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+ 141:sc= -0.033 (180deg=-0.524) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= 0.865 (180deg=-2.21!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -14:sc= 0.99 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 -109:sc= 1.24 USER MOD Single : A 24 SER OG : rot -54:sc= 1.02 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -110:sc= 0.757 USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.12 (180deg=-0.717) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.523 -4.306 -0.117 1.00 0.00 N ATOM 2 CA LYS A 1 -12.586 -3.516 -0.950 1.00 0.00 C ATOM 3 C LYS A 1 -11.245 -3.379 -0.244 1.00 0.00 C ATOM 4 O LYS A 1 -11.200 -3.181 0.968 1.00 0.00 O ATOM 5 CB LYS A 1 -13.196 -2.132 -1.221 1.00 0.00 C ATOM 6 CG LYS A 1 -13.635 -1.391 0.037 1.00 0.00 C ATOM 7 CD LYS A 1 -13.065 0.021 0.094 1.00 0.00 C ATOM 8 CE LYS A 1 -13.603 0.908 -1.024 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.976 2.257 -1.008 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.477 -3.897 -0.184 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.544 -5.289 -0.455 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.207 -4.287 0.874 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.421 -4.027 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.466 -1.522 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.056 -2.248 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.724 -1.344 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.313 -1.948 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.306 0.469 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.978 -0.025 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.417 0.432 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.683 1.008 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.643 2.954 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.734 2.516 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.112 2.245 -1.587 1.00 0.00 H new ATOM 25 N CYS A 2 -10.167 -3.497 -1.001 1.00 0.00 N ATOM 26 CA CYS A 2 -8.823 -3.390 -0.457 1.00 0.00 C ATOM 27 C CYS A 2 -7.837 -3.098 -1.575 1.00 0.00 C ATOM 28 O CYS A 2 -8.116 -3.358 -2.746 1.00 0.00 O ATOM 29 CB CYS A 2 -8.430 -4.666 0.303 1.00 0.00 C ATOM 30 SG CYS A 2 -8.581 -6.209 -0.654 1.00 0.00 S ATOM 0 H CYS A 2 -10.198 -3.669 -2.006 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.800 -2.566 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.399 -4.566 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.052 -4.746 1.194 1.00 0.00 H new ATOM 35 N LEU A 3 -6.705 -2.532 -1.204 1.00 0.00 N ATOM 36 CA LEU A 3 -5.667 -2.169 -2.155 1.00 0.00 C ATOM 37 C LEU A 3 -4.839 -3.388 -2.552 1.00 0.00 C ATOM 38 O LEU A 3 -4.470 -4.194 -1.706 1.00 0.00 O ATOM 39 CB LEU A 3 -4.790 -1.093 -1.530 1.00 0.00 C ATOM 40 CG LEU A 3 -5.543 0.184 -1.153 1.00 0.00 C ATOM 41 CD1 LEU A 3 -4.648 1.124 -0.373 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.083 0.873 -2.397 1.00 0.00 C ATOM 0 H LEU A 3 -6.477 -2.310 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.125 -1.782 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.315 -1.499 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.992 -0.839 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.385 -0.092 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.204 2.026 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.311 0.632 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.784 1.392 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.616 1.779 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.256 1.133 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.765 0.201 -2.918 1.00 0.00 H new ATOM 54 N ALA A 4 -4.569 -3.530 -3.841 1.00 0.00 N ATOM 55 CA ALA A 4 -3.812 -4.674 -4.343 1.00 0.00 C ATOM 56 C ALA A 4 -2.308 -4.524 -4.110 1.00 0.00 C ATOM 57 O ALA A 4 -1.862 -3.660 -3.348 1.00 0.00 O ATOM 58 CB ALA A 4 -4.104 -4.868 -5.824 1.00 0.00 C ATOM 0 H ALA A 4 -4.861 -2.869 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.131 -5.555 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.539 -5.722 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.170 -5.049 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.813 -3.972 -6.373 1.00 0.00 H new ATOM 64 N GLU A 5 -1.530 -5.377 -4.769 1.00 0.00 N ATOM 65 CA GLU A 5 -0.083 -5.354 -4.643 1.00 0.00 C ATOM 66 C GLU A 5 0.511 -4.167 -5.384 1.00 0.00 C ATOM 67 O GLU A 5 0.155 -3.886 -6.528 1.00 0.00 O ATOM 68 CB GLU A 5 0.548 -6.664 -5.143 1.00 0.00 C ATOM 69 CG GLU A 5 0.010 -7.154 -6.480 1.00 0.00 C ATOM 70 CD GLU A 5 -1.308 -7.885 -6.338 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.313 -8.990 -5.761 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.340 -7.336 -6.768 1.00 0.00 O ATOM 0 H GLU A 5 -1.884 -6.096 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 5 0.147 -5.251 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.626 -6.524 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.386 -7.439 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.119 -6.304 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.742 -7.816 -6.943 1.00 0.00 H new ATOM 79 N ALA A 6 1.400 -3.468 -4.692 1.00 0.00 N ATOM 80 CA ALA A 6 2.067 -2.281 -5.219 1.00 0.00 C ATOM 81 C ALA A 6 1.052 -1.195 -5.535 1.00 0.00 C ATOM 82 O ALA A 6 1.177 -0.476 -6.526 1.00 0.00 O ATOM 83 CB ALA A 6 2.905 -2.624 -6.447 1.00 0.00 C ATOM 0 H ALA A 6 1.682 -3.709 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 6 2.743 -1.901 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.391 -1.722 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.663 -3.359 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.261 -3.036 -7.224 1.00 0.00 H new ATOM 89 N ALA A 7 0.048 -1.081 -4.678 1.00 0.00 N ATOM 90 CA ALA A 7 -1.001 -0.079 -4.867 1.00 0.00 C ATOM 91 C ALA A 7 -0.818 1.074 -3.897 1.00 0.00 C ATOM 92 O ALA A 7 -0.448 0.857 -2.755 1.00 0.00 O ATOM 93 CB ALA A 7 -2.376 -0.706 -4.694 1.00 0.00 C ATOM 0 H ALA A 7 -0.066 -1.664 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.925 0.310 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.143 0.055 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.509 -1.500 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.462 -1.123 -3.690 1.00 0.00 H new ATOM 99 N ASP A 8 -1.071 2.292 -4.346 1.00 0.00 N ATOM 100 CA ASP A 8 -0.919 3.463 -3.487 1.00 0.00 C ATOM 101 C ASP A 8 -1.920 3.426 -2.333 1.00 0.00 C ATOM 102 O ASP A 8 -3.017 2.883 -2.460 1.00 0.00 O ATOM 103 CB ASP A 8 -1.068 4.761 -4.297 1.00 0.00 C ATOM 104 CG ASP A 8 -2.496 5.046 -4.725 1.00 0.00 C ATOM 105 OD1 ASP A 8 -3.277 5.565 -3.899 1.00 0.00 O ATOM 106 OD2 ASP A 8 -2.832 4.749 -5.892 1.00 0.00 O ATOM 0 H ASP A 8 -1.381 2.499 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 8 0.086 3.442 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.702 5.597 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.436 4.702 -5.183 1.00 0.00 H new ATOM 111 N CYS A 9 -1.524 3.990 -1.202 1.00 0.00 N ATOM 112 CA CYS A 9 -2.371 4.023 -0.022 1.00 0.00 C ATOM 113 C CYS A 9 -2.217 5.332 0.723 1.00 0.00 C ATOM 114 O CYS A 9 -1.152 5.956 0.716 1.00 0.00 O ATOM 115 CB CYS A 9 -2.074 2.855 0.923 1.00 0.00 C ATOM 116 SG CYS A 9 -0.324 2.348 0.989 1.00 0.00 S ATOM 0 H CYS A 9 -0.614 4.434 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.400 3.930 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.396 3.128 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.674 1.998 0.618 1.00 0.00 H new ATOM 121 N SER A 10 -3.294 5.738 1.366 1.00 0.00 N ATOM 122 CA SER A 10 -3.309 6.967 2.132 1.00 0.00 C ATOM 123 C SER A 10 -2.655 6.744 3.494 1.00 0.00 C ATOM 124 O SER A 10 -2.955 5.771 4.183 1.00 0.00 O ATOM 125 CB SER A 10 -4.743 7.454 2.287 1.00 0.00 C ATOM 126 OG SER A 10 -5.407 7.468 1.033 1.00 0.00 O ATOM 0 H SER A 10 -4.178 5.229 1.372 1.00 0.00 H new ATOM 0 HA SER A 10 -2.738 7.732 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.279 6.806 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.748 8.455 2.718 1.00 0.00 H new ATOM 0 HG SER A 10 -6.327 7.782 1.154 1.00 0.00 H new ATOM 132 N PRO A 11 -1.729 7.633 3.877 1.00 0.00 N ATOM 133 CA PRO A 11 -0.987 7.535 5.146 1.00 0.00 C ATOM 134 C PRO A 11 -1.853 7.740 6.389 1.00 0.00 C ATOM 135 O PRO A 11 -1.753 6.984 7.351 1.00 0.00 O ATOM 136 CB PRO A 11 0.039 8.667 5.034 1.00 0.00 C ATOM 137 CG PRO A 11 -0.587 9.635 4.096 1.00 0.00 C ATOM 138 CD PRO A 11 -1.303 8.797 3.085 1.00 0.00 C ATOM 0 HA PRO A 11 -0.563 6.539 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.236 9.123 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.993 8.303 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.277 10.298 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.165 10.266 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.152 9.324 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.650 8.510 2.261 1.00 0.00 H new ATOM 146 N TRP A 12 -2.676 8.782 6.379 1.00 0.00 N ATOM 147 CA TRP A 12 -3.518 9.086 7.526 1.00 0.00 C ATOM 148 C TRP A 12 -4.752 8.195 7.567 1.00 0.00 C ATOM 149 O TRP A 12 -5.044 7.578 8.591 1.00 0.00 O ATOM 150 CB TRP A 12 -3.943 10.557 7.512 1.00 0.00 C ATOM 151 CG TRP A 12 -2.791 11.516 7.535 1.00 0.00 C ATOM 152 CD1 TRP A 12 -2.067 11.898 8.627 1.00 0.00 C ATOM 153 CD2 TRP A 12 -2.249 12.234 6.421 1.00 0.00 C ATOM 154 NE1 TRP A 12 -1.095 12.795 8.257 1.00 0.00 N ATOM 155 CE2 TRP A 12 -1.188 13.021 6.908 1.00 0.00 C ATOM 156 CE3 TRP A 12 -2.552 12.284 5.057 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -0.432 13.847 6.081 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -1.801 13.105 4.237 1.00 0.00 C ATOM 159 CH2 TRP A 12 -0.751 13.876 4.750 1.00 0.00 C ATOM 0 H TRP A 12 -2.777 9.426 5.594 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.927 8.893 8.421 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -4.543 10.744 6.621 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.582 10.750 8.373 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.234 11.546 9.634 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.414 13.224 8.884 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.359 11.692 4.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 0.377 14.444 6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.028 13.153 3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.182 14.506 4.083 1.00 0.00 H new ATOM 170 N SER A 13 -5.476 8.135 6.459 1.00 0.00 N ATOM 171 CA SER A 13 -6.689 7.320 6.383 1.00 0.00 C ATOM 172 C SER A 13 -7.076 7.050 4.935 1.00 0.00 C ATOM 173 O SER A 13 -7.067 7.958 4.106 1.00 0.00 O ATOM 174 CB SER A 13 -7.859 8.018 7.093 1.00 0.00 C ATOM 175 OG SER A 13 -7.597 8.207 8.474 1.00 0.00 O ATOM 0 H SER A 13 -5.249 8.637 5.601 1.00 0.00 H new ATOM 0 HA SER A 13 -6.477 6.373 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.046 8.983 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.765 7.424 6.972 1.00 0.00 H new ATOM 0 HG SER A 13 -6.825 7.664 8.738 1.00 0.00 H new ATOM 181 N GLY A 14 -7.422 5.803 4.647 1.00 0.00 N ATOM 182 CA GLY A 14 -7.821 5.419 3.309 1.00 0.00 C ATOM 183 C GLY A 14 -8.220 3.960 3.255 1.00 0.00 C ATOM 184 O GLY A 14 -8.509 3.362 4.292 1.00 0.00 O ATOM 0 H GLY A 14 -7.433 5.042 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.656 6.039 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.000 5.600 2.616 1.00 0.00 H new ATOM 188 N ASP A 15 -8.225 3.381 2.060 1.00 0.00 N ATOM 189 CA ASP A 15 -8.584 1.974 1.899 1.00 0.00 C ATOM 190 C ASP A 15 -7.508 1.075 2.476 1.00 0.00 C ATOM 191 O ASP A 15 -6.319 1.393 2.422 1.00 0.00 O ATOM 192 CB ASP A 15 -8.807 1.607 0.430 1.00 0.00 C ATOM 193 CG ASP A 15 -10.135 2.092 -0.115 1.00 0.00 C ATOM 194 OD1 ASP A 15 -10.921 2.697 0.644 1.00 0.00 O ATOM 195 OD2 ASP A 15 -10.420 1.843 -1.309 1.00 0.00 O ATOM 0 H ASP A 15 -7.986 3.860 1.192 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.518 1.824 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.000 2.030 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.751 0.524 0.321 1.00 0.00 H new ATOM 200 N SER A 16 -7.928 -0.048 3.020 1.00 0.00 N ATOM 201 CA SER A 16 -7.004 -1.002 3.598 1.00 0.00 C ATOM 202 C SER A 16 -6.400 -1.877 2.510 1.00 0.00 C ATOM 203 O SER A 16 -7.061 -2.203 1.530 1.00 0.00 O ATOM 204 CB SER A 16 -7.716 -1.866 4.632 1.00 0.00 C ATOM 205 OG SER A 16 -8.535 -1.073 5.473 1.00 0.00 O ATOM 0 H SER A 16 -8.909 -0.324 3.074 1.00 0.00 H new ATOM 0 HA SER A 16 -6.202 -0.454 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.324 -2.617 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.981 -2.402 5.233 1.00 0.00 H new ATOM 0 HG SER A 16 -8.984 -1.647 6.128 1.00 0.00 H new ATOM 211 N CYS A 17 -5.150 -2.253 2.686 1.00 0.00 N ATOM 212 CA CYS A 17 -4.466 -3.097 1.720 1.00 0.00 C ATOM 213 C CYS A 17 -4.961 -4.534 1.850 1.00 0.00 C ATOM 214 O CYS A 17 -5.206 -5.005 2.962 1.00 0.00 O ATOM 215 CB CYS A 17 -2.954 -3.071 1.959 1.00 0.00 C ATOM 216 SG CYS A 17 -2.257 -1.409 2.220 1.00 0.00 S ATOM 0 H CYS A 17 -4.583 -1.988 3.491 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.678 -2.717 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.726 -3.687 2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.456 -3.529 1.105 1.00 0.00 H new ATOM 221 N CYS A 18 -5.087 -5.231 0.730 1.00 0.00 N ATOM 222 CA CYS A 18 -5.515 -6.618 0.748 1.00 0.00 C ATOM 223 C CYS A 18 -4.475 -7.424 1.496 1.00 0.00 C ATOM 224 O CYS A 18 -3.285 -7.136 1.409 1.00 0.00 O ATOM 225 CB CYS A 18 -5.674 -7.179 -0.669 1.00 0.00 C ATOM 226 SG CYS A 18 -6.860 -6.279 -1.729 1.00 0.00 S ATOM 0 H CYS A 18 -4.899 -4.858 -0.200 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.487 -6.681 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.699 -7.175 -1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.991 -8.220 -0.598 1.00 0.00 H new ATOM 231 N LYS A 19 -4.910 -8.411 2.244 1.00 0.00 N ATOM 232 CA LYS A 19 -3.984 -9.214 3.010 1.00 0.00 C ATOM 233 C LYS A 19 -3.292 -10.222 2.105 1.00 0.00 C ATOM 234 O LYS A 19 -3.891 -10.728 1.158 1.00 0.00 O ATOM 235 CB LYS A 19 -4.713 -9.941 4.139 1.00 0.00 C ATOM 236 CG LYS A 19 -5.884 -9.162 4.718 1.00 0.00 C ATOM 237 CD LYS A 19 -6.622 -9.961 5.781 1.00 0.00 C ATOM 238 CE LYS A 19 -7.224 -11.238 5.210 1.00 0.00 C ATOM 239 NZ LYS A 19 -7.929 -12.034 6.252 1.00 0.00 N ATOM 0 H LYS A 19 -5.890 -8.676 2.339 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.234 -8.555 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.075 -10.899 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.003 -10.157 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.522 -8.229 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.575 -8.896 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.935 -10.212 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.413 -9.348 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.922 -10.985 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.435 -11.843 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.324 -12.895 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.257 -12.298 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.698 -11.466 6.661 1.00 0.00 H new ATOM 253 N PRO A 20 -2.015 -10.503 2.375 1.00 0.00 N ATOM 254 CA PRO A 20 -1.285 -9.921 3.486 1.00 0.00 C ATOM 255 C PRO A 20 -0.351 -8.771 3.077 1.00 0.00 C ATOM 256 O PRO A 20 0.764 -8.669 3.585 1.00 0.00 O ATOM 257 CB PRO A 20 -0.471 -11.125 3.954 1.00 0.00 C ATOM 258 CG PRO A 20 -0.195 -11.920 2.704 1.00 0.00 C ATOM 259 CD PRO A 20 -1.166 -11.443 1.642 1.00 0.00 C ATOM 0 HA PRO A 20 -1.940 -9.468 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.456 -10.812 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.025 -11.716 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.834 -11.775 2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.323 -12.986 2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.651 -10.960 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.743 -12.267 1.223 1.00 0.00 H new ATOM 267 N TYR A 21 -0.797 -7.914 2.164 1.00 0.00 N ATOM 268 CA TYR A 21 0.023 -6.789 1.710 1.00 0.00 C ATOM 269 C TYR A 21 0.013 -5.672 2.745 1.00 0.00 C ATOM 270 O TYR A 21 -0.991 -5.446 3.422 1.00 0.00 O ATOM 271 CB TYR A 21 -0.473 -6.256 0.359 1.00 0.00 C ATOM 272 CG TYR A 21 -0.717 -7.335 -0.677 1.00 0.00 C ATOM 273 CD1 TYR A 21 0.115 -8.443 -0.766 1.00 0.00 C ATOM 274 CD2 TYR A 21 -1.784 -7.244 -1.562 1.00 0.00 C ATOM 275 CE1 TYR A 21 -0.107 -9.429 -1.706 1.00 0.00 C ATOM 276 CE2 TYR A 21 -2.014 -8.227 -2.506 1.00 0.00 C ATOM 277 CZ TYR A 21 -1.172 -9.317 -2.573 1.00 0.00 C ATOM 278 OH TYR A 21 -1.395 -10.299 -3.507 1.00 0.00 O ATOM 0 H TYR A 21 -1.715 -7.973 1.724 1.00 0.00 H new ATOM 0 HA TYR A 21 1.045 -7.148 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.398 -5.702 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.259 -5.550 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.950 -8.535 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.445 -6.391 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.551 -10.284 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.848 -8.142 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.181 -9.956 -4.400 1.00 0.00 H new ATOM 288 N LEU A 22 1.138 -4.988 2.874 1.00 0.00 N ATOM 289 CA LEU A 22 1.264 -3.910 3.844 1.00 0.00 C ATOM 290 C LEU A 22 1.596 -2.580 3.168 1.00 0.00 C ATOM 291 O LEU A 22 2.432 -2.521 2.265 1.00 0.00 O ATOM 292 CB LEU A 22 2.348 -4.269 4.862 1.00 0.00 C ATOM 293 CG LEU A 22 2.629 -3.207 5.930 1.00 0.00 C ATOM 294 CD1 LEU A 22 1.413 -3.005 6.821 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.842 -3.596 6.761 1.00 0.00 C ATOM 0 H LEU A 22 1.977 -5.159 2.320 1.00 0.00 H new ATOM 0 HA LEU A 22 0.306 -3.790 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.060 -5.194 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.274 -4.472 4.324 1.00 0.00 H new ATOM 0 HG LEU A 22 2.843 -2.264 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.634 -2.247 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.568 -2.679 6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.164 -3.944 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.027 -2.831 7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.656 -4.551 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.714 -3.685 6.113 1.00 0.00 H new ATOM 307 N CYS A 23 0.940 -1.516 3.624 1.00 0.00 N ATOM 308 CA CYS A 23 1.162 -0.176 3.089 1.00 0.00 C ATOM 309 C CYS A 23 2.530 0.338 3.528 1.00 0.00 C ATOM 310 O CYS A 23 2.810 0.432 4.722 1.00 0.00 O ATOM 311 CB CYS A 23 0.051 0.769 3.570 1.00 0.00 C ATOM 312 SG CYS A 23 0.184 2.480 2.951 1.00 0.00 S ATOM 0 H CYS A 23 0.245 -1.557 4.369 1.00 0.00 H new ATOM 0 HA CYS A 23 1.138 -0.215 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.912 0.360 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.057 0.790 4.660 1.00 0.00 H new ATOM 317 N SER A 24 3.384 0.653 2.565 1.00 0.00 N ATOM 318 CA SER A 24 4.720 1.139 2.873 1.00 0.00 C ATOM 319 C SER A 24 4.817 2.647 2.660 1.00 0.00 C ATOM 320 O SER A 24 4.453 3.164 1.603 1.00 0.00 O ATOM 321 CB SER A 24 5.768 0.407 2.022 1.00 0.00 C ATOM 322 OG SER A 24 5.540 0.596 0.634 1.00 0.00 O ATOM 0 H SER A 24 3.177 0.581 1.569 1.00 0.00 H new ATOM 0 HA SER A 24 4.920 0.933 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.764 0.768 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.746 -0.658 2.253 1.00 0.00 H new ATOM 0 HG SER A 24 4.621 0.336 0.415 1.00 0.00 H new ATOM 328 N CYS A 25 5.320 3.340 3.669 1.00 0.00 N ATOM 329 CA CYS A 25 5.491 4.784 3.614 1.00 0.00 C ATOM 330 C CYS A 25 6.975 5.116 3.667 1.00 0.00 C ATOM 331 O CYS A 25 7.466 5.666 4.651 1.00 0.00 O ATOM 332 CB CYS A 25 4.753 5.465 4.772 1.00 0.00 C ATOM 333 SG CYS A 25 2.943 5.261 4.735 1.00 0.00 S ATOM 0 H CYS A 25 5.621 2.919 4.548 1.00 0.00 H new ATOM 0 HA CYS A 25 5.067 5.156 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.132 5.066 5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.987 6.530 4.760 1.00 0.00 H new ATOM 338 N ILE A 26 7.685 4.737 2.612 1.00 0.00 N ATOM 339 CA ILE A 26 9.132 4.947 2.510 1.00 0.00 C ATOM 340 C ILE A 26 9.522 6.420 2.330 1.00 0.00 C ATOM 341 O ILE A 26 10.347 6.746 1.482 1.00 0.00 O ATOM 342 CB ILE A 26 9.729 4.125 1.350 1.00 0.00 C ATOM 343 CG1 ILE A 26 8.921 4.340 0.063 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.774 2.651 1.723 1.00 0.00 C ATOM 345 CD1 ILE A 26 9.503 3.642 -1.149 1.00 0.00 C ATOM 0 H ILE A 26 7.278 4.274 1.799 1.00 0.00 H new ATOM 0 HA ILE A 26 9.543 4.610 3.461 1.00 0.00 H new ATOM 0 HB ILE A 26 10.748 4.466 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.903 3.985 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.858 5.409 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.197 2.079 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.393 2.519 2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.764 2.297 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.877 3.841 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.511 4.014 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.541 2.568 -0.967 1.00 0.00 H new ATOM 357 N PHE A 27 8.943 7.287 3.155 1.00 0.00 N ATOM 358 CA PHE A 27 9.228 8.726 3.136 1.00 0.00 C ATOM 359 C PHE A 27 8.877 9.377 1.798 1.00 0.00 C ATOM 360 O PHE A 27 9.378 10.453 1.473 1.00 0.00 O ATOM 361 CB PHE A 27 10.699 8.992 3.481 1.00 0.00 C ATOM 362 CG PHE A 27 11.026 8.834 4.944 1.00 0.00 C ATOM 363 CD1 PHE A 27 10.727 7.661 5.621 1.00 0.00 C ATOM 364 CD2 PHE A 27 11.639 9.864 5.639 1.00 0.00 C ATOM 365 CE1 PHE A 27 11.032 7.519 6.961 1.00 0.00 C ATOM 366 CE2 PHE A 27 11.947 9.729 6.980 1.00 0.00 C ATOM 367 CZ PHE A 27 11.642 8.555 7.641 1.00 0.00 C ATOM 0 H PHE A 27 8.259 7.014 3.861 1.00 0.00 H new ATOM 0 HA PHE A 27 8.591 9.180 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.325 8.311 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.957 10.004 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.250 6.848 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 27 11.879 10.784 5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.794 6.600 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 27 12.425 10.540 7.510 1.00 0.00 H new ATOM 0 HZ PHE A 27 11.880 8.447 8.689 1.00 0.00 H new ATOM 377 N PHE A 28 7.995 8.745 1.040 1.00 0.00 N ATOM 378 CA PHE A 28 7.563 9.285 -0.240 1.00 0.00 C ATOM 379 C PHE A 28 6.050 9.293 -0.310 1.00 0.00 C ATOM 380 O PHE A 28 5.399 8.308 0.031 1.00 0.00 O ATOM 381 CB PHE A 28 8.113 8.484 -1.423 1.00 0.00 C ATOM 382 CG PHE A 28 9.542 8.794 -1.788 1.00 0.00 C ATOM 383 CD1 PHE A 28 10.577 8.578 -0.894 1.00 0.00 C ATOM 384 CD2 PHE A 28 9.846 9.306 -3.040 1.00 0.00 C ATOM 385 CE1 PHE A 28 11.884 8.865 -1.237 1.00 0.00 C ATOM 386 CE2 PHE A 28 11.150 9.596 -3.390 1.00 0.00 C ATOM 387 CZ PHE A 28 12.171 9.375 -2.487 1.00 0.00 C ATOM 0 H PHE A 28 7.563 7.855 1.290 1.00 0.00 H new ATOM 0 HA PHE A 28 7.954 10.300 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.034 7.422 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.483 8.669 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.359 8.179 0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.052 9.480 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.680 8.691 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.371 9.995 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.192 9.601 -2.758 1.00 0.00 H new ATOM 397 N TYR A 29 5.508 10.410 -0.744 1.00 0.00 N ATOM 398 CA TYR A 29 4.068 10.568 -0.876 1.00 0.00 C ATOM 399 C TYR A 29 3.624 10.192 -2.289 1.00 0.00 C ATOM 400 O TYR A 29 4.171 10.701 -3.267 1.00 0.00 O ATOM 401 CB TYR A 29 3.659 12.010 -0.557 1.00 0.00 C ATOM 402 CG TYR A 29 2.172 12.184 -0.331 1.00 0.00 C ATOM 403 CD1 TYR A 29 1.516 11.464 0.660 1.00 0.00 C ATOM 404 CD2 TYR A 29 1.427 13.062 -1.107 1.00 0.00 C ATOM 405 CE1 TYR A 29 0.160 11.613 0.871 1.00 0.00 C ATOM 406 CE2 TYR A 29 0.069 13.217 -0.901 1.00 0.00 C ATOM 407 CZ TYR A 29 -0.559 12.491 0.089 1.00 0.00 C ATOM 408 OH TYR A 29 -1.910 12.639 0.297 1.00 0.00 O ATOM 0 H TYR A 29 6.046 11.233 -1.015 1.00 0.00 H new ATOM 0 HA TYR A 29 3.577 9.903 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.194 12.342 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.971 12.657 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.077 10.776 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.916 13.632 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.335 11.045 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.498 13.904 -1.513 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.268 13.296 -0.336 1.00 0.00 H new ATOM 418 N PRO A 30 2.620 9.313 -2.423 1.00 0.00 N ATOM 419 CA PRO A 30 1.943 8.687 -1.303 1.00 0.00 C ATOM 420 C PRO A 30 2.557 7.338 -0.939 1.00 0.00 C ATOM 421 O PRO A 30 3.526 6.894 -1.559 1.00 0.00 O ATOM 422 CB PRO A 30 0.531 8.503 -1.851 1.00 0.00 C ATOM 423 CG PRO A 30 0.714 8.274 -3.321 1.00 0.00 C ATOM 424 CD PRO A 30 2.065 8.843 -3.701 1.00 0.00 C ATOM 0 HA PRO A 30 2.001 9.275 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.031 7.657 -1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.084 9.383 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.666 7.210 -3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.081 8.760 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.702 8.087 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.968 9.658 -4.419 1.00 0.00 H new ATOM 432 N CYS A 31 1.972 6.680 0.044 1.00 0.00 N ATOM 433 CA CYS A 31 2.441 5.374 0.469 1.00 0.00 C ATOM 434 C CYS A 31 1.939 4.322 -0.511 1.00 0.00 C ATOM 435 O CYS A 31 1.134 4.633 -1.388 1.00 0.00 O ATOM 436 CB CYS A 31 1.936 5.071 1.880 1.00 0.00 C ATOM 437 SG CYS A 31 2.361 6.341 3.116 1.00 0.00 S ATOM 0 H CYS A 31 1.168 7.030 0.565 1.00 0.00 H new ATOM 0 HA CYS A 31 3.531 5.362 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.852 4.959 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.347 4.114 2.203 1.00 0.00 H new ATOM 442 N SER A 32 2.405 3.087 -0.388 1.00 0.00 N ATOM 443 CA SER A 32 1.966 2.041 -1.302 1.00 0.00 C ATOM 444 C SER A 32 2.039 0.648 -0.676 1.00 0.00 C ATOM 445 O SER A 32 3.073 0.245 -0.144 1.00 0.00 O ATOM 446 CB SER A 32 2.806 2.096 -2.580 1.00 0.00 C ATOM 447 OG SER A 32 4.183 2.278 -2.276 1.00 0.00 O ATOM 0 H SER A 32 3.074 2.788 0.321 1.00 0.00 H new ATOM 0 HA SER A 32 0.918 2.224 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.674 1.174 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.459 2.912 -3.213 1.00 0.00 H new ATOM 0 HG SER A 32 4.462 3.177 -2.549 1.00 0.00 H new ATOM 453 N CYS A 33 0.936 -0.087 -0.765 1.00 0.00 N ATOM 454 CA CYS A 33 0.856 -1.439 -0.245 1.00 0.00 C ATOM 455 C CYS A 33 1.724 -2.341 -1.095 1.00 0.00 C ATOM 456 O CYS A 33 1.594 -2.355 -2.323 1.00 0.00 O ATOM 457 CB CYS A 33 -0.586 -1.952 -0.267 1.00 0.00 C ATOM 458 SG CYS A 33 -1.819 -0.759 0.348 1.00 0.00 S ATOM 0 H CYS A 33 0.074 0.242 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 33 1.202 -1.440 0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.845 -2.229 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.645 -2.859 0.334 1.00 0.00 H new ATOM 463 N ARG A 34 2.610 -3.069 -0.436 1.00 0.00 N ATOM 464 CA ARG A 34 3.530 -3.973 -1.103 1.00 0.00 C ATOM 465 C ARG A 34 3.274 -5.407 -0.654 1.00 0.00 C ATOM 466 O ARG A 34 2.841 -5.636 0.477 1.00 0.00 O ATOM 467 CB ARG A 34 4.974 -3.573 -0.785 1.00 0.00 C ATOM 468 CG ARG A 34 5.306 -2.139 -1.164 1.00 0.00 C ATOM 469 CD ARG A 34 5.274 -1.938 -2.670 1.00 0.00 C ATOM 470 NE ARG A 34 5.315 -0.523 -3.036 1.00 0.00 N ATOM 471 CZ ARG A 34 5.453 -0.078 -4.285 1.00 0.00 C ATOM 472 NH1 ARG A 34 5.630 -0.933 -5.286 1.00 0.00 N ATOM 473 NH2 ARG A 34 5.418 1.227 -4.527 1.00 0.00 N ATOM 0 H ARG A 34 2.711 -3.049 0.579 1.00 0.00 H new ATOM 0 HA ARG A 34 3.372 -3.909 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.153 -3.709 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.652 -4.245 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.594 -1.463 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.294 -1.880 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.121 -2.454 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.370 -2.391 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 34 5.233 0.167 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.661 -1.936 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.735 -0.587 -6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.286 1.885 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.523 1.572 -5.481 1.00 0.00 H new ATOM 487 N PRO A 35 3.534 -6.385 -1.539 1.00 0.00 N ATOM 488 CA PRO A 35 3.337 -7.807 -1.236 1.00 0.00 C ATOM 489 C PRO A 35 4.148 -8.245 -0.023 1.00 0.00 C ATOM 490 O PRO A 35 5.258 -7.766 0.193 1.00 0.00 O ATOM 491 CB PRO A 35 3.842 -8.526 -2.491 1.00 0.00 C ATOM 492 CG PRO A 35 3.809 -7.503 -3.572 1.00 0.00 C ATOM 493 CD PRO A 35 4.045 -6.178 -2.905 1.00 0.00 C ATOM 0 HA PRO A 35 2.297 -8.029 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.851 -8.910 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.209 -9.378 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.575 -7.703 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.849 -7.513 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.102 -5.913 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.516 -5.372 -3.414 1.00 0.00 H new ATOM 501 N LYS A 36 3.595 -9.152 0.771 1.00 0.00 N ATOM 502 CA LYS A 36 4.284 -9.636 1.960 1.00 0.00 C ATOM 503 C LYS A 36 5.340 -10.671 1.581 1.00 0.00 C ATOM 504 O LYS A 36 5.206 -11.864 1.866 1.00 0.00 O ATOM 505 CB LYS A 36 3.288 -10.230 2.959 1.00 0.00 C ATOM 506 CG LYS A 36 3.928 -10.698 4.258 1.00 0.00 C ATOM 507 CD LYS A 36 2.939 -11.459 5.124 1.00 0.00 C ATOM 508 CE LYS A 36 3.649 -12.229 6.225 1.00 0.00 C ATOM 509 NZ LYS A 36 4.597 -13.235 5.670 1.00 0.00 N ATOM 0 H LYS A 36 2.676 -9.566 0.615 1.00 0.00 H new ATOM 0 HA LYS A 36 4.782 -8.790 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.528 -9.483 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.777 -11.072 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.783 -11.336 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.308 -9.837 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.227 -10.762 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.366 -12.150 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.191 -11.533 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.912 -12.731 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.450 -14.149 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.430 -13.343 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.574 -12.916 5.829 1.00 0.00 H new ATOM 523 N GLY A 37 6.376 -10.195 0.922 1.00 0.00 N ATOM 524 CA GLY A 37 7.449 -11.052 0.479 1.00 0.00 C ATOM 525 C GLY A 37 7.927 -10.645 -0.891 1.00 0.00 C ATOM 526 O GLY A 37 8.141 -11.488 -1.760 1.00 0.00 O ATOM 0 H GLY A 37 6.495 -9.211 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.276 -11.003 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.109 -12.087 0.458 1.00 0.00 H new ATOM 530 N TRP A 38 8.074 -9.339 -1.079 1.00 0.00 N ATOM 531 CA TRP A 38 8.521 -8.796 -2.355 1.00 0.00 C ATOM 532 C TRP A 38 10.020 -9.027 -2.538 1.00 0.00 C ATOM 533 O TRP A 38 10.494 -8.958 -3.690 1.00 0.00 O ATOM 534 CB TRP A 38 8.179 -7.297 -2.455 1.00 0.00 C ATOM 535 CG TRP A 38 9.017 -6.398 -1.583 1.00 0.00 C ATOM 536 CD1 TRP A 38 10.307 -6.008 -1.809 1.00 0.00 C ATOM 537 CD2 TRP A 38 8.624 -5.777 -0.351 1.00 0.00 C ATOM 538 NE1 TRP A 38 10.736 -5.183 -0.798 1.00 0.00 N ATOM 539 CE2 TRP A 38 9.725 -5.028 0.110 1.00 0.00 C ATOM 540 CE3 TRP A 38 7.452 -5.780 0.408 1.00 0.00 C ATOM 541 CZ2 TRP A 38 9.685 -4.292 1.291 1.00 0.00 C ATOM 542 CZ3 TRP A 38 7.412 -5.050 1.581 1.00 0.00 C ATOM 543 CH2 TRP A 38 8.522 -4.315 2.012 1.00 0.00 C ATOM 544 OXT TRP A 38 10.708 -9.264 -1.520 1.00 0.00 O ATOM 0 H TRP A 38 7.890 -8.636 -0.363 1.00 0.00 H new ATOM 0 HA TRP A 38 7.996 -9.317 -3.156 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.292 -6.981 -3.492 1.00 0.00 H new ATOM 0 HB3 TRP A 38 7.130 -7.160 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 38 10.903 -6.305 -2.659 1.00 0.00 H new ATOM 0 HE1 TRP A 38 11.660 -4.755 -0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.590 -6.344 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.540 -3.724 1.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.510 -5.047 2.174 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.460 -3.754 2.933 1.00 0.00 H new TER 555 TRP A 38