A 4 -6.052 -3.259 -4.733 1.00 0.00 N ATOM 55 CA ALA A 4 -5.385 -4.453 -5.232 1.00 0.00 C ATOM 56 C ALA A 4 -3.870 -4.385 -5.041 1.00 0.00 C ATOM 57 O ALA A 4 -3.355 -3.547 -4.298 1.00 0.00 O ATOM 58 CB ALA A 4 -5.726 -4.662 -6.702 1.00 0.00 C ATOM 0 H ALA A 4 -6.326 -2.593 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.746 -5.302 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.223 -5.557 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.804 -4.780 -6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.395 -3.798 -7.279 1.00 0.00 H new ATOM 64 N GLU A 5 -3.167 -5.283 -5.716 1.00 0.00 N ATOM 65 CA GLU A 5 -1.722 -5.352 -5.636 1.00 0.00 C ATOM 66 C GLU A 5 -1.086 -4.169 -6.347 1.00 0.00 C ATOM 67 O GLU A 5 -1.486 -3.810 -7.454 1.00 0.00 O ATOM 68 CB GLU A 5 -1.224 -6.662 -6.242 1.00 0.00 C ATOM 69 CG GLU A 5 0.280 -6.848 -6.149 1.00 0.00 C ATOM 70 CD GLU A 5 0.725 -8.201 -6.661 1.00 0.00 C ATOM 71 OE1 GLU A 5 0.554 -8.464 -7.866 1.00 0.00 O ATOM 72 OE2 GLU A 5 1.231 -9.000 -5.849 1.00 0.00 O ATOM 0 H GLU A 5 -3.584 -5.981 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.433 -5.316 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.715 -7.494 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.522 -6.703 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.777 -6.064 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.594 -6.733 -5.112 1.00 0.00 H new ATOM 79 N ALA A 6 -0.109 -3.573 -5.679 1.00 0.00 N ATOM 80 CA ALA A 6 0.614 -2.416 -6.196 1.00 0.00 C ATOM 81 C ALA A 6 -0.332 -1.249 -6.420 1.00 0.00 C ATOM 82 O ALA A 6 -0.253 -0.555 -7.432 1.00 0.00 O ATOM 83 CB ALA A 6 1.356 -2.771 -7.479 1.00 0.00 C ATOM 0 H ALA A 6 0.207 -3.878 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 6 1.353 -2.115 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.888 -1.893 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.070 -3.570 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.642 -3.104 -8.232 1.00 0.00 H new ATOM 89 N ALA A 7 -1.230 -1.042 -5.469 1.00 0.00 N ATOM 90 CA ALA A 7 -2.202 0.045 -5.580 1.00 0.00 C ATOM 91 C ALA A 7 -1.900 1.155 -4.589 1.00 0.00 C ATOM 92 O ALA A 7 -1.604 0.883 -3.437 1.00 0.00 O ATOM 93 CB ALA A 7 -3.614 -0.481 -5.373 1.00 0.00 C ATOM 0 H ALA A 7 -1.310 -1.602 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.127 0.461 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.325 0.341 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.836 -1.234 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.694 -0.928 -4.382 1.00 0.00 H new ATOM 99 N ASP A 8 -1.982 2.400 -5.037 1.00 0.00 N ATOM 100 CA ASP A 8 -1.718 3.551 -4.174 1.00 0.00 C ATOM 101 C ASP A 8 -2.656 3.562 -2.967 1.00 0.00 C ATOM 102 O ASP A 8 -3.795 3.103 -3.048 1.00 0.00 O ATOM 103 CB ASP A 8 -1.842 4.857 -4.969 1.00 0.00 C ATOM 104 CG ASP A 8 -3.210 5.043 -5.601 1.00 0.00 C ATOM 105 OD1 ASP A 8 -4.153 5.440 -4.888 1.00 0.00 O ATOM 106 OD2 ASP A 8 -3.338 4.772 -6.816 1.00 0.00 O ATOM 0 H ASP A 8 -2.230 2.643 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.697 3.467 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.637 5.699 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.082 4.873 -5.750 1.00 0.00 H new ATOM 111 N CYS A 9 -2.164 4.062 -1.840 1.00 0.00 N ATOM 112 CA CYS A 9 -2.958 4.108 -0.620 1.00 0.00 C ATOM 113 C CYS A 9 -2.632 5.334 0.216 1.00 0.00 C ATOM 114 O CYS A 9 -1.570 5.941 0.077 1.00 0.00 O ATOM 115 CB CYS A 9 -2.759 2.840 0.220 1.00 0.00 C ATOM 116 SG CYS A 9 -1.044 2.224 0.264 1.00 0.00 S ATOM 0 H CYS A 9 -1.221 4.440 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.003 4.168 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.086 3.040 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.404 2.054 -0.173 1.00 0.00 H new ATOM 121 N SER A 10 -3.565 5.688 1.083 1.00 0.00 N ATOM 122 CA SER A 10 -3.430 6.834 1.969 1.00 0.00 C ATOM 123 C SER A 10 -4.346 6.656 3.172 1.00 0.00 C ATOM 124 O SER A 10 -5.417 6.067 3.056 1.00 0.00 O ATOM 125 CB SER A 10 -3.769 8.134 1.232 1.00 0.00 C ATOM 126 OG SER A 10 -2.820 8.415 0.219 1.00 0.00 O ATOM 0 H SER A 10 -4.445 5.185 1.194 1.00 0.00 H new ATOM 0 HA SER A 10 -2.396 6.898 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.763 8.056 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.800 8.960 1.943 1.00 0.00 H new ATOM 0 HG SER A 10 -2.189 7.669 0.146 1.00 0.00 H new ATOM 132 N PRO A 11 -3.913 7.145 4.343 1.00 0.00 N ATOM 133 CA PRO A 11 -4.668 7.035 5.600 1.00 0.00 C ATOM 134 C PRO A 11 -6.107 7.538 5.485 1.00 0.00 C ATOM 135 O PRO A 11 -7.032 6.913 5.997 1.00 0.00 O ATOM 136 CB PRO A 11 -3.869 7.908 6.581 1.00 0.00 C ATOM 137 CG PRO A 11 -2.904 8.677 5.740 1.00 0.00 C ATOM 138 CD PRO A 11 -2.632 7.825 4.543 1.00 0.00 C ATOM 0 HA PRO A 11 -4.766 5.995 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.527 8.578 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.347 7.295 7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.323 9.640 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.985 8.883 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.349 8.422 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.821 7.119 4.723 1.00 0.00 H new ATOM 146 N TRP A 12 -6.293 8.669 4.816 1.00 0.00 N ATOM 147 CA TRP A 12 -7.629 9.232 4.649 1.00 0.00 C ATOM 148 C TRP A 12 -8.072 9.144 3.194 1.00 0.00 C ATOM 149 O TRP A 12 -9.160 8.665 2.890 1.00 0.00 O ATOM 150 CB TRP A 12 -7.670 10.689 5.117 1.00 0.00 C ATOM 151 CG TRP A 12 -7.268 10.873 6.549 1.00 0.00 C ATOM 152 CD1 TRP A 12 -8.053 10.686 7.650 1.00 0.00 C ATOM 153 CD2 TRP A 12 -5.991 11.305 7.036 1.00 0.00 C ATOM 154 NE1 TRP A 12 -7.339 10.956 8.791 1.00 0.00 N ATOM 155 CE2 TRP A 12 -6.071 11.340 8.441 1.00 0.00 C ATOM 156 CE3 TRP A 12 -4.786 11.658 6.421 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -4.994 11.715 9.240 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -3.717 12.031 7.215 1.00 0.00 C ATOM 159 CH2 TRP A 12 -3.828 12.056 8.611 1.00 0.00 C ATOM 0 H TRP A 12 -5.545 9.211 4.384 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.315 8.649 5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.011 11.283 4.484 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.679 11.077 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.086 10.371 7.627 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.694 10.883 9.744 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.692 11.640 5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.076 11.736 10.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.782 12.307 6.751 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.975 12.351 9.204 1.00 0.00 H new ATOM 170 N SER A 13 -7.218 9.614 2.296 1.00 0.00 N ATOM 171 CA SER A 13 -7.517 9.595 0.871 1.00 0.00 C ATOM 172 C SER A 13 -7.123 8.255 0.249 1.00 0.00 C ATOM 173 O SER A 13 -6.391 8.209 -0.738 1.00 0.00 O ATOM 174 CB SER A 13 -6.792 10.752 0.173 1.00 0.00 C ATOM 175 OG SER A 13 -7.163 10.852 -1.190 1.00 0.00 O ATOM 0 H SER A 13 -6.310 10.014 2.530 1.00 0.00 H new ATOM 0 HA SER A 13 -8.592 9.720 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.022 11.687 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.715 10.605 0.248 1.00 0.00 H new ATOM 0 HG SER A 13 -7.009 9.992 -1.635 1.00 0.00 H new ATOM 181 N GLY A 14 -7.601 7.168 0.834 1.00 0.00 N ATOM 182 CA GLY A 14 -7.276 5.854 0.325 1.00 0.00 C ATOM 183 C GLY A 14 -8.113 4.773 0.966 1.00 0.00 C ATOM 184 O GLY A 14 -8.461 4.868 2.141 1.00 0.00 O ATOM 0 H GLY A 14 -8.209 7.173 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.427 5.836 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.221 5.648 0.503 1.00 0.00 H new ATOM 188 N ASP A 15 -8.440 3.749 0.191 1.00 0.00 N ATOM 189 CA ASP A 15 -9.245 2.637 0.686 1.00 0.00 C ATOM 190 C ASP A 15 -8.354 1.648 1.434 1.00 0.00 C ATOM 191 O ASP A 15 -7.145 1.859 1.556 1.00 0.00 O ATOM 192 CB ASP A 15 -9.946 1.932 -0.482 1.00 0.00 C ATOM 193 CG ASP A 15 -11.279 1.319 -0.092 1.00 0.00 C ATOM 194 OD1 ASP A 15 -11.302 0.419 0.765 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.310 1.741 -0.660 1.00 0.00 O ATOM 0 H ASP A 15 -8.160 3.663 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.002 3.023 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.104 2.648 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.293 1.151 -0.872 1.00 0.00 H new ATOM 200 N SER A 16 -8.936 0.561 1.905 1.00 0.00 N ATOM 201 CA SER A 16 -8.174 -0.456 2.604 1.00 0.00 C ATOM 202 C SER A 16 -7.565 -1.413 1.593 1.00 0.00 C ATOM 203 O SER A 16 -8.193 -1.741 0.597 1.00 0.00 O ATOM 204 CB SER A 16 -9.060 -1.222 3.580 1.00 0.00 C ATOM 205 OG SER A 16 -9.885 -0.336 4.317 1.00 0.00 O ATOM 0 H SER A 16 -9.932 0.360 1.816 1.00 0.00 H new ATOM 0 HA SER A 16 -7.381 0.028 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.680 -1.933 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.439 -1.801 4.264 1.00 0.00 H new ATOM 0 HG SER A 16 -10.446 -0.849 4.935 1.00 0.00 H new ATOM 211 N CYS A 17 -6.349 -1.852 1.842 1.00 0.00 N ATOM 212 CA CYS A 17 -5.673 -2.771 0.934 1.00 0.00 C ATOM 213 C CYS A 17 -6.280 -4.167 1.035 1.00 0.00 C ATOM 214 O CYS A 17 -6.605 -4.630 2.131 1.00 0.00 O ATOM 215 CB CYS A 17 -4.182 -2.859 1.264 1.00 0.00 C ATOM 216 SG CYS A 17 -3.321 -1.256 1.318 1.00 0.00 S ATOM 0 H CYS A 17 -5.804 -1.591 2.664 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.800 -2.388 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.066 -3.352 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.696 -3.493 0.522 1.00 0.00 H new ATOM 221 N CYS A 18 -6.404 -4.847 -0.097 1.00 0.00 N ATOM 222 CA CYS A 18 -6.929 -6.201 -0.111 1.00 0.00 C ATOM 223 C CYS A 18 -5.949 -7.103 0.603 1.00 0.00 C ATOM 224 O CYS A 18 -4.739 -6.947 0.460 1.00 0.00 O ATOM 225 CB CYS A 18 -7.141 -6.716 -1.539 1.00 0.00 C ATOM 226 SG CYS A 18 -8.367 -5.792 -2.524 1.00 0.00 S ATOM 0 H CYS A 18 -6.148 -4.482 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.898 -6.200 0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.185 -6.692 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.451 -7.760 -1.489 1.00 0.00 H new ATOM 231 N LYS A 19 -6.461 -8.032 1.375 1.00 0.00 N ATOM 232 CA LYS A 19 -5.601 -8.933 2.103 1.00 0.00 C ATOM 233 C LYS A 19 -5.084 -10.016 1.165 1.00 0.00 C ATOM 234 O LYS A 19 -5.760 -10.390 0.209 1.00 0.00 O ATOM 235 CB LYS A 19 -6.334 -9.567 3.288 1.00 0.00 C ATOM 236 CG LYS A 19 -7.158 -8.593 4.124 1.00 0.00 C ATOM 237 CD LYS A 19 -8.575 -8.433 3.588 1.00 0.00 C ATOM 238 CE LYS A 19 -9.359 -9.736 3.679 1.00 0.00 C ATOM 239 NZ LYS A 19 -10.754 -9.582 3.181 1.00 0.00 N ATOM 0 H LYS A 19 -7.460 -8.183 1.514 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.761 -8.361 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.993 -10.350 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.601 -10.050 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.199 -8.945 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.665 -7.621 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.092 -7.656 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.537 -8.102 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.850 -10.507 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.379 -10.076 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.253 -10.491 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.248 -8.865 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.736 -9.282 2.185 1.00 0.00 H new ATOM 253 N PRO A 20 -3.868 -10.509 1.417 1.00 0.00 N ATOM 254 CA PRO A 20 -3.054 -10.080 2.539 1.00 0.00 C ATOM 255 C PRO A 20 -1.997 -9.029 2.175 1.00 0.00 C ATOM 256 O PRO A 20 -0.880 -9.076 2.688 1.00 0.00 O ATOM 257 CB PRO A 20 -2.383 -11.392 2.937 1.00 0.00 C ATOM 258 CG PRO A 20 -2.223 -12.154 1.650 1.00 0.00 C ATOM 259 CD PRO A 20 -3.186 -11.553 0.646 1.00 0.00 C ATOM 0 HA PRO A 20 -3.642 -9.592 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.419 -11.214 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.993 -11.946 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.197 -12.084 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.437 -13.212 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.662 -11.139 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.887 -12.296 0.267 1.00 0.00 H new ATOM 267 N TYR A 21 -2.336 -8.088 1.300 1.00 0.00 N ATOM 268 CA TYR A 21 -1.391 -7.047 0.905 1.00 0.00 C ATOM 269 C TYR A 21 -1.366 -5.929 1.939 1.00 0.00 C ATOM 270 O TYR A 21 -2.372 -5.643 2.589 1.00 0.00 O ATOM 271 CB TYR A 21 -1.719 -6.480 -0.481 1.00 0.00 C ATOM 272 CG TYR A 21 -1.823 -7.535 -1.564 1.00 0.00 C ATOM 273 CD1 TYR A 21 -2.968 -8.310 -1.713 1.00 0.00 C ATOM 274 CD2 TYR A 21 -0.771 -7.754 -2.439 1.00 0.00 C ATOM 275 CE1 TYR A 21 -3.056 -9.270 -2.703 1.00 0.00 C ATOM 276 CE2 TYR A 21 -0.851 -8.712 -3.429 1.00 0.00 C ATOM 277 CZ TYR A 21 -1.993 -9.467 -3.557 1.00 0.00 C ATOM 278 OH TYR A 21 -2.072 -10.421 -4.543 1.00 0.00 O ATOM 0 H TYR A 21 -3.251 -8.024 0.853 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.403 -7.504 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.661 -5.934 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.950 -5.760 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.802 -8.159 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.128 -7.164 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.953 -9.863 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.020 -8.868 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.238 -10.430 -5.057 1.00 0.00 H new ATOM 288 N LEU A 22 -0.207 -5.317 2.095 1.00 0.00 N ATOM 289 CA LEU A 22 -0.026 -4.246 3.059 1.00 0.00 C ATOM 290 C LEU A 22 0.374 -2.943 2.370 1.00 0.00 C ATOM 291 O LEU A 22 1.167 -2.949 1.427 1.00 0.00 O ATOM 292 CB LEU A 22 1.049 -4.656 4.071 1.00 0.00 C ATOM 293 CG LEU A 22 1.387 -3.616 5.141 1.00 0.00 C ATOM 294 CD1 LEU A 22 0.210 -3.416 6.084 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.628 -4.033 5.915 1.00 0.00 C ATOM 0 H LEU A 22 0.631 -5.546 1.561 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.972 -4.075 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.723 -5.569 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.961 -4.898 3.526 1.00 0.00 H new ATOM 0 HG LEU A 22 1.593 -2.667 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.470 -2.673 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.655 -3.071 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.029 -4.360 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.854 -3.282 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.450 -4.993 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.471 -4.123 5.230 1.00 0.00 H new ATOM 307 N CYS A 23 -0.166 -1.830 2.856 1.00 0.00 N ATOM 308 CA CYS A 23 0.152 -0.518 2.304 1.00 0.00 C ATOM 309 C CYS A 23 1.565 -0.131 2.712 1.00 0.00 C ATOM 310 O CYS A 23 1.818 0.233 3.861 1.00 0.00 O ATOM 311 CB CYS A 23 -0.852 0.529 2.795 1.00 0.00 C ATOM 312 SG CYS A 23 -0.529 2.235 2.229 1.00 0.00 S ATOM 0 H CYS A 23 -0.827 -1.811 3.632 1.00 0.00 H new ATOM 0 HA CYS A 23 0.090 -0.561 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.849 0.236 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.860 0.519 3.885 1.00 0.00 H new ATOM 317 N SER A 24 2.481 -0.235 1.773 1.00 0.00 N ATOM 318 CA SER A 24 3.872 0.085 2.025 1.00 0.00 C ATOM 319 C SER A 24 4.190 1.490 1.540 1.00 0.00 C ATOM 320 O SER A 24 3.725 1.901 0.483 1.00 0.00 O ATOM 321 CB SER A 24 4.776 -0.936 1.334 1.00 0.00 C ATOM 322 OG SER A 24 4.540 -0.964 -0.061 1.00 0.00 O ATOM 0 H SER A 24 2.286 -0.541 0.820 1.00 0.00 H new ATOM 0 HA SER A 24 4.053 0.044 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.820 -0.689 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.601 -1.926 1.756 1.00 0.00 H new ATOM 0 HG SER A 24 3.685 -0.527 -0.257 1.00 0.00 H new ATOM 328 N CYS A 25 4.975 2.221 2.308 1.00 0.00 N ATOM 329 CA CYS A 25 5.340 3.578 1.939 1.00 0.00 C ATOM 330 C CYS A 25 6.803 3.823 2.286 1.00 0.00 C ATOM 331 O CYS A 25 7.130 4.654 3.131 1.00 0.00 O ATOM 332 CB CYS A 25 4.438 4.588 2.651 1.00 0.00 C ATOM 333 SG CYS A 25 4.292 6.187 1.787 1.00 0.00 S ATOM 0 H CYS A 25 5.373 1.900 3.191 1.00 0.00 H new ATOM 0 HA CYS A 25 5.204 3.706 0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.444 4.156 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.826 4.763 3.654 1.00 0.00 H new ATOM 338 N ILE A 26 7.678 3.070 1.633 1.00 0.00 N ATOM 339 CA ILE A 26 9.110 3.182 1.860 1.00 0.00 C ATOM 340 C ILE A 26 9.720 4.296 1.011 1.00 0.00 C ATOM 341 O ILE A 26 9.009 5.134 0.464 1.00 0.00 O ATOM 342 CB ILE A 26 9.853 1.841 1.600 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.515 1.260 0.214 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.528 0.836 2.699 1.00 0.00 C ATOM 345 CD1 ILE A 26 8.228 0.455 0.163 1.00 0.00 C ATOM 0 H ILE A 26 7.417 2.371 0.938 1.00 0.00 H new ATOM 0 HA ILE A 26 9.239 3.434 2.913 1.00 0.00 H new ATOM 0 HB ILE A 26 10.924 2.046 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.444 2.079 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.339 0.624 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.055 -0.098 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.843 1.236 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.454 0.650 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.070 0.085 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.299 -0.388 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.390 1.090 0.452 1.00 0.00 H new ATOM 357 N PHE A 27 11.039 4.313 0.936 1.00 0.00 N ATOM 358 CA PHE A 27 11.763 5.336 0.188 1.00 0.00 C ATOM 359 C PHE A 27 11.578 5.208 -1.323 1.00 0.00 C ATOM 360 O PHE A 27 11.133 6.143 -1.983 1.00 0.00 O ATOM 361 CB PHE A 27 13.256 5.261 0.509 1.00 0.00 C ATOM 362 CG PHE A 27 13.626 5.755 1.883 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.041 5.217 3.020 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.568 6.762 2.036 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.386 5.672 4.278 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.917 7.220 3.291 1.00 0.00 C ATOM 367 CZ PHE A 27 14.325 6.674 4.413 1.00 0.00 C ATOM 0 H PHE A 27 11.640 3.624 1.388 1.00 0.00 H new ATOM 0 HA PHE A 27 11.349 6.296 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.585 4.227 0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.804 5.843 -0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.306 4.432 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 27 15.034 7.193 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.922 5.244 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.652 8.004 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.597 7.031 5.395 1.00 0.00 H new ATOM 377 N PHE A 28 11.966 4.061 -1.869 1.00 0.00 N ATOM 378 CA PHE A 28 11.883 3.834 -3.310 1.00 0.00 C ATOM 379 C PHE A 28 10.437 3.670 -3.773 1.00 0.00 C ATOM 380 O PHE A 28 10.074 4.102 -4.865 1.00 0.00 O ATOM 381 CB PHE A 28 12.709 2.604 -3.701 1.00 0.00 C ATOM 382 CG PHE A 28 12.942 2.478 -5.182 1.00 0.00 C ATOM 383 CD1 PHE A 28 13.285 3.588 -5.941 1.00 0.00 C ATOM 384 CD2 PHE A 28 12.824 1.252 -5.814 1.00 0.00 C ATOM 385 CE1 PHE A 28 13.501 3.476 -7.301 1.00 0.00 C ATOM 386 CE2 PHE A 28 13.040 1.134 -7.174 1.00 0.00 C ATOM 387 CZ PHE A 28 13.379 2.247 -7.918 1.00 0.00 C ATOM 0 H PHE A 28 12.341 3.275 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 28 12.292 4.713 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.672 2.648 -3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.201 1.708 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.384 4.551 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.560 0.378 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.765 4.348 -7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.944 0.172 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.548 2.156 -8.981 1.00 0.00 H new ATOM 397 N TYR A 29 9.616 3.051 -2.942 1.00 0.00 N ATOM 398 CA TYR A 29 8.214 2.850 -3.289 1.00 0.00 C ATOM 399 C TYR A 29 7.315 3.730 -2.437 1.00 0.00 C ATOM 400 O TYR A 29 7.338 3.645 -1.211 1.00 0.00 O ATOM 401 CB TYR A 29 7.786 1.392 -3.115 1.00 0.00 C ATOM 402 CG TYR A 29 8.306 0.440 -4.170 1.00 0.00 C ATOM 403 CD1 TYR A 29 9.663 0.179 -4.307 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.425 -0.211 -5.023 1.00 0.00 C ATOM 405 CE1 TYR A 29 10.126 -0.701 -5.266 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.879 -1.093 -5.982 1.00 0.00 C ATOM 407 CZ TYR A 29 9.230 -1.334 -6.100 1.00 0.00 C ATOM 408 OH TYR A 29 9.683 -2.213 -7.055 1.00 0.00 O ATOM 0 H TYR A 29 9.889 2.681 -2.031 1.00 0.00 H new ATOM 0 HA TYR A 29 8.110 3.122 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.122 1.045 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.697 1.347 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.368 0.672 -3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.365 -0.024 -4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.185 -0.892 -5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.179 -1.592 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 29 8.922 -2.572 -7.557 1.00 0.00 H new ATOM 418 N PRO A 30 6.490 4.562 -3.082 1.00 0.00 N ATOM 419 CA PRO A 30 5.558 5.447 -2.387 1.00 0.00 C ATOM 420 C PRO A 30 4.409 4.664 -1.760 1.00 0.00 C ATOM 421 O PRO A 30 4.290 3.456 -1.979 1.00 0.00 O ATOM 422 CB PRO A 30 5.048 6.372 -3.493 1.00 0.00 C ATOM 423 CG PRO A 30 5.207 5.592 -4.751 1.00 0.00 C ATOM 424 CD PRO A 30 6.389 4.683 -4.545 1.00 0.00 C ATOM 0 HA PRO A 30 6.027 5.985 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.006 6.647 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.621 7.299 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.307 5.015 -4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.371 6.255 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.234 3.713 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.297 5.105 -4.975 1.00 0.00 H new ATOM 432 N CYS A 31 3.579 5.352 -0.978 1.00 0.00 N ATOM 433 CA CYS A 31 2.442 4.724 -0.305 1.00 0.00 C ATOM 434 C CYS A 31 1.589 3.925 -1.292 1.00 0.00 C ATOM 435 O CYS A 31 0.814 4.492 -2.065 1.00 0.00 O ATOM 436 CB CYS A 31 1.571 5.784 0.382 1.00 0.00 C ATOM 437 SG CYS A 31 2.303 6.592 1.855 1.00 0.00 S ATOM 0 H CYS A 31 3.673 6.351 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 31 2.840 4.041 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.329 6.556 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.631 5.318 0.677 1.00 0.00 H new ATOM 442 N SER A 32 1.742 2.609 -1.257 1.00 0.00 N ATOM 443 CA SER A 32 1.004 1.722 -2.136 1.00 0.00 C ATOM 444 C SER A 32 0.989 0.299 -1.577 1.00 0.00 C ATOM 445 O SER A 32 2.008 -0.200 -1.091 1.00 0.00 O ATOM 446 CB SER A 32 1.617 1.742 -3.540 1.00 0.00 C ATOM 447 OG SER A 32 3.030 1.592 -3.489 1.00 0.00 O ATOM 0 H SER A 32 2.379 2.130 -0.620 1.00 0.00 H new ATOM 0 HA SER A 32 -0.026 2.073 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.185 0.940 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.366 2.680 -4.035 1.00 0.00 H new ATOM 0 HG SER A 32 3.425 2.367 -3.038 1.00 0.00 H new ATOM 453 N CYS A 33 -0.171 -0.341 -1.644 1.00 0.00 N ATOM 454 CA CYS A 33 -0.337 -1.695 -1.158 1.00 0.00 C ATOM 455 C CYS A 33 0.465 -2.649 -2.019 1.00 0.00 C ATOM 456 O CYS A 33 0.329 -2.648 -3.249 1.00 0.00 O ATOM 457 CB CYS A 33 -1.810 -2.113 -1.190 1.00 0.00 C ATOM 458 SG CYS A 33 -2.972 -0.821 -0.633 1.00 0.00 S ATOM 0 H CYS A 33 -1.019 0.067 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 33 0.017 -1.731 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.070 -2.405 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.939 -2.995 -0.563 1.00 0.00 H new ATOM 463 N ARG A 34 1.285 -3.450 -1.357 1.00 0.00 N ATOM 464 CA ARG A 34 2.134 -4.443 -1.997 1.00 0.00 C ATOM 465 C ARG A 34 2.004 -5.736 -1.208 1.00 0.00 C ATOM 466 O ARG A 34 1.544 -5.703 -0.065 1.00 0.00 O ATOM 467 CB ARG A 34 3.604 -3.989 -1.997 1.00 0.00 C ATOM 468 CG ARG A 34 3.821 -2.570 -2.494 1.00 0.00 C ATOM 469 CD ARG A 34 3.721 -2.463 -4.004 1.00 0.00 C ATOM 470 NE ARG A 34 3.742 -1.067 -4.439 1.00 0.00 N ATOM 471 CZ ARG A 34 3.943 -0.671 -5.694 1.00 0.00 C ATOM 472 NH1 ARG A 34 4.218 -1.558 -6.645 1.00 0.00 N ATOM 473 NH2 ARG A 34 3.885 0.622 -5.987 1.00 0.00 N ATOM 0 H ARG A 34 1.381 -3.428 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 34 1.825 -4.580 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.997 -4.070 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.183 -4.672 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.083 -1.911 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.802 -2.222 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.549 -3.002 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.801 -2.939 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 34 3.592 -0.347 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.276 -2.550 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.371 -1.247 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.688 1.303 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.038 0.935 -6.946 1.00 0.00 H new ATOM 487 N PRO A 35 2.390 -6.884 -1.786 1.00 0.00 N ATOM 488 CA PRO A 35 2.305 -8.172 -1.093 1.00 0.00 C ATOM 489 C PRO A 35 2.954 -8.111 0.286 1.00 0.00 C ATOM 490 O PRO A 35 3.916 -7.372 0.495 1.00 0.00 O ATOM 491 CB PRO A 35 3.080 -9.129 -1.997 1.00 0.00 C ATOM 492 CG PRO A 35 3.053 -8.507 -3.351 1.00 0.00 C ATOM 493 CD PRO A 35 2.934 -7.020 -3.149 1.00 0.00 C ATOM 0 HA PRO A 35 1.272 -8.477 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.103 -9.259 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.619 -10.117 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.960 -8.750 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.213 -8.886 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.901 -6.526 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.273 -6.569 -3.889 1.00 0.00 H new ATOM 501 N LYS A 36 2.430 -8.877 1.229 1.00 0.00 N ATOM 502 CA LYS A 36 2.981 -8.876 2.571 1.00 0.00 C ATOM 503 C LYS A 36 4.260 -9.696 2.588 1.00 0.00 C ATOM 504 O LYS A 36 4.235 -10.904 2.358 1.00 0.00 O ATOM 505 CB LYS A 36 1.975 -9.455 3.564 1.00 0.00 C ATOM 506 CG LYS A 36 2.449 -9.415 5.010 1.00 0.00 C ATOM 507 CD LYS A 36 1.552 -10.243 5.916 1.00 0.00 C ATOM 508 CE LYS A 36 1.598 -11.719 5.546 1.00 0.00 C ATOM 509 NZ LYS A 36 0.761 -12.547 6.455 1.00 0.00 N ATOM 0 H LYS A 36 1.634 -9.500 1.092 1.00 0.00 H new ATOM 0 HA LYS A 36 3.200 -7.850 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.039 -8.903 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.761 -10.488 3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.471 -9.789 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.467 -8.383 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.864 -10.117 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.527 -9.880 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.254 -11.846 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.629 -12.070 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.820 -13.545 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.105 -12.446 7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.228 -12.230 6.402 1.00 0.00 H new ATOM 523 N GLY A 37 5.373 -9.021 2.830 1.00 0.00 N ATOM 524 CA GLY A 37 6.660 -9.685 2.830 1.00 0.00 C ATOM 525 C GLY A 37 7.258 -9.691 1.441 1.00 0.00 C ATOM 526 O GLY A 37 7.723 -10.722 0.957 1.00 0.00 O ATOM 0 H GLY A 37 5.408 -8.021 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.336 -9.180 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.547 -10.709 3.187 1.00 0.00 H new ATOM 530 N TRP A 38 7.216 -8.526 0.803 1.00 0.00 N ATOM 531 CA TRP A 38 7.733 -8.353 -0.545 1.00 0.00 C ATOM 532 C TRP A 38 9.260 -8.288 -0.530 1.00 0.00 C ATOM 533 O TRP A 38 9.830 -8.058 0.561 1.00 0.00 O ATOM 534 CB TRP A 38 7.143 -7.075 -1.165 1.00 0.00 C ATOM 535 CG TRP A 38 7.678 -5.802 -0.567 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.741 -5.077 -1.021 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.196 -5.117 0.600 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.948 -3.983 -0.216 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.017 -3.987 0.786 1.00 0.00 C ATOM 540 CE3 TRP A 38 6.154 -5.345 1.504 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.826 -3.092 1.837 1.00 0.00 C ATOM 542 CZ3 TRP A 38 5.967 -4.457 2.546 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.799 -3.344 2.705 1.00 0.00 C ATOM 544 OXT TRP A 38 9.871 -8.455 -1.607 1.00 0.00 O ATOM 0 H TRP A 38 6.822 -7.677 1.208 1.00 0.00 H new ATOM 0 HA TRP A 38 7.438 -9.210 -1.151 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.347 -7.075 -2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 38 6.060 -7.093 -1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.334 -5.327 -1.888 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.677 -3.282 -0.345 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.506 -6.201 1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.466 -2.231 1.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.165 -4.625 3.249 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.627 -2.669 3.531 1.00 0.00 H new TER 555 TRP A 38