USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 243 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 ASP N :NH3+ -115:sc= 0.0975 (180deg=-0.0119) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0181) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -174:sc= 1.62 USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0364) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0451 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.203 11.518 -3.021 1.00 0.00 N ATOM 2 CA ASP A 1 14.482 10.406 -2.331 1.00 0.00 C ATOM 3 C ASP A 1 13.279 9.945 -3.167 1.00 0.00 C ATOM 4 O ASP A 1 12.850 10.623 -4.082 1.00 0.00 O ATOM 5 CB ASP A 1 14.026 10.997 -0.987 1.00 0.00 C ATOM 6 CG ASP A 1 12.811 11.911 -1.196 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.015 13.073 -1.510 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.700 11.434 -1.035 1.00 0.00 O ATOM 0 H1 ASP A 1 16.158 11.202 -3.285 1.00 0.00 H new ATOM 0 H2 ASP A 1 14.680 11.792 -3.877 1.00 0.00 H new ATOM 0 H3 ASP A 1 15.273 12.335 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 1 15.114 9.529 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.771 10.194 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.841 11.561 -0.534 1.00 0.00 H new ATOM 15 N GLY A 2 12.731 8.796 -2.855 1.00 0.00 N ATOM 16 CA GLY A 2 11.558 8.288 -3.628 1.00 0.00 C ATOM 17 C GLY A 2 11.037 6.998 -2.988 1.00 0.00 C ATOM 18 O GLY A 2 11.572 5.928 -3.208 1.00 0.00 O ATOM 0 H GLY A 2 13.046 8.189 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.769 9.040 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.845 8.102 -4.663 1.00 0.00 H new ATOM 22 N GLU A 3 9.995 7.093 -2.197 1.00 0.00 N ATOM 23 CA GLU A 3 9.432 5.872 -1.541 1.00 0.00 C ATOM 24 C GLU A 3 7.901 5.907 -1.581 1.00 0.00 C ATOM 25 O GLU A 3 7.240 6.129 -0.582 1.00 0.00 O ATOM 26 CB GLU A 3 9.950 5.915 -0.102 1.00 0.00 C ATOM 27 CG GLU A 3 10.914 4.752 0.107 1.00 0.00 C ATOM 28 CD GLU A 3 11.731 4.981 1.380 1.00 0.00 C ATOM 29 OE1 GLU A 3 12.731 5.677 1.305 1.00 0.00 O ATOM 30 OE2 GLU A 3 11.343 4.455 2.412 1.00 0.00 O ATOM 0 H GLU A 3 9.511 7.963 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 3 9.733 4.954 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.454 6.862 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.119 5.848 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.359 3.817 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.579 4.660 -0.752 1.00 0.00 H new ATOM 37 N CYS A 4 7.340 5.687 -2.738 1.00 0.00 N ATOM 38 CA CYS A 4 5.850 5.703 -2.875 1.00 0.00 C ATOM 39 C CYS A 4 5.404 4.779 -4.013 1.00 0.00 C ATOM 40 O CYS A 4 6.149 4.497 -4.931 1.00 0.00 O ATOM 41 CB CYS A 4 5.494 7.163 -3.181 1.00 0.00 C ATOM 42 SG CYS A 4 4.014 7.251 -4.223 1.00 0.00 S ATOM 0 H CYS A 4 7.849 5.496 -3.601 1.00 0.00 H new ATOM 0 HA CYS A 4 5.350 5.345 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.323 7.704 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.330 7.649 -3.684 1.00 0.00 H new ATOM 47 N GLY A 5 4.181 4.320 -3.954 1.00 0.00 N ATOM 48 CA GLY A 5 3.650 3.428 -5.019 1.00 0.00 C ATOM 49 C GLY A 5 2.542 4.166 -5.773 1.00 0.00 C ATOM 50 O GLY A 5 2.803 5.072 -6.542 1.00 0.00 O ATOM 0 H GLY A 5 3.523 4.529 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.448 3.143 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.261 2.508 -4.582 1.00 0.00 H new ATOM 54 N GLY A 6 1.309 3.789 -5.550 1.00 0.00 N ATOM 55 CA GLY A 6 0.171 4.468 -6.238 1.00 0.00 C ATOM 56 C GLY A 6 -1.093 4.362 -5.372 1.00 0.00 C ATOM 57 O GLY A 6 -1.020 4.104 -4.184 1.00 0.00 O ATOM 0 H GLY A 6 1.041 3.035 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.414 5.515 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.004 4.010 -7.212 1.00 0.00 H new ATOM 61 N PHE A 7 -2.250 4.557 -5.958 1.00 0.00 N ATOM 62 CA PHE A 7 -3.523 4.466 -5.169 1.00 0.00 C ATOM 63 C PHE A 7 -3.982 3.005 -5.019 1.00 0.00 C ATOM 64 O PHE A 7 -4.758 2.686 -4.141 1.00 0.00 O ATOM 65 CB PHE A 7 -4.556 5.297 -5.952 1.00 0.00 C ATOM 66 CG PHE A 7 -4.970 4.582 -7.223 1.00 0.00 C ATOM 67 CD1 PHE A 7 -6.053 3.693 -7.206 1.00 0.00 C ATOM 68 CD2 PHE A 7 -4.276 4.812 -8.418 1.00 0.00 C ATOM 69 CE1 PHE A 7 -6.439 3.036 -8.381 1.00 0.00 C ATOM 70 CE2 PHE A 7 -4.663 4.155 -9.592 1.00 0.00 C ATOM 71 CZ PHE A 7 -5.744 3.268 -9.573 1.00 0.00 C ATOM 0 H PHE A 7 -2.370 4.775 -6.947 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.392 4.844 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.432 5.477 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.134 6.271 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.590 3.514 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.441 5.497 -8.434 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.273 2.350 -8.367 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.127 4.333 -10.512 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.043 2.762 -10.479 1.00 0.00 H new ATOM 81 N TRP A 8 -3.508 2.120 -5.864 1.00 0.00 N ATOM 82 CA TRP A 8 -3.915 0.683 -5.759 1.00 0.00 C ATOM 83 C TRP A 8 -2.824 -0.207 -6.365 1.00 0.00 C ATOM 84 O TRP A 8 -2.979 -0.760 -7.440 1.00 0.00 O ATOM 85 CB TRP A 8 -5.226 0.579 -6.550 1.00 0.00 C ATOM 86 CG TRP A 8 -5.801 -0.798 -6.407 1.00 0.00 C ATOM 87 CD1 TRP A 8 -6.046 -1.424 -5.231 1.00 0.00 C ATOM 88 CD2 TRP A 8 -6.206 -1.723 -7.455 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.575 -2.675 -5.495 1.00 0.00 N ATOM 90 CE2 TRP A 8 -6.693 -2.906 -6.850 1.00 0.00 C ATOM 91 CE3 TRP A 8 -6.198 -1.650 -8.859 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -7.155 -3.979 -7.614 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -6.662 -2.728 -9.630 1.00 0.00 C ATOM 94 CH2 TRP A 8 -7.139 -3.890 -9.008 1.00 0.00 C ATOM 0 H TRP A 8 -2.858 2.331 -6.621 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.051 0.356 -4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.939 1.320 -6.188 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.044 0.799 -7.602 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.859 -1.014 -4.249 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.845 -3.345 -4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.833 -0.759 -9.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.522 -4.872 -7.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -6.651 -2.661 -10.708 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.494 -4.716 -9.606 1.00 0.00 H new ATOM 105 N TRP A 9 -1.713 -0.338 -5.682 1.00 0.00 N ATOM 106 CA TRP A 9 -0.592 -1.181 -6.206 1.00 0.00 C ATOM 107 C TRP A 9 -0.534 -2.512 -5.449 1.00 0.00 C ATOM 108 O TRP A 9 -1.192 -2.689 -4.445 1.00 0.00 O ATOM 109 CB TRP A 9 0.679 -0.359 -5.948 1.00 0.00 C ATOM 110 CG TRP A 9 0.810 0.729 -6.971 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.217 1.331 -7.618 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.025 1.358 -7.466 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.291 2.287 -8.475 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.666 2.345 -8.414 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.392 1.175 -7.187 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.625 3.121 -9.060 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.360 1.955 -7.838 1.00 0.00 C ATOM 118 CH2 TRP A 9 3.977 2.927 -8.771 1.00 0.00 C ATOM 0 H TRP A 9 -1.533 0.104 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.714 -1.421 -7.262 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.644 0.074 -4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.554 -1.008 -5.983 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.264 1.100 -7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.281 2.877 -9.079 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.698 0.430 -6.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.325 3.868 -9.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.407 1.805 -7.618 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.727 3.526 -9.266 1.00 0.00 H new ATOM 129 N LYS A 10 0.246 -3.451 -5.923 1.00 0.00 N ATOM 130 CA LYS A 10 0.339 -4.772 -5.225 1.00 0.00 C ATOM 131 C LYS A 10 1.474 -4.761 -4.202 1.00 0.00 C ATOM 132 O LYS A 10 2.563 -4.286 -4.475 1.00 0.00 O ATOM 133 CB LYS A 10 0.644 -5.794 -6.320 1.00 0.00 C ATOM 134 CG LYS A 10 -0.657 -6.448 -6.788 1.00 0.00 C ATOM 135 CD LYS A 10 -0.634 -6.596 -8.313 1.00 0.00 C ATOM 136 CE LYS A 10 -1.810 -7.468 -8.766 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.997 -6.566 -8.752 1.00 0.00 N ATOM 0 H LYS A 10 0.821 -3.362 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.581 -5.003 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.140 -5.306 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.329 -6.553 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.775 -7.425 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.511 -5.843 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.694 -5.615 -8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.307 -7.045 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.637 -7.875 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.952 -8.316 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.783 -7.035 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.756 -5.683 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.281 -6.350 -9.729 1.00 0.00 H new ATOM 151 N CYS A 11 1.236 -5.295 -3.034 1.00 0.00 N ATOM 152 CA CYS A 11 2.307 -5.333 -1.999 1.00 0.00 C ATOM 153 C CYS A 11 2.118 -6.545 -1.077 1.00 0.00 C ATOM 154 O CYS A 11 1.026 -7.067 -0.940 1.00 0.00 O ATOM 155 CB CYS A 11 2.169 -4.022 -1.214 1.00 0.00 C ATOM 156 SG CYS A 11 0.577 -3.980 -0.358 1.00 0.00 S ATOM 0 H CYS A 11 0.346 -5.706 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 11 3.298 -5.429 -2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.982 -3.933 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.250 -3.172 -1.892 1.00 0.00 H new ATOM 161 N GLY A 12 3.174 -6.990 -0.442 1.00 0.00 N ATOM 162 CA GLY A 12 3.061 -8.164 0.475 1.00 0.00 C ATOM 163 C GLY A 12 2.718 -7.673 1.883 1.00 0.00 C ATOM 164 O GLY A 12 1.682 -7.073 2.102 1.00 0.00 O ATOM 0 H GLY A 12 4.109 -6.590 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.290 -8.847 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.998 -8.721 0.489 1.00 0.00 H new ATOM 168 N ARG A 13 3.582 -7.914 2.837 1.00 0.00 N ATOM 169 CA ARG A 13 3.314 -7.450 4.233 1.00 0.00 C ATOM 170 C ARG A 13 3.895 -6.042 4.437 1.00 0.00 C ATOM 171 O ARG A 13 4.622 -5.788 5.381 1.00 0.00 O ATOM 172 CB ARG A 13 4.018 -8.472 5.134 1.00 0.00 C ATOM 173 CG ARG A 13 3.397 -8.439 6.534 1.00 0.00 C ATOM 174 CD ARG A 13 2.636 -9.742 6.789 1.00 0.00 C ATOM 175 NE ARG A 13 2.557 -9.862 8.272 1.00 0.00 N ATOM 176 CZ ARG A 13 2.940 -10.964 8.861 1.00 0.00 C ATOM 177 NH1 ARG A 13 4.205 -11.302 8.857 1.00 0.00 N ATOM 178 NH2 ARG A 13 2.059 -11.730 9.450 1.00 0.00 N ATOM 0 H ARG A 13 4.463 -8.413 2.709 1.00 0.00 H new ATOM 0 HA ARG A 13 2.249 -7.387 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.926 -9.471 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.083 -8.247 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.176 -8.308 7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.722 -7.588 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.642 -9.712 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.156 -10.594 6.352 1.00 0.00 H new ATOM 0 HE ARG A 13 2.204 -9.083 8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.891 -10.705 8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.505 -12.162 9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.073 -11.467 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.357 -12.590 9.910 1.00 0.00 H new ATOM 192 N GLY A 14 3.582 -5.128 3.552 1.00 0.00 N ATOM 193 CA GLY A 14 4.114 -3.738 3.674 1.00 0.00 C ATOM 194 C GLY A 14 5.554 -3.690 3.157 1.00 0.00 C ATOM 195 O GLY A 14 6.395 -3.005 3.709 1.00 0.00 O ATOM 0 H GLY A 14 2.977 -5.287 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.490 -3.048 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.080 -3.415 4.715 1.00 0.00 H new ATOM 199 N LYS A 15 5.847 -4.414 2.101 1.00 0.00 N ATOM 200 CA LYS A 15 7.239 -4.413 1.549 1.00 0.00 C ATOM 201 C LYS A 15 7.502 -3.132 0.739 1.00 0.00 C ATOM 202 O LYS A 15 8.393 -2.372 1.072 1.00 0.00 O ATOM 203 CB LYS A 15 7.329 -5.661 0.661 1.00 0.00 C ATOM 204 CG LYS A 15 8.177 -6.728 1.359 1.00 0.00 C ATOM 205 CD LYS A 15 9.571 -6.770 0.728 1.00 0.00 C ATOM 206 CE LYS A 15 10.618 -6.342 1.761 1.00 0.00 C ATOM 207 NZ LYS A 15 11.897 -6.249 1.002 1.00 0.00 N ATOM 0 H LYS A 15 5.183 -5.004 1.599 1.00 0.00 H new ATOM 0 HA LYS A 15 7.990 -4.433 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.331 -6.050 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.770 -5.404 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.255 -6.506 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.697 -7.703 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.789 -7.776 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.609 -6.109 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.357 -5.385 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.692 -7.068 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.662 -5.960 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.124 -7.176 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.799 -5.546 0.242 1.00 0.00 H new ATOM 221 N PRO A 16 6.720 -2.927 -0.298 1.00 0.00 N ATOM 222 CA PRO A 16 6.884 -1.721 -1.148 1.00 0.00 C ATOM 223 C PRO A 16 6.330 -0.482 -0.427 1.00 0.00 C ATOM 224 O PRO A 16 5.231 -0.513 0.096 1.00 0.00 O ATOM 225 CB PRO A 16 6.055 -2.040 -2.389 1.00 0.00 C ATOM 226 CG PRO A 16 5.036 -3.034 -1.932 1.00 0.00 C ATOM 227 CD PRO A 16 5.629 -3.786 -0.769 1.00 0.00 C ATOM 0 HA PRO A 16 7.925 -1.500 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.580 -1.143 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.677 -2.451 -3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.116 -2.531 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.778 -3.718 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.890 -3.955 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.998 -4.765 -1.075 1.00 0.00 H new ATOM 235 N PRO A 17 7.113 0.572 -0.421 1.00 0.00 N ATOM 236 CA PRO A 17 6.689 1.829 0.244 1.00 0.00 C ATOM 237 C PRO A 17 5.625 2.551 -0.592 1.00 0.00 C ATOM 238 O PRO A 17 5.862 2.923 -1.725 1.00 0.00 O ATOM 239 CB PRO A 17 7.975 2.646 0.320 1.00 0.00 C ATOM 240 CG PRO A 17 8.836 2.128 -0.789 1.00 0.00 C ATOM 241 CD PRO A 17 8.448 0.691 -1.025 1.00 0.00 C ATOM 0 HA PRO A 17 6.238 1.664 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.773 3.710 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.463 2.523 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.693 2.718 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.891 2.203 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.426 0.454 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.157 0.006 -0.561 1.00 0.00 H new ATOM 249 N CYS A 18 4.456 2.749 -0.035 1.00 0.00 N ATOM 250 CA CYS A 18 3.365 3.451 -0.782 1.00 0.00 C ATOM 251 C CYS A 18 3.449 4.966 -0.539 1.00 0.00 C ATOM 252 O CYS A 18 4.210 5.425 0.293 1.00 0.00 O ATOM 253 CB CYS A 18 2.058 2.885 -0.214 1.00 0.00 C ATOM 254 SG CYS A 18 1.295 1.778 -1.428 1.00 0.00 S ATOM 0 H CYS A 18 4.209 2.453 0.909 1.00 0.00 H new ATOM 0 HA CYS A 18 3.437 3.296 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.256 2.344 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.375 3.698 0.032 1.00 0.00 H new ATOM 259 N CYS A 19 2.678 5.741 -1.258 1.00 0.00 N ATOM 260 CA CYS A 19 2.714 7.226 -1.068 1.00 0.00 C ATOM 261 C CYS A 19 2.140 7.599 0.302 1.00 0.00 C ATOM 262 O CYS A 19 1.279 6.917 0.826 1.00 0.00 O ATOM 263 CB CYS A 19 1.844 7.801 -2.190 1.00 0.00 C ATOM 264 SG CYS A 19 2.891 8.695 -3.366 1.00 0.00 S ATOM 0 H CYS A 19 2.025 5.412 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 19 3.730 7.618 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.310 6.998 -2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.091 8.471 -1.774 1.00 0.00 H new ATOM 269 N LYS A 20 2.620 8.672 0.886 1.00 0.00 N ATOM 270 CA LYS A 20 2.118 9.101 2.226 1.00 0.00 C ATOM 271 C LYS A 20 0.588 9.217 2.212 1.00 0.00 C ATOM 272 O LYS A 20 0.027 10.104 1.595 1.00 0.00 O ATOM 273 CB LYS A 20 2.766 10.468 2.478 1.00 0.00 C ATOM 274 CG LYS A 20 2.483 10.916 3.916 1.00 0.00 C ATOM 275 CD LYS A 20 3.759 10.798 4.754 1.00 0.00 C ATOM 276 CE LYS A 20 4.419 12.176 4.881 1.00 0.00 C ATOM 277 NZ LYS A 20 5.246 12.101 6.120 1.00 0.00 N ATOM 0 H LYS A 20 3.343 9.271 0.487 1.00 0.00 H new ATOM 0 HA LYS A 20 2.369 8.384 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.841 10.408 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.374 11.202 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.126 11.946 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.694 10.302 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.522 10.404 5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.449 10.095 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.035 12.400 4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.671 12.966 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.728 13.010 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.633 11.894 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.954 11.346 6.019 1.00 0.00 H new ATOM 291 N GLY A 21 -0.086 8.314 2.880 1.00 0.00 N ATOM 292 CA GLY A 21 -1.579 8.349 2.908 1.00 0.00 C ATOM 293 C GLY A 21 -2.132 6.958 2.577 1.00 0.00 C ATOM 294 O GLY A 21 -3.104 6.518 3.160 1.00 0.00 O ATOM 0 H GLY A 21 0.337 7.551 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.927 8.665 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.949 9.079 2.189 1.00 0.00 H new ATOM 298 N TYR A 22 -1.522 6.265 1.644 1.00 0.00 N ATOM 299 CA TYR A 22 -2.012 4.900 1.273 1.00 0.00 C ATOM 300 C TYR A 22 -1.301 3.838 2.123 1.00 0.00 C ATOM 301 O TYR A 22 -0.122 3.946 2.405 1.00 0.00 O ATOM 302 CB TYR A 22 -1.662 4.711 -0.213 1.00 0.00 C ATOM 303 CG TYR A 22 -1.994 5.957 -1.013 1.00 0.00 C ATOM 304 CD1 TYR A 22 -3.159 6.688 -0.738 1.00 0.00 C ATOM 305 CD2 TYR A 22 -1.131 6.380 -2.029 1.00 0.00 C ATOM 306 CE1 TYR A 22 -3.457 7.838 -1.481 1.00 0.00 C ATOM 307 CE2 TYR A 22 -1.429 7.529 -2.772 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.590 8.258 -2.497 1.00 0.00 C ATOM 309 OH TYR A 22 -2.884 9.392 -3.228 1.00 0.00 O ATOM 0 H TYR A 22 -0.706 6.587 1.124 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.083 4.798 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.601 4.482 -0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.212 3.860 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.827 6.364 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.233 5.819 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.355 8.400 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.762 7.852 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.180 9.545 -3.892 1.00 0.00 H new ATOM 319 N ALA A 23 -2.012 2.814 2.528 1.00 0.00 N ATOM 320 CA ALA A 23 -1.389 1.736 3.356 1.00 0.00 C ATOM 321 C ALA A 23 -1.462 0.393 2.620 1.00 0.00 C ATOM 322 O ALA A 23 -2.361 0.154 1.836 1.00 0.00 O ATOM 323 CB ALA A 23 -2.222 1.689 4.639 1.00 0.00 C ATOM 0 H ALA A 23 -3.001 2.679 2.319 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.336 1.930 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.826 0.919 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.176 2.657 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.258 1.458 4.392 1.00 0.00 H new ATOM 329 N CYS A 24 -0.521 -0.484 2.868 1.00 0.00 N ATOM 330 CA CYS A 24 -0.532 -1.814 2.182 1.00 0.00 C ATOM 331 C CYS A 24 -1.334 -2.827 3.004 1.00 0.00 C ATOM 332 O CYS A 24 -1.567 -2.642 4.184 1.00 0.00 O ATOM 333 CB CYS A 24 0.941 -2.229 2.093 1.00 0.00 C ATOM 334 SG CYS A 24 1.070 -3.969 1.601 1.00 0.00 S ATOM 0 H CYS A 24 0.254 -0.337 3.515 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.999 -1.768 1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.461 -1.599 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.428 -2.078 3.056 1.00 0.00 H new ATOM 339 N SER A 25 -1.764 -3.893 2.380 1.00 0.00 N ATOM 340 CA SER A 25 -2.561 -4.923 3.108 1.00 0.00 C ATOM 341 C SER A 25 -2.071 -6.334 2.771 1.00 0.00 C ATOM 342 O SER A 25 -2.335 -6.852 1.703 1.00 0.00 O ATOM 343 CB SER A 25 -3.999 -4.725 2.626 1.00 0.00 C ATOM 344 OG SER A 25 -4.501 -3.498 3.140 1.00 0.00 O ATOM 0 H SER A 25 -1.596 -4.094 1.394 1.00 0.00 H new ATOM 0 HA SER A 25 -2.470 -4.816 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.032 -4.717 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.624 -5.554 2.958 1.00 0.00 H new ATOM 0 HG SER A 25 -5.450 -3.411 2.910 1.00 0.00 H new ATOM 350 N LYS A 26 -1.367 -6.962 3.680 1.00 0.00 N ATOM 351 CA LYS A 26 -0.872 -8.350 3.423 1.00 0.00 C ATOM 352 C LYS A 26 -2.058 -9.323 3.324 1.00 0.00 C ATOM 353 O LYS A 26 -2.013 -10.300 2.600 1.00 0.00 O ATOM 354 CB LYS A 26 0.042 -8.687 4.616 1.00 0.00 C ATOM 355 CG LYS A 26 -0.767 -9.191 5.821 1.00 0.00 C ATOM 356 CD LYS A 26 -1.206 -8.005 6.685 1.00 0.00 C ATOM 357 CE LYS A 26 -1.918 -8.517 7.940 1.00 0.00 C ATOM 358 NZ LYS A 26 -0.827 -8.841 8.906 1.00 0.00 N ATOM 0 H LYS A 26 -1.114 -6.574 4.589 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.329 -8.431 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.765 -9.447 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.610 -7.802 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.640 -9.745 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.164 -9.880 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.339 -7.406 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.872 -7.355 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.592 -7.762 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.522 -9.397 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.091 -9.682 9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.053 -9.031 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.682 -8.036 9.549 1.00 0.00 H new ATOM 372 N THR A 27 -3.118 -9.049 4.047 1.00 0.00 N ATOM 373 CA THR A 27 -4.322 -9.938 4.006 1.00 0.00 C ATOM 374 C THR A 27 -4.983 -9.869 2.625 1.00 0.00 C ATOM 375 O THR A 27 -5.431 -10.867 2.092 1.00 0.00 O ATOM 376 CB THR A 27 -5.273 -9.389 5.081 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.596 -9.340 6.330 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.498 -10.299 5.201 1.00 0.00 C ATOM 0 H THR A 27 -3.201 -8.243 4.667 1.00 0.00 H new ATOM 0 HA THR A 27 -4.064 -10.981 4.188 1.00 0.00 H new ATOM 0 HB THR A 27 -5.595 -8.386 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.201 -8.988 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.170 -9.906 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.019 -10.337 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.179 -11.303 5.480 1.00 0.00 H new ATOM 386 N TRP A 28 -5.045 -8.698 2.048 1.00 0.00 N ATOM 387 CA TRP A 28 -5.678 -8.551 0.700 1.00 0.00 C ATOM 388 C TRP A 28 -4.640 -8.820 -0.394 1.00 0.00 C ATOM 389 O TRP A 28 -4.879 -9.579 -1.313 1.00 0.00 O ATOM 390 CB TRP A 28 -6.164 -7.098 0.632 1.00 0.00 C ATOM 391 CG TRP A 28 -7.077 -6.794 1.783 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.698 -7.714 2.560 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.479 -5.491 2.295 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.447 -7.056 3.518 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.348 -5.686 3.393 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.174 -4.173 1.915 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.895 -4.610 4.090 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.724 -3.086 2.613 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.584 -3.306 3.699 1.00 0.00 C ATOM 0 H TRP A 28 -4.684 -7.834 2.452 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.497 -9.255 0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.310 -6.422 0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.687 -6.927 -0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.621 -8.786 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.005 -7.527 4.231 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.512 -3.995 1.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.555 -4.784 4.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.484 -2.077 2.313 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.006 -2.467 4.233 1.00 0.00 H new ATOM 410 N GLY A 29 -3.486 -8.207 -0.291 1.00 0.00 N ATOM 411 CA GLY A 29 -2.419 -8.423 -1.310 1.00 0.00 C ATOM 412 C GLY A 29 -2.139 -7.129 -2.092 1.00 0.00 C ATOM 413 O GLY A 29 -1.500 -7.164 -3.127 1.00 0.00 O ATOM 0 H GLY A 29 -3.239 -7.563 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.506 -8.762 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.723 -9.211 -1.999 1.00 0.00 H new ATOM 417 N TRP A 30 -2.594 -5.989 -1.616 1.00 0.00 N ATOM 418 CA TRP A 30 -2.321 -4.718 -2.361 1.00 0.00 C ATOM 419 C TRP A 30 -2.271 -3.517 -1.404 1.00 0.00 C ATOM 420 O TRP A 30 -2.493 -3.646 -0.216 1.00 0.00 O ATOM 421 CB TRP A 30 -3.463 -4.584 -3.386 1.00 0.00 C ATOM 422 CG TRP A 30 -4.731 -4.147 -2.723 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.965 -2.908 -2.235 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.943 -4.917 -2.483 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.236 -2.872 -1.698 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.882 -4.084 -1.828 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.316 -6.244 -2.763 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -8.144 -4.551 -1.466 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.586 -6.716 -2.399 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.500 -5.870 -1.752 1.00 0.00 C ATOM 0 H TRP A 30 -3.134 -5.886 -0.757 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.350 -4.740 -2.856 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.184 -3.864 -4.155 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.621 -5.539 -3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.271 -2.081 -2.261 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.648 -2.049 -1.258 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.621 -6.903 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.843 -3.896 -0.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.862 -7.737 -2.618 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.477 -6.239 -1.476 1.00 0.00 H new ATOM 441 N CYS A 31 -1.986 -2.347 -1.924 1.00 0.00 N ATOM 442 CA CYS A 31 -1.920 -1.122 -1.072 1.00 0.00 C ATOM 443 C CYS A 31 -2.835 -0.035 -1.638 1.00 0.00 C ATOM 444 O CYS A 31 -2.793 0.275 -2.815 1.00 0.00 O ATOM 445 CB CYS A 31 -0.453 -0.673 -1.126 1.00 0.00 C ATOM 446 SG CYS A 31 -0.302 1.005 -0.461 1.00 0.00 S ATOM 0 H CYS A 31 -1.795 -2.189 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.248 -1.314 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.169 -1.359 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.092 -0.701 -2.154 1.00 0.00 H new ATOM 451 N ALA A 32 -3.659 0.548 -0.804 1.00 0.00 N ATOM 452 CA ALA A 32 -4.584 1.624 -1.278 1.00 0.00 C ATOM 453 C ALA A 32 -4.822 2.647 -0.161 1.00 0.00 C ATOM 454 O ALA A 32 -4.188 2.603 0.875 1.00 0.00 O ATOM 455 CB ALA A 32 -5.884 0.900 -1.638 1.00 0.00 C ATOM 0 H ALA A 32 -3.731 0.325 0.189 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.179 2.174 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.616 1.624 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.687 0.166 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.275 0.394 -0.755 1.00 0.00 H new ATOM 461 N VAL A 33 -5.732 3.568 -0.365 1.00 0.00 N ATOM 462 CA VAL A 33 -6.009 4.597 0.690 1.00 0.00 C ATOM 463 C VAL A 33 -6.784 3.963 1.851 1.00 0.00 C ATOM 464 O VAL A 33 -7.850 3.406 1.667 1.00 0.00 O ATOM 465 CB VAL A 33 -6.853 5.684 0.009 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.920 6.913 0.918 1.00 0.00 C ATOM 467 CG2 VAL A 33 -6.217 6.085 -1.330 1.00 0.00 C ATOM 0 H VAL A 33 -6.294 3.653 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.089 5.011 1.102 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.855 5.296 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.518 7.688 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.377 6.638 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.913 7.290 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.824 6.856 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.212 6.470 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.163 5.214 -1.983 1.00 0.00 H new ATOM 477 N GLU A 34 -6.251 4.044 3.045 1.00 0.00 N ATOM 478 CA GLU A 34 -6.949 3.446 4.226 1.00 0.00 C ATOM 479 C GLU A 34 -7.976 4.427 4.803 1.00 0.00 C ATOM 480 O GLU A 34 -7.993 5.597 4.463 1.00 0.00 O ATOM 481 CB GLU A 34 -5.841 3.168 5.247 1.00 0.00 C ATOM 482 CG GLU A 34 -5.638 1.657 5.388 1.00 0.00 C ATOM 483 CD GLU A 34 -6.721 1.078 6.302 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.507 1.059 7.503 1.00 0.00 O ATOM 485 OE2 GLU A 34 -7.747 0.666 5.786 1.00 0.00 O ATOM 0 H GLU A 34 -5.362 4.499 3.253 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.496 2.542 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.912 3.641 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.105 3.601 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.681 1.181 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.650 1.449 5.800 1.00 0.00 H new ATOM 492 N ALA A 35 -8.835 3.954 5.674 1.00 0.00 N ATOM 493 CA ALA A 35 -9.868 4.848 6.281 1.00 0.00 C ATOM 494 C ALA A 35 -9.590 5.038 7.779 1.00 0.00 C ATOM 495 O ALA A 35 -9.393 4.075 8.497 1.00 0.00 O ATOM 496 CB ALA A 35 -11.196 4.120 6.070 1.00 0.00 C ATOM 0 H ALA A 35 -8.864 2.985 5.991 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.872 5.840 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.007 4.714 6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.366 3.976 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.162 3.150 6.566 1.00 0.00 H new ATOM 502 N PRO A 36 -9.587 6.282 8.204 1.00 0.00 N ATOM 503 CA PRO A 36 -9.334 6.599 9.634 1.00 0.00 C ATOM 504 C PRO A 36 -10.542 6.210 10.499 1.00 0.00 C ATOM 505 O PRO A 36 -11.653 6.569 10.136 1.00 0.00 O ATOM 506 CB PRO A 36 -9.121 8.111 9.636 1.00 0.00 C ATOM 507 CG PRO A 36 -9.841 8.607 8.422 1.00 0.00 C ATOM 508 CD PRO A 36 -9.816 7.494 7.406 1.00 0.00 C ATOM 0 HA PRO A 36 -8.485 6.055 10.047 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.520 8.564 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.061 8.360 9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.867 8.881 8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.358 9.501 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.755 7.437 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.024 7.643 6.672 1.00 0.00 H new TER 516 PRO A 36