USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=5 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+ 147:sc= 0.00486 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.0749 (180deg=-0.453) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 110:sc= 0.78 USER MOD Single : A 25 SER OG : rot 170:sc= 1.15 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.443 6.068 3.126 1.00 0.00 N ATOM 2 CA ASP A 1 13.340 5.614 2.225 1.00 0.00 C ATOM 3 C ASP A 1 12.275 6.707 2.091 1.00 0.00 C ATOM 4 O ASP A 1 11.920 7.364 3.053 1.00 0.00 O ATOM 5 CB ASP A 1 12.748 4.373 2.899 1.00 0.00 C ATOM 6 CG ASP A 1 13.321 3.114 2.245 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.754 2.671 1.258 1.00 0.00 O ATOM 8 OD2 ASP A 1 14.317 2.614 2.742 1.00 0.00 O ATOM 0 H1 ASP A 1 14.823 5.252 3.648 1.00 0.00 H new ATOM 0 H2 ASP A 1 15.200 6.499 2.558 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.074 6.769 3.800 1.00 0.00 H new ATOM 0 HA ASP A 1 13.702 5.397 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 1 12.979 4.380 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.662 4.380 2.809 1.00 0.00 H new ATOM 15 N GLY A 2 11.763 6.902 0.903 1.00 0.00 N ATOM 16 CA GLY A 2 10.719 7.947 0.695 1.00 0.00 C ATOM 17 C GLY A 2 10.215 7.889 -0.749 1.00 0.00 C ATOM 18 O GLY A 2 10.436 8.797 -1.528 1.00 0.00 O ATOM 0 H GLY A 2 12.024 6.380 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.891 7.791 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.130 8.934 0.908 1.00 0.00 H new ATOM 22 N GLU A 3 9.540 6.825 -1.108 1.00 0.00 N ATOM 23 CA GLU A 3 9.020 6.700 -2.504 1.00 0.00 C ATOM 24 C GLU A 3 7.504 6.464 -2.490 1.00 0.00 C ATOM 25 O GLU A 3 6.900 6.307 -1.446 1.00 0.00 O ATOM 26 CB GLU A 3 9.750 5.490 -3.093 1.00 0.00 C ATOM 27 CG GLU A 3 10.560 5.929 -4.315 1.00 0.00 C ATOM 28 CD GLU A 3 10.450 4.863 -5.409 1.00 0.00 C ATOM 29 OE1 GLU A 3 9.492 4.912 -6.165 1.00 0.00 O ATOM 30 OE2 GLU A 3 11.325 4.015 -5.472 1.00 0.00 O ATOM 0 H GLU A 3 9.327 6.038 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 3 9.191 7.603 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.410 5.050 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.032 4.721 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.190 6.885 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.604 6.076 -4.039 1.00 0.00 H new ATOM 37 N CYS A 4 6.890 6.443 -3.647 1.00 0.00 N ATOM 38 CA CYS A 4 5.415 6.220 -3.710 1.00 0.00 C ATOM 39 C CYS A 4 5.071 5.229 -4.827 1.00 0.00 C ATOM 40 O CYS A 4 5.809 5.064 -5.779 1.00 0.00 O ATOM 41 CB CYS A 4 4.817 7.603 -4.003 1.00 0.00 C ATOM 42 SG CYS A 4 3.306 7.442 -4.995 1.00 0.00 S ATOM 0 H CYS A 4 7.347 6.571 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 4 5.022 5.795 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.592 8.115 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.545 8.216 -4.535 1.00 0.00 H new ATOM 47 N GLY A 5 3.940 4.586 -4.711 1.00 0.00 N ATOM 48 CA GLY A 5 3.508 3.614 -5.752 1.00 0.00 C ATOM 49 C GLY A 5 2.286 4.183 -6.474 1.00 0.00 C ATOM 50 O GLY A 5 2.407 5.020 -7.347 1.00 0.00 O ATOM 0 H GLY A 5 3.292 4.695 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.316 3.435 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.265 2.654 -5.296 1.00 0.00 H new ATOM 54 N GLY A 6 1.113 3.744 -6.102 1.00 0.00 N ATOM 55 CA GLY A 6 -0.127 4.261 -6.749 1.00 0.00 C ATOM 56 C GLY A 6 -1.276 4.239 -5.734 1.00 0.00 C ATOM 57 O GLY A 6 -1.056 4.291 -4.538 1.00 0.00 O ATOM 0 H GLY A 6 0.960 3.046 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.034 5.276 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.380 3.650 -7.616 1.00 0.00 H new ATOM 61 N PHE A 7 -2.495 4.166 -6.200 1.00 0.00 N ATOM 62 CA PHE A 7 -3.663 4.143 -5.262 1.00 0.00 C ATOM 63 C PHE A 7 -4.028 2.700 -4.895 1.00 0.00 C ATOM 64 O PHE A 7 -4.511 2.434 -3.813 1.00 0.00 O ATOM 65 CB PHE A 7 -4.810 4.828 -6.020 1.00 0.00 C ATOM 66 CG PHE A 7 -4.343 6.166 -6.561 1.00 0.00 C ATOM 67 CD1 PHE A 7 -3.475 6.969 -5.806 1.00 0.00 C ATOM 68 CD2 PHE A 7 -4.775 6.599 -7.820 1.00 0.00 C ATOM 69 CE1 PHE A 7 -3.043 8.199 -6.309 1.00 0.00 C ATOM 70 CE2 PHE A 7 -4.342 7.831 -8.324 1.00 0.00 C ATOM 71 CZ PHE A 7 -3.476 8.631 -7.568 1.00 0.00 C ATOM 0 H PHE A 7 -2.735 4.121 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.444 4.654 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.148 4.192 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.662 4.972 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.140 6.636 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.443 5.982 -8.403 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.375 8.816 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.676 8.165 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.142 9.582 -7.957 1.00 0.00 H new ATOM 81 N TRP A 8 -3.793 1.772 -5.785 1.00 0.00 N ATOM 82 CA TRP A 8 -4.116 0.345 -5.492 1.00 0.00 C ATOM 83 C TRP A 8 -3.034 -0.560 -6.102 1.00 0.00 C ATOM 84 O TRP A 8 -3.275 -1.284 -7.052 1.00 0.00 O ATOM 85 CB TRP A 8 -5.477 0.108 -6.157 1.00 0.00 C ATOM 86 CG TRP A 8 -6.241 -0.941 -5.408 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.798 -2.195 -5.149 1.00 0.00 C ATOM 88 CD2 TRP A 8 -7.574 -0.851 -4.828 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.776 -2.876 -4.447 1.00 0.00 N ATOM 90 CE2 TRP A 8 -7.889 -2.091 -4.223 1.00 0.00 C ATOM 91 CE3 TRP A 8 -8.533 0.178 -4.768 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -9.110 -2.304 -3.582 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -9.763 -0.033 -4.121 1.00 0.00 C ATOM 94 CH2 TRP A 8 -10.050 -1.272 -3.531 1.00 0.00 C ATOM 0 H TRP A 8 -3.389 1.942 -6.706 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.150 0.124 -4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.046 1.037 -6.179 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.335 -0.204 -7.192 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.839 -2.597 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.686 -3.842 -4.133 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -8.322 1.135 -5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -9.327 -3.260 -3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -10.491 0.764 -4.078 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -10.998 -1.429 -3.037 1.00 0.00 H new ATOM 105 N TRP A 9 -1.839 -0.515 -5.564 1.00 0.00 N ATOM 106 CA TRP A 9 -0.731 -1.364 -6.114 1.00 0.00 C ATOM 107 C TRP A 9 -0.565 -2.619 -5.255 1.00 0.00 C ATOM 108 O TRP A 9 -0.903 -2.619 -4.097 1.00 0.00 O ATOM 109 CB TRP A 9 0.524 -0.486 -6.037 1.00 0.00 C ATOM 110 CG TRP A 9 0.536 0.492 -7.173 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.563 0.973 -7.805 1.00 0.00 C ATOM 112 CD2 TRP A 9 1.681 1.121 -7.818 1.00 0.00 C ATOM 113 NE1 TRP A 9 -0.163 1.852 -8.792 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.210 1.979 -8.837 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.071 1.030 -7.618 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.081 2.723 -9.627 1.00 0.00 C ATOM 117 CZ3 TRP A 9 3.954 1.779 -8.415 1.00 0.00 C ATOM 118 CH2 TRP A 9 3.459 2.624 -9.417 1.00 0.00 C ATOM 0 H TRP A 9 -1.582 0.071 -4.770 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.927 -1.696 -7.134 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.547 0.048 -5.087 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.417 -1.110 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.585 0.711 -7.574 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.804 2.347 -9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.461 0.381 -6.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.694 3.373 -10.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.019 1.703 -8.254 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.141 3.198 -10.026 1.00 0.00 H new ATOM 129 N LYS A 10 -0.055 -3.689 -5.809 1.00 0.00 N ATOM 130 CA LYS A 10 0.105 -4.938 -4.996 1.00 0.00 C ATOM 131 C LYS A 10 1.452 -4.959 -4.279 1.00 0.00 C ATOM 132 O LYS A 10 2.483 -4.666 -4.857 1.00 0.00 O ATOM 133 CB LYS A 10 0.030 -6.091 -5.991 1.00 0.00 C ATOM 134 CG LYS A 10 -1.400 -6.633 -6.039 1.00 0.00 C ATOM 135 CD LYS A 10 -1.861 -6.755 -7.495 1.00 0.00 C ATOM 136 CE LYS A 10 -1.804 -8.224 -7.931 1.00 0.00 C ATOM 137 NZ LYS A 10 -3.087 -8.834 -7.466 1.00 0.00 N ATOM 0 H LYS A 10 0.255 -3.755 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.665 -5.005 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.335 -5.751 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.720 -6.882 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.446 -7.606 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.069 -5.969 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.877 -6.374 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.225 -6.149 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.700 -8.308 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.946 -8.731 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.111 -9.839 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.157 -8.749 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.887 -8.339 -7.909 1.00 0.00 H new ATOM 151 N CYS A 11 1.450 -5.319 -3.021 1.00 0.00 N ATOM 152 CA CYS A 11 2.723 -5.380 -2.249 1.00 0.00 C ATOM 153 C CYS A 11 2.633 -6.443 -1.146 1.00 0.00 C ATOM 154 O CYS A 11 1.602 -7.059 -0.945 1.00 0.00 O ATOM 155 CB CYS A 11 2.894 -3.986 -1.640 1.00 0.00 C ATOM 156 SG CYS A 11 1.554 -3.647 -0.473 1.00 0.00 S ATOM 0 H CYS A 11 0.615 -5.574 -2.494 1.00 0.00 H new ATOM 0 HA CYS A 11 3.568 -5.653 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.855 -3.919 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.898 -3.234 -2.429 1.00 0.00 H new ATOM 161 N GLY A 12 3.706 -6.650 -0.421 1.00 0.00 N ATOM 162 CA GLY A 12 3.687 -7.657 0.681 1.00 0.00 C ATOM 163 C GLY A 12 3.035 -7.030 1.916 1.00 0.00 C ATOM 164 O GLY A 12 1.898 -6.601 1.873 1.00 0.00 O ATOM 0 H GLY A 12 4.594 -6.164 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.133 -8.543 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.702 -7.980 0.914 1.00 0.00 H new ATOM 168 N ARG A 13 3.750 -6.959 3.008 1.00 0.00 N ATOM 169 CA ARG A 13 3.173 -6.337 4.238 1.00 0.00 C ATOM 170 C ARG A 13 3.430 -4.827 4.218 1.00 0.00 C ATOM 171 O ARG A 13 2.588 -4.039 4.607 1.00 0.00 O ATOM 172 CB ARG A 13 3.900 -6.999 5.413 1.00 0.00 C ATOM 173 CG ARG A 13 3.004 -6.963 6.654 1.00 0.00 C ATOM 174 CD ARG A 13 3.430 -5.807 7.565 1.00 0.00 C ATOM 175 NE ARG A 13 2.823 -6.117 8.891 1.00 0.00 N ATOM 176 CZ ARG A 13 3.583 -6.234 9.948 1.00 0.00 C ATOM 177 NH1 ARG A 13 4.377 -7.265 10.072 1.00 0.00 N ATOM 178 NH2 ARG A 13 3.547 -5.320 10.882 1.00 0.00 N ATOM 0 H ARG A 13 4.705 -7.303 3.102 1.00 0.00 H new ATOM 0 HA ARG A 13 2.095 -6.481 4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.153 -8.030 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.838 -6.480 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.962 -6.841 6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.074 -7.908 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.516 -5.738 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.074 -4.851 7.182 1.00 0.00 H new ATOM 0 HE ARG A 13 1.814 -6.238 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.404 -7.979 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.970 -7.356 10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.926 -4.516 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.140 -5.410 11.707 1.00 0.00 H new ATOM 192 N GLY A 14 4.585 -4.429 3.756 1.00 0.00 N ATOM 193 CA GLY A 14 4.919 -2.977 3.687 1.00 0.00 C ATOM 194 C GLY A 14 6.262 -2.795 2.974 1.00 0.00 C ATOM 195 O GLY A 14 7.057 -1.954 3.348 1.00 0.00 O ATOM 0 H GLY A 14 5.318 -5.054 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.136 -2.438 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.968 -2.556 4.691 1.00 0.00 H new ATOM 199 N LYS A 15 6.526 -3.583 1.957 1.00 0.00 N ATOM 200 CA LYS A 15 7.831 -3.453 1.230 1.00 0.00 C ATOM 201 C LYS A 15 7.857 -2.169 0.376 1.00 0.00 C ATOM 202 O LYS A 15 8.574 -1.242 0.699 1.00 0.00 O ATOM 203 CB LYS A 15 7.953 -4.715 0.367 1.00 0.00 C ATOM 204 CG LYS A 15 8.762 -5.774 1.118 1.00 0.00 C ATOM 205 CD LYS A 15 8.186 -7.163 0.826 1.00 0.00 C ATOM 206 CE LYS A 15 8.634 -7.626 -0.566 1.00 0.00 C ATOM 207 NZ LYS A 15 7.489 -7.322 -1.472 1.00 0.00 N ATOM 0 H LYS A 15 5.900 -4.305 1.601 1.00 0.00 H new ATOM 0 HA LYS A 15 8.673 -3.369 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.962 -5.102 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.438 -4.475 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.808 -5.731 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.734 -5.575 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.522 -7.873 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.098 -7.134 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.536 -7.102 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.866 -8.691 -0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.568 -7.895 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.595 -7.545 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.504 -6.313 -1.724 1.00 0.00 H new ATOM 221 N PRO A 16 7.070 -2.143 -0.680 1.00 0.00 N ATOM 222 CA PRO A 16 7.016 -0.943 -1.556 1.00 0.00 C ATOM 223 C PRO A 16 6.240 0.180 -0.856 1.00 0.00 C ATOM 224 O PRO A 16 5.119 -0.023 -0.426 1.00 0.00 O ATOM 225 CB PRO A 16 6.270 -1.432 -2.794 1.00 0.00 C ATOM 226 CG PRO A 16 5.447 -2.584 -2.319 1.00 0.00 C ATOM 227 CD PRO A 16 6.174 -3.203 -1.152 1.00 0.00 C ATOM 0 HA PRO A 16 7.999 -0.537 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.643 -0.645 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.963 -1.739 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.454 -2.249 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.310 -3.314 -3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.480 -3.514 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.731 -4.089 -1.455 1.00 0.00 H new ATOM 235 N PRO A 17 6.869 1.325 -0.746 1.00 0.00 N ATOM 236 CA PRO A 17 6.228 2.481 -0.071 1.00 0.00 C ATOM 237 C PRO A 17 5.140 3.112 -0.949 1.00 0.00 C ATOM 238 O PRO A 17 5.430 3.841 -1.878 1.00 0.00 O ATOM 239 CB PRO A 17 7.380 3.460 0.137 1.00 0.00 C ATOM 240 CG PRO A 17 8.379 3.118 -0.924 1.00 0.00 C ATOM 241 CD PRO A 17 8.220 1.651 -1.231 1.00 0.00 C ATOM 0 HA PRO A 17 5.731 2.196 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.042 4.492 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.811 3.356 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.211 3.718 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.392 3.332 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.318 1.455 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.979 1.054 -0.726 1.00 0.00 H new ATOM 249 N CYS A 18 3.890 2.860 -0.644 1.00 0.00 N ATOM 250 CA CYS A 18 2.784 3.478 -1.439 1.00 0.00 C ATOM 251 C CYS A 18 2.831 5.002 -1.235 1.00 0.00 C ATOM 252 O CYS A 18 3.492 5.486 -0.335 1.00 0.00 O ATOM 253 CB CYS A 18 1.487 2.888 -0.865 1.00 0.00 C ATOM 254 SG CYS A 18 0.239 2.727 -2.173 1.00 0.00 S ATOM 0 H CYS A 18 3.589 2.254 0.119 1.00 0.00 H new ATOM 0 HA CYS A 18 2.861 3.279 -2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.688 1.913 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.109 3.529 -0.068 1.00 0.00 H new ATOM 259 N CYS A 19 2.156 5.764 -2.061 1.00 0.00 N ATOM 260 CA CYS A 19 2.189 7.255 -1.898 1.00 0.00 C ATOM 261 C CYS A 19 1.813 7.650 -0.465 1.00 0.00 C ATOM 262 O CYS A 19 1.054 6.963 0.192 1.00 0.00 O ATOM 263 CB CYS A 19 1.161 7.800 -2.892 1.00 0.00 C ATOM 264 SG CYS A 19 2.015 8.758 -4.169 1.00 0.00 S ATOM 0 H CYS A 19 1.587 5.423 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 19 3.184 7.658 -2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.607 6.979 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.435 8.427 -2.375 1.00 0.00 H new ATOM 269 N LYS A 20 2.347 8.746 0.023 1.00 0.00 N ATOM 270 CA LYS A 20 2.028 9.187 1.415 1.00 0.00 C ATOM 271 C LYS A 20 0.511 9.197 1.627 1.00 0.00 C ATOM 272 O LYS A 20 -0.220 9.867 0.920 1.00 0.00 O ATOM 273 CB LYS A 20 2.610 10.599 1.545 1.00 0.00 C ATOM 274 CG LYS A 20 4.021 10.516 2.132 1.00 0.00 C ATOM 275 CD LYS A 20 4.442 11.892 2.657 1.00 0.00 C ATOM 276 CE LYS A 20 5.450 11.723 3.801 1.00 0.00 C ATOM 277 NZ LYS A 20 4.629 11.709 5.046 1.00 0.00 N ATOM 0 H LYS A 20 2.990 9.353 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 20 2.449 8.517 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.638 11.084 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.973 11.209 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.047 9.784 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.723 10.176 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.885 12.479 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.568 12.441 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.017 10.798 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.172 12.540 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.252 11.596 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.106 12.604 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.956 10.917 5.009 1.00 0.00 H new ATOM 291 N GLY A 21 0.035 8.435 2.577 1.00 0.00 N ATOM 292 CA GLY A 21 -1.436 8.364 2.826 1.00 0.00 C ATOM 293 C GLY A 21 -1.936 6.954 2.490 1.00 0.00 C ATOM 294 O GLY A 21 -2.933 6.502 3.018 1.00 0.00 O ATOM 0 H GLY A 21 0.605 7.856 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.653 8.601 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.956 9.102 2.216 1.00 0.00 H new ATOM 298 N TYR A 22 -1.243 6.255 1.618 1.00 0.00 N ATOM 299 CA TYR A 22 -1.659 4.873 1.248 1.00 0.00 C ATOM 300 C TYR A 22 -0.810 3.866 2.026 1.00 0.00 C ATOM 301 O TYR A 22 0.399 3.984 2.094 1.00 0.00 O ATOM 302 CB TYR A 22 -1.376 4.749 -0.255 1.00 0.00 C ATOM 303 CG TYR A 22 -2.283 5.670 -1.040 1.00 0.00 C ATOM 304 CD1 TYR A 22 -2.082 7.058 -1.008 1.00 0.00 C ATOM 305 CD2 TYR A 22 -3.326 5.136 -1.806 1.00 0.00 C ATOM 306 CE1 TYR A 22 -2.922 7.905 -1.737 1.00 0.00 C ATOM 307 CE2 TYR A 22 -4.165 5.983 -2.536 1.00 0.00 C ATOM 308 CZ TYR A 22 -3.964 7.368 -2.502 1.00 0.00 C ATOM 309 OH TYR A 22 -4.795 8.203 -3.222 1.00 0.00 O ATOM 0 H TYR A 22 -0.403 6.590 1.147 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.707 4.679 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.334 4.996 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.527 3.718 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.277 7.473 -0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.483 4.068 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.767 8.973 -1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.969 5.569 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.615 8.097 -4.180 1.00 0.00 H new ATOM 319 N ALA A 23 -1.429 2.878 2.615 1.00 0.00 N ATOM 320 CA ALA A 23 -0.655 1.863 3.390 1.00 0.00 C ATOM 321 C ALA A 23 -0.759 0.493 2.719 1.00 0.00 C ATOM 322 O ALA A 23 -1.712 0.210 2.015 1.00 0.00 O ATOM 323 CB ALA A 23 -1.308 1.832 4.773 1.00 0.00 C ATOM 0 H ALA A 23 -2.438 2.729 2.593 1.00 0.00 H new ATOM 0 HA ALA A 23 0.405 2.110 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.793 1.107 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.242 2.820 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.356 1.547 4.674 1.00 0.00 H new ATOM 329 N CYS A 24 0.207 -0.363 2.937 1.00 0.00 N ATOM 330 CA CYS A 24 0.161 -1.720 2.316 1.00 0.00 C ATOM 331 C CYS A 24 -0.579 -2.685 3.246 1.00 0.00 C ATOM 332 O CYS A 24 -0.583 -2.517 4.452 1.00 0.00 O ATOM 333 CB CYS A 24 1.622 -2.153 2.154 1.00 0.00 C ATOM 334 SG CYS A 24 2.131 -1.937 0.433 1.00 0.00 S ATOM 0 H CYS A 24 1.025 -0.180 3.518 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.361 -1.716 1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.262 -1.563 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.738 -3.196 2.450 1.00 0.00 H new ATOM 339 N SER A 25 -1.212 -3.687 2.695 1.00 0.00 N ATOM 340 CA SER A 25 -1.961 -4.656 3.544 1.00 0.00 C ATOM 341 C SER A 25 -1.498 -6.088 3.269 1.00 0.00 C ATOM 342 O SER A 25 -1.429 -6.520 2.133 1.00 0.00 O ATOM 343 CB SER A 25 -3.425 -4.480 3.144 1.00 0.00 C ATOM 344 OG SER A 25 -3.997 -3.424 3.904 1.00 0.00 O ATOM 0 H SER A 25 -1.242 -3.875 1.693 1.00 0.00 H new ATOM 0 HA SER A 25 -1.800 -4.477 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.499 -4.258 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.974 -5.406 3.316 1.00 0.00 H new ATOM 0 HG SER A 25 -4.881 -3.203 3.544 1.00 0.00 H new ATOM 350 N LYS A 26 -1.197 -6.832 4.304 1.00 0.00 N ATOM 351 CA LYS A 26 -0.756 -8.247 4.111 1.00 0.00 C ATOM 352 C LYS A 26 -1.970 -9.114 3.762 1.00 0.00 C ATOM 353 O LYS A 26 -1.912 -9.954 2.883 1.00 0.00 O ATOM 354 CB LYS A 26 -0.154 -8.671 5.455 1.00 0.00 C ATOM 355 CG LYS A 26 0.688 -9.935 5.264 1.00 0.00 C ATOM 356 CD LYS A 26 0.522 -10.854 6.479 1.00 0.00 C ATOM 357 CE LYS A 26 -0.414 -12.013 6.119 1.00 0.00 C ATOM 358 NZ LYS A 26 -0.954 -12.499 7.421 1.00 0.00 N ATOM 0 H LYS A 26 -1.238 -6.520 5.274 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.034 -8.355 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.463 -7.868 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.948 -8.857 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.380 -10.456 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.737 -9.669 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.492 -11.240 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.116 -10.292 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.216 -11.681 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.123 -12.804 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.604 -13.294 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.169 -12.816 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.466 -11.727 7.894 1.00 0.00 H new ATOM 372 N THR A 27 -3.068 -8.899 4.441 1.00 0.00 N ATOM 373 CA THR A 27 -4.311 -9.688 4.161 1.00 0.00 C ATOM 374 C THR A 27 -4.862 -9.317 2.779 1.00 0.00 C ATOM 375 O THR A 27 -5.345 -10.160 2.048 1.00 0.00 O ATOM 376 CB THR A 27 -5.307 -9.289 5.257 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.685 -9.411 6.530 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.532 -10.206 5.202 1.00 0.00 C ATOM 0 H THR A 27 -3.159 -8.206 5.184 1.00 0.00 H new ATOM 0 HA THR A 27 -4.124 -10.762 4.161 1.00 0.00 H new ATOM 0 HB THR A 27 -5.620 -8.257 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.321 -9.154 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.237 -9.919 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.012 -10.114 4.228 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.220 -11.239 5.357 1.00 0.00 H new ATOM 386 N TRP A 28 -4.786 -8.059 2.420 1.00 0.00 N ATOM 387 CA TRP A 28 -5.297 -7.621 1.084 1.00 0.00 C ATOM 388 C TRP A 28 -4.264 -7.962 0.006 1.00 0.00 C ATOM 389 O TRP A 28 -4.592 -8.499 -1.035 1.00 0.00 O ATOM 390 CB TRP A 28 -5.475 -6.097 1.183 1.00 0.00 C ATOM 391 CG TRP A 28 -6.473 -5.738 2.247 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.135 -6.617 3.038 1.00 0.00 C ATOM 393 CD2 TRP A 28 -6.931 -4.411 2.644 1.00 0.00 C ATOM 394 NE1 TRP A 28 -7.958 -5.916 3.897 1.00 0.00 N ATOM 395 CE2 TRP A 28 -7.871 -4.554 3.691 1.00 0.00 C ATOM 396 CE3 TRP A 28 -6.623 -3.111 2.205 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.484 -3.448 4.279 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.239 -1.996 2.794 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.167 -2.164 3.830 1.00 0.00 C ATOM 0 H TRP A 28 -4.391 -7.315 2.996 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.232 -8.115 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.516 -5.629 1.407 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.805 -5.703 0.222 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.035 -7.692 3.002 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.557 -6.352 4.598 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.907 -2.970 1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.199 -3.583 5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.996 -1.003 2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.636 -1.302 4.281 1.00 0.00 H new ATOM 410 N GLY A 29 -3.015 -7.654 0.259 1.00 0.00 N ATOM 411 CA GLY A 29 -1.940 -7.956 -0.730 1.00 0.00 C ATOM 412 C GLY A 29 -1.655 -6.728 -1.604 1.00 0.00 C ATOM 413 O GLY A 29 -1.063 -6.847 -2.660 1.00 0.00 O ATOM 0 H GLY A 29 -2.695 -7.203 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.032 -8.257 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.240 -8.795 -1.358 1.00 0.00 H new ATOM 417 N TRP A 30 -2.063 -5.549 -1.184 1.00 0.00 N ATOM 418 CA TRP A 30 -1.795 -4.334 -2.016 1.00 0.00 C ATOM 419 C TRP A 30 -1.674 -3.078 -1.138 1.00 0.00 C ATOM 420 O TRP A 30 -1.834 -3.133 0.066 1.00 0.00 O ATOM 421 CB TRP A 30 -2.982 -4.243 -2.993 1.00 0.00 C ATOM 422 CG TRP A 30 -4.213 -3.755 -2.294 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.399 -2.495 -1.837 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.431 -4.486 -1.982 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.648 -2.412 -1.254 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.325 -3.612 -1.321 1.00 0.00 C ATOM 427 CE3 TRP A 30 -5.843 -5.812 -2.203 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.584 -4.035 -0.895 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.110 -6.243 -1.777 1.00 0.00 C ATOM 430 CH2 TRP A 30 -7.978 -5.354 -1.124 1.00 0.00 C ATOM 0 H TRP A 30 -2.564 -5.380 -0.312 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.848 -4.404 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.733 -3.569 -3.812 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.172 -5.222 -3.432 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.687 -1.687 -1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.024 -1.566 -0.826 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.181 -6.503 -2.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.248 -3.348 -0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.418 -7.263 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -8.951 -5.691 -0.799 1.00 0.00 H new ATOM 441 N CYS A 31 -1.403 -1.943 -1.743 1.00 0.00 N ATOM 442 CA CYS A 31 -1.277 -0.677 -0.964 1.00 0.00 C ATOM 443 C CYS A 31 -2.325 0.338 -1.431 1.00 0.00 C ATOM 444 O CYS A 31 -2.413 0.684 -2.598 1.00 0.00 O ATOM 445 CB CYS A 31 0.160 -0.170 -1.197 1.00 0.00 C ATOM 446 SG CYS A 31 0.287 0.781 -2.738 1.00 0.00 S ATOM 0 H CYS A 31 -1.264 -1.844 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.455 -0.832 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.468 0.453 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.845 -1.017 -1.233 1.00 0.00 H new ATOM 451 N ALA A 32 -3.123 0.799 -0.506 1.00 0.00 N ATOM 452 CA ALA A 32 -4.190 1.794 -0.830 1.00 0.00 C ATOM 453 C ALA A 32 -4.452 2.671 0.403 1.00 0.00 C ATOM 454 O ALA A 32 -3.831 2.493 1.433 1.00 0.00 O ATOM 455 CB ALA A 32 -5.426 0.959 -1.169 1.00 0.00 C ATOM 0 H ALA A 32 -3.081 0.525 0.476 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.917 2.455 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.255 1.621 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.207 0.314 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.698 0.346 -0.310 1.00 0.00 H new ATOM 461 N VAL A 33 -5.365 3.605 0.317 1.00 0.00 N ATOM 462 CA VAL A 33 -5.651 4.471 1.506 1.00 0.00 C ATOM 463 C VAL A 33 -6.349 3.644 2.594 1.00 0.00 C ATOM 464 O VAL A 33 -7.438 3.139 2.397 1.00 0.00 O ATOM 465 CB VAL A 33 -6.569 5.592 0.999 1.00 0.00 C ATOM 466 CG1 VAL A 33 -7.005 6.468 2.176 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.814 6.454 -0.015 1.00 0.00 C ATOM 0 H VAL A 33 -5.921 3.806 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.740 4.879 1.944 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.446 5.151 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.657 7.264 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.543 5.859 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.126 6.905 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.467 7.249 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.937 6.892 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.500 5.836 -0.856 1.00 0.00 H new ATOM 477 N GLU A 34 -5.723 3.499 3.737 1.00 0.00 N ATOM 478 CA GLU A 34 -6.342 2.699 4.841 1.00 0.00 C ATOM 479 C GLU A 34 -7.617 3.378 5.359 1.00 0.00 C ATOM 480 O GLU A 34 -7.761 4.586 5.287 1.00 0.00 O ATOM 481 CB GLU A 34 -5.275 2.626 5.944 1.00 0.00 C ATOM 482 CG GLU A 34 -4.968 4.029 6.482 1.00 0.00 C ATOM 483 CD GLU A 34 -3.473 4.323 6.322 1.00 0.00 C ATOM 484 OE1 GLU A 34 -2.716 3.942 7.200 1.00 0.00 O ATOM 485 OE2 GLU A 34 -3.112 4.923 5.323 1.00 0.00 O ATOM 0 H GLU A 34 -4.810 3.900 3.953 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.638 1.707 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.624 1.987 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.365 2.173 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.555 4.773 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.252 4.097 7.532 1.00 0.00 H new ATOM 492 N ALA A 35 -8.543 2.601 5.876 1.00 0.00 N ATOM 493 CA ALA A 35 -9.826 3.170 6.407 1.00 0.00 C ATOM 494 C ALA A 35 -10.472 4.115 5.376 1.00 0.00 C ATOM 495 O ALA A 35 -10.609 5.300 5.622 1.00 0.00 O ATOM 496 CB ALA A 35 -9.430 3.929 7.677 1.00 0.00 C ATOM 0 H ALA A 35 -8.463 1.587 5.953 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.564 2.394 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.317 4.376 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.973 3.239 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.717 4.714 7.424 1.00 0.00 H new ATOM 502 N PRO A 36 -10.848 3.554 4.249 1.00 0.00 N ATOM 503 CA PRO A 36 -11.485 4.353 3.168 1.00 0.00 C ATOM 504 C PRO A 36 -12.919 4.751 3.556 1.00 0.00 C ATOM 505 O PRO A 36 -13.251 5.915 3.401 1.00 0.00 O ATOM 506 CB PRO A 36 -11.481 3.406 1.969 1.00 0.00 C ATOM 507 CG PRO A 36 -11.441 2.033 2.560 1.00 0.00 C ATOM 508 CD PRO A 36 -10.719 2.137 3.878 1.00 0.00 C ATOM 0 HA PRO A 36 -10.963 5.288 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.370 3.545 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.618 3.585 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.450 1.646 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.926 1.342 1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.166 1.486 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.673 1.844 3.784 1.00 0.00 H new TER 516 PRO A 36