USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 137:sc= -0.5! (180deg=-1.93) USER MOD Single : A 10 SER OG : rot -130:sc= -0.358 USER MOD Single : A 13 SER OG : rot -14:sc= 0.921 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0372) USER MOD Single : A 21 TYR OH : rot 175:sc= 0.298 USER MOD Single : A 24 SER OG : rot -49:sc= 1.14 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -140:sc= 0.945 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.14 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.559 -4.585 0.365 1.00 0.00 N ATOM 2 CA LYS A 1 -12.834 -3.471 -0.287 1.00 0.00 C ATOM 3 C LYS A 1 -11.430 -3.362 0.287 1.00 0.00 C ATOM 4 O LYS A 1 -11.267 -3.225 1.496 1.00 0.00 O ATOM 5 CB LYS A 1 -13.608 -2.170 -0.030 1.00 0.00 C ATOM 6 CG LYS A 1 -12.976 -0.938 -0.662 1.00 0.00 C ATOM 7 CD LYS A 1 -13.308 -0.825 -2.142 1.00 0.00 C ATOM 8 CE LYS A 1 -12.564 0.330 -2.799 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.724 1.606 -2.047 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.518 -4.654 -0.032 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.050 -5.476 0.197 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.619 -4.408 1.388 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.757 -3.652 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.623 -2.282 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.688 -2.013 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.324 -0.045 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.894 -0.979 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.050 -1.757 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.382 -0.683 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.505 0.083 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.930 0.463 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.807 2.095 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.412 2.213 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.064 1.402 -1.086 1.00 0.00 H new ATOM 25 N CYS A 2 -10.428 -3.429 -0.573 1.00 0.00 N ATOM 26 CA CYS A 2 -9.045 -3.334 -0.138 1.00 0.00 C ATOM 27 C CYS A 2 -8.144 -2.987 -1.313 1.00 0.00 C ATOM 28 O CYS A 2 -8.517 -3.180 -2.471 1.00 0.00 O ATOM 29 CB CYS A 2 -8.588 -4.631 0.545 1.00 0.00 C ATOM 30 SG CYS A 2 -8.746 -6.134 -0.470 1.00 0.00 S ATOM 0 H CYS A 2 -10.547 -3.549 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.972 -2.534 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.545 -4.519 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.167 -4.766 1.459 1.00 0.00 H new ATOM 35 N LEU A 3 -6.979 -2.455 -0.998 1.00 0.00 N ATOM 36 CA LEU A 3 -6.008 -2.053 -2.000 1.00 0.00 C ATOM 37 C LEU A 3 -5.234 -3.256 -2.514 1.00 0.00 C ATOM 38 O LEU A 3 -4.779 -4.087 -1.733 1.00 0.00 O ATOM 39 CB LEU A 3 -5.058 -1.036 -1.389 1.00 0.00 C ATOM 40 CG LEU A 3 -5.741 0.214 -0.847 1.00 0.00 C ATOM 41 CD1 LEU A 3 -4.764 1.052 -0.054 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.344 1.027 -1.983 1.00 0.00 C ATOM 0 H LEU A 3 -6.677 -2.289 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.530 -1.605 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.505 -1.513 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.328 -0.739 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.546 -0.096 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.270 1.940 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.380 0.469 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.937 1.352 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.828 1.916 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.556 1.326 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.081 0.422 -2.512 1.00 0.00 H new ATOM 54 N ALA A 4 -5.093 -3.351 -3.824 1.00 0.00 N ATOM 55 CA ALA A 4 -4.389 -4.470 -4.429 1.00 0.00 C ATOM 56 C ALA A 4 -2.871 -4.307 -4.341 1.00 0.00 C ATOM 57 O ALA A 4 -2.356 -3.490 -3.574 1.00 0.00 O ATOM 58 CB ALA A 4 -4.823 -4.634 -5.878 1.00 0.00 C ATOM 0 H ALA A 4 -5.456 -2.668 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.650 -5.368 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.291 -5.474 -6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.896 -4.822 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.593 -3.724 -6.432 1.00 0.00 H new ATOM 64 N GLU A 5 -2.169 -5.103 -5.133 1.00 0.00 N ATOM 65 CA GLU A 5 -0.720 -5.085 -5.170 1.00 0.00 C ATOM 66 C GLU A 5 -0.204 -3.815 -5.821 1.00 0.00 C ATOM 67 O GLU A 5 -0.689 -3.406 -6.877 1.00 0.00 O ATOM 68 CB GLU A 5 -0.222 -6.317 -5.917 1.00 0.00 C ATOM 69 CG GLU A 5 1.285 -6.379 -6.090 1.00 0.00 C ATOM 70 CD GLU A 5 1.767 -7.781 -6.404 1.00 0.00 C ATOM 71 OE1 GLU A 5 0.950 -8.725 -6.313 1.00 0.00 O ATOM 72 OE2 GLU A 5 2.964 -7.937 -6.712 1.00 0.00 O ATOM 0 H GLU A 5 -2.592 -5.780 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.339 -5.104 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.551 -7.208 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.690 -6.344 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.585 -5.705 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.769 -6.026 -5.179 1.00 0.00 H new ATOM 79 N ALA A 6 0.770 -3.199 -5.159 1.00 0.00 N ATOM 80 CA ALA A 6 1.381 -1.957 -5.625 1.00 0.00 C ATOM 81 C ALA A 6 0.329 -0.868 -5.743 1.00 0.00 C ATOM 82 O ALA A 6 0.222 -0.201 -6.770 1.00 0.00 O ATOM 83 CB ALA A 6 2.108 -2.167 -6.947 1.00 0.00 C ATOM 0 H ALA A 6 1.159 -3.547 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 6 2.123 -1.640 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.553 -1.226 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.891 -2.914 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.400 -2.512 -7.701 1.00 0.00 H new ATOM 89 N ALA A 7 -0.464 -0.707 -4.692 1.00 0.00 N ATOM 90 CA ALA A 7 -1.530 0.296 -4.709 1.00 0.00 C ATOM 91 C ALA A 7 -1.386 1.291 -3.568 1.00 0.00 C ATOM 92 O ALA A 7 -1.215 0.897 -2.421 1.00 0.00 O ATOM 93 CB ALA A 7 -2.890 -0.382 -4.649 1.00 0.00 C ATOM 0 H ALA A 7 -0.395 -1.246 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.447 0.852 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.675 0.375 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.006 -1.041 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.965 -0.966 -3.732 1.00 0.00 H new ATOM 99 N ASP A 8 -1.446 2.574 -3.900 1.00 0.00 N ATOM 100 CA ASP A 8 -1.310 3.648 -2.916 1.00 0.00 C ATOM 101 C ASP A 8 -2.310 3.500 -1.773 1.00 0.00 C ATOM 102 O ASP A 8 -3.516 3.381 -1.991 1.00 0.00 O ATOM 103 CB ASP A 8 -1.496 5.012 -3.589 1.00 0.00 C ATOM 104 CG ASP A 8 -0.539 5.228 -4.746 1.00 0.00 C ATOM 105 OD1 ASP A 8 -0.641 4.486 -5.747 1.00 0.00 O ATOM 106 OD2 ASP A 8 0.314 6.133 -4.652 1.00 0.00 O ATOM 0 H ASP A 8 -1.590 2.902 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.306 3.580 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.521 5.098 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.351 5.800 -2.850 1.00 0.00 H new ATOM 111 N CYS A 9 -1.793 3.516 -0.552 1.00 0.00 N ATOM 112 CA CYS A 9 -2.611 3.392 0.644 1.00 0.00 C ATOM 113 C CYS A 9 -2.806 4.738 1.322 1.00 0.00 C ATOM 114 O CYS A 9 -1.933 5.606 1.277 1.00 0.00 O ATOM 115 CB CYS A 9 -1.985 2.395 1.623 1.00 0.00 C ATOM 116 SG CYS A 9 -0.212 2.082 1.337 1.00 0.00 S ATOM 0 H CYS A 9 -0.795 3.615 -0.364 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.589 3.021 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.118 2.768 2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.525 1.450 1.557 1.00 0.00 H new ATOM 121 N SER A 10 -3.957 4.902 1.957 1.00 0.00 N ATOM 122 CA SER A 10 -4.272 6.134 2.655 1.00 0.00 C ATOM 123 C SER A 10 -3.572 6.158 4.015 1.00 0.00 C ATOM 124 O SER A 10 -3.692 5.217 4.797 1.00 0.00 O ATOM 125 CB SER A 10 -5.782 6.250 2.826 1.00 0.00 C ATOM 126 OG SER A 10 -6.445 6.022 1.594 1.00 0.00 O ATOM 0 H SER A 10 -4.689 4.193 2.002 1.00 0.00 H new ATOM 0 HA SER A 10 -3.917 6.984 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.125 5.529 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.035 7.241 3.203 1.00 0.00 H new ATOM 0 HG SER A 10 -7.087 6.744 1.429 1.00 0.00 H new ATOM 132 N PRO A 11 -2.808 7.225 4.290 1.00 0.00 N ATOM 133 CA PRO A 11 -2.050 7.366 5.543 1.00 0.00 C ATOM 134 C PRO A 11 -2.928 7.509 6.790 1.00 0.00 C ATOM 135 O PRO A 11 -2.799 6.736 7.735 1.00 0.00 O ATOM 136 CB PRO A 11 -1.229 8.642 5.319 1.00 0.00 C ATOM 137 CG PRO A 11 -1.977 9.397 4.275 1.00 0.00 C ATOM 138 CD PRO A 11 -2.592 8.363 3.382 1.00 0.00 C ATOM 0 HA PRO A 11 -1.455 6.474 5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.139 9.221 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.217 8.408 4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.742 10.030 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.310 10.052 3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.527 8.713 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.932 8.100 2.555 1.00 0.00 H new ATOM 146 N TRP A 12 -3.802 8.512 6.804 1.00 0.00 N ATOM 147 CA TRP A 12 -4.665 8.743 7.958 1.00 0.00 C ATOM 148 C TRP A 12 -5.867 7.806 7.971 1.00 0.00 C ATOM 149 O TRP A 12 -6.114 7.120 8.962 1.00 0.00 O ATOM 150 CB TRP A 12 -5.140 10.199 8.006 1.00 0.00 C ATOM 151 CG TRP A 12 -4.087 11.159 8.475 1.00 0.00 C ATOM 152 CD1 TRP A 12 -3.835 11.525 9.767 1.00 0.00 C ATOM 153 CD2 TRP A 12 -3.164 11.897 7.664 1.00 0.00 C ATOM 154 NE1 TRP A 12 -2.801 12.428 9.809 1.00 0.00 N ATOM 155 CE2 TRP A 12 -2.373 12.675 8.532 1.00 0.00 C ATOM 156 CE3 TRP A 12 -2.922 11.971 6.290 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -1.362 13.513 8.071 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -1.919 12.805 5.833 1.00 0.00 C ATOM 159 CH2 TRP A 12 -1.149 13.566 6.722 1.00 0.00 C ATOM 0 H TRP A 12 -3.931 9.172 6.037 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.066 8.534 8.844 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.474 10.496 7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.004 10.269 8.667 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.371 11.158 10.630 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.414 12.847 10.655 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.509 11.386 5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.767 14.100 8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.726 12.871 4.773 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.372 14.207 6.334 1.00 0.00 H new ATOM 170 N SER A 13 -6.622 7.788 6.881 1.00 0.00 N ATOM 171 CA SER A 13 -7.808 6.941 6.788 1.00 0.00 C ATOM 172 C SER A 13 -8.195 6.706 5.335 1.00 0.00 C ATOM 173 O SER A 13 -8.129 7.621 4.513 1.00 0.00 O ATOM 174 CB SER A 13 -8.988 7.582 7.531 1.00 0.00 C ATOM 175 OG SER A 13 -8.706 7.752 8.910 1.00 0.00 O ATOM 0 H SER A 13 -6.437 8.348 6.049 1.00 0.00 H new ATOM 0 HA SER A 13 -7.568 5.983 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.218 8.549 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.874 6.958 7.414 1.00 0.00 H new ATOM 0 HG SER A 13 -7.909 7.233 9.147 1.00 0.00 H new ATOM 181 N GLY A 14 -8.593 5.479 5.029 1.00 0.00 N ATOM 182 CA GLY A 14 -8.992 5.129 3.681 1.00 0.00 C ATOM 183 C GLY A 14 -9.084 3.631 3.503 1.00 0.00 C ATOM 184 O GLY A 14 -9.325 2.906 4.470 1.00 0.00 O ATOM 0 H GLY A 14 -8.647 4.712 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.957 5.583 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.274 5.538 2.970 1.00 0.00 H new ATOM 188 N ASP A 15 -8.874 3.164 2.280 1.00 0.00 N ATOM 189 CA ASP A 15 -8.920 1.735 1.990 1.00 0.00 C ATOM 190 C ASP A 15 -7.723 1.031 2.604 1.00 0.00 C ATOM 191 O ASP A 15 -6.609 1.558 2.612 1.00 0.00 O ATOM 192 CB ASP A 15 -8.922 1.463 0.483 1.00 0.00 C ATOM 193 CG ASP A 15 -10.235 1.791 -0.203 1.00 0.00 C ATOM 194 OD1 ASP A 15 -11.278 1.875 0.473 1.00 0.00 O ATOM 195 OD2 ASP A 15 -10.238 1.914 -1.445 1.00 0.00 O ATOM 0 H ASP A 15 -8.670 3.752 1.472 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.845 1.353 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.126 2.045 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.688 0.412 0.314 1.00 0.00 H new ATOM 200 N SER A 16 -7.954 -0.168 3.096 1.00 0.00 N ATOM 201 CA SER A 16 -6.897 -0.964 3.689 1.00 0.00 C ATOM 202 C SER A 16 -6.315 -1.897 2.637 1.00 0.00 C ATOM 203 O SER A 16 -7.023 -2.325 1.732 1.00 0.00 O ATOM 204 CB SER A 16 -7.436 -1.769 4.866 1.00 0.00 C ATOM 205 OG SER A 16 -8.207 -0.949 5.727 1.00 0.00 O ATOM 0 H SER A 16 -8.870 -0.616 3.097 1.00 0.00 H new ATOM 0 HA SER A 16 -6.113 -0.301 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.047 -2.594 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.607 -2.209 5.421 1.00 0.00 H new ATOM 0 HG SER A 16 -8.545 -1.486 6.474 1.00 0.00 H new ATOM 211 N CYS A 17 -5.037 -2.202 2.745 1.00 0.00 N ATOM 212 CA CYS A 17 -4.380 -3.084 1.786 1.00 0.00 C ATOM 213 C CYS A 17 -4.914 -4.509 1.900 1.00 0.00 C ATOM 214 O CYS A 17 -5.119 -5.012 3.011 1.00 0.00 O ATOM 215 CB CYS A 17 -2.869 -3.113 2.031 1.00 0.00 C ATOM 216 SG CYS A 17 -2.082 -1.474 2.136 1.00 0.00 S ATOM 0 H CYS A 17 -4.428 -1.855 3.486 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.589 -2.695 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.675 -3.654 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.395 -3.677 1.228 1.00 0.00 H new ATOM 221 N CYS A 18 -5.102 -5.168 0.760 1.00 0.00 N ATOM 222 CA CYS A 18 -5.558 -6.549 0.749 1.00 0.00 C ATOM 223 C CYS A 18 -4.479 -7.397 1.382 1.00 0.00 C ATOM 224 O CYS A 18 -3.297 -7.168 1.153 1.00 0.00 O ATOM 225 CB CYS A 18 -5.827 -7.050 -0.678 1.00 0.00 C ATOM 226 SG CYS A 18 -7.074 -6.105 -1.622 1.00 0.00 S ATOM 0 H CYS A 18 -4.945 -4.767 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.495 -6.617 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.889 -7.035 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.149 -8.090 -0.625 1.00 0.00 H new ATOM 231 N LYS A 19 -4.866 -8.350 2.193 1.00 0.00 N ATOM 232 CA LYS A 19 -3.890 -9.187 2.852 1.00 0.00 C ATOM 233 C LYS A 19 -3.381 -10.262 1.900 1.00 0.00 C ATOM 234 O LYS A 19 -4.096 -10.694 0.999 1.00 0.00 O ATOM 235 CB LYS A 19 -4.485 -9.807 4.113 1.00 0.00 C ATOM 236 CG LYS A 19 -5.200 -8.800 5.004 1.00 0.00 C ATOM 237 CD LYS A 19 -4.256 -7.701 5.471 1.00 0.00 C ATOM 238 CE LYS A 19 -4.996 -6.599 6.216 1.00 0.00 C ATOM 239 NZ LYS A 19 -5.662 -7.104 7.447 1.00 0.00 N ATOM 0 H LYS A 19 -5.839 -8.566 2.412 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.042 -8.569 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.187 -10.590 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.689 -10.285 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.034 -8.358 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.621 -9.312 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.492 -8.129 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.740 -7.275 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.295 -5.808 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.742 -6.155 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.082 -6.307 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.409 -7.779 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.961 -7.580 8.050 1.00 0.00 H new ATOM 253 N PRO A 20 -2.123 -10.684 2.075 1.00 0.00 N ATOM 254 CA PRO A 20 -1.261 -10.186 3.131 1.00 0.00 C ATOM 255 C PRO A 20 -0.320 -9.058 2.683 1.00 0.00 C ATOM 256 O PRO A 20 0.828 -8.996 3.124 1.00 0.00 O ATOM 257 CB PRO A 20 -0.463 -11.438 3.486 1.00 0.00 C ATOM 258 CG PRO A 20 -0.341 -12.199 2.198 1.00 0.00 C ATOM 259 CD PRO A 20 -1.440 -11.709 1.277 1.00 0.00 C ATOM 0 HA PRO A 20 -1.825 -9.740 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.517 -11.181 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.973 -12.029 4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.638 -12.037 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.437 -13.270 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.035 -11.295 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.117 -12.515 0.995 1.00 0.00 H new ATOM 267 N TYR A 21 -0.799 -8.165 1.819 1.00 0.00 N ATOM 268 CA TYR A 21 0.029 -7.054 1.351 1.00 0.00 C ATOM 269 C TYR A 21 0.169 -6.006 2.443 1.00 0.00 C ATOM 270 O TYR A 21 -0.742 -5.799 3.248 1.00 0.00 O ATOM 271 CB TYR A 21 -0.527 -6.413 0.071 1.00 0.00 C ATOM 272 CG TYR A 21 -0.672 -7.376 -1.090 1.00 0.00 C ATOM 273 CD1 TYR A 21 -1.598 -8.415 -1.072 1.00 0.00 C ATOM 274 CD2 TYR A 21 0.127 -7.240 -2.211 1.00 0.00 C ATOM 275 CE1 TYR A 21 -1.715 -9.286 -2.139 1.00 0.00 C ATOM 276 CE2 TYR A 21 0.017 -8.106 -3.277 1.00 0.00 C ATOM 277 CZ TYR A 21 -0.902 -9.126 -3.240 1.00 0.00 C ATOM 278 OH TYR A 21 -1.004 -9.985 -4.308 1.00 0.00 O ATOM 0 H TYR A 21 -1.743 -8.187 1.433 1.00 0.00 H new ATOM 0 HA TYR A 21 1.011 -7.462 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.501 -5.975 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.130 -5.596 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.236 -8.543 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.851 -6.440 -2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.439 -10.087 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.653 -7.983 -4.141 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.415 -9.681 -5.030 1.00 0.00 H new ATOM 288 N LEU A 22 1.323 -5.366 2.476 1.00 0.00 N ATOM 289 CA LEU A 22 1.610 -4.358 3.479 1.00 0.00 C ATOM 290 C LEU A 22 1.879 -2.999 2.842 1.00 0.00 C ATOM 291 O LEU A 22 2.558 -2.900 1.819 1.00 0.00 O ATOM 292 CB LEU A 22 2.818 -4.799 4.312 1.00 0.00 C ATOM 293 CG LEU A 22 3.263 -3.819 5.401 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.187 -3.676 6.468 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.574 -4.276 6.021 1.00 0.00 C ATOM 0 H LEU A 22 2.082 -5.528 1.814 1.00 0.00 H new ATOM 0 HA LEU A 22 0.737 -4.254 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.584 -5.754 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.658 -4.972 3.639 1.00 0.00 H new ATOM 0 HG LEU A 22 3.419 -2.843 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.523 -2.975 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.270 -3.303 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.996 -4.647 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.877 -3.569 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.442 -5.263 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.344 -4.324 5.251 1.00 0.00 H new ATOM 307 N CYS A 23 1.351 -1.956 3.469 1.00 0.00 N ATOM 308 CA CYS A 23 1.533 -0.590 3.000 1.00 0.00 C ATOM 309 C CYS A 23 2.963 -0.137 3.288 1.00 0.00 C ATOM 310 O CYS A 23 3.444 -0.274 4.412 1.00 0.00 O ATOM 311 CB CYS A 23 0.530 0.333 3.702 1.00 0.00 C ATOM 312 SG CYS A 23 0.611 2.078 3.191 1.00 0.00 S ATOM 0 H CYS A 23 0.786 -2.033 4.315 1.00 0.00 H new ATOM 0 HA CYS A 23 1.359 -0.546 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.477 -0.039 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.696 0.276 4.778 1.00 0.00 H new ATOM 317 N SER A 24 3.649 0.381 2.278 1.00 0.00 N ATOM 318 CA SER A 24 5.021 0.826 2.462 1.00 0.00 C ATOM 319 C SER A 24 5.139 2.342 2.332 1.00 0.00 C ATOM 320 O SER A 24 4.696 2.933 1.345 1.00 0.00 O ATOM 321 CB SER A 24 5.952 0.127 1.465 1.00 0.00 C ATOM 322 OG SER A 24 5.570 0.387 0.124 1.00 0.00 O ATOM 0 H SER A 24 3.282 0.502 1.334 1.00 0.00 H new ATOM 0 HA SER A 24 5.325 0.555 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.976 0.465 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.939 -0.948 1.646 1.00 0.00 H new ATOM 0 HG SER A 24 4.610 0.222 0.020 1.00 0.00 H new ATOM 328 N CYS A 25 5.753 2.956 3.331 1.00 0.00 N ATOM 329 CA CYS A 25 5.963 4.394 3.355 1.00 0.00 C ATOM 330 C CYS A 25 7.449 4.686 3.217 1.00 0.00 C ATOM 331 O CYS A 25 8.096 5.145 4.156 1.00 0.00 O ATOM 332 CB CYS A 25 5.419 5.002 4.651 1.00 0.00 C ATOM 333 SG CYS A 25 3.614 4.858 4.846 1.00 0.00 S ATOM 0 H CYS A 25 6.120 2.470 4.149 1.00 0.00 H new ATOM 0 HA CYS A 25 5.425 4.845 2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.904 4.517 5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.694 6.056 4.687 1.00 0.00 H new ATOM 338 N ILE A 26 7.984 4.371 2.045 1.00 0.00 N ATOM 339 CA ILE A 26 9.409 4.550 1.743 1.00 0.00 C ATOM 340 C ILE A 26 9.828 6.021 1.622 1.00 0.00 C ATOM 341 O ILE A 26 10.525 6.393 0.683 1.00 0.00 O ATOM 342 CB ILE A 26 9.793 3.811 0.445 1.00 0.00 C ATOM 343 CG1 ILE A 26 8.816 4.159 -0.685 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.830 2.310 0.690 1.00 0.00 C ATOM 345 CD1 ILE A 26 9.180 3.542 -2.020 1.00 0.00 C ATOM 0 H ILE A 26 7.445 3.983 1.271 1.00 0.00 H new ATOM 0 HA ILE A 26 9.943 4.125 2.593 1.00 0.00 H new ATOM 0 HB ILE A 26 10.787 4.135 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.816 3.828 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.774 5.243 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.102 1.797 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.567 2.085 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.847 1.970 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.443 3.833 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.166 3.892 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.193 2.456 -1.927 1.00 0.00 H new ATOM 357 N PHE A 27 9.423 6.833 2.595 1.00 0.00 N ATOM 358 CA PHE A 27 9.763 8.257 2.645 1.00 0.00 C ATOM 359 C PHE A 27 9.248 9.031 1.430 1.00 0.00 C ATOM 360 O PHE A 27 9.739 10.116 1.124 1.00 0.00 O ATOM 361 CB PHE A 27 11.280 8.446 2.784 1.00 0.00 C ATOM 362 CG PHE A 27 11.811 8.164 4.166 1.00 0.00 C ATOM 363 CD1 PHE A 27 11.552 6.957 4.799 1.00 0.00 C ATOM 364 CD2 PHE A 27 12.569 9.114 4.832 1.00 0.00 C ATOM 365 CE1 PHE A 27 12.040 6.704 6.068 1.00 0.00 C ATOM 366 CE2 PHE A 27 13.059 8.867 6.100 1.00 0.00 C ATOM 367 CZ PHE A 27 12.794 7.661 6.719 1.00 0.00 C ATOM 0 H PHE A 27 8.846 6.522 3.377 1.00 0.00 H new ATOM 0 HA PHE A 27 9.263 8.665 3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.784 7.792 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.534 9.470 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.962 6.206 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 27 12.779 10.059 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.832 5.760 6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 27 13.649 9.616 6.607 1.00 0.00 H new ATOM 0 HZ PHE A 27 13.176 7.467 7.710 1.00 0.00 H new ATOM 377 N PHE A 28 8.240 8.493 0.765 1.00 0.00 N ATOM 378 CA PHE A 28 7.647 9.155 -0.388 1.00 0.00 C ATOM 379 C PHE A 28 6.138 9.143 -0.268 1.00 0.00 C ATOM 380 O PHE A 28 5.538 8.116 0.041 1.00 0.00 O ATOM 381 CB PHE A 28 8.051 8.493 -1.709 1.00 0.00 C ATOM 382 CG PHE A 28 9.424 8.861 -2.204 1.00 0.00 C ATOM 383 CD1 PHE A 28 10.562 8.456 -1.527 1.00 0.00 C ATOM 384 CD2 PHE A 28 9.571 9.607 -3.362 1.00 0.00 C ATOM 385 CE1 PHE A 28 11.820 8.791 -1.991 1.00 0.00 C ATOM 386 CE2 PHE A 28 10.826 9.945 -3.833 1.00 0.00 C ATOM 387 CZ PHE A 28 11.952 9.536 -3.146 1.00 0.00 C ATOM 0 H PHE A 28 7.813 7.598 1.003 1.00 0.00 H new ATOM 0 HA PHE A 28 8.020 10.179 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.002 7.411 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.321 8.761 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.465 7.871 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.694 9.929 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.699 8.470 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.926 10.528 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.934 9.798 -3.511 1.00 0.00 H new ATOM 397 N TYR A 29 5.541 10.290 -0.512 1.00 0.00 N ATOM 398 CA TYR A 29 4.098 10.432 -0.447 1.00 0.00 C ATOM 399 C TYR A 29 3.486 10.184 -1.824 1.00 0.00 C ATOM 400 O TYR A 29 3.930 10.767 -2.813 1.00 0.00 O ATOM 401 CB TYR A 29 3.719 11.829 0.058 1.00 0.00 C ATOM 402 CG TYR A 29 2.275 11.949 0.498 1.00 0.00 C ATOM 403 CD1 TYR A 29 1.770 11.145 1.512 1.00 0.00 C ATOM 404 CD2 TYR A 29 1.416 12.862 -0.103 1.00 0.00 C ATOM 405 CE1 TYR A 29 0.452 11.246 1.915 1.00 0.00 C ATOM 406 CE2 TYR A 29 0.097 12.970 0.296 1.00 0.00 C ATOM 407 CZ TYR A 29 -0.380 12.160 1.305 1.00 0.00 C ATOM 408 OH TYR A 29 -1.693 12.261 1.704 1.00 0.00 O ATOM 0 H TYR A 29 6.036 11.147 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 29 3.705 9.694 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.367 12.091 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.910 12.555 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.419 10.428 1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.785 13.497 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.076 10.612 2.704 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.557 13.685 -0.180 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.143 12.953 1.175 1.00 0.00 H new ATOM 418 N PRO A 30 2.458 9.329 -1.911 1.00 0.00 N ATOM 419 CA PRO A 30 1.899 8.619 -0.779 1.00 0.00 C ATOM 420 C PRO A 30 2.493 7.222 -0.612 1.00 0.00 C ATOM 421 O PRO A 30 3.320 6.779 -1.411 1.00 0.00 O ATOM 422 CB PRO A 30 0.415 8.528 -1.151 1.00 0.00 C ATOM 423 CG PRO A 30 0.353 8.657 -2.648 1.00 0.00 C ATOM 424 CD PRO A 30 1.748 8.972 -3.140 1.00 0.00 C ATOM 0 HA PRO A 30 2.099 9.120 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.012 7.580 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.158 9.319 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.011 7.733 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.341 9.446 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.204 8.115 -3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.747 9.792 -3.858 1.00 0.00 H new ATOM 432 N CYS A 31 2.048 6.525 0.420 1.00 0.00 N ATOM 433 CA CYS A 31 2.506 5.174 0.684 1.00 0.00 C ATOM 434 C CYS A 31 1.771 4.215 -0.242 1.00 0.00 C ATOM 435 O CYS A 31 0.689 4.539 -0.718 1.00 0.00 O ATOM 436 CB CYS A 31 2.237 4.806 2.144 1.00 0.00 C ATOM 437 SG CYS A 31 2.872 6.015 3.350 1.00 0.00 S ATOM 0 H CYS A 31 1.366 6.876 1.092 1.00 0.00 H new ATOM 0 HA CYS A 31 3.579 5.107 0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.162 4.698 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.686 3.834 2.350 1.00 0.00 H new ATOM 442 N SER A 32 2.343 3.052 -0.511 1.00 0.00 N ATOM 443 CA SER A 32 1.693 2.094 -1.397 1.00 0.00 C ATOM 444 C SER A 32 1.872 0.654 -0.913 1.00 0.00 C ATOM 445 O SER A 32 2.967 0.249 -0.516 1.00 0.00 O ATOM 446 CB SER A 32 2.222 2.259 -2.825 1.00 0.00 C ATOM 447 OG SER A 32 3.564 2.722 -2.824 1.00 0.00 O ATOM 0 H SER A 32 3.242 2.750 -0.136 1.00 0.00 H new ATOM 0 HA SER A 32 0.623 2.302 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.164 1.305 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.592 2.962 -3.370 1.00 0.00 H new ATOM 0 HG SER A 32 3.683 3.381 -3.539 1.00 0.00 H new ATOM 453 N CYS A 33 0.782 -0.108 -0.950 1.00 0.00 N ATOM 454 CA CYS A 33 0.786 -1.501 -0.533 1.00 0.00 C ATOM 455 C CYS A 33 1.604 -2.322 -1.505 1.00 0.00 C ATOM 456 O CYS A 33 1.428 -2.202 -2.724 1.00 0.00 O ATOM 457 CB CYS A 33 -0.639 -2.068 -0.481 1.00 0.00 C ATOM 458 SG CYS A 33 -1.880 -0.918 0.197 1.00 0.00 S ATOM 0 H CYS A 33 -0.127 0.226 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 33 1.221 -1.552 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.940 -2.356 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.634 -2.976 0.122 1.00 0.00 H new ATOM 463 N ARG A 34 2.484 -3.147 -0.955 1.00 0.00 N ATOM 464 CA ARG A 34 3.347 -4.017 -1.735 1.00 0.00 C ATOM 465 C ARG A 34 3.116 -5.457 -1.306 1.00 0.00 C ATOM 466 O ARG A 34 2.687 -5.702 -0.174 1.00 0.00 O ATOM 467 CB ARG A 34 4.823 -3.664 -1.511 1.00 0.00 C ATOM 468 CG ARG A 34 5.150 -2.194 -1.692 1.00 0.00 C ATOM 469 CD ARG A 34 5.028 -1.767 -3.144 1.00 0.00 C ATOM 470 NE ARG A 34 5.084 -0.309 -3.292 1.00 0.00 N ATOM 471 CZ ARG A 34 6.189 0.427 -3.136 1.00 0.00 C ATOM 472 NH1 ARG A 34 7.365 -0.158 -2.921 1.00 0.00 N ATOM 473 NH2 ARG A 34 6.114 1.751 -3.205 1.00 0.00 N ATOM 0 H ARG A 34 2.619 -3.230 0.053 1.00 0.00 H new ATOM 0 HA ARG A 34 3.111 -3.888 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.107 -3.965 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.432 -4.247 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.479 -1.593 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.163 -2.000 -1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.830 -2.222 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.088 -2.138 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 34 4.220 0.177 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.428 -1.175 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.204 0.411 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.216 2.203 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.955 2.316 -3.087 1.00 0.00 H new ATOM 487 N PRO A 35 3.407 -6.428 -2.182 1.00 0.00 N ATOM 488 CA PRO A 35 3.246 -7.846 -1.861 1.00 0.00 C ATOM 489 C PRO A 35 4.119 -8.223 -0.674 1.00 0.00 C ATOM 490 O PRO A 35 5.164 -7.606 -0.451 1.00 0.00 O ATOM 491 CB PRO A 35 3.702 -8.572 -3.132 1.00 0.00 C ATOM 492 CG PRO A 35 4.510 -7.571 -3.886 1.00 0.00 C ATOM 493 CD PRO A 35 3.940 -6.227 -3.538 1.00 0.00 C ATOM 0 HA PRO A 35 2.224 -8.104 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.294 -9.454 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.849 -8.912 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.562 -7.631 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.452 -7.753 -4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.703 -5.449 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.159 -5.928 -4.237 1.00 0.00 H new ATOM 501 N LYS A 36 3.704 -9.203 0.109 1.00 0.00 N ATOM 502 CA LYS A 36 4.495 -9.570 1.257 1.00 0.00 C ATOM 503 C LYS A 36 5.677 -10.425 0.834 1.00 0.00 C ATOM 504 O LYS A 36 5.587 -11.249 -0.072 1.00 0.00 O ATOM 505 CB LYS A 36 3.672 -10.259 2.347 1.00 0.00 C ATOM 506 CG LYS A 36 4.401 -10.277 3.686 1.00 0.00 C ATOM 507 CD LYS A 36 4.930 -8.886 4.033 1.00 0.00 C ATOM 508 CE LYS A 36 6.116 -8.940 4.988 1.00 0.00 C ATOM 509 NZ LYS A 36 6.817 -7.626 5.079 1.00 0.00 N ATOM 0 H LYS A 36 2.849 -9.742 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 36 4.870 -8.647 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.718 -9.745 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.449 -11.281 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.725 -10.620 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.228 -10.986 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.226 -8.374 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.130 -8.297 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.771 -9.237 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.818 -9.704 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.553 -7.675 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.256 -7.402 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.132 -6.883 5.325 1.00 0.00 H new ATOM 523 N GLY A 37 6.786 -10.152 1.479 1.00 0.00 N ATOM 524 CA GLY A 37 8.041 -10.803 1.190 1.00 0.00 C ATOM 525 C GLY A 37 9.128 -9.774 1.320 1.00 0.00 C ATOM 526 O GLY A 37 10.235 -10.058 1.773 1.00 0.00 O ATOM 0 H GLY A 37 6.843 -9.463 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.211 -11.629 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.031 -11.224 0.185 1.00 0.00 H new ATOM 530 N TRP A 38 8.757 -8.552 0.966 1.00 0.00 N ATOM 531 CA TRP A 38 9.631 -7.404 1.074 1.00 0.00 C ATOM 532 C TRP A 38 9.446 -6.789 2.459 1.00 0.00 C ATOM 533 O TRP A 38 10.225 -5.896 2.831 1.00 0.00 O ATOM 534 CB TRP A 38 9.308 -6.366 -0.013 1.00 0.00 C ATOM 535 CG TRP A 38 9.624 -6.819 -1.411 1.00 0.00 C ATOM 536 CD1 TRP A 38 10.643 -6.369 -2.200 1.00 0.00 C ATOM 537 CD2 TRP A 38 8.906 -7.783 -2.197 1.00 0.00 C ATOM 538 NE1 TRP A 38 10.622 -7.012 -3.414 1.00 0.00 N ATOM 539 CE2 TRP A 38 9.565 -7.883 -3.437 1.00 0.00 C ATOM 540 CE3 TRP A 38 7.780 -8.578 -1.969 1.00 0.00 C ATOM 541 CZ2 TRP A 38 9.133 -8.744 -4.443 1.00 0.00 C ATOM 542 CZ3 TRP A 38 7.353 -9.431 -2.968 1.00 0.00 C ATOM 543 CH2 TRP A 38 8.027 -9.510 -4.190 1.00 0.00 C ATOM 544 OXT TRP A 38 8.493 -7.214 3.166 1.00 0.00 O ATOM 0 H TRP A 38 7.833 -8.333 0.594 1.00 0.00 H new ATOM 0 HA TRP A 38 10.665 -7.719 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.249 -6.114 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 38 9.865 -5.453 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 38 11.362 -5.616 -1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 38 11.286 -6.865 -4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.253 -8.527 -1.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.652 -8.805 -5.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.482 -10.048 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.668 -10.189 -4.950 1.00 0.00 H new TER 555 TRP A 38