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+ 145:sc= -1.05 (180deg=-3.25!) USER MOD Single : A 1 LYS NZ :NH3+ -120:sc= 0.952 (180deg=-1.74!) USER MOD Single : A 10 SER OG : rot -130:sc= -0.787 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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 -59:sc= 1.29 USER MOD Single : A 24 SER OG : rot 130:sc= -0.455 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -69:sc= 2.36 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0429 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.767 -3.846 -2.078 1.00 0.00 N ATOM 2 CA LYS A 1 -13.610 -3.354 -2.857 1.00 0.00 C ATOM 3 C LYS A 1 -12.433 -3.105 -1.925 1.00 0.00 C ATOM 4 O LYS A 1 -12.626 -2.849 -0.738 1.00 0.00 O ATOM 5 CB LYS A 1 -14.001 -2.081 -3.635 1.00 0.00 C ATOM 6 CG LYS A 1 -14.242 -0.833 -2.785 1.00 0.00 C ATOM 7 CD LYS A 1 -15.547 -0.894 -2.001 1.00 0.00 C ATOM 8 CE LYS A 1 -15.838 0.426 -1.295 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.752 0.816 -0.357 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.647 -3.476 -2.492 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.784 -4.886 -2.101 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.685 -3.523 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.309 -4.107 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.213 -1.861 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.906 -2.290 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.412 -0.707 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.253 0.045 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.368 -1.135 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.494 -1.697 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.972 1.211 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.776 0.343 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.136 0.892 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.002 0.095 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.357 1.734 -0.646 1.00 0.00 H new ATOM 25 N CYS A 2 -11.232 -3.230 -2.466 1.00 0.00 N ATOM 26 CA CYS A 2 -10.002 -3.058 -1.706 1.00 0.00 C ATOM 27 C CYS A 2 -8.852 -2.796 -2.664 1.00 0.00 C ATOM 28 O CYS A 2 -8.936 -3.127 -3.849 1.00 0.00 O ATOM 29 CB CYS A 2 -9.728 -4.307 -0.861 1.00 0.00 C ATOM 30 SG CYS A 2 -9.833 -5.876 -1.783 1.00 0.00 S ATOM 0 H CYS A 2 -11.081 -3.455 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 2 -10.104 -2.207 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.734 -4.223 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.439 -4.336 -0.036 1.00 0.00 H new ATOM 35 N LEU A 3 -7.798 -2.193 -2.157 1.00 0.00 N ATOM 36 CA LEU A 3 -6.634 -1.878 -2.965 1.00 0.00 C ATOM 37 C LEU A 3 -5.769 -3.123 -3.140 1.00 0.00 C ATOM 38 O LEU A 3 -5.289 -3.690 -2.164 1.00 0.00 O ATOM 39 CB LEU A 3 -5.832 -0.767 -2.292 1.00 0.00 C ATOM 40 CG LEU A 3 -6.619 0.506 -1.971 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.732 1.516 -1.259 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.201 1.111 -3.239 1.00 0.00 C ATOM 0 H LEU A 3 -7.721 -1.908 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.957 -1.538 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.410 -1.156 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.995 -0.503 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.442 0.241 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.308 2.415 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.363 1.084 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.888 1.774 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.757 2.015 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.393 1.360 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.871 0.392 -3.711 1.00 0.00 H new ATOM 54 N ALA A 4 -5.578 -3.554 -4.377 1.00 0.00 N ATOM 55 CA ALA A 4 -4.783 -4.748 -4.644 1.00 0.00 C ATOM 56 C ALA A 4 -3.290 -4.457 -4.561 1.00 0.00 C ATOM 57 O ALA A 4 -2.871 -3.440 -4.006 1.00 0.00 O ATOM 58 CB ALA A 4 -5.141 -5.315 -6.011 1.00 0.00 C ATOM 0 H ALA A 4 -5.958 -3.101 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.015 -5.487 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.543 -6.206 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.199 -5.576 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.937 -4.569 -6.779 1.00 0.00 H new ATOM 64 N GLU A 5 -2.488 -5.355 -5.107 1.00 0.00 N ATOM 65 CA GLU A 5 -1.051 -5.189 -5.089 1.00 0.00 C ATOM 66 C GLU A 5 -0.619 -4.092 -6.048 1.00 0.00 C ATOM 67 O GLU A 5 -1.104 -4.000 -7.176 1.00 0.00 O ATOM 68 CB GLU A 5 -0.341 -6.507 -5.394 1.00 0.00 C ATOM 69 CG GLU A 5 -0.936 -7.284 -6.554 1.00 0.00 C ATOM 70 CD GLU A 5 -0.412 -8.701 -6.605 1.00 0.00 C ATOM 71 OE1 GLU A 5 0.811 -8.874 -6.781 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.221 -9.637 -6.434 1.00 0.00 O ATOM 0 H GLU A 5 -2.811 -6.206 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.760 -4.884 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.707 -6.300 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.365 -7.134 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.022 -7.301 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.703 -6.776 -7.490 1.00 0.00 H new ATOM 79 N ALA A 6 0.261 -3.245 -5.540 1.00 0.00 N ATOM 80 CA ALA A 6 0.787 -2.091 -6.256 1.00 0.00 C ATOM 81 C ALA A 6 -0.301 -1.049 -6.454 1.00 0.00 C ATOM 82 O ALA A 6 -0.364 -0.386 -7.489 1.00 0.00 O ATOM 83 CB ALA A 6 1.415 -2.497 -7.585 1.00 0.00 C ATOM 0 H ALA A 6 0.639 -3.341 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 6 1.577 -1.648 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.797 -1.611 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.234 -3.193 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.663 -2.978 -8.211 1.00 0.00 H new ATOM 89 N ALA A 7 -1.152 -0.900 -5.447 1.00 0.00 N ATOM 90 CA ALA A 7 -2.236 0.075 -5.524 1.00 0.00 C ATOM 91 C ALA A 7 -1.961 1.271 -4.625 1.00 0.00 C ATOM 92 O ALA A 7 -1.662 1.105 -3.449 1.00 0.00 O ATOM 93 CB ALA A 7 -3.563 -0.570 -5.158 1.00 0.00 C ATOM 0 H ALA A 7 -1.116 -1.433 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.295 0.431 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.358 0.173 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.773 -1.387 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.510 -0.959 -4.141 1.00 0.00 H new ATOM 99 N ASP A 8 -2.065 2.468 -5.189 1.00 0.00 N ATOM 100 CA ASP A 8 -1.825 3.708 -4.445 1.00 0.00 C ATOM 101 C ASP A 8 -2.771 3.825 -3.251 1.00 0.00 C ATOM 102 O ASP A 8 -3.976 3.594 -3.378 1.00 0.00 O ATOM 103 CB ASP A 8 -2.005 4.914 -5.372 1.00 0.00 C ATOM 104 CG ASP A 8 -1.740 6.236 -4.674 1.00 0.00 C ATOM 105 OD1 ASP A 8 -0.599 6.447 -4.218 1.00 0.00 O ATOM 106 OD2 ASP A 8 -2.674 7.061 -4.594 1.00 0.00 O ATOM 0 H ASP A 8 -2.316 2.611 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.802 3.688 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.331 4.816 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.021 4.914 -5.768 1.00 0.00 H new ATOM 111 N CYS A 9 -2.224 4.184 -2.094 1.00 0.00 N ATOM 112 CA CYS A 9 -3.032 4.332 -0.891 1.00 0.00 C ATOM 113 C CYS A 9 -3.473 5.776 -0.722 1.00 0.00 C ATOM 114 O CYS A 9 -2.804 6.704 -1.168 1.00 0.00 O ATOM 115 CB CYS A 9 -2.273 3.906 0.365 1.00 0.00 C ATOM 116 SG CYS A 9 -1.399 2.312 0.237 1.00 0.00 S ATOM 0 H CYS A 9 -1.231 4.377 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.899 3.683 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.548 4.681 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.977 3.851 1.195 1.00 0.00 H new ATOM 121 N SER A 10 -4.591 5.957 -0.048 1.00 0.00 N ATOM 122 CA SER A 10 -5.117 7.285 0.205 1.00 0.00 C ATOM 123 C SER A 10 -4.368 7.928 1.371 1.00 0.00 C ATOM 124 O SER A 10 -4.190 7.308 2.419 1.00 0.00 O ATOM 125 CB SER A 10 -6.609 7.189 0.502 1.00 0.00 C ATOM 126 OG SER A 10 -7.261 6.399 -0.480 1.00 0.00 O ATOM 0 H SER A 10 -5.155 5.199 0.336 1.00 0.00 H new ATOM 0 HA SER A 10 -4.975 7.912 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.762 6.752 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.047 8.187 0.524 1.00 0.00 H new ATOM 0 HG SER A 10 -8.046 6.879 -0.818 1.00 0.00 H new ATOM 132 N PRO A 11 -3.890 9.167 1.183 1.00 0.00 N ATOM 133 CA PRO A 11 -3.117 9.897 2.200 1.00 0.00 C ATOM 134 C PRO A 11 -3.872 10.120 3.514 1.00 0.00 C ATOM 135 O PRO A 11 -3.399 9.728 4.576 1.00 0.00 O ATOM 136 CB PRO A 11 -2.811 11.242 1.528 1.00 0.00 C ATOM 137 CG PRO A 11 -3.778 11.347 0.398 1.00 0.00 C ATOM 138 CD PRO A 11 -4.028 9.942 -0.058 1.00 0.00 C ATOM 0 HA PRO A 11 -2.234 9.330 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.933 12.068 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.782 11.278 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.704 11.824 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.370 11.954 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.019 9.830 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.308 9.628 -0.813 1.00 0.00 H new ATOM 146 N TRP A 12 -5.030 10.764 3.443 1.00 0.00 N ATOM 147 CA TRP A 12 -5.812 11.040 4.644 1.00 0.00 C ATOM 148 C TRP A 12 -6.645 9.831 5.052 1.00 0.00 C ATOM 149 O TRP A 12 -6.622 9.411 6.207 1.00 0.00 O ATOM 150 CB TRP A 12 -6.723 12.253 4.432 1.00 0.00 C ATOM 151 CG TRP A 12 -5.977 13.514 4.115 1.00 0.00 C ATOM 152 CD1 TRP A 12 -5.380 14.357 5.007 1.00 0.00 C ATOM 153 CD2 TRP A 12 -5.772 14.090 2.819 1.00 0.00 C ATOM 154 NE1 TRP A 12 -4.800 15.411 4.345 1.00 0.00 N ATOM 155 CE2 TRP A 12 -5.029 15.271 3.002 1.00 0.00 C ATOM 156 CE3 TRP A 12 -6.138 13.718 1.521 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -4.646 16.083 1.936 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -5.758 14.526 0.465 1.00 0.00 C ATOM 159 CH2 TRP A 12 -5.018 15.696 0.678 1.00 0.00 C ATOM 0 H TRP A 12 -5.447 11.103 2.576 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.110 11.261 5.448 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.418 12.038 3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.320 12.410 5.330 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.366 14.216 6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.283 16.174 4.782 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.707 12.817 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.076 16.986 2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.037 14.250 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.735 16.305 -0.168 1.00 0.00 H new ATOM 170 N SER A 13 -7.385 9.285 4.095 1.00 0.00 N ATOM 171 CA SER A 13 -8.236 8.132 4.340 1.00 0.00 C ATOM 172 C SER A 13 -8.857 7.676 3.028 1.00 0.00 C ATOM 173 O SER A 13 -9.068 8.489 2.125 1.00 0.00 O ATOM 174 CB SER A 13 -9.337 8.477 5.354 1.00 0.00 C ATOM 175 OG SER A 13 -10.008 7.312 5.804 1.00 0.00 O ATOM 0 H SER A 13 -7.411 9.627 3.135 1.00 0.00 H new ATOM 0 HA SER A 13 -7.631 7.327 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.900 8.999 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.054 9.159 4.897 1.00 0.00 H new ATOM 0 HG SER A 13 -10.702 7.563 6.449 1.00 0.00 H new ATOM 181 N GLY A 14 -9.131 6.385 2.920 1.00 0.00 N ATOM 182 CA GLY A 14 -9.717 5.848 1.711 1.00 0.00 C ATOM 183 C GLY A 14 -10.033 4.376 1.842 1.00 0.00 C ATOM 184 O GLY A 14 -10.418 3.914 2.917 1.00 0.00 O ATOM 0 H GLY A 14 -8.957 5.697 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.630 6.395 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.031 5.999 0.877 1.00 0.00 H new ATOM 188 N ASP A 15 -9.870 3.636 0.755 1.00 0.00 N ATOM 189 CA ASP A 15 -10.144 2.205 0.763 1.00 0.00 C ATOM 190 C ASP A 15 -9.006 1.420 1.389 1.00 0.00 C ATOM 191 O ASP A 15 -7.868 1.886 1.454 1.00 0.00 O ATOM 192 CB ASP A 15 -10.421 1.676 -0.640 1.00 0.00 C ATOM 193 CG ASP A 15 -11.881 1.337 -0.835 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.706 2.266 -0.965 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.226 0.135 -0.817 1.00 0.00 O ATOM 0 H ASP A 15 -9.550 4.001 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.039 2.065 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.120 2.422 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.815 0.788 -0.820 1.00 0.00 H new ATOM 200 N SER A 16 -9.330 0.227 1.849 1.00 0.00 N ATOM 201 CA SER A 16 -8.356 -0.643 2.478 1.00 0.00 C ATOM 202 C SER A 16 -7.738 -1.596 1.469 1.00 0.00 C ATOM 203 O SER A 16 -8.373 -1.967 0.490 1.00 0.00 O ATOM 204 CB SER A 16 -9.012 -1.430 3.606 1.00 0.00 C ATOM 205 OG SER A 16 -9.720 -0.563 4.476 1.00 0.00 O ATOM 0 H SER A 16 -10.270 -0.165 1.798 1.00 0.00 H new ATOM 0 HA SER A 16 -7.560 -0.021 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.694 -2.172 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.252 -1.974 4.166 1.00 0.00 H new ATOM 0 HG SER A 16 -10.136 -1.087 5.193 1.00 0.00 H new ATOM 211 N CYS A 17 -6.500 -1.987 1.718 1.00 0.00 N ATOM 212 CA CYS A 17 -5.792 -2.907 0.838 1.00 0.00 C ATOM 213 C CYS A 17 -6.382 -4.311 0.962 1.00 0.00 C ATOM 214 O CYS A 17 -6.770 -4.731 2.053 1.00 0.00 O ATOM 215 CB CYS A 17 -4.300 -2.962 1.194 1.00 0.00 C ATOM 216 SG CYS A 17 -3.483 -1.339 1.361 1.00 0.00 S ATOM 0 H CYS A 17 -5.960 -1.681 2.527 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.903 -2.547 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.186 -3.507 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.780 -3.536 0.427 1.00 0.00 H new ATOM 221 N CYS A 18 -6.427 -5.035 -0.148 1.00 0.00 N ATOM 222 CA CYS A 18 -6.937 -6.395 -0.161 1.00 0.00 C ATOM 223 C CYS A 18 -6.035 -7.276 0.679 1.00 0.00 C ATOM 224 O CYS A 18 -4.835 -7.046 0.758 1.00 0.00 O ATOM 225 CB CYS A 18 -6.992 -6.946 -1.590 1.00 0.00 C ATOM 226 SG CYS A 18 -8.044 -5.997 -2.734 1.00 0.00 S ATOM 0 H CYS A 18 -6.113 -4.697 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.947 -6.390 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.979 -6.978 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.353 -7.974 -1.554 1.00 0.00 H new ATOM 231 N LYS A 19 -6.611 -8.277 1.305 1.00 0.00 N ATOM 232 CA LYS A 19 -5.841 -9.178 2.138 1.00 0.00 C ATOM 233 C LYS A 19 -5.078 -10.194 1.285 1.00 0.00 C ATOM 234 O LYS A 19 -5.610 -10.722 0.304 1.00 0.00 O ATOM 235 CB LYS A 19 -6.761 -9.891 3.144 1.00 0.00 C ATOM 236 CG LYS A 19 -8.211 -10.072 2.688 1.00 0.00 C ATOM 237 CD LYS A 19 -8.336 -10.994 1.481 1.00 0.00 C ATOM 238 CE LYS A 19 -7.851 -12.403 1.788 1.00 0.00 C ATOM 239 NZ LYS A 19 -7.679 -13.206 0.545 1.00 0.00 N ATOM 0 H LYS A 19 -7.607 -8.489 1.255 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.109 -8.592 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.341 -10.873 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.758 -9.327 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.799 -10.477 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.635 -9.098 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.377 -11.031 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.760 -10.585 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.903 -12.354 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.564 -12.899 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.348 -14.160 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.589 -13.273 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.980 -12.745 -0.072 1.00 0.00 H new ATOM 253 N PRO A 20 -3.810 -10.471 1.633 1.00 0.00 N ATOM 254 CA PRO A 20 -3.126 -9.885 2.774 1.00 0.00 C ATOM 255 C PRO A 20 -2.101 -8.808 2.393 1.00 0.00 C ATOM 256 O PRO A 20 -1.045 -8.713 3.016 1.00 0.00 O ATOM 257 CB PRO A 20 -2.406 -11.115 3.320 1.00 0.00 C ATOM 258 CG PRO A 20 -2.065 -11.935 2.100 1.00 0.00 C ATOM 259 CD PRO A 20 -2.919 -11.415 0.958 1.00 0.00 C ATOM 0 HA PRO A 20 -3.803 -9.372 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.509 -10.836 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.042 -11.673 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.006 -11.846 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.263 -12.992 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.317 -10.928 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.473 -12.216 0.468 1.00 0.00 H new ATOM 267 N TYR A 21 -2.403 -8.004 1.380 1.00 0.00 N ATOM 268 CA TYR A 21 -1.485 -6.952 0.953 1.00 0.00 C ATOM 269 C TYR A 21 -1.437 -5.830 1.983 1.00 0.00 C ATOM 270 O TYR A 21 -2.443 -5.494 2.608 1.00 0.00 O ATOM 271 CB TYR A 21 -1.864 -6.392 -0.423 1.00 0.00 C ATOM 272 CG TYR A 21 -2.100 -7.457 -1.473 1.00 0.00 C ATOM 273 CD1 TYR A 21 -1.034 -8.051 -2.134 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.385 -7.864 -1.808 1.00 0.00 C ATOM 275 CE1 TYR A 21 -1.240 -9.021 -3.095 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.600 -8.834 -2.768 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.523 -9.409 -3.409 1.00 0.00 C ATOM 278 OH TYR A 21 -2.734 -10.375 -4.363 1.00 0.00 O ATOM 0 H TYR A 21 -3.268 -8.058 0.842 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.494 -7.399 0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.766 -5.788 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.071 -5.727 -0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.026 -7.749 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.231 -7.414 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.398 -9.473 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.606 -9.140 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.350 -10.082 -5.216 1.00 0.00 H new ATOM 288 N LEU A 22 -0.254 -5.274 2.161 1.00 0.00 N ATOM 289 CA LEU A 22 -0.038 -4.208 3.123 1.00 0.00 C ATOM 290 C LEU A 22 0.403 -2.929 2.423 1.00 0.00 C ATOM 291 O LEU A 22 1.211 -2.972 1.494 1.00 0.00 O ATOM 292 CB LEU A 22 1.030 -4.650 4.124 1.00 0.00 C ATOM 293 CG LEU A 22 1.383 -3.633 5.210 1.00 0.00 C ATOM 294 CD1 LEU A 22 0.229 -3.475 6.185 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.649 -4.050 5.940 1.00 0.00 C ATOM 0 H LEU A 22 0.583 -5.547 1.645 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.973 -4.003 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.692 -5.567 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.938 -4.896 3.573 1.00 0.00 H new ATOM 0 HG LEU A 22 1.565 -2.669 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.497 -2.748 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.655 -3.129 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.016 -4.435 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.885 -3.314 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.497 -5.024 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.475 -4.111 5.231 1.00 0.00 H new ATOM 307 N CYS A 23 -0.113 -1.791 2.874 1.00 0.00 N ATOM 308 CA CYS A 23 0.259 -0.512 2.288 1.00 0.00 C ATOM 309 C CYS A 23 1.663 -0.132 2.730 1.00 0.00 C ATOM 310 O CYS A 23 1.920 0.080 3.916 1.00 0.00 O ATOM 311 CB CYS A 23 -0.729 0.594 2.668 1.00 0.00 C ATOM 312 SG CYS A 23 -0.313 2.221 1.953 1.00 0.00 S ATOM 0 H CYS A 23 -0.786 -1.729 3.638 1.00 0.00 H new ATOM 0 HA CYS A 23 0.233 -0.620 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.728 0.306 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.764 0.682 3.754 1.00 0.00 H new ATOM 317 N SER A 24 2.566 -0.053 1.773 1.00 0.00 N ATOM 318 CA SER A 24 3.942 0.296 2.049 1.00 0.00 C ATOM 319 C SER A 24 4.224 1.700 1.544 1.00 0.00 C ATOM 320 O SER A 24 3.707 2.099 0.507 1.00 0.00 O ATOM 321 CB SER A 24 4.880 -0.707 1.380 1.00 0.00 C ATOM 322 OG SER A 24 4.709 -0.701 -0.026 1.00 0.00 O ATOM 0 H SER A 24 2.367 -0.228 0.788 1.00 0.00 H new ATOM 0 HA SER A 24 4.112 0.266 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.914 -0.463 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.687 -1.707 1.769 1.00 0.00 H new ATOM 0 HG SER A 24 5.583 -0.615 -0.461 1.00 0.00 H new ATOM 328 N CYS A 25 5.036 2.443 2.270 1.00 0.00 N ATOM 329 CA CYS A 25 5.379 3.798 1.876 1.00 0.00 C ATOM 330 C CYS A 25 6.835 4.064 2.233 1.00 0.00 C ATOM 331 O CYS A 25 7.152 4.965 3.008 1.00 0.00 O ATOM 332 CB CYS A 25 4.459 4.811 2.562 1.00 0.00 C ATOM 333 SG CYS A 25 4.320 6.397 1.675 1.00 0.00 S ATOM 0 H CYS A 25 5.472 2.132 3.138 1.00 0.00 H new ATOM 0 HA CYS A 25 5.245 3.907 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.466 4.374 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.829 5.000 3.570 1.00 0.00 H new ATOM 338 N ILE A 26 7.714 3.241 1.677 1.00 0.00 N ATOM 339 CA ILE A 26 9.142 3.352 1.931 1.00 0.00 C ATOM 340 C ILE A 26 9.793 4.381 1.007 1.00 0.00 C ATOM 341 O ILE A 26 9.121 5.227 0.427 1.00 0.00 O ATOM 342 CB ILE A 26 9.841 1.978 1.779 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.687 1.445 0.352 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.270 0.984 2.783 1.00 0.00 C ATOM 345 CD1 ILE A 26 10.406 0.136 0.105 1.00 0.00 C ATOM 0 H ILE A 26 7.459 2.484 1.043 1.00 0.00 H new ATOM 0 HA ILE A 26 9.265 3.692 2.959 1.00 0.00 H new ATOM 0 HB ILE A 26 10.904 2.108 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.627 1.312 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.063 2.192 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.769 0.022 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.431 1.356 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.201 0.862 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.249 -0.176 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.473 0.267 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.014 -0.627 0.778 1.00 0.00 H new ATOM 357 N PHE A 27 11.110 4.307 0.904 1.00 0.00 N ATOM 358 CA PHE A 27 11.881 5.235 0.081 1.00 0.00 C ATOM 359 C PHE A 27 11.610 5.063 -1.415 1.00 0.00 C ATOM 360 O PHE A 27 11.151 5.984 -2.081 1.00 0.00 O ATOM 361 CB PHE A 27 13.377 5.046 0.339 1.00 0.00 C ATOM 362 CG PHE A 27 13.856 5.595 1.656 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.278 5.194 2.851 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.895 6.511 1.696 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.726 5.696 4.058 1.00 0.00 C ATOM 366 CE2 PHE A 27 15.347 7.016 2.901 1.00 0.00 C ATOM 367 CZ PHE A 27 14.762 6.609 4.083 1.00 0.00 C ATOM 0 H PHE A 27 11.676 3.607 1.384 1.00 0.00 H new ATOM 0 HA PHE A 27 11.566 6.239 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.609 3.982 0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.935 5.526 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.467 4.480 2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 27 15.357 6.834 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.266 5.375 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 27 16.158 7.729 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 27 15.113 7.003 5.025 1.00 0.00 H new ATOM 377 N PHE A 28 11.938 3.887 -1.940 1.00 0.00 N ATOM 378 CA PHE A 28 11.764 3.609 -3.365 1.00 0.00 C ATOM 379 C PHE A 28 10.295 3.434 -3.727 1.00 0.00 C ATOM 380 O PHE A 28 9.836 3.918 -4.759 1.00 0.00 O ATOM 381 CB PHE A 28 12.551 2.357 -3.772 1.00 0.00 C ATOM 382 CG PHE A 28 14.045 2.543 -3.782 1.00 0.00 C ATOM 383 CD1 PHE A 28 14.727 2.921 -2.635 1.00 0.00 C ATOM 384 CD2 PHE A 28 14.767 2.337 -4.947 1.00 0.00 C ATOM 385 CE1 PHE A 28 16.098 3.092 -2.651 1.00 0.00 C ATOM 386 CE2 PHE A 28 16.139 2.506 -4.969 1.00 0.00 C ATOM 387 CZ PHE A 28 16.805 2.884 -3.818 1.00 0.00 C ATOM 0 H PHE A 28 12.325 3.111 -1.403 1.00 0.00 H new ATOM 0 HA PHE A 28 12.150 4.469 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.302 1.546 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.228 2.046 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 28 14.180 3.084 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 28 14.252 2.041 -5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.616 3.388 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.690 2.343 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.877 3.016 -3.832 1.00 0.00 H new ATOM 397 N TYR A 29 9.567 2.733 -2.876 1.00 0.00 N ATOM 398 CA TYR A 29 8.151 2.493 -3.116 1.00 0.00 C ATOM 399 C TYR A 29 7.299 3.512 -2.376 1.00 0.00 C ATOM 400 O TYR A 29 7.348 3.594 -1.152 1.00 0.00 O ATOM 401 CB TYR A 29 7.737 1.087 -2.675 1.00 0.00 C ATOM 402 CG TYR A 29 8.303 -0.042 -3.513 1.00 0.00 C ATOM 403 CD1 TYR A 29 9.672 -0.189 -3.706 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.457 -0.974 -4.098 1.00 0.00 C ATOM 405 CE1 TYR A 29 10.179 -1.228 -4.462 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.957 -2.017 -4.854 1.00 0.00 C ATOM 407 CZ TYR A 29 9.317 -2.140 -5.033 1.00 0.00 C ATOM 408 OH TYR A 29 9.815 -3.177 -5.785 1.00 0.00 O ATOM 0 H TYR A 29 9.929 2.321 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 29 7.989 2.589 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.047 0.941 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.649 1.023 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.351 0.521 -3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.390 -0.882 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.245 -1.325 -4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.284 -2.733 -5.303 1.00 0.00 H new ATOM 0 HH TYR A 29 9.074 -3.728 -6.113 1.00 0.00 H new ATOM 418 N PRO A 30 6.484 4.277 -3.111 1.00 0.00 N ATOM 419 CA PRO A 30 5.596 5.275 -2.519 1.00 0.00 C ATOM 420 C PRO A 30 4.415 4.610 -1.823 1.00 0.00 C ATOM 421 O PRO A 30 4.244 3.394 -1.931 1.00 0.00 O ATOM 422 CB PRO A 30 5.132 6.097 -3.721 1.00 0.00 C ATOM 423 CG PRO A 30 5.234 5.170 -4.885 1.00 0.00 C ATOM 424 CD PRO A 30 6.347 4.204 -4.573 1.00 0.00 C ATOM 0 HA PRO A 30 6.085 5.879 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.110 6.451 -3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.758 6.978 -3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.294 4.640 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.445 5.721 -5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.102 3.194 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.272 4.486 -5.075 1.00 0.00 H new ATOM 432 N CYS A 31 3.613 5.401 -1.110 1.00 0.00 N ATOM 433 CA CYS A 31 2.447 4.882 -0.390 1.00 0.00 C ATOM 434 C CYS A 31 1.550 4.055 -1.313 1.00 0.00 C ATOM 435 O CYS A 31 0.759 4.597 -2.076 1.00 0.00 O ATOM 436 CB CYS A 31 1.629 6.033 0.215 1.00 0.00 C ATOM 437 SG CYS A 31 2.331 6.805 1.719 1.00 0.00 S ATOM 0 H CYS A 31 3.749 6.407 -1.015 1.00 0.00 H new ATOM 0 HA CYS A 31 2.816 4.240 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.508 6.806 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.633 5.660 0.452 1.00 0.00 H new ATOM 442 N SER A 32 1.689 2.740 -1.242 1.00 0.00 N ATOM 443 CA SER A 32 0.908 1.845 -2.076 1.00 0.00 C ATOM 444 C SER A 32 0.883 0.439 -1.484 1.00 0.00 C ATOM 445 O SER A 32 1.881 -0.025 -0.921 1.00 0.00 O ATOM 446 CB SER A 32 1.489 1.818 -3.493 1.00 0.00 C ATOM 447 OG SER A 32 2.902 1.653 -3.465 1.00 0.00 O ATOM 0 H SER A 32 2.339 2.269 -0.612 1.00 0.00 H new ATOM 0 HA SER A 32 -0.117 2.212 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.036 1.004 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.238 2.744 -4.010 1.00 0.00 H new ATOM 0 HG SER A 32 3.319 2.463 -3.103 1.00 0.00 H new ATOM 453 N CYS A 33 -0.253 -0.233 -1.617 1.00 0.00 N ATOM 454 CA CYS A 33 -0.407 -1.583 -1.109 1.00 0.00 C ATOM 455 C CYS A 33 0.439 -2.518 -1.938 1.00 0.00 C ATOM 456 O CYS A 33 0.408 -2.455 -3.167 1.00 0.00 O ATOM 457 CB CYS A 33 -1.870 -2.032 -1.145 1.00 0.00 C ATOM 458 SG CYS A 33 -3.057 -0.784 -0.546 1.00 0.00 S ATOM 0 H CYS A 33 -1.084 0.141 -2.076 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.081 -1.603 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.130 -2.300 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.975 -2.934 -0.542 1.00 0.00 H new ATOM 463 N ARG A 34 1.199 -3.360 -1.260 1.00 0.00 N ATOM 464 CA ARG A 34 2.082 -4.322 -1.896 1.00 0.00 C ATOM 465 C ARG A 34 1.896 -5.667 -1.215 1.00 0.00 C ATOM 466 O ARG A 34 1.369 -5.720 -0.103 1.00 0.00 O ATOM 467 CB ARG A 34 3.547 -3.875 -1.767 1.00 0.00 C ATOM 468 CG ARG A 34 3.812 -2.469 -2.276 1.00 0.00 C ATOM 469 CD ARG A 34 3.797 -2.394 -3.791 1.00 0.00 C ATOM 470 NE ARG A 34 3.798 -1.008 -4.259 1.00 0.00 N ATOM 471 CZ ARG A 34 4.062 -0.633 -5.507 1.00 0.00 C ATOM 472 NH1 ARG A 34 4.423 -1.533 -6.419 1.00 0.00 N ATOM 473 NH2 ARG A 34 3.973 0.648 -5.838 1.00 0.00 N ATOM 0 H ARG A 34 1.221 -3.395 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 34 1.839 -4.396 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.843 -3.933 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.179 -4.574 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.059 -1.791 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.779 -2.127 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.667 -2.915 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.915 -2.908 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 34 3.581 -0.278 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.499 -2.517 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.624 -1.238 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.704 1.338 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.174 0.943 -6.793 1.00 0.00 H new ATOM 487 N PRO A 35 2.311 -6.769 -1.859 1.00 0.00 N ATOM 488 CA PRO A 35 2.180 -8.109 -1.286 1.00 0.00 C ATOM 489 C PRO A 35 2.753 -8.183 0.128 1.00 0.00 C ATOM 490 O PRO A 35 3.649 -7.417 0.487 1.00 0.00 O ATOM 491 CB PRO A 35 2.991 -8.995 -2.229 1.00 0.00 C ATOM 492 CG PRO A 35 3.035 -8.259 -3.524 1.00 0.00 C ATOM 493 CD PRO A 35 2.935 -6.794 -3.195 1.00 0.00 C ATOM 0 HA PRO A 35 1.136 -8.410 -1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.995 -9.167 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.524 -9.973 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.960 -8.473 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.214 -8.567 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.916 -6.319 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.330 -6.261 -3.928 1.00 0.00 H new ATOM 501 N LYS A 36 2.238 -9.100 0.928 1.00 0.00 N ATOM 502 CA LYS A 36 2.709 -9.251 2.293 1.00 0.00 C ATOM 503 C LYS A 36 4.037 -9.986 2.286 1.00 0.00 C ATOM 504 O LYS A 36 4.092 -11.197 2.074 1.00 0.00 O ATOM 505 CB LYS A 36 1.677 -10.012 3.126 1.00 0.00 C ATOM 506 CG LYS A 36 2.094 -10.242 4.570 1.00 0.00 C ATOM 507 CD LYS A 36 1.034 -11.015 5.337 1.00 0.00 C ATOM 508 CE LYS A 36 1.499 -11.356 6.743 1.00 0.00 C ATOM 509 NZ LYS A 36 2.699 -12.239 6.733 1.00 0.00 N ATOM 0 H LYS A 36 1.498 -9.748 0.658 1.00 0.00 H new ATOM 0 HA LYS A 36 2.848 -8.267 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.737 -9.460 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.486 -10.977 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.036 -10.790 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.270 -9.283 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.119 -10.425 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.792 -11.932 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.729 -10.437 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.690 -11.848 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.814 -12.679 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.578 -12.981 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.543 -11.675 6.510 1.00 0.00 H new ATOM 523 N GLY A 37 5.101 -9.225 2.482 1.00 0.00 N ATOM 524 CA GLY A 37 6.434 -9.786 2.451 1.00 0.00 C ATOM 525 C GLY A 37 7.046 -9.608 1.080 1.00 0.00 C ATOM 526 O GLY A 37 7.594 -10.546 0.504 1.00 0.00 O ATOM 0 H GLY A 37 5.064 -8.222 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.058 -9.300 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.396 -10.845 2.705 1.00 0.00 H new ATOM 530 N TRP A 38 6.916 -8.390 0.561 1.00 0.00 N ATOM 531 CA TRP A 38 7.427 -8.039 -0.755 1.00 0.00 C ATOM 532 C TRP A 38 8.956 -7.993 -0.750 1.00 0.00 C ATOM 533 O TRP A 38 9.553 -8.047 -1.846 1.00 0.00 O ATOM 534 CB TRP A 38 6.849 -6.681 -1.193 1.00 0.00 C ATOM 535 CG TRP A 38 7.413 -5.506 -0.443 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.550 -4.817 -0.752 1.00 0.00 C ATOM 537 CD2 TRP A 38 6.887 -4.895 0.745 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.763 -3.818 0.165 1.00 0.00 N ATOM 539 CE2 TRP A 38 7.758 -3.846 1.095 1.00 0.00 C ATOM 540 CE3 TRP A 38 5.765 -5.131 1.545 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.544 -3.038 2.209 1.00 0.00 C ATOM 542 CZ3 TRP A 38 5.553 -4.329 2.651 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.439 -3.294 2.974 1.00 0.00 C ATOM 544 OXT TRP A 38 9.540 -7.883 0.351 1.00 0.00 O ATOM 0 H TRP A 38 6.453 -7.620 1.044 1.00 0.00 H new ATOM 0 HA TRP A 38 7.116 -8.804 -1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.038 -6.544 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.767 -6.698 -1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.190 -5.027 -1.596 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.543 -3.161 0.155 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.076 -5.926 1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.225 -2.239 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.690 -4.504 3.276 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.246 -2.685 3.845 1.00 0.00 H new TER 555 TRP A 38