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+ 155:sc= 0.18 (180deg=0.0764) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0984 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 X(o=0,f=0) 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 -3.840 -1.183 -9.246 1.00 0.00 N ATOM 2 CA CYS A 1 -2.707 -1.974 -9.815 1.00 0.00 C ATOM 3 C CYS A 1 -1.999 -2.799 -8.719 1.00 0.00 C ATOM 4 O CYS A 1 -2.398 -2.739 -7.552 1.00 0.00 O ATOM 5 CB CYS A 1 -1.723 -1.061 -10.601 1.00 0.00 C ATOM 6 SG CYS A 1 -2.587 -0.204 -11.960 1.00 0.00 S ATOM 0 H1 CYS A 1 -4.023 -0.355 -9.849 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.693 -1.777 -9.206 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.594 -0.865 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 1 -3.115 -2.687 -10.532 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.280 -0.329 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.906 -1.660 -11.003 1.00 0.00 H new ATOM 0 HG CYS A 1 -1.746 0.553 -12.600 1.00 0.00 H new ATOM 13 N ARG A 2 -0.954 -3.569 -9.072 1.00 0.00 N ATOM 14 CA ARG A 2 -0.111 -4.374 -8.158 1.00 0.00 C ATOM 15 C ARG A 2 -0.962 -5.424 -7.413 1.00 0.00 C ATOM 16 O ARG A 2 -1.282 -6.468 -7.982 1.00 0.00 O ATOM 17 CB ARG A 2 0.736 -3.461 -7.232 1.00 0.00 C ATOM 18 CG ARG A 2 1.768 -2.601 -7.989 1.00 0.00 C ATOM 19 CD ARG A 2 3.087 -3.325 -8.296 1.00 0.00 C ATOM 20 NE ARG A 2 3.941 -3.422 -7.094 1.00 0.00 N ATOM 21 CZ ARG A 2 5.267 -3.517 -7.064 1.00 0.00 C ATOM 22 NH1 ARG A 2 5.897 -3.505 -5.908 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.991 -3.619 -8.162 1.00 0.00 N ATOM 0 H ARG A 2 -0.658 -3.654 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 2 0.613 -4.943 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.068 -2.805 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.257 -4.081 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.325 -2.263 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.984 -1.710 -7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.875 -4.325 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.622 -2.792 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 2 3.463 -3.415 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.368 -3.423 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.914 -3.578 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.535 -3.627 -9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.007 -3.690 -8.098 1.00 0.00 H new ATOM 34 N LYS A 3 -1.362 -5.135 -6.167 1.00 0.00 N ATOM 35 CA LYS A 3 -2.236 -5.978 -5.328 1.00 0.00 C ATOM 36 C LYS A 3 -3.255 -5.142 -4.509 1.00 0.00 C ATOM 37 O LYS A 3 -3.772 -5.606 -3.490 1.00 0.00 O ATOM 38 CB LYS A 3 -1.324 -6.905 -4.478 1.00 0.00 C ATOM 39 CG LYS A 3 -1.636 -8.406 -4.638 1.00 0.00 C ATOM 40 CD LYS A 3 -2.826 -8.913 -3.797 1.00 0.00 C ATOM 41 CE LYS A 3 -2.423 -9.985 -2.768 1.00 0.00 C ATOM 42 NZ LYS A 3 -1.546 -9.448 -1.689 1.00 0.00 N ATOM 0 H LYS A 3 -1.077 -4.277 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.876 -6.606 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.285 -6.729 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.425 -6.633 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.839 -8.610 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.748 -8.978 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.281 -8.070 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.585 -9.324 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.322 -10.410 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.906 -10.797 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.306 -10.211 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.674 -9.066 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.046 -8.691 -1.180 1.00 0.00 H new ATOM 52 N ALA A 4 -3.538 -3.897 -4.929 1.00 0.00 N ATOM 53 CA ALA A 4 -4.395 -2.944 -4.206 1.00 0.00 C ATOM 54 C ALA A 4 -5.233 -2.079 -5.168 1.00 0.00 C ATOM 55 O ALA A 4 -4.740 -1.095 -5.724 1.00 0.00 O ATOM 56 CB ALA A 4 -3.487 -2.091 -3.302 1.00 0.00 C ATOM 0 H ALA A 4 -3.168 -3.518 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.120 -3.484 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.094 -1.373 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.963 -2.738 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.761 -1.558 -3.915 1.00 0.00 H new ATOM 62 N GLY A 5 -6.525 -2.402 -5.313 1.00 0.00 N ATOM 63 CA GLY A 5 -7.468 -1.693 -6.201 1.00 0.00 C ATOM 64 C GLY A 5 -7.847 -0.282 -5.731 1.00 0.00 C ATOM 65 O GLY A 5 -8.284 0.533 -6.543 1.00 0.00 O ATOM 0 H GLY A 5 -6.956 -3.177 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.029 -1.625 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.377 -2.288 -6.294 1.00 0.00 H new ATOM 69 N VAL A 6 -7.630 0.027 -4.448 1.00 0.00 N ATOM 70 CA VAL A 6 -7.812 1.375 -3.858 1.00 0.00 C ATOM 71 C VAL A 6 -6.710 2.362 -4.315 1.00 0.00 C ATOM 72 O VAL A 6 -6.876 3.574 -4.182 1.00 0.00 O ATOM 73 CB VAL A 6 -7.858 1.326 -2.304 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.483 2.603 -1.708 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.656 0.123 -1.762 1.00 0.00 C ATOM 0 H VAL A 6 -7.315 -0.664 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.773 1.737 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.816 1.233 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.496 2.528 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.893 3.470 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.503 2.715 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.651 0.145 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.684 0.176 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.198 -0.803 -2.109 1.00 0.00 H new ATOM 85 N GLY A 7 -5.589 1.862 -4.868 1.00 0.00 N ATOM 86 CA GLY A 7 -4.422 2.671 -5.261 1.00 0.00 C ATOM 87 C GLY A 7 -3.314 2.704 -4.200 1.00 0.00 C ATOM 88 O GLY A 7 -2.737 3.765 -3.961 1.00 0.00 O ATOM 0 H GLY A 7 -5.468 0.867 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.012 2.276 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.749 3.691 -5.465 1.00 0.00 H new ATOM 92 N GLN A 8 -3.037 1.554 -3.565 1.00 0.00 N ATOM 93 CA GLN A 8 -2.049 1.383 -2.480 1.00 0.00 C ATOM 94 C GLN A 8 -2.413 2.227 -1.236 1.00 0.00 C ATOM 95 O GLN A 8 -1.608 3.024 -0.741 1.00 0.00 O ATOM 96 CB GLN A 8 -0.600 1.587 -2.985 1.00 0.00 C ATOM 97 CG GLN A 8 -0.054 0.397 -3.801 1.00 0.00 C ATOM 98 CD GLN A 8 0.277 0.781 -5.245 1.00 0.00 C ATOM 99 OE1 GLN A 8 1.391 1.188 -5.568 1.00 0.00 O ATOM 100 NE2 GLN A 8 -0.655 0.689 -6.170 1.00 0.00 N ATOM 0 H GLN A 8 -3.512 0.682 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.091 0.347 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.562 2.486 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.053 1.759 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.842 0.009 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.790 -0.407 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.586 0.354 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.446 0.953 -7.133 1.00 0.00 H new HETATM 107 N SEP A 9 -3.636 2.021 -0.714 1.00 0.00 N HETATM 108 CA SEP A 9 -4.118 2.575 0.561 1.00 0.00 C HETATM 109 CB SEP A 9 -4.570 4.042 0.405 1.00 0.00 C HETATM 110 OG SEP A 9 -4.860 4.611 1.676 1.00 0.00 O HETATM 111 C SEP A 9 -5.219 1.704 1.189 1.00 0.00 C HETATM 112 O SEP A 9 -6.371 1.675 0.747 1.00 0.00 O HETATM 113 P SEP A 9 -5.290 6.170 1.865 1.00 0.00 P HETATM 114 O1P SEP A 9 -6.513 6.344 1.039 1.00 0.00 O HETATM 115 O2P SEP A 9 -5.536 6.273 3.328 1.00 0.00 O HETATM 116 O3P SEP A 9 -4.115 6.957 1.400 1.00 0.00 O HETATM 0 HB3 SEP A 9 -3.788 4.619 -0.089 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -5.453 4.091 -0.232 1.00 0.00 H new HETATM 0 HA SEP A 9 -3.276 2.565 1.253 1.00 0.00 H new ATOM 120 N TRP A 10 -4.817 0.946 2.212 1.00 0.00 N ATOM 121 CA TRP A 10 -5.648 -0.019 2.948 1.00 0.00 C ATOM 122 C TRP A 10 -5.098 -0.287 4.364 1.00 0.00 C ATOM 123 O TRP A 10 -5.614 0.236 5.352 1.00 0.00 O ATOM 124 CB TRP A 10 -5.832 -1.306 2.105 1.00 0.00 C ATOM 125 CG TRP A 10 -4.617 -1.912 1.449 1.00 0.00 C ATOM 126 CD1 TRP A 10 -4.101 -1.523 0.266 1.00 0.00 C ATOM 127 CD2 TRP A 10 -3.723 -2.983 1.910 1.00 0.00 C ATOM 128 NE1 TRP A 10 -2.996 -2.289 -0.048 1.00 0.00 N ATOM 129 CE2 TRP A 10 -2.725 -3.205 0.930 1.00 0.00 C ATOM 130 CE3 TRP A 10 -3.598 -3.721 3.092 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -1.674 -4.113 1.126 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -2.531 -4.621 3.320 1.00 0.00 C ATOM 133 CH2 TRP A 10 -1.564 -4.812 2.328 1.00 0.00 C ATOM 0 H TRP A 10 -3.862 0.987 2.568 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.638 0.410 3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.275 -2.065 2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.559 -1.089 1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.495 -0.727 -0.348 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.450 -2.184 -0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.346 -3.599 3.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.947 -4.272 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.463 -5.158 4.255 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.742 -5.493 2.491 1.00 0.00 H new ATOM 143 N LYS A 11 -4.045 -1.106 4.449 1.00 0.00 N ATOM 144 CA LYS A 11 -3.368 -1.596 5.670 1.00 0.00 C ATOM 145 C LYS A 11 -1.857 -1.861 5.405 1.00 0.00 C ATOM 146 O LYS A 11 -1.245 -2.700 6.073 1.00 0.00 O ATOM 147 CB LYS A 11 -4.040 -2.863 6.289 1.00 0.00 C ATOM 148 CG LYS A 11 -5.558 -3.105 6.120 1.00 0.00 C ATOM 149 CD LYS A 11 -5.915 -4.603 6.216 1.00 0.00 C ATOM 150 CE LYS A 11 -5.406 -5.467 5.030 1.00 0.00 C ATOM 151 NZ LYS A 11 -5.843 -6.885 5.159 1.00 0.00 N ATOM 0 H LYS A 11 -3.605 -1.476 3.606 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.470 -0.798 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.527 -3.733 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.833 -2.847 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.101 -2.552 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.883 -2.715 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.503 -5.003 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.999 -4.701 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.778 -5.055 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.318 -5.423 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.486 -7.433 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.467 -7.285 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.882 -6.928 5.174 1.00 0.00 H new ATOM 161 N GLU A 12 -1.278 -1.215 4.378 1.00 0.00 N ATOM 162 CA GLU A 12 0.064 -1.523 3.852 1.00 0.00 C ATOM 163 C GLU A 12 1.158 -1.548 4.937 1.00 0.00 C ATOM 164 O GLU A 12 1.171 -0.721 5.852 1.00 0.00 O ATOM 165 CB GLU A 12 0.486 -0.552 2.737 1.00 0.00 C ATOM 166 CG GLU A 12 -0.400 -0.668 1.493 1.00 0.00 C ATOM 167 CD GLU A 12 0.326 -0.327 0.182 1.00 0.00 C ATOM 168 OE1 GLU A 12 1.209 0.572 0.169 1.00 0.00 O ATOM 169 OE2 GLU A 12 0.021 -0.977 -0.841 1.00 0.00 O ATOM 0 H GLU A 12 -1.737 -0.451 3.882 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.026 -2.529 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.445 0.470 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.522 -0.749 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.789 -1.684 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.258 -0.005 1.606 1.00 0.00 H new ATOM 174 N ASN A 13 2.090 -2.500 4.817 1.00 0.00 N ATOM 175 CA ASN A 13 3.121 -2.759 5.834 1.00 0.00 C ATOM 176 C ASN A 13 4.273 -1.730 5.821 1.00 0.00 C ATOM 177 O ASN A 13 4.921 -1.511 6.846 1.00 0.00 O ATOM 178 CB ASN A 13 3.665 -4.186 5.646 1.00 0.00 C ATOM 179 CG ASN A 13 2.580 -5.244 5.843 1.00 0.00 C ATOM 180 OD1 ASN A 13 2.174 -5.543 6.962 1.00 0.00 O ATOM 181 ND2 ASN A 13 2.068 -5.832 4.773 1.00 0.00 N ATOM 0 H ASN A 13 2.152 -3.117 4.007 1.00 0.00 H new ATOM 0 HA ASN A 13 2.647 -2.658 6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.089 -4.283 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.475 -4.361 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.336 -6.534 4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.406 -5.583 3.843 1.00 0.00 H new ATOM 187 N SER A 14 4.540 -1.088 4.680 1.00 0.00 N ATOM 188 CA SER A 14 5.562 -0.034 4.549 1.00 0.00 C ATOM 189 C SER A 14 5.125 1.298 5.204 1.00 0.00 C ATOM 190 O SER A 14 3.927 1.606 5.214 1.00 0.00 O ATOM 191 CB SER A 14 5.873 0.235 3.064 1.00 0.00 C ATOM 192 OG SER A 14 6.268 -0.958 2.395 1.00 0.00 O ATOM 0 H SER A 14 4.049 -1.285 3.808 1.00 0.00 H new ATOM 0 HA SER A 14 6.449 -0.401 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.993 0.654 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.666 0.979 2.985 1.00 0.00 H new ATOM 0 HG SER A 14 6.457 -0.758 1.454 1.00 0.00 H new ATOM 197 N PRO A 15 6.075 2.134 5.680 1.00 0.00 N ATOM 198 CA PRO A 15 5.787 3.503 6.117 1.00 0.00 C ATOM 199 C PRO A 15 5.522 4.459 4.940 1.00 0.00 C ATOM 200 O PRO A 15 4.984 5.543 5.165 1.00 0.00 O ATOM 201 CB PRO A 15 7.024 3.929 6.916 1.00 0.00 C ATOM 202 CG PRO A 15 8.161 3.151 6.256 1.00 0.00 C ATOM 203 CD PRO A 15 7.492 1.833 5.865 1.00 0.00 C ATOM 0 HA PRO A 15 4.874 3.542 6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.188 5.005 6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.926 3.678 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.558 3.676 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.994 2.993 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.927 1.432 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.632 1.080 6.641 1.00 0.00 H new ATOM 208 N LEU A 16 5.933 4.082 3.712 1.00 0.00 N ATOM 209 CA LEU A 16 5.701 4.727 2.396 1.00 0.00 C ATOM 210 C LEU A 16 6.086 6.212 2.284 1.00 0.00 C ATOM 211 O LEU A 16 5.717 6.930 1.355 1.00 0.00 O ATOM 212 CB LEU A 16 4.296 4.399 1.889 1.00 0.00 C ATOM 213 CG LEU A 16 3.134 5.220 2.491 1.00 0.00 C ATOM 214 CD1 LEU A 16 2.374 6.008 1.413 1.00 0.00 C ATOM 215 CD2 LEU A 16 2.146 4.323 3.251 1.00 0.00 C ATOM 0 H LEU A 16 6.491 3.235 3.602 1.00 0.00 H new ATOM 0 HA LEU A 16 6.425 4.280 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.284 4.534 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.102 3.344 2.081 1.00 0.00 H new ATOM 0 HG LEU A 16 3.585 5.925 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.565 6.572 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.057 6.696 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.960 5.315 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.342 4.934 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.728 3.583 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.666 3.815 4.063 1.00 0.00 H new ATOM 226 N ASN A 17 6.842 6.631 3.283 1.00 0.00 N ATOM 227 CA ASN A 17 7.422 7.958 3.510 1.00 0.00 C ATOM 228 C ASN A 17 6.373 9.005 3.972 1.00 0.00 C ATOM 229 O ASN A 17 6.428 10.174 3.586 1.00 0.00 O ATOM 230 CB ASN A 17 8.312 8.372 2.311 1.00 0.00 C ATOM 231 CG ASN A 17 9.752 8.619 2.750 1.00 0.00 C ATOM 232 OD1 ASN A 17 10.219 9.750 2.834 1.00 0.00 O ATOM 233 ND2 ASN A 17 10.488 7.564 3.059 1.00 0.00 N ATOM 0 H ASN A 17 7.095 5.991 4.036 1.00 0.00 H new ATOM 0 HA ASN A 17 8.096 7.909 4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.290 7.590 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.910 9.275 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.452 7.688 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.092 6.627 2.986 1.00 0.00 H new ATOM 239 N VAL A 18 5.419 8.590 4.825 1.00 0.00 N ATOM 240 CA VAL A 18 4.441 9.490 5.494 1.00 0.00 C ATOM 241 C VAL A 18 5.130 10.597 6.324 1.00 0.00 C ATOM 242 O VAL A 18 4.611 11.713 6.394 1.00 0.00 O ATOM 243 CB VAL A 18 3.458 8.681 6.385 1.00 0.00 C ATOM 244 CG1 VAL A 18 2.641 9.522 7.385 1.00 0.00 C ATOM 245 CG2 VAL A 18 2.454 7.912 5.511 1.00 0.00 C ATOM 0 H VAL A 18 5.298 7.609 5.077 1.00 0.00 H new ATOM 0 HA VAL A 18 3.877 9.981 4.701 1.00 0.00 H new ATOM 0 HB VAL A 18 4.103 8.018 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.985 8.868 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.319 10.042 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.040 10.251 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.772 7.350 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.886 8.617 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.992 7.223 4.859 1.00 0.00 H new ATOM 255 N SER A 19 6.294 10.303 6.931 1.00 0.00 N ATOM 256 CA SER A 19 7.084 11.241 7.756 1.00 0.00 C ATOM 257 C SER A 19 7.512 12.509 6.996 1.00 0.00 C ATOM 258 O SER A 19 7.127 13.624 7.425 1.00 0.00 O ATOM 259 CB SER A 19 8.304 10.516 8.332 1.00 0.00 C ATOM 260 OG SER A 19 8.905 11.327 9.331 1.00 0.00 O ATOM 261 OXT SER A 19 8.219 12.399 5.966 1.00 0.00 O ATOM 0 H SER A 19 6.725 9.381 6.860 1.00 0.00 H new ATOM 0 HA SER A 19 6.437 11.581 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.005 9.558 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.022 10.303 7.540 1.00 0.00 H new ATOM 0 HG SER A 19 9.685 10.864 9.702 1.00 0.00 H new TER 266 SER A 19