USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 150 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 ASN : amide:sc= -0.358 K(o=-0.36,f=-5.5!) USER MOD Single : A 1 ASN N :NH3+ -154:sc= 0.518 (180deg=0.169) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -42:sc= 1.23 USER MOD Single : A 14 SER OG : rot 170:sc=-0.00199 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N ATOM 0 H1 ASN A 1 -6.410 8.202 0.874 1.00 0.00 H new ATOM 0 H2 ASN A 1 -5.443 6.806 0.861 1.00 0.00 H new ATOM 0 H3 ASN A 1 -5.193 8.023 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.798 6.709 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.043 7.289 -2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -7.610 8.714 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -5.317 7.810 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -7.057 7.568 -4.459 1.00 0.00 H new ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C ATOM 0 H LEU A 2 -4.559 6.135 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.572 3.579 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.897 5.642 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.750 4.401 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.016 3.332 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.283 4.259 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.891 5.532 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.139 5.326 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.224 2.273 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.012 3.241 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.977 2.028 -4.354 1.00 0.00 H new ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O ATOM 0 H TYR A 3 -4.675 4.184 0.253 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.482 2.516 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.096 4.333 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.595 2.818 2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.926 1.374 4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.916 5.289 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.888 1.387 5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.133 5.301 3.957 1.00 0.00 H new ATOM 0 HH TYR A 3 1.372 4.185 5.442 1.00 0.00 H new ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C ATOM 0 H ILE A 4 -5.951 1.638 0.298 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.839 -0.887 1.535 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.506 -0.010 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.076 0.040 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.581 0.843 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.102 -1.751 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.538 -2.462 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.918 -2.192 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.217 2.464 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.801 2.350 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.320 1.533 -0.433 1.00 0.00 H new ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N ATOM 0 H GLN A 5 -5.351 0.031 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.542 -2.498 -2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.003 0.350 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.289 -1.009 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.218 -1.400 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.105 -1.560 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.249 0.041 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.001 1.548 -6.546 1.00 0.00 H new ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C ATOM 0 H TRP A 6 -2.428 0.230 -1.577 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.026 -1.182 -1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.265 1.253 -1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -0.874 0.903 0.167 1.00 0.00 H new ATOM 0 HD1 TRP A 6 2.349 0.622 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.390 0.465 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.073 0.440 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 4.907 0.343 2.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.234 0.297 4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.716 0.274 4.645 1.00 0.00 H new ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C ATOM 0 H LEU A 7 -2.285 -1.263 1.024 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.596 -3.078 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.528 -2.326 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.846 -3.579 3.608 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.807 -0.737 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.914 -0.485 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.104 -0.859 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.558 -2.137 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.622 -1.264 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.200 -2.944 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.087 -2.306 4.234 1.00 0.00 H new ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N ATOM 0 H LYS A 8 -3.295 -3.668 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.541 -6.399 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.234 -4.332 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.725 -5.775 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.807 -5.873 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.235 -5.510 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.658 -7.844 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.620 -8.105 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.151 -8.874 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.599 -7.180 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.315 -8.048 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.147 -6.855 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.712 -8.496 -4.148 1.00 0.00 H new ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O ATOM 0 H ASP A 9 -0.926 -4.656 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 9 0.151 -7.078 -2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.226 -4.240 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.163 -5.486 -2.927 1.00 0.00 H new ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O ATOM 0 H GLY A 10 0.311 -5.751 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.340 -7.278 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.740 -7.360 1.262 1.00 0.00 H new ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O ATOM 0 H GLY A 11 1.522 -4.083 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.199 -2.188 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.243 -3.057 3.730 1.00 0.00 H new ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C ATOM 0 HA PRO A 12 6.574 -1.736 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.904 -3.531 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.380 -1.854 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.176 -2.495 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.187 -1.037 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.923 -3.726 5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.295 -2.123 5.262 1.00 0.00 H new ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O ATOM 0 H SER A 13 5.523 -5.161 3.706 1.00 0.00 H new ATOM 0 HA SER A 13 8.108 -6.133 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.032 -8.291 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.464 -7.385 4.341 1.00 0.00 H new ATOM 0 HG SER A 13 4.602 -6.794 2.870 1.00 0.00 H new ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O ATOM 0 H SER A 14 5.888 -4.376 1.040 1.00 0.00 H new ATOM 0 HA SER A 14 6.282 -5.973 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.896 -3.250 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.737 -4.242 -2.345 1.00 0.00 H new ATOM 0 HG SER A 14 2.999 -4.457 -0.737 1.00 0.00 H new ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O ATOM 0 H GLY A 15 8.272 -3.661 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.131 -2.659 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.798 -3.211 -2.195 1.00 0.00 H new ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N ATOM 0 H ARG A 16 7.091 -1.840 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 16 7.953 0.843 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.260 -0.716 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.151 -0.336 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.115 2.011 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.492 1.844 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.886 0.353 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.132 1.992 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 16 5.405 -0.466 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.544 3.084 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.496 3.071 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.630 -0.377 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.081 1.197 -9.290 1.00 0.00 H new ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C ATOM 0 HA PRO A 17 7.093 2.573 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.066 5.262 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.573 4.367 0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.797 5.064 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.537 5.216 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.446 3.035 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.902 2.874 -2.200 1.00 0.00 H new ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C ATOM 0 HA PRO A 18 2.787 3.173 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.544 4.835 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.037 3.163 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.803 5.652 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.928 4.274 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.515 4.453 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.936 2.896 2.982 1.00 0.00 H new ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C ATOM 0 HA PRO A 19 1.870 7.002 -0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.768 6.603 -1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.420 5.623 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.250 4.888 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.877 3.897 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.549 3.725 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.247 3.309 -0.297 1.00 0.00 H new ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O ATOM 0 H SER A 20 1.385 9.021 -0.247 1.00 0.00 H new ATOM 0 HA SER A 20 -0.430 9.486 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.173 11.299 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.721 9.660 3.025 1.00 0.00 H new ATOM 0 HG SER A 20 3.370 10.983 2.077 1.00 0.00 H new TER 305 SER A 20