USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=4 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+ 165:sc= 0.0357 (180deg=0.013) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.025 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0213 K(o=-0.021,f=-0.67) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.926) USER MOD Single : A 13 ASN : amide:sc= 0.0728 K(o=0.073,f=-2!) USER MOD Single : A 17 ASN : amide:sc= 0.878 K(o=0.88,f=-0.086) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -7.349 -2.420 -5.688 1.00 0.00 N ATOM 2 CA CYS A 1 -5.941 -2.476 -5.191 1.00 0.00 C ATOM 3 C CYS A 1 -5.745 -1.673 -3.886 1.00 0.00 C ATOM 4 O CYS A 1 -5.767 -2.276 -2.815 1.00 0.00 O ATOM 5 CB CYS A 1 -4.915 -2.120 -6.303 1.00 0.00 C ATOM 6 SG CYS A 1 -4.929 -3.403 -7.597 1.00 0.00 S ATOM 0 H1 CYS A 1 -7.382 -2.747 -6.675 1.00 0.00 H new ATOM 0 H2 CYS A 1 -7.949 -3.032 -5.100 1.00 0.00 H new ATOM 0 H3 CYS A 1 -7.697 -1.441 -5.636 1.00 0.00 H new ATOM 0 HA CYS A 1 -5.736 -3.513 -4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -5.159 -1.151 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -3.916 -2.035 -5.874 1.00 0.00 H new ATOM 0 HG CYS A 1 -4.070 -3.095 -8.523 1.00 0.00 H new ATOM 13 N ARG A 2 -5.503 -0.346 -3.948 1.00 0.00 N ATOM 14 CA ARG A 2 -5.215 0.600 -2.834 1.00 0.00 C ATOM 15 C ARG A 2 -3.835 0.406 -2.167 1.00 0.00 C ATOM 16 O ARG A 2 -3.105 1.377 -1.975 1.00 0.00 O ATOM 17 CB ARG A 2 -6.333 0.632 -1.758 1.00 0.00 C ATOM 18 CG ARG A 2 -7.363 1.758 -1.963 1.00 0.00 C ATOM 19 CD ARG A 2 -8.276 1.602 -3.186 1.00 0.00 C ATOM 20 NE ARG A 2 -9.226 0.485 -3.028 1.00 0.00 N ATOM 21 CZ ARG A 2 -10.248 0.201 -3.831 1.00 0.00 C ATOM 22 NH1 ARG A 2 -11.052 -0.798 -3.539 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.487 0.891 -4.928 1.00 0.00 N ATOM 0 H ARG A 2 -5.503 0.136 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.188 1.571 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.852 -0.327 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.875 0.746 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.987 1.823 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.829 2.704 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.829 2.528 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.667 1.437 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.086 -0.129 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.891 -1.353 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.836 -1.018 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.879 1.669 -5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.280 0.647 -5.522 1.00 0.00 H new ATOM 34 N LYS A 3 -3.475 -0.832 -1.812 1.00 0.00 N ATOM 35 CA LYS A 3 -2.298 -1.185 -0.987 1.00 0.00 C ATOM 36 C LYS A 3 -1.558 -2.453 -1.485 1.00 0.00 C ATOM 37 O LYS A 3 -1.031 -3.222 -0.680 1.00 0.00 O ATOM 38 CB LYS A 3 -2.750 -1.254 0.492 1.00 0.00 C ATOM 39 CG LYS A 3 -3.829 -2.315 0.778 1.00 0.00 C ATOM 40 CD LYS A 3 -4.196 -2.344 2.268 1.00 0.00 C ATOM 41 CE LYS A 3 -5.263 -3.419 2.525 1.00 0.00 C ATOM 42 NZ LYS A 3 -5.659 -3.480 3.957 1.00 0.00 N ATOM 0 H LYS A 3 -4.011 -1.651 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.539 -0.409 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.880 -1.460 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.131 -0.277 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.719 -2.102 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.469 -3.297 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.308 -2.551 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.569 -1.368 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.142 -3.211 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.881 -4.391 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.380 -4.218 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.826 -3.704 4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.048 -2.561 4.249 1.00 0.00 H new ATOM 52 N ALA A 4 -1.580 -2.659 -2.814 1.00 0.00 N ATOM 53 CA ALA A 4 -1.092 -3.798 -3.623 1.00 0.00 C ATOM 54 C ALA A 4 -2.221 -4.806 -3.927 1.00 0.00 C ATOM 55 O ALA A 4 -3.228 -4.865 -3.219 1.00 0.00 O ATOM 56 CB ALA A 4 0.126 -4.508 -2.995 1.00 0.00 C ATOM 0 H ALA A 4 -1.988 -1.948 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.753 -3.370 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.436 -5.334 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.948 -3.799 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.144 -4.893 -2.012 1.00 0.00 H new ATOM 62 N GLY A 5 -2.016 -5.649 -4.946 1.00 0.00 N ATOM 63 CA GLY A 5 -2.878 -6.792 -5.306 1.00 0.00 C ATOM 64 C GLY A 5 -2.300 -8.138 -4.855 1.00 0.00 C ATOM 65 O GLY A 5 -2.500 -9.146 -5.530 1.00 0.00 O ATOM 0 H GLY A 5 -1.215 -5.554 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.861 -6.655 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.021 -6.807 -6.386 1.00 0.00 H new ATOM 69 N VAL A 6 -1.554 -8.150 -3.743 1.00 0.00 N ATOM 70 CA VAL A 6 -0.734 -9.262 -3.250 1.00 0.00 C ATOM 71 C VAL A 6 -0.516 -9.039 -1.733 1.00 0.00 C ATOM 72 O VAL A 6 -1.489 -8.844 -1.004 1.00 0.00 O ATOM 73 CB VAL A 6 0.532 -9.391 -4.155 1.00 0.00 C ATOM 74 CG1 VAL A 6 1.409 -8.115 -4.220 1.00 0.00 C ATOM 75 CG2 VAL A 6 1.374 -10.644 -3.864 1.00 0.00 C ATOM 0 H VAL A 6 -1.504 -7.337 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.204 -10.243 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 6 0.116 -9.516 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.265 -8.295 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.820 -7.288 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.760 -7.863 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.236 -10.666 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.716 -10.620 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.768 -11.535 -4.025 1.00 0.00 H new ATOM 85 N GLY A 7 0.730 -9.024 -1.261 1.00 0.00 N ATOM 86 CA GLY A 7 1.155 -8.620 0.085 1.00 0.00 C ATOM 87 C GLY A 7 1.747 -7.219 -0.027 1.00 0.00 C ATOM 88 O GLY A 7 1.004 -6.240 -0.078 1.00 0.00 O ATOM 0 H GLY A 7 1.519 -9.310 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.309 -8.626 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.893 -9.318 0.481 1.00 0.00 H new ATOM 92 N GLN A 8 3.074 -7.126 -0.141 1.00 0.00 N ATOM 93 CA GLN A 8 3.790 -5.892 -0.481 1.00 0.00 C ATOM 94 C GLN A 8 4.873 -6.180 -1.556 1.00 0.00 C ATOM 95 O GLN A 8 6.059 -5.905 -1.362 1.00 0.00 O ATOM 96 CB GLN A 8 4.331 -5.163 0.774 1.00 0.00 C ATOM 97 CG GLN A 8 3.291 -4.323 1.555 1.00 0.00 C ATOM 98 CD GLN A 8 2.385 -5.116 2.509 1.00 0.00 C ATOM 99 OE1 GLN A 8 2.658 -6.241 2.918 1.00 0.00 O ATOM 100 NE2 GLN A 8 1.275 -4.546 2.938 1.00 0.00 N ATOM 0 H GLN A 8 3.695 -7.923 0.003 1.00 0.00 H new ATOM 0 HA GLN A 8 3.084 -5.189 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.754 -5.906 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.147 -4.508 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.821 -3.564 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.662 -3.797 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.023 -3.612 2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.668 -5.039 3.593 1.00 0.00 H new HETATM 107 N SEP A 9 4.441 -6.712 -2.717 1.00 0.00 N HETATM 108 CA SEP A 9 5.237 -6.871 -3.957 1.00 0.00 C HETATM 109 CB SEP A 9 5.354 -8.350 -4.379 1.00 0.00 C HETATM 110 OG SEP A 9 6.172 -9.089 -3.479 1.00 0.00 O HETATM 111 C SEP A 9 4.691 -5.982 -5.092 1.00 0.00 C HETATM 112 O SEP A 9 3.959 -6.411 -5.989 1.00 0.00 O HETATM 113 P SEP A 9 6.605 -10.632 -3.751 1.00 0.00 P HETATM 114 O1P SEP A 9 7.440 -10.962 -2.566 1.00 0.00 O HETATM 115 O2P SEP A 9 5.328 -11.392 -3.816 1.00 0.00 O HETATM 116 O3P SEP A 9 7.367 -10.600 -5.029 1.00 0.00 O HETATM 0 HB3 SEP A 9 4.361 -8.797 -4.419 1.00 0.00 H new HETATM 0 HB2 SEP A 9 5.772 -8.410 -5.384 1.00 0.00 H new HETATM 0 HA SEP A 9 6.250 -6.530 -3.742 1.00 0.00 H new ATOM 121 N TRP A 10 5.054 -4.700 -5.002 1.00 0.00 N ATOM 122 CA TRP A 10 4.553 -3.553 -5.781 1.00 0.00 C ATOM 123 C TRP A 10 5.460 -2.313 -5.564 1.00 0.00 C ATOM 124 O TRP A 10 6.636 -2.463 -5.226 1.00 0.00 O ATOM 125 CB TRP A 10 3.076 -3.291 -5.399 1.00 0.00 C ATOM 126 CG TRP A 10 2.867 -2.756 -4.013 1.00 0.00 C ATOM 127 CD1 TRP A 10 3.305 -3.342 -2.884 1.00 0.00 C ATOM 128 CD2 TRP A 10 2.187 -1.543 -3.572 1.00 0.00 C ATOM 129 NE1 TRP A 10 3.034 -2.547 -1.790 1.00 0.00 N ATOM 130 CE2 TRP A 10 2.342 -1.421 -2.161 1.00 0.00 C ATOM 131 CE3 TRP A 10 1.512 -0.500 -4.228 1.00 0.00 C ATOM 132 CZ2 TRP A 10 1.910 -0.297 -1.450 1.00 0.00 C ATOM 133 CZ3 TRP A 10 1.015 0.603 -3.504 1.00 0.00 C ATOM 134 CH2 TRP A 10 1.220 0.711 -2.125 1.00 0.00 C ATOM 0 H TRP A 10 5.763 -4.408 -4.329 1.00 0.00 H new ATOM 0 HA TRP A 10 4.588 -3.775 -6.848 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.651 -2.585 -6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.519 -4.222 -5.501 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.800 -4.301 -2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 10 3.311 -2.766 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.372 -0.544 -5.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.108 -0.210 -0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.468 1.376 -4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.847 1.569 -1.586 1.00 0.00 H new ATOM 144 N LYS A 11 4.945 -1.079 -5.718 1.00 0.00 N ATOM 145 CA LYS A 11 5.727 0.156 -5.488 1.00 0.00 C ATOM 146 C LYS A 11 6.179 0.371 -4.020 1.00 0.00 C ATOM 147 O LYS A 11 7.280 0.860 -3.773 1.00 0.00 O ATOM 148 CB LYS A 11 4.984 1.395 -6.029 1.00 0.00 C ATOM 149 CG LYS A 11 3.549 1.528 -5.506 1.00 0.00 C ATOM 150 CD LYS A 11 3.037 2.952 -5.267 1.00 0.00 C ATOM 151 CE LYS A 11 3.100 3.337 -3.773 1.00 0.00 C ATOM 152 NZ LYS A 11 2.452 4.665 -3.572 1.00 0.00 N ATOM 0 H LYS A 11 3.981 -0.907 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 11 6.649 0.019 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.544 2.290 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.962 1.348 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.881 1.040 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.475 0.977 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.632 3.655 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.009 3.034 -5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.597 2.581 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.137 3.373 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.173 4.768 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.122 5.420 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.608 4.735 -4.176 1.00 0.00 H new ATOM 162 N GLU A 12 5.307 0.033 -3.063 1.00 0.00 N ATOM 163 CA GLU A 12 5.442 0.099 -1.593 1.00 0.00 C ATOM 164 C GLU A 12 5.466 1.505 -0.956 1.00 0.00 C ATOM 165 O GLU A 12 5.064 1.637 0.201 1.00 0.00 O ATOM 166 CB GLU A 12 6.664 -0.694 -1.081 1.00 0.00 C ATOM 167 CG GLU A 12 6.653 -2.186 -1.427 1.00 0.00 C ATOM 168 CD GLU A 12 7.919 -2.859 -0.872 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.975 -3.150 0.347 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.889 -3.070 -1.643 1.00 0.00 O ATOM 0 H GLU A 12 4.391 -0.333 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 12 4.509 -0.361 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.568 -0.247 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.721 -0.587 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.765 -2.659 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.604 -2.318 -2.508 1.00 0.00 H new ATOM 175 N ASN A 13 5.925 2.548 -1.655 1.00 0.00 N ATOM 176 CA ASN A 13 6.147 3.889 -1.087 1.00 0.00 C ATOM 177 C ASN A 13 4.846 4.693 -0.824 1.00 0.00 C ATOM 178 O ASN A 13 4.495 5.587 -1.596 1.00 0.00 O ATOM 179 CB ASN A 13 7.190 4.648 -1.936 1.00 0.00 C ATOM 180 CG ASN A 13 6.791 4.863 -3.399 1.00 0.00 C ATOM 181 OD1 ASN A 13 6.720 3.926 -4.182 1.00 0.00 O ATOM 182 ND2 ASN A 13 6.523 6.089 -3.818 1.00 0.00 N ATOM 0 H ASN A 13 6.157 2.487 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 13 6.557 3.759 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.374 5.620 -1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.131 4.099 -1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.259 6.249 -4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.581 6.874 -3.169 1.00 0.00 H new HETATM 188 N SEP A 14 4.132 4.342 0.259 1.00 0.00 N HETATM 189 CA SEP A 14 2.976 5.034 0.886 1.00 0.00 C HETATM 190 CB SEP A 14 3.262 6.540 1.057 1.00 0.00 C HETATM 191 OG SEP A 14 2.272 7.153 1.866 1.00 0.00 O HETATM 192 C SEP A 14 1.643 4.782 0.133 1.00 0.00 C HETATM 193 O SEP A 14 1.505 5.240 -1.009 1.00 0.00 O HETATM 194 P SEP A 14 2.389 8.698 2.361 1.00 0.00 P HETATM 195 O1P SEP A 14 1.080 8.926 3.029 1.00 0.00 O HETATM 196 O2P SEP A 14 3.550 8.712 3.290 1.00 0.00 O HETATM 197 O3P SEP A 14 2.584 9.500 1.123 1.00 0.00 O HETATM 0 HB3 SEP A 14 4.244 6.679 1.509 1.00 0.00 H new HETATM 0 HB2 SEP A 14 3.289 7.023 0.080 1.00 0.00 H new HETATM 0 HA SEP A 14 2.846 4.600 1.878 1.00 0.00 H new ATOM 202 N PRO A 15 0.678 4.016 0.695 1.00 0.00 N ATOM 203 CA PRO A 15 -0.517 3.580 -0.032 1.00 0.00 C ATOM 204 C PRO A 15 -1.572 4.687 -0.182 1.00 0.00 C ATOM 205 O PRO A 15 -1.938 5.014 -1.311 1.00 0.00 O ATOM 206 CB PRO A 15 -1.048 2.362 0.738 1.00 0.00 C ATOM 207 CG PRO A 15 -0.546 2.571 2.165 1.00 0.00 C ATOM 208 CD PRO A 15 0.782 3.300 1.963 1.00 0.00 C ATOM 0 HA PRO A 15 -0.269 3.323 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.136 2.312 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.672 1.430 0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.245 3.163 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.410 1.624 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.973 3.992 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.612 2.594 1.942 1.00 0.00 H new ATOM 213 N LEU A 16 -2.057 5.266 0.930 1.00 0.00 N ATOM 214 CA LEU A 16 -3.154 6.248 0.936 1.00 0.00 C ATOM 215 C LEU A 16 -3.239 7.000 2.273 1.00 0.00 C ATOM 216 O LEU A 16 -3.170 8.227 2.290 1.00 0.00 O ATOM 217 CB LEU A 16 -4.485 5.529 0.601 1.00 0.00 C ATOM 218 CG LEU A 16 -5.690 6.468 0.392 1.00 0.00 C ATOM 219 CD1 LEU A 16 -5.484 7.452 -0.769 1.00 0.00 C ATOM 220 CD2 LEU A 16 -6.942 5.620 0.119 1.00 0.00 C ATOM 0 H LEU A 16 -1.693 5.062 1.861 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.955 7.001 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.344 4.935 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.719 4.833 1.407 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.805 7.060 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.364 8.087 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.610 8.072 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.331 6.896 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.800 6.275 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.785 5.018 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.130 4.964 0.969 1.00 0.00 H new ATOM 231 N ASN A 17 -3.382 6.261 3.385 1.00 0.00 N ATOM 232 CA ASN A 17 -3.307 6.764 4.767 1.00 0.00 C ATOM 233 C ASN A 17 -4.444 7.760 5.084 1.00 0.00 C ATOM 234 O ASN A 17 -4.213 8.902 5.490 1.00 0.00 O ATOM 235 CB ASN A 17 -1.889 7.283 5.085 1.00 0.00 C ATOM 236 CG ASN A 17 -0.837 6.188 4.924 1.00 0.00 C ATOM 237 OD1 ASN A 17 -0.971 5.089 5.452 1.00 0.00 O ATOM 238 ND2 ASN A 17 0.228 6.435 4.184 1.00 0.00 N ATOM 0 H ASN A 17 -3.560 5.257 3.345 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.478 5.933 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.650 8.117 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.862 7.666 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.936 5.713 4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.342 7.348 3.744 1.00 0.00 H new ATOM 244 N VAL A 18 -5.690 7.308 4.871 1.00 0.00 N ATOM 245 CA VAL A 18 -6.919 8.090 5.158 1.00 0.00 C ATOM 246 C VAL A 18 -7.021 8.431 6.659 1.00 0.00 C ATOM 247 O VAL A 18 -7.362 9.565 7.005 1.00 0.00 O ATOM 248 CB VAL A 18 -8.206 7.350 4.707 1.00 0.00 C ATOM 249 CG1 VAL A 18 -9.478 8.177 4.962 1.00 0.00 C ATOM 250 CG2 VAL A 18 -8.159 6.997 3.210 1.00 0.00 C ATOM 0 H VAL A 18 -5.882 6.381 4.491 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.839 9.012 4.582 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.245 6.440 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.350 7.615 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.567 8.388 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.419 9.115 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.076 6.480 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.064 7.911 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.304 6.350 3.015 1.00 0.00 H new ATOM 260 N SER A 19 -6.695 7.462 7.529 1.00 0.00 N ATOM 261 CA SER A 19 -6.631 7.586 9.004 1.00 0.00 C ATOM 262 C SER A 19 -7.953 8.071 9.631 1.00 0.00 C ATOM 263 O SER A 19 -8.008 9.175 10.221 1.00 0.00 O ATOM 264 CB SER A 19 -5.429 8.446 9.423 1.00 0.00 C ATOM 265 OG SER A 19 -4.226 7.824 8.984 1.00 0.00 O ATOM 266 OXT SER A 19 -8.947 7.313 9.550 1.00 0.00 O ATOM 0 H SER A 19 -6.456 6.522 7.213 1.00 0.00 H new ATOM 0 HA SER A 19 -6.481 6.583 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.514 9.444 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.414 8.567 10.506 1.00 0.00 H new ATOM 0 HG SER A 19 -3.458 8.373 9.249 1.00 0.00 H new TER 271 SER A 19