USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 118 hydrogens (8 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 NoAdj-H: A 14 SEP H2 : A 14 SEP N : A 13 ASN C :(H bumps) USER MOD NoAdj-H: A 14 SEP H : A 14 SEP N : A 13 ASN C :(H bumps) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 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=-0.051) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 0.0335 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.0386 X(o=0.039,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.13 K(o=0.13,f=-3.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -6.464 -8.052 1.282 1.00 0.00 N ATOM 2 CA CYS A 1 -6.904 -6.813 1.987 1.00 0.00 C ATOM 3 C CYS A 1 -5.846 -5.694 1.857 1.00 0.00 C ATOM 4 O CYS A 1 -4.841 -5.717 2.568 1.00 0.00 O ATOM 5 CB CYS A 1 -7.254 -7.121 3.471 1.00 0.00 C ATOM 6 SG CYS A 1 -8.060 -5.690 4.264 1.00 0.00 S ATOM 0 H1 CYS A 1 -7.192 -8.787 1.385 1.00 0.00 H new ATOM 0 H2 CYS A 1 -6.321 -7.845 0.273 1.00 0.00 H new ATOM 0 H3 CYS A 1 -5.571 -8.389 1.696 1.00 0.00 H new ATOM 0 HA CYS A 1 -7.812 -6.447 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -7.913 -7.988 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -6.346 -7.380 4.016 1.00 0.00 H new ATOM 0 HG CYS A 1 -8.341 -5.980 5.500 1.00 0.00 H new ATOM 13 N ARG A 2 -6.059 -4.722 0.949 1.00 0.00 N ATOM 14 CA ARG A 2 -5.260 -3.487 0.731 1.00 0.00 C ATOM 15 C ARG A 2 -3.717 -3.632 0.751 1.00 0.00 C ATOM 16 O ARG A 2 -3.003 -2.777 1.275 1.00 0.00 O ATOM 17 CB ARG A 2 -5.822 -2.315 1.569 1.00 0.00 C ATOM 18 CG ARG A 2 -5.791 -2.504 3.095 1.00 0.00 C ATOM 19 CD ARG A 2 -6.400 -1.292 3.810 1.00 0.00 C ATOM 20 NE ARG A 2 -6.554 -1.545 5.255 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.190 -0.770 6.129 1.00 0.00 C ATOM 22 NH1 ARG A 2 -7.296 -1.150 7.384 1.00 0.00 N ATOM 23 NH2 ARG A 2 -7.731 0.381 5.782 1.00 0.00 N ATOM 0 H ARG A 2 -6.845 -4.777 0.302 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.402 -3.238 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.259 -1.415 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.854 -2.139 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.342 -3.405 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.763 -2.648 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.765 -0.420 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.371 -1.060 3.374 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.131 -2.398 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.891 -2.037 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.783 -0.558 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.669 0.703 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.211 0.950 6.479 1.00 0.00 H new ATOM 34 N LYS A 3 -3.200 -4.716 0.152 1.00 0.00 N ATOM 35 CA LYS A 3 -1.762 -5.073 0.073 1.00 0.00 C ATOM 36 C LYS A 3 -1.329 -5.484 -1.355 1.00 0.00 C ATOM 37 O LYS A 3 -0.566 -6.436 -1.549 1.00 0.00 O ATOM 38 CB LYS A 3 -1.454 -6.137 1.155 1.00 0.00 C ATOM 39 CG LYS A 3 -1.383 -5.514 2.561 1.00 0.00 C ATOM 40 CD LYS A 3 -1.076 -6.572 3.631 1.00 0.00 C ATOM 41 CE LYS A 3 -0.850 -5.956 5.022 1.00 0.00 C ATOM 42 NZ LYS A 3 -2.080 -5.341 5.594 1.00 0.00 N ATOM 0 H LYS A 3 -3.794 -5.403 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.155 -4.192 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.224 -6.908 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.507 -6.626 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.613 -4.742 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.330 -5.026 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.901 -7.283 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.189 -7.134 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.488 -6.728 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.069 -5.198 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.866 -4.943 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.415 -4.584 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.820 -6.066 5.687 1.00 0.00 H new ATOM 52 N ALA A 4 -1.870 -4.791 -2.366 1.00 0.00 N ATOM 53 CA ALA A 4 -1.519 -4.837 -3.803 1.00 0.00 C ATOM 54 C ALA A 4 -2.110 -6.033 -4.589 1.00 0.00 C ATOM 55 O ALA A 4 -1.922 -6.124 -5.804 1.00 0.00 O ATOM 56 CB ALA A 4 -0.007 -4.686 -3.976 1.00 0.00 C ATOM 0 H ALA A 4 -2.626 -4.129 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.011 -3.983 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.243 -4.721 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.313 -3.731 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.502 -5.498 -3.456 1.00 0.00 H new ATOM 62 N GLY A 5 -2.802 -6.961 -3.911 1.00 0.00 N ATOM 63 CA GLY A 5 -3.340 -8.206 -4.492 1.00 0.00 C ATOM 64 C GLY A 5 -2.303 -9.333 -4.568 1.00 0.00 C ATOM 65 O GLY A 5 -2.466 -10.261 -5.360 1.00 0.00 O ATOM 0 H GLY A 5 -3.010 -6.866 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.188 -8.541 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.717 -7.999 -5.494 1.00 0.00 H new ATOM 69 N VAL A 6 -1.235 -9.234 -3.766 1.00 0.00 N ATOM 70 CA VAL A 6 -0.027 -10.086 -3.830 1.00 0.00 C ATOM 71 C VAL A 6 0.699 -10.279 -2.485 1.00 0.00 C ATOM 72 O VAL A 6 1.262 -11.349 -2.254 1.00 0.00 O ATOM 73 CB VAL A 6 1.010 -9.531 -4.840 1.00 0.00 C ATOM 74 CG1 VAL A 6 0.665 -9.896 -6.292 1.00 0.00 C ATOM 75 CG2 VAL A 6 1.253 -8.015 -4.742 1.00 0.00 C ATOM 0 H VAL A 6 -1.180 -8.535 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.415 -11.054 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 6 1.938 -10.023 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.421 -9.484 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.639 -10.981 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.310 -9.483 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.992 -7.716 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.319 -7.484 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.620 -7.769 -3.746 1.00 0.00 H new ATOM 85 N GLY A 7 0.698 -9.265 -1.605 1.00 0.00 N ATOM 86 CA GLY A 7 1.475 -9.247 -0.350 1.00 0.00 C ATOM 87 C GLY A 7 2.601 -8.206 -0.354 1.00 0.00 C ATOM 88 O GLY A 7 3.704 -8.494 0.107 1.00 0.00 O ATOM 0 H GLY A 7 0.148 -8.418 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.803 -9.043 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.903 -10.235 -0.180 1.00 0.00 H new ATOM 92 N GLN A 8 2.314 -7.009 -0.885 1.00 0.00 N ATOM 93 CA GLN A 8 3.211 -5.842 -0.958 1.00 0.00 C ATOM 94 C GLN A 8 4.432 -6.032 -1.904 1.00 0.00 C ATOM 95 O GLN A 8 5.570 -5.739 -1.534 1.00 0.00 O ATOM 96 CB GLN A 8 3.557 -5.288 0.448 1.00 0.00 C ATOM 97 CG GLN A 8 2.365 -4.585 1.131 1.00 0.00 C ATOM 98 CD GLN A 8 2.659 -4.252 2.598 1.00 0.00 C ATOM 99 OE1 GLN A 8 2.128 -4.859 3.521 1.00 0.00 O ATOM 100 NE2 GLN A 8 3.513 -3.287 2.883 1.00 0.00 N ATOM 0 H GLN A 8 1.401 -6.816 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 8 2.645 -5.053 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.899 -6.107 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.385 -4.585 0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.127 -3.668 0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.485 -5.226 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.967 -2.769 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.719 -3.059 3.856 1.00 0.00 H new HETATM 107 N SEP A 9 4.182 -6.474 -3.152 1.00 0.00 N HETATM 108 CA SEP A 9 5.149 -6.515 -4.278 1.00 0.00 C HETATM 109 CB SEP A 9 5.344 -7.952 -4.810 1.00 0.00 C HETATM 110 OG SEP A 9 6.036 -8.770 -3.870 1.00 0.00 O HETATM 111 C SEP A 9 4.724 -5.542 -5.405 1.00 0.00 C HETATM 112 O SEP A 9 4.171 -5.931 -6.440 1.00 0.00 O HETATM 113 P SEP A 9 6.583 -10.257 -4.240 1.00 0.00 P HETATM 114 O1P SEP A 9 7.598 -10.038 -5.306 1.00 0.00 O HETATM 115 O2P SEP A 9 7.161 -10.733 -2.954 1.00 0.00 O HETATM 116 O3P SEP A 9 5.384 -11.020 -4.678 1.00 0.00 O HETATM 0 HB3 SEP A 9 4.372 -8.394 -5.032 1.00 0.00 H new HETATM 0 HB2 SEP A 9 5.901 -7.922 -5.746 1.00 0.00 H new HETATM 0 HA SEP A 9 6.116 -6.183 -3.899 1.00 0.00 H new ATOM 121 N TRP A 10 4.954 -4.248 -5.158 1.00 0.00 N ATOM 122 CA TRP A 10 4.496 -3.085 -5.951 1.00 0.00 C ATOM 123 C TRP A 10 5.301 -1.806 -5.588 1.00 0.00 C ATOM 124 O TRP A 10 6.462 -1.908 -5.184 1.00 0.00 O ATOM 125 CB TRP A 10 2.970 -2.904 -5.769 1.00 0.00 C ATOM 126 CG TRP A 10 2.550 -2.463 -4.400 1.00 0.00 C ATOM 127 CD1 TRP A 10 2.769 -3.166 -3.276 1.00 0.00 C ATOM 128 CD2 TRP A 10 1.792 -1.294 -3.971 1.00 0.00 C ATOM 129 NE1 TRP A 10 2.340 -2.465 -2.171 1.00 0.00 N ATOM 130 CE2 TRP A 10 1.689 -1.323 -2.547 1.00 0.00 C ATOM 131 CE3 TRP A 10 1.182 -0.210 -4.626 1.00 0.00 C ATOM 132 CZ2 TRP A 10 1.031 -0.341 -1.811 1.00 0.00 C ATOM 133 CZ3 TRP A 10 0.461 0.752 -3.890 1.00 0.00 C ATOM 134 CH2 TRP A 10 0.354 0.668 -2.498 1.00 0.00 C ATOM 0 H TRP A 10 5.500 -3.958 -4.347 1.00 0.00 H new ATOM 0 HA TRP A 10 4.685 -3.269 -7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.615 -2.173 -6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.476 -3.848 -5.999 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.220 -4.147 -3.244 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.488 -2.757 -1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.266 -0.114 -5.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.044 -0.360 -0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.017 1.569 -4.410 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.250 1.381 -1.957 1.00 0.00 H new ATOM 144 N LYS A 11 4.721 -0.597 -5.713 1.00 0.00 N ATOM 145 CA LYS A 11 5.420 0.669 -5.404 1.00 0.00 C ATOM 146 C LYS A 11 5.679 0.897 -3.892 1.00 0.00 C ATOM 147 O LYS A 11 6.721 1.443 -3.526 1.00 0.00 O ATOM 148 CB LYS A 11 4.719 1.855 -6.112 1.00 0.00 C ATOM 149 CG LYS A 11 3.393 2.319 -5.485 1.00 0.00 C ATOM 150 CD LYS A 11 3.552 3.444 -4.454 1.00 0.00 C ATOM 151 CE LYS A 11 2.392 3.488 -3.435 1.00 0.00 C ATOM 152 NZ LYS A 11 1.204 4.205 -3.984 1.00 0.00 N ATOM 0 H LYS A 11 3.760 -0.469 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 11 6.427 0.594 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.406 2.701 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.531 1.575 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.727 2.658 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.911 1.467 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.494 3.312 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.611 4.401 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.109 2.472 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.727 3.983 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.841 4.871 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.479 4.728 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.463 3.516 -4.223 1.00 0.00 H new ATOM 162 N GLU A 12 4.749 0.448 -3.033 1.00 0.00 N ATOM 163 CA GLU A 12 4.807 0.446 -1.556 1.00 0.00 C ATOM 164 C GLU A 12 4.996 1.847 -0.911 1.00 0.00 C ATOM 165 O GLU A 12 4.750 2.872 -1.541 1.00 0.00 O ATOM 166 CB GLU A 12 5.913 -0.523 -1.065 1.00 0.00 C ATOM 167 CG GLU A 12 5.790 -1.979 -1.515 1.00 0.00 C ATOM 168 CD GLU A 12 7.019 -2.760 -1.016 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.073 -3.098 0.193 1.00 0.00 O ATOM 170 OE2 GLU A 12 7.966 -2.985 -1.805 1.00 0.00 O ATOM 0 H GLU A 12 3.874 0.048 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 12 3.826 0.103 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.876 -0.141 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.926 -0.502 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.876 -2.420 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.724 -2.034 -2.602 1.00 0.00 H new ATOM 175 N ASN A 13 5.401 1.897 0.370 1.00 0.00 N ATOM 176 CA ASN A 13 5.850 3.067 1.152 1.00 0.00 C ATOM 177 C ASN A 13 4.705 4.010 1.579 1.00 0.00 C ATOM 178 O ASN A 13 4.493 4.225 2.776 1.00 0.00 O ATOM 179 CB ASN A 13 6.963 3.824 0.401 1.00 0.00 C ATOM 180 CG ASN A 13 7.675 4.831 1.301 1.00 0.00 C ATOM 181 OD1 ASN A 13 8.747 4.564 1.833 1.00 0.00 O ATOM 182 ND2 ASN A 13 7.109 6.004 1.511 1.00 0.00 N ATOM 0 H ASN A 13 5.425 1.048 0.935 1.00 0.00 H new ATOM 0 HA ASN A 13 6.258 2.676 2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.688 3.110 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.534 4.343 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.563 6.688 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.217 6.226 1.069 1.00 0.00 H new HETATM 188 N SEP A 14 3.974 4.545 0.599 1.00 0.00 N HETATM 189 CA SEP A 14 2.896 5.545 0.736 1.00 0.00 C HETATM 190 CB SEP A 14 3.372 6.911 0.201 1.00 0.00 C HETATM 191 OG SEP A 14 4.423 7.453 0.993 1.00 0.00 O HETATM 192 C SEP A 14 1.621 5.064 0.006 1.00 0.00 C HETATM 193 O SEP A 14 1.351 5.498 -1.121 1.00 0.00 O HETATM 194 P SEP A 14 5.084 8.911 0.683 1.00 0.00 P HETATM 195 O1P SEP A 14 6.044 9.094 1.804 1.00 0.00 O HETATM 196 O2P SEP A 14 5.735 8.757 -0.646 1.00 0.00 O HETATM 197 O3P SEP A 14 3.949 9.873 0.704 1.00 0.00 O HETATM 0 HB3 SEP A 14 3.713 6.799 -0.828 1.00 0.00 H new HETATM 0 HB2 SEP A 14 2.533 7.607 0.185 1.00 0.00 H new HETATM 0 HA SEP A 14 2.649 5.664 1.791 1.00 0.00 H new ATOM 202 N PRO A 15 0.860 4.110 0.592 1.00 0.00 N ATOM 203 CA PRO A 15 -0.262 3.463 -0.085 1.00 0.00 C ATOM 204 C PRO A 15 -1.454 4.415 -0.248 1.00 0.00 C ATOM 205 O PRO A 15 -1.906 4.627 -1.373 1.00 0.00 O ATOM 206 CB PRO A 15 -0.598 2.232 0.768 1.00 0.00 C ATOM 207 CG PRO A 15 -0.101 2.591 2.168 1.00 0.00 C ATOM 208 CD PRO A 15 1.109 3.480 1.884 1.00 0.00 C ATOM 0 HA PRO A 15 -0.007 3.171 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.669 2.028 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.103 1.338 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.862 3.117 2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.175 1.704 2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.232 4.230 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.026 2.892 1.859 1.00 0.00 H new ATOM 213 N LEU A 16 -1.913 5.025 0.854 1.00 0.00 N ATOM 214 CA LEU A 16 -2.911 6.094 0.894 1.00 0.00 C ATOM 215 C LEU A 16 -2.927 6.702 2.306 1.00 0.00 C ATOM 216 O LEU A 16 -3.419 6.096 3.259 1.00 0.00 O ATOM 217 CB LEU A 16 -4.314 5.592 0.465 1.00 0.00 C ATOM 218 CG LEU A 16 -5.167 6.658 -0.251 1.00 0.00 C ATOM 219 CD1 LEU A 16 -4.662 6.937 -1.677 1.00 0.00 C ATOM 220 CD2 LEU A 16 -6.629 6.190 -0.322 1.00 0.00 C ATOM 0 H LEU A 16 -1.580 4.771 1.784 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.638 6.866 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.195 4.732 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.850 5.245 1.348 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.088 7.580 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.292 7.694 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.634 7.296 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.702 6.019 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.229 6.946 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.684 5.252 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.012 6.039 0.687 1.00 0.00 H new ATOM 231 N ASN A 17 -2.396 7.915 2.430 1.00 0.00 N ATOM 232 CA ASN A 17 -2.355 8.710 3.669 1.00 0.00 C ATOM 233 C ASN A 17 -3.433 9.825 3.699 1.00 0.00 C ATOM 234 O ASN A 17 -3.261 10.831 4.385 1.00 0.00 O ATOM 235 CB ASN A 17 -0.921 9.227 3.897 1.00 0.00 C ATOM 236 CG ASN A 17 -0.458 10.289 2.898 1.00 0.00 C ATOM 237 OD1 ASN A 17 -0.795 10.261 1.721 1.00 0.00 O ATOM 238 ND2 ASN A 17 0.341 11.246 3.338 1.00 0.00 N ATOM 0 H ASN A 17 -1.963 8.397 1.642 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.614 8.068 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.854 9.641 4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.234 8.382 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.678 11.964 2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.620 11.267 4.319 1.00 0.00 H new ATOM 244 N VAL A 18 -4.518 9.649 2.925 1.00 0.00 N ATOM 245 CA VAL A 18 -5.741 10.487 2.781 1.00 0.00 C ATOM 246 C VAL A 18 -5.576 11.541 1.662 1.00 0.00 C ATOM 247 O VAL A 18 -6.567 12.010 1.099 1.00 0.00 O ATOM 248 CB VAL A 18 -6.245 11.125 4.113 1.00 0.00 C ATOM 249 CG1 VAL A 18 -7.585 11.871 3.958 1.00 0.00 C ATOM 250 CG2 VAL A 18 -6.464 10.044 5.192 1.00 0.00 C ATOM 0 H VAL A 18 -4.575 8.832 2.317 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.531 9.797 2.485 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.467 11.832 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.881 12.291 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.472 12.674 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.351 11.176 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.815 10.513 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.208 9.327 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.524 9.527 5.385 1.00 0.00 H new ATOM 260 N SER A 19 -4.329 11.859 1.292 1.00 0.00 N ATOM 261 CA SER A 19 -3.944 12.807 0.224 1.00 0.00 C ATOM 262 C SER A 19 -3.207 12.156 -0.962 1.00 0.00 C ATOM 263 O SER A 19 -2.895 12.884 -1.935 1.00 0.00 O ATOM 264 CB SER A 19 -3.127 13.958 0.828 1.00 0.00 C ATOM 265 OG SER A 19 -1.978 13.472 1.510 1.00 0.00 O ATOM 266 OXT SER A 19 -3.002 10.918 -0.971 1.00 0.00 O ATOM 0 H SER A 19 -3.516 11.445 1.749 1.00 0.00 H new ATOM 0 HA SER A 19 -4.869 13.194 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.821 14.644 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.750 14.526 1.519 1.00 0.00 H new ATOM 0 HG SER A 19 -1.476 14.226 1.883 1.00 0.00 H new TER 271 SER A 19