USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 117 hydrogens (3 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 NoAdj-H: A 9 SEP H2 : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD NoAdj-H: A 9 SEP H : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD Single : A 1 CYS N :NH3+ 156:sc= 0.151 (180deg=0.046) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0735 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.035) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -0.149 -4.975 -11.554 1.00 0.00 N ATOM 2 CA CYS A 1 -1.577 -4.671 -11.866 1.00 0.00 C ATOM 3 C CYS A 1 -2.516 -5.212 -10.767 1.00 0.00 C ATOM 4 O CYS A 1 -2.289 -6.309 -10.255 1.00 0.00 O ATOM 5 CB CYS A 1 -1.982 -5.227 -13.257 1.00 0.00 C ATOM 6 SG CYS A 1 -0.969 -4.476 -14.574 1.00 0.00 S ATOM 0 H1 CYS A 1 0.404 -4.984 -12.434 1.00 0.00 H new ATOM 0 H2 CYS A 1 0.229 -4.247 -10.915 1.00 0.00 H new ATOM 0 H3 CYS A 1 -0.085 -5.906 -11.095 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.681 -3.586 -11.895 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.859 -6.310 -13.271 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -3.037 -5.023 -13.442 1.00 0.00 H new ATOM 0 HG CYS A 1 -1.327 -4.960 -15.726 1.00 0.00 H new ATOM 13 N ARG A 2 -3.574 -4.458 -10.409 1.00 0.00 N ATOM 14 CA ARG A 2 -4.642 -4.856 -9.457 1.00 0.00 C ATOM 15 C ARG A 2 -4.108 -5.312 -8.077 1.00 0.00 C ATOM 16 O ARG A 2 -4.576 -6.292 -7.493 1.00 0.00 O ATOM 17 CB ARG A 2 -5.612 -5.858 -10.133 1.00 0.00 C ATOM 18 CG ARG A 2 -6.524 -5.141 -11.144 1.00 0.00 C ATOM 19 CD ARG A 2 -7.476 -6.094 -11.884 1.00 0.00 C ATOM 20 NE ARG A 2 -6.857 -6.664 -13.097 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.486 -7.369 -14.032 1.00 0.00 C ATOM 22 NH1 ARG A 2 -6.849 -7.707 -15.134 1.00 0.00 N ATOM 23 NH2 ARG A 2 -8.743 -7.743 -13.903 1.00 0.00 N ATOM 0 H ARG A 2 -3.718 -3.521 -10.785 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.221 -3.966 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.042 -6.637 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.220 -6.350 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.111 -4.385 -10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.906 -4.617 -11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.773 -6.902 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.384 -5.558 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.859 -6.503 -13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.877 -7.428 -15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.328 -8.248 -15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.266 -7.492 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.193 -8.284 -14.642 1.00 0.00 H new ATOM 34 N LYS A 3 -3.100 -4.600 -7.555 1.00 0.00 N ATOM 35 CA LYS A 3 -2.376 -4.962 -6.321 1.00 0.00 C ATOM 36 C LYS A 3 -3.157 -4.595 -5.039 1.00 0.00 C ATOM 37 O LYS A 3 -3.382 -5.454 -4.183 1.00 0.00 O ATOM 38 CB LYS A 3 -0.980 -4.307 -6.394 1.00 0.00 C ATOM 39 CG LYS A 3 -0.014 -4.829 -5.319 1.00 0.00 C ATOM 40 CD LYS A 3 1.383 -4.215 -5.512 1.00 0.00 C ATOM 41 CE LYS A 3 2.402 -4.697 -4.470 1.00 0.00 C ATOM 42 NZ LYS A 3 2.792 -6.122 -4.659 1.00 0.00 N ATOM 0 H LYS A 3 -2.756 -3.741 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.267 -6.045 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.551 -4.489 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.085 -3.227 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.394 -4.581 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.048 -5.916 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.747 -4.462 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.306 -3.129 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.293 -4.071 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.982 -4.569 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.481 -6.393 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.949 -6.726 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.219 -6.243 -5.600 1.00 0.00 H new ATOM 52 N ALA A 4 -3.591 -3.332 -4.919 1.00 0.00 N ATOM 53 CA ALA A 4 -4.381 -2.822 -3.785 1.00 0.00 C ATOM 54 C ALA A 4 -5.904 -2.844 -4.037 1.00 0.00 C ATOM 55 O ALA A 4 -6.677 -2.990 -3.092 1.00 0.00 O ATOM 56 CB ALA A 4 -3.901 -1.390 -3.484 1.00 0.00 C ATOM 0 H ALA A 4 -3.399 -2.619 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.221 -3.481 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.469 -0.984 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.841 -1.407 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.053 -0.763 -4.363 1.00 0.00 H new ATOM 62 N GLY A 5 -6.337 -2.652 -5.295 1.00 0.00 N ATOM 63 CA GLY A 5 -7.758 -2.508 -5.669 1.00 0.00 C ATOM 64 C GLY A 5 -8.385 -1.167 -5.256 1.00 0.00 C ATOM 65 O GLY A 5 -9.607 -1.074 -5.149 1.00 0.00 O ATOM 0 H GLY A 5 -5.703 -2.591 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.851 -2.623 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.326 -3.318 -5.212 1.00 0.00 H new ATOM 69 N VAL A 6 -7.554 -0.146 -4.997 1.00 0.00 N ATOM 70 CA VAL A 6 -7.928 1.174 -4.439 1.00 0.00 C ATOM 71 C VAL A 6 -6.954 2.244 -4.971 1.00 0.00 C ATOM 72 O VAL A 6 -7.342 3.089 -5.777 1.00 0.00 O ATOM 73 CB VAL A 6 -7.930 1.180 -2.881 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.387 2.542 -2.337 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.809 0.093 -2.243 1.00 0.00 C ATOM 0 H VAL A 6 -6.553 -0.216 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.946 1.397 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.896 0.971 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.380 2.520 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.710 3.320 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.397 2.754 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.752 0.170 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.843 0.227 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.457 -0.890 -2.556 1.00 0.00 H new ATOM 85 N GLY A 7 -5.686 2.181 -4.535 1.00 0.00 N ATOM 86 CA GLY A 7 -4.612 3.126 -4.896 1.00 0.00 C ATOM 87 C GLY A 7 -3.451 3.143 -3.891 1.00 0.00 C ATOM 88 O GLY A 7 -2.980 4.219 -3.522 1.00 0.00 O ATOM 0 H GLY A 7 -5.368 1.448 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.226 2.866 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.031 4.129 -4.972 1.00 0.00 H new ATOM 92 N GLN A 8 -3.035 1.954 -3.423 1.00 0.00 N ATOM 93 CA GLN A 8 -2.092 1.741 -2.304 1.00 0.00 C ATOM 94 C GLN A 8 -2.564 2.437 -1.004 1.00 0.00 C ATOM 95 O GLN A 8 -1.756 2.987 -0.248 1.00 0.00 O ATOM 96 CB GLN A 8 -0.647 2.067 -2.734 1.00 0.00 C ATOM 97 CG GLN A 8 -0.107 1.014 -3.719 1.00 0.00 C ATOM 98 CD GLN A 8 1.297 1.362 -4.218 1.00 0.00 C ATOM 99 OE1 GLN A 8 1.506 1.721 -5.373 1.00 0.00 O ATOM 100 NE2 GLN A 8 2.313 1.279 -3.382 1.00 0.00 N ATOM 0 H GLN A 8 -3.358 1.076 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.084 0.682 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.617 3.052 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.004 2.109 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.087 0.039 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.784 0.932 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.158 0.982 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.254 1.511 -3.699 1.00 0.00 H new HETATM 107 N SEP A 9 -3.886 2.392 -0.745 1.00 0.00 N HETATM 108 CA SEP A 9 -4.563 2.950 0.440 1.00 0.00 C HETATM 109 CB SEP A 9 -5.374 4.219 0.095 1.00 0.00 C HETATM 110 OG SEP A 9 -4.574 5.398 0.055 1.00 0.00 O HETATM 111 C SEP A 9 -5.440 1.906 1.146 1.00 0.00 C HETATM 112 O SEP A 9 -6.637 1.748 0.881 1.00 0.00 O HETATM 113 P SEP A 9 -4.456 6.435 1.308 1.00 0.00 P HETATM 114 O1P SEP A 9 -4.052 5.616 2.484 1.00 0.00 O HETATM 115 O2P SEP A 9 -3.415 7.398 0.859 1.00 0.00 O HETATM 116 O3P SEP A 9 -5.815 7.036 1.421 1.00 0.00 O HETATM 0 HB3 SEP A 9 -5.858 4.082 -0.872 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -6.166 4.349 0.833 1.00 0.00 H new HETATM 0 HA SEP A 9 -3.779 3.242 1.138 1.00 0.00 H new ATOM 120 N TRP A 10 -4.786 1.191 2.059 1.00 0.00 N ATOM 121 CA TRP A 10 -5.320 0.164 2.966 1.00 0.00 C ATOM 122 C TRP A 10 -4.295 -0.145 4.080 1.00 0.00 C ATOM 123 O TRP A 10 -3.417 0.668 4.376 1.00 0.00 O ATOM 124 CB TRP A 10 -5.752 -1.090 2.165 1.00 0.00 C ATOM 125 CG TRP A 10 -4.672 -1.752 1.361 1.00 0.00 C ATOM 126 CD1 TRP A 10 -4.277 -1.326 0.149 1.00 0.00 C ATOM 127 CD2 TRP A 10 -3.781 -2.865 1.686 1.00 0.00 C ATOM 128 NE1 TRP A 10 -3.232 -2.101 -0.307 1.00 0.00 N ATOM 129 CE2 TRP A 10 -2.855 -3.036 0.622 1.00 0.00 C ATOM 130 CE3 TRP A 10 -3.601 -3.700 2.803 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -1.801 -3.954 0.682 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -2.518 -4.600 2.893 1.00 0.00 C ATOM 133 CH2 TRP A 10 -1.607 -4.714 1.840 1.00 0.00 C ATOM 0 H TRP A 10 -3.784 1.322 2.199 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.217 0.537 3.461 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.160 -1.821 2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.560 -0.807 1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.714 -0.498 -0.389 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.794 -1.992 -1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.312 -3.651 3.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.139 -4.075 -0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.393 -5.203 3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.762 -5.382 1.919 1.00 0.00 H new ATOM 143 N LYS A 11 -4.380 -1.337 4.685 1.00 0.00 N ATOM 144 CA LYS A 11 -3.492 -1.849 5.746 1.00 0.00 C ATOM 145 C LYS A 11 -1.981 -1.672 5.438 1.00 0.00 C ATOM 146 O LYS A 11 -1.216 -1.308 6.330 1.00 0.00 O ATOM 147 CB LYS A 11 -3.816 -3.319 6.127 1.00 0.00 C ATOM 148 CG LYS A 11 -5.304 -3.744 6.065 1.00 0.00 C ATOM 149 CD LYS A 11 -5.496 -5.270 5.993 1.00 0.00 C ATOM 150 CE LYS A 11 -5.156 -5.878 4.609 1.00 0.00 C ATOM 151 NZ LYS A 11 -5.550 -7.312 4.531 1.00 0.00 N ATOM 0 H LYS A 11 -5.107 -2.008 4.437 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.702 -1.223 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.248 -3.974 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.454 -3.495 7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.822 -3.360 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.771 -3.284 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.870 -5.742 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.530 -5.509 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.668 -5.316 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.086 -5.783 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.308 -7.688 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.042 -7.852 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.575 -7.399 4.686 1.00 0.00 H new ATOM 161 N GLU A 12 -1.583 -1.897 4.174 1.00 0.00 N ATOM 162 CA GLU A 12 -0.240 -1.721 3.595 1.00 0.00 C ATOM 163 C GLU A 12 0.863 -2.325 4.495 1.00 0.00 C ATOM 164 O GLU A 12 1.012 -3.546 4.536 1.00 0.00 O ATOM 165 CB GLU A 12 -0.025 -0.238 3.229 1.00 0.00 C ATOM 166 CG GLU A 12 -0.745 0.234 1.953 1.00 0.00 C ATOM 167 CD GLU A 12 0.069 -0.059 0.675 1.00 0.00 C ATOM 168 OE1 GLU A 12 1.209 0.454 0.542 1.00 0.00 O ATOM 169 OE2 GLU A 12 -0.421 -0.789 -0.217 1.00 0.00 O ATOM 0 H GLU A 12 -2.245 -2.234 3.475 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.166 -2.288 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.359 0.378 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.044 -0.061 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.715 -0.258 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.935 1.305 2.022 1.00 0.00 H new ATOM 174 N ASN A 13 1.621 -1.479 5.210 1.00 0.00 N ATOM 175 CA ASN A 13 2.643 -1.812 6.216 1.00 0.00 C ATOM 176 C ASN A 13 3.215 -0.523 6.847 1.00 0.00 C ATOM 177 O ASN A 13 3.246 -0.408 8.072 1.00 0.00 O ATOM 178 CB ASN A 13 3.764 -2.725 5.668 1.00 0.00 C ATOM 179 CG ASN A 13 4.415 -2.229 4.377 1.00 0.00 C ATOM 180 OD1 ASN A 13 5.360 -1.449 4.392 1.00 0.00 O ATOM 181 ND2 ASN A 13 3.928 -2.657 3.225 1.00 0.00 N ATOM 0 H ASN A 13 1.529 -0.470 5.092 1.00 0.00 H new ATOM 0 HA ASN A 13 2.147 -2.393 6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.535 -2.829 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.352 -3.719 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.339 -2.338 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.141 -3.306 3.214 1.00 0.00 H new ATOM 187 N SER A 14 3.603 0.450 6.006 1.00 0.00 N ATOM 188 CA SER A 14 4.043 1.819 6.352 1.00 0.00 C ATOM 189 C SER A 14 5.445 1.876 7.014 1.00 0.00 C ATOM 190 O SER A 14 5.889 0.892 7.621 1.00 0.00 O ATOM 191 CB SER A 14 2.998 2.546 7.229 1.00 0.00 C ATOM 192 OG SER A 14 1.718 2.544 6.604 1.00 0.00 O ATOM 0 H SER A 14 3.620 0.294 4.998 1.00 0.00 H new ATOM 0 HA SER A 14 4.130 2.343 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.932 2.059 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.318 3.573 7.407 1.00 0.00 H new ATOM 0 HG SER A 14 1.073 3.008 7.178 1.00 0.00 H new ATOM 197 N PRO A 15 6.155 3.027 6.947 1.00 0.00 N ATOM 198 CA PRO A 15 7.384 3.250 7.712 1.00 0.00 C ATOM 199 C PRO A 15 7.113 3.565 9.194 1.00 0.00 C ATOM 200 O PRO A 15 8.013 3.386 10.011 1.00 0.00 O ATOM 201 CB PRO A 15 8.082 4.419 7.007 1.00 0.00 C ATOM 202 CG PRO A 15 6.921 5.240 6.448 1.00 0.00 C ATOM 203 CD PRO A 15 5.894 4.171 6.072 1.00 0.00 C ATOM 0 HA PRO A 15 8.001 2.352 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.689 5.002 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.746 4.072 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.526 5.937 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.224 5.831 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.878 4.542 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.992 3.889 5.024 1.00 0.00 H new ATOM 208 N LEU A 16 5.901 4.061 9.524 1.00 0.00 N ATOM 209 CA LEU A 16 5.338 4.364 10.863 1.00 0.00 C ATOM 210 C LEU A 16 6.206 5.218 11.804 1.00 0.00 C ATOM 211 O LEU A 16 6.006 5.295 13.017 1.00 0.00 O ATOM 212 CB LEU A 16 4.786 3.090 11.503 1.00 0.00 C ATOM 213 CG LEU A 16 5.828 2.135 12.123 1.00 0.00 C ATOM 214 CD1 LEU A 16 5.531 1.860 13.605 1.00 0.00 C ATOM 215 CD2 LEU A 16 5.895 0.803 11.369 1.00 0.00 C ATOM 0 H LEU A 16 5.226 4.281 8.792 1.00 0.00 H new ATOM 0 HA LEU A 16 4.510 5.050 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.077 3.376 12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.225 2.541 10.746 1.00 0.00 H new ATOM 0 HG LEU A 16 6.792 2.637 12.040 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.285 1.184 14.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.551 2.798 14.160 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.546 1.403 13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.640 0.158 11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.920 0.316 11.403 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.173 0.986 10.331 1.00 0.00 H new ATOM 226 N ASN A 17 7.190 5.843 11.179 1.00 0.00 N ATOM 227 CA ASN A 17 8.229 6.714 11.740 1.00 0.00 C ATOM 228 C ASN A 17 9.263 5.947 12.608 1.00 0.00 C ATOM 229 O ASN A 17 9.698 6.428 13.658 1.00 0.00 O ATOM 230 CB ASN A 17 7.590 7.971 12.388 1.00 0.00 C ATOM 231 CG ASN A 17 7.882 9.225 11.569 1.00 0.00 C ATOM 232 OD1 ASN A 17 8.681 10.073 11.953 1.00 0.00 O ATOM 233 ND2 ASN A 17 7.263 9.367 10.407 1.00 0.00 N ATOM 0 H ASN A 17 7.298 5.749 10.169 1.00 0.00 H new ATOM 0 HA ASN A 17 8.849 7.093 10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.512 7.832 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.975 8.097 13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.450 10.185 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.600 8.659 10.093 1.00 0.00 H new ATOM 239 N VAL A 18 9.687 4.753 12.158 1.00 0.00 N ATOM 240 CA VAL A 18 10.817 3.991 12.755 1.00 0.00 C ATOM 241 C VAL A 18 12.139 4.794 12.744 1.00 0.00 C ATOM 242 O VAL A 18 12.927 4.662 13.683 1.00 0.00 O ATOM 243 CB VAL A 18 11.011 2.623 12.044 1.00 0.00 C ATOM 244 CG1 VAL A 18 12.330 1.902 12.377 1.00 0.00 C ATOM 245 CG2 VAL A 18 9.868 1.663 12.414 1.00 0.00 C ATOM 0 H VAL A 18 9.257 4.279 11.364 1.00 0.00 H new ATOM 0 HA VAL A 18 10.552 3.809 13.797 1.00 0.00 H new ATOM 0 HB VAL A 18 11.024 2.869 10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.375 0.958 11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.172 2.530 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.378 1.708 13.448 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.017 0.709 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.860 1.505 13.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.916 2.094 12.103 1.00 0.00 H new ATOM 255 N SER A 19 12.357 5.627 11.707 1.00 0.00 N ATOM 256 CA SER A 19 13.533 6.509 11.504 1.00 0.00 C ATOM 257 C SER A 19 14.900 5.835 11.754 1.00 0.00 C ATOM 258 O SER A 19 15.125 4.743 11.178 1.00 0.00 O ATOM 259 CB SER A 19 13.345 7.866 12.212 1.00 0.00 C ATOM 260 OG SER A 19 13.131 7.736 13.614 1.00 0.00 O ATOM 261 OXT SER A 19 15.785 6.406 12.437 1.00 0.00 O ATOM 0 H SER A 19 11.684 5.710 10.945 1.00 0.00 H new ATOM 0 HA SER A 19 13.574 6.722 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.226 8.485 12.040 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.497 8.388 11.767 1.00 0.00 H new ATOM 0 HG SER A 19 13.020 8.625 14.012 1.00 0.00 H new TER 266 SER A 19