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+ 169:sc= 0.971 (180deg=0.837) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 2.28 (180deg=2.21) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.269 K(o=-0.27,f=-0.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.532 -9.465 -0.474 1.00 0.00 N ATOM 2 CA CYS A 1 -3.785 -8.932 0.895 1.00 0.00 C ATOM 3 C CYS A 1 -4.731 -7.707 0.828 1.00 0.00 C ATOM 4 O CYS A 1 -5.575 -7.641 -0.068 1.00 0.00 O ATOM 5 CB CYS A 1 -2.449 -8.674 1.647 1.00 0.00 C ATOM 6 SG CYS A 1 -1.439 -10.191 1.695 1.00 0.00 S ATOM 0 H1 CYS A 1 -2.759 -10.160 -0.439 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.394 -9.924 -0.833 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.266 -8.684 -1.107 1.00 0.00 H new ATOM 0 HA CYS A 1 -4.307 -9.680 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.895 -7.877 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.656 -8.336 2.662 1.00 0.00 H new ATOM 0 HG CYS A 1 -0.327 -9.952 2.325 1.00 0.00 H new ATOM 13 N ARG A 2 -4.628 -6.743 1.763 1.00 0.00 N ATOM 14 CA ARG A 2 -5.540 -5.587 1.870 1.00 0.00 C ATOM 15 C ARG A 2 -5.195 -4.459 0.880 1.00 0.00 C ATOM 16 O ARG A 2 -6.051 -4.011 0.119 1.00 0.00 O ATOM 17 CB ARG A 2 -5.529 -5.099 3.333 1.00 0.00 C ATOM 18 CG ARG A 2 -6.605 -4.042 3.625 1.00 0.00 C ATOM 19 CD ARG A 2 -6.587 -3.658 5.111 1.00 0.00 C ATOM 20 NE ARG A 2 -7.660 -2.700 5.433 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.936 -2.207 6.637 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.947 -1.379 6.788 1.00 0.00 N ATOM 23 NH2 ARG A 2 -7.225 -2.521 7.703 1.00 0.00 N ATOM 0 H ARG A 2 -3.898 -6.745 2.476 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.546 -5.902 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.677 -5.952 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.548 -4.683 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.431 -3.158 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.587 -4.429 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.702 -4.554 5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.620 -3.222 5.364 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.246 -2.386 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.516 -1.117 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.162 -0.999 7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.435 -3.161 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.465 -2.124 8.611 1.00 0.00 H new ATOM 34 N LYS A 3 -3.939 -3.991 0.900 1.00 0.00 N ATOM 35 CA LYS A 3 -3.477 -2.813 0.138 1.00 0.00 C ATOM 36 C LYS A 3 -2.918 -3.189 -1.248 1.00 0.00 C ATOM 37 O LYS A 3 -3.203 -2.513 -2.240 1.00 0.00 O ATOM 38 CB LYS A 3 -2.421 -2.077 0.986 1.00 0.00 C ATOM 39 CG LYS A 3 -3.011 -1.514 2.292 1.00 0.00 C ATOM 40 CD LYS A 3 -1.907 -1.059 3.259 1.00 0.00 C ATOM 41 CE LYS A 3 -2.532 -0.614 4.589 1.00 0.00 C ATOM 42 NZ LYS A 3 -1.509 -0.451 5.661 1.00 0.00 N ATOM 0 H LYS A 3 -3.200 -4.425 1.454 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.328 -2.160 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.607 -2.762 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.993 -1.262 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.665 -0.673 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.626 -2.275 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.204 -1.874 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.342 -0.237 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.059 0.329 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.274 -1.348 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.974 -0.150 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.023 -1.357 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.815 0.268 5.372 1.00 0.00 H new ATOM 52 N ALA A 4 -2.162 -4.291 -1.314 1.00 0.00 N ATOM 53 CA ALA A 4 -1.647 -4.911 -2.540 1.00 0.00 C ATOM 54 C ALA A 4 -2.258 -6.311 -2.738 1.00 0.00 C ATOM 55 O ALA A 4 -2.624 -6.975 -1.763 1.00 0.00 O ATOM 56 CB ALA A 4 -0.123 -4.997 -2.428 1.00 0.00 C ATOM 0 H ALA A 4 -1.880 -4.798 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.922 -4.309 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.283 -5.456 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.290 -3.995 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.145 -5.602 -1.562 1.00 0.00 H new ATOM 62 N GLY A 5 -2.298 -6.806 -3.981 1.00 0.00 N ATOM 63 CA GLY A 5 -2.778 -8.164 -4.291 1.00 0.00 C ATOM 64 C GLY A 5 -1.793 -9.248 -3.846 1.00 0.00 C ATOM 65 O GLY A 5 -2.183 -10.199 -3.169 1.00 0.00 O ATOM 0 H GLY A 5 -1.999 -6.279 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.738 -8.327 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.948 -8.250 -5.364 1.00 0.00 H new ATOM 69 N VAL A 6 -0.513 -9.078 -4.189 1.00 0.00 N ATOM 70 CA VAL A 6 0.562 -10.075 -3.974 1.00 0.00 C ATOM 71 C VAL A 6 1.059 -10.168 -2.522 1.00 0.00 C ATOM 72 O VAL A 6 1.318 -11.257 -2.013 1.00 0.00 O ATOM 73 CB VAL A 6 1.744 -9.760 -4.919 1.00 0.00 C ATOM 74 CG1 VAL A 6 2.564 -8.509 -4.558 1.00 0.00 C ATOM 75 CG2 VAL A 6 2.672 -10.971 -5.101 1.00 0.00 C ATOM 0 H VAL A 6 -0.178 -8.225 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 6 0.129 -11.050 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 6 1.259 -9.527 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.367 -8.379 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.916 -7.633 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.990 -8.628 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.489 -10.706 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.079 -11.266 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.108 -11.801 -5.526 1.00 0.00 H new ATOM 85 N GLY A 7 1.201 -9.007 -1.879 1.00 0.00 N ATOM 86 CA GLY A 7 1.856 -8.836 -0.572 1.00 0.00 C ATOM 87 C GLY A 7 2.426 -7.428 -0.414 1.00 0.00 C ATOM 88 O GLY A 7 1.707 -6.532 0.024 1.00 0.00 O ATOM 0 H GLY A 7 0.853 -8.128 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.138 -9.031 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.656 -9.568 -0.466 1.00 0.00 H new ATOM 92 N GLN A 8 3.684 -7.213 -0.822 1.00 0.00 N ATOM 93 CA GLN A 8 4.295 -5.880 -0.935 1.00 0.00 C ATOM 94 C GLN A 8 5.211 -5.745 -2.180 1.00 0.00 C ATOM 95 O GLN A 8 6.404 -5.446 -2.070 1.00 0.00 O ATOM 96 CB GLN A 8 4.973 -5.407 0.376 1.00 0.00 C ATOM 97 CG GLN A 8 4.027 -4.853 1.468 1.00 0.00 C ATOM 98 CD GLN A 8 3.797 -5.828 2.634 1.00 0.00 C ATOM 99 OE1 GLN A 8 3.573 -7.026 2.474 1.00 0.00 O ATOM 100 NE2 GLN A 8 3.882 -5.372 3.868 1.00 0.00 N ATOM 0 H GLN A 8 4.315 -7.970 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 8 3.470 -5.187 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.529 -6.245 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.700 -4.634 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.441 -3.924 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.066 -4.608 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.067 -4.383 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.763 -6.008 4.656 1.00 0.00 H new HETATM 107 N SEP A 9 4.638 -5.969 -3.375 1.00 0.00 N HETATM 108 CA SEP A 9 5.237 -5.655 -4.687 1.00 0.00 C HETATM 109 CB SEP A 9 5.948 -6.867 -5.320 1.00 0.00 C HETATM 110 OG SEP A 9 6.645 -6.473 -6.495 1.00 0.00 O HETATM 111 C SEP A 9 4.190 -4.989 -5.605 1.00 0.00 C HETATM 112 O SEP A 9 3.394 -5.638 -6.295 1.00 0.00 O HETATM 113 P SEP A 9 7.503 -7.520 -7.399 1.00 0.00 P HETATM 114 O1P SEP A 9 6.518 -8.537 -7.859 1.00 0.00 O HETATM 115 O2P SEP A 9 8.029 -6.660 -8.493 1.00 0.00 O HETATM 116 O3P SEP A 9 8.556 -8.047 -6.492 1.00 0.00 O HETATM 0 HB3 SEP A 9 6.645 -7.303 -4.604 1.00 0.00 H new HETATM 0 HB2 SEP A 9 5.218 -7.639 -5.564 1.00 0.00 H new HETATM 0 HA SEP A 9 6.035 -4.928 -4.538 1.00 0.00 H new ATOM 121 N TRP A 10 4.152 -3.657 -5.522 1.00 0.00 N ATOM 122 CA TRP A 10 3.154 -2.736 -6.086 1.00 0.00 C ATOM 123 C TRP A 10 3.766 -1.318 -6.176 1.00 0.00 C ATOM 124 O TRP A 10 4.578 -1.068 -7.073 1.00 0.00 O ATOM 125 CB TRP A 10 1.825 -2.814 -5.290 1.00 0.00 C ATOM 126 CG TRP A 10 1.889 -2.530 -3.812 1.00 0.00 C ATOM 127 CD1 TRP A 10 2.604 -3.246 -2.923 1.00 0.00 C ATOM 128 CD2 TRP A 10 1.213 -1.511 -3.009 1.00 0.00 C ATOM 129 NE1 TRP A 10 2.497 -2.710 -1.660 1.00 0.00 N ATOM 130 CE2 TRP A 10 1.630 -1.653 -1.653 1.00 0.00 C ATOM 131 CE3 TRP A 10 0.318 -0.459 -3.282 1.00 0.00 C ATOM 132 CZ2 TRP A 10 1.199 -0.811 -0.630 1.00 0.00 C ATOM 133 CZ3 TRP A 10 -0.150 0.377 -2.246 1.00 0.00 C ATOM 134 CH2 TRP A 10 0.282 0.201 -0.923 1.00 0.00 C ATOM 0 H TRP A 10 4.878 -3.149 -5.017 1.00 0.00 H new ATOM 0 HA TRP A 10 2.890 -3.027 -7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 10 1.121 -2.113 -5.738 1.00 0.00 H new ATOM 0 HB3 TRP A 10 1.409 -3.813 -5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.184 -4.123 -3.169 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.997 -3.055 -0.840 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.014 -0.290 -4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.569 -0.939 0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.852 1.165 -2.475 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.091 0.842 -0.138 1.00 0.00 H new ATOM 144 N LYS A 11 3.397 -0.392 -5.274 1.00 0.00 N ATOM 145 CA LYS A 11 4.048 0.923 -5.103 1.00 0.00 C ATOM 146 C LYS A 11 4.713 1.136 -3.714 1.00 0.00 C ATOM 147 O LYS A 11 5.711 1.856 -3.624 1.00 0.00 O ATOM 148 CB LYS A 11 3.057 2.041 -5.499 1.00 0.00 C ATOM 149 CG LYS A 11 1.932 2.273 -4.481 1.00 0.00 C ATOM 150 CD LYS A 11 2.198 3.443 -3.531 1.00 0.00 C ATOM 151 CE LYS A 11 1.469 3.236 -2.194 1.00 0.00 C ATOM 152 NZ LYS A 11 1.859 4.298 -1.237 1.00 0.00 N ATOM 0 H LYS A 11 2.621 -0.538 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 11 4.900 0.962 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.610 2.971 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.614 1.794 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.000 2.455 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.790 1.365 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.270 3.538 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.866 4.374 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.391 3.254 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.715 2.257 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.402 4.123 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.892 4.294 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.557 5.223 -1.603 1.00 0.00 H new ATOM 162 N GLU A 12 4.173 0.506 -2.657 1.00 0.00 N ATOM 163 CA GLU A 12 4.615 0.517 -1.245 1.00 0.00 C ATOM 164 C GLU A 12 4.604 1.896 -0.541 1.00 0.00 C ATOM 165 O GLU A 12 4.327 2.926 -1.150 1.00 0.00 O ATOM 166 CB GLU A 12 5.997 -0.157 -1.059 1.00 0.00 C ATOM 167 CG GLU A 12 6.104 -1.607 -1.548 1.00 0.00 C ATOM 168 CD GLU A 12 6.679 -1.698 -2.970 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.915 -1.544 -3.133 1.00 0.00 O ATOM 170 OE2 GLU A 12 5.905 -1.919 -3.928 1.00 0.00 O ATOM 0 H GLU A 12 3.344 -0.076 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 12 3.845 -0.071 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.744 0.439 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.253 -0.131 0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.737 -2.173 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.117 -2.070 -1.526 1.00 0.00 H new ATOM 175 N ASN A 13 4.892 1.906 0.770 1.00 0.00 N ATOM 176 CA ASN A 13 4.996 3.086 1.646 1.00 0.00 C ATOM 177 C ASN A 13 3.610 3.722 1.900 1.00 0.00 C ATOM 178 O ASN A 13 3.255 4.733 1.283 1.00 0.00 O ATOM 179 CB ASN A 13 6.061 4.074 1.124 1.00 0.00 C ATOM 180 CG ASN A 13 6.398 5.154 2.148 1.00 0.00 C ATOM 181 OD1 ASN A 13 7.201 4.948 3.051 1.00 0.00 O ATOM 182 ND2 ASN A 13 5.805 6.331 2.043 1.00 0.00 N ATOM 0 H ASN A 13 5.069 1.039 1.278 1.00 0.00 H new ATOM 0 HA ASN A 13 5.350 2.766 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.967 3.526 0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.701 4.544 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.015 7.070 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.137 6.500 1.291 1.00 0.00 H new HETATM 188 N SEP A 14 2.821 3.070 2.773 1.00 0.00 N HETATM 189 CA SEP A 14 1.445 3.444 3.206 1.00 0.00 C HETATM 190 CB SEP A 14 1.420 4.881 3.782 1.00 0.00 C HETATM 191 OG SEP A 14 1.295 4.914 5.203 1.00 0.00 O HETATM 192 C SEP A 14 0.382 3.222 2.098 1.00 0.00 C HETATM 193 O SEP A 14 0.764 3.019 0.942 1.00 0.00 O HETATM 194 P SEP A 14 2.542 4.727 6.243 1.00 0.00 P HETATM 195 O1P SEP A 14 3.558 5.733 5.832 1.00 0.00 O HETATM 196 O2P SEP A 14 1.914 5.022 7.559 1.00 0.00 O HETATM 197 O3P SEP A 14 2.977 3.311 6.102 1.00 0.00 O HETATM 0 HB3 SEP A 14 2.335 5.398 3.492 1.00 0.00 H new HETATM 0 HB2 SEP A 14 0.589 5.429 3.338 1.00 0.00 H new HETATM 0 HA SEP A 14 1.163 2.765 4.011 1.00 0.00 H new ATOM 202 N PRO A 15 -0.940 3.217 2.384 1.00 0.00 N ATOM 203 CA PRO A 15 -1.963 2.849 1.395 1.00 0.00 C ATOM 204 C PRO A 15 -2.129 3.867 0.253 1.00 0.00 C ATOM 205 O PRO A 15 -2.561 3.479 -0.833 1.00 0.00 O ATOM 206 CB PRO A 15 -3.258 2.667 2.195 1.00 0.00 C ATOM 207 CG PRO A 15 -3.056 3.555 3.422 1.00 0.00 C ATOM 208 CD PRO A 15 -1.557 3.442 3.685 1.00 0.00 C ATOM 0 HA PRO A 15 -1.668 1.938 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.131 2.974 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.412 1.625 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.355 4.585 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.642 3.207 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.172 4.350 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.341 2.620 4.367 1.00 0.00 H new ATOM 213 N LEU A 16 -1.752 5.138 0.461 1.00 0.00 N ATOM 214 CA LEU A 16 -1.695 6.163 -0.590 1.00 0.00 C ATOM 215 C LEU A 16 -0.482 7.086 -0.400 1.00 0.00 C ATOM 216 O LEU A 16 0.543 6.850 -1.037 1.00 0.00 O ATOM 217 CB LEU A 16 -3.046 6.905 -0.773 1.00 0.00 C ATOM 218 CG LEU A 16 -3.845 7.319 0.488 1.00 0.00 C ATOM 219 CD1 LEU A 16 -4.616 8.621 0.220 1.00 0.00 C ATOM 220 CD2 LEU A 16 -4.860 6.244 0.909 1.00 0.00 C ATOM 0 H LEU A 16 -1.474 5.487 1.378 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.537 5.659 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.851 7.808 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.692 6.270 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.119 7.453 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.174 8.903 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.913 9.414 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.308 8.470 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.396 6.578 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.569 6.076 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.335 5.315 1.130 1.00 0.00 H new ATOM 231 N ASN A 17 -0.588 8.094 0.476 1.00 0.00 N ATOM 232 CA ASN A 17 0.441 9.105 0.804 1.00 0.00 C ATOM 233 C ASN A 17 -0.085 10.145 1.817 1.00 0.00 C ATOM 234 O ASN A 17 0.563 10.396 2.834 1.00 0.00 O ATOM 235 CB ASN A 17 0.958 9.828 -0.466 1.00 0.00 C ATOM 236 CG ASN A 17 2.255 9.259 -1.048 1.00 0.00 C ATOM 237 OD1 ASN A 17 3.153 8.816 -0.339 1.00 0.00 O ATOM 238 ND2 ASN A 17 2.410 9.292 -2.362 1.00 0.00 N ATOM 0 H ASN A 17 -1.445 8.239 1.010 1.00 0.00 H new ATOM 0 HA ASN A 17 1.272 8.565 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.183 9.785 -1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.114 10.880 -0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.274 8.950 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.665 9.660 -2.954 1.00 0.00 H new ATOM 244 N VAL A 18 -1.253 10.752 1.545 1.00 0.00 N ATOM 245 CA VAL A 18 -1.827 11.838 2.379 1.00 0.00 C ATOM 246 C VAL A 18 -2.396 11.297 3.704 1.00 0.00 C ATOM 247 O VAL A 18 -2.134 11.871 4.762 1.00 0.00 O ATOM 248 CB VAL A 18 -2.917 12.635 1.615 1.00 0.00 C ATOM 249 CG1 VAL A 18 -3.590 13.713 2.484 1.00 0.00 C ATOM 250 CG2 VAL A 18 -2.327 13.322 0.370 1.00 0.00 C ATOM 0 H VAL A 18 -1.831 10.508 0.741 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.008 12.518 2.611 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.670 11.901 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.343 14.237 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.065 13.242 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.839 14.424 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.112 13.874 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.539 14.011 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.912 12.568 -0.299 1.00 0.00 H new ATOM 260 N SER A 19 -3.160 10.195 3.644 1.00 0.00 N ATOM 261 CA SER A 19 -3.788 9.531 4.804 1.00 0.00 C ATOM 262 C SER A 19 -3.005 8.288 5.244 1.00 0.00 C ATOM 263 O SER A 19 -2.580 8.237 6.423 1.00 0.00 O ATOM 264 CB SER A 19 -5.240 9.179 4.470 1.00 0.00 C ATOM 265 OG SER A 19 -5.921 8.833 5.667 1.00 0.00 O ATOM 266 OXT SER A 19 -2.783 7.384 4.403 1.00 0.00 O ATOM 0 H SER A 19 -3.366 9.725 2.762 1.00 0.00 H new ATOM 0 HA SER A 19 -3.773 10.224 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.731 10.025 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.273 8.348 3.765 1.00 0.00 H new ATOM 0 HG SER A 19 -6.852 8.608 5.460 1.00 0.00 H new TER 271 SER A 19