USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 118 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 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+ 166:sc= 0.0403 (180deg=0.0179) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0397 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.483 (180deg=0.322) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.0573 K(o=0.057,f=-3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.427 -1.338 3.037 1.00 0.00 N ATOM 2 CA CYS A 1 3.421 -0.520 3.780 1.00 0.00 C ATOM 3 C CYS A 1 4.084 0.417 4.813 1.00 0.00 C ATOM 4 O CYS A 1 4.436 1.540 4.457 1.00 0.00 O ATOM 5 CB CYS A 1 2.281 -1.396 4.371 1.00 0.00 C ATOM 6 SG CYS A 1 1.302 -2.137 3.025 1.00 0.00 S ATOM 0 H1 CYS A 1 3.944 -2.110 2.534 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.925 -0.736 2.351 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.113 -1.738 3.708 1.00 0.00 H new ATOM 0 HA CYS A 1 2.938 0.139 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.703 -2.181 4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.638 -0.789 5.008 1.00 0.00 H new ATOM 0 HG CYS A 1 0.354 -2.869 3.530 1.00 0.00 H new ATOM 13 N ARG A 2 4.288 -0.022 6.070 1.00 0.00 N ATOM 14 CA ARG A 2 4.709 0.809 7.229 1.00 0.00 C ATOM 15 C ARG A 2 5.995 1.634 7.007 1.00 0.00 C ATOM 16 O ARG A 2 6.141 2.719 7.569 1.00 0.00 O ATOM 17 CB ARG A 2 4.840 -0.119 8.463 1.00 0.00 C ATOM 18 CG ARG A 2 4.373 0.469 9.807 1.00 0.00 C ATOM 19 CD ARG A 2 5.247 1.587 10.387 1.00 0.00 C ATOM 20 NE ARG A 2 4.876 1.877 11.784 1.00 0.00 N ATOM 21 CZ ARG A 2 5.527 2.672 12.627 1.00 0.00 C ATOM 22 NH1 ARG A 2 5.079 2.823 13.856 1.00 0.00 N ATOM 23 NH2 ARG A 2 6.617 3.326 12.278 1.00 0.00 N ATOM 0 H ARG A 2 4.161 -1.002 6.322 1.00 0.00 H new ATOM 0 HA ARG A 2 3.939 1.565 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.270 -1.028 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.885 -0.412 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.361 0.853 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.319 -0.339 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.296 1.295 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.139 2.488 9.784 1.00 0.00 H new ATOM 0 HE ARG A 2 4.035 1.422 12.139 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.237 2.331 14.156 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.574 3.432 14.508 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.988 3.231 11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.089 3.927 12.953 1.00 0.00 H new ATOM 34 N LYS A 3 6.924 1.153 6.170 1.00 0.00 N ATOM 35 CA LYS A 3 8.184 1.846 5.839 1.00 0.00 C ATOM 36 C LYS A 3 7.980 3.186 5.091 1.00 0.00 C ATOM 37 O LYS A 3 8.809 4.092 5.216 1.00 0.00 O ATOM 38 CB LYS A 3 9.059 0.854 5.044 1.00 0.00 C ATOM 39 CG LYS A 3 10.518 1.319 4.895 1.00 0.00 C ATOM 40 CD LYS A 3 11.365 0.252 4.181 1.00 0.00 C ATOM 41 CE LYS A 3 12.861 0.611 4.133 1.00 0.00 C ATOM 42 NZ LYS A 3 13.151 1.780 3.257 1.00 0.00 N ATOM 0 H LYS A 3 6.823 0.257 5.694 1.00 0.00 H new ATOM 0 HA LYS A 3 8.683 2.140 6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.042 -0.115 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.627 0.711 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.551 2.252 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.940 1.526 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.242 -0.704 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.995 0.121 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.210 0.825 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.425 -0.251 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.173 1.974 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.845 1.570 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.638 2.613 3.609 1.00 0.00 H new ATOM 52 N ALA A 4 6.881 3.334 4.337 1.00 0.00 N ATOM 53 CA ALA A 4 6.525 4.555 3.604 1.00 0.00 C ATOM 54 C ALA A 4 5.594 5.467 4.426 1.00 0.00 C ATOM 55 O ALA A 4 4.634 4.996 5.045 1.00 0.00 O ATOM 56 CB ALA A 4 5.870 4.145 2.275 1.00 0.00 C ATOM 0 H ALA A 4 6.197 2.586 4.218 1.00 0.00 H new ATOM 0 HA ALA A 4 7.427 5.135 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.597 5.038 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.572 3.550 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.975 3.556 2.477 1.00 0.00 H new ATOM 62 N GLY A 5 5.804 6.787 4.361 1.00 0.00 N ATOM 63 CA GLY A 5 4.983 7.815 5.030 1.00 0.00 C ATOM 64 C GLY A 5 3.653 8.067 4.311 1.00 0.00 C ATOM 65 O GLY A 5 3.365 9.201 3.930 1.00 0.00 O ATOM 0 H GLY A 5 6.574 7.187 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.784 7.505 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.546 8.747 5.082 1.00 0.00 H new ATOM 69 N VAL A 6 2.881 6.999 4.088 1.00 0.00 N ATOM 70 CA VAL A 6 1.670 6.970 3.235 1.00 0.00 C ATOM 71 C VAL A 6 0.563 6.091 3.846 1.00 0.00 C ATOM 72 O VAL A 6 -0.571 6.550 3.990 1.00 0.00 O ATOM 73 CB VAL A 6 2.012 6.476 1.801 1.00 0.00 C ATOM 74 CG1 VAL A 6 0.772 6.471 0.889 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.101 7.321 1.119 1.00 0.00 C ATOM 0 H VAL A 6 3.083 6.092 4.509 1.00 0.00 H new ATOM 0 HA VAL A 6 1.295 7.992 3.176 1.00 0.00 H new ATOM 0 HB VAL A 6 2.385 5.461 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.052 6.120 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.015 5.808 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.370 7.481 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.296 6.927 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.764 8.355 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.016 7.281 1.710 1.00 0.00 H new ATOM 85 N GLY A 7 0.864 4.828 4.191 1.00 0.00 N ATOM 86 CA GLY A 7 -0.085 3.860 4.772 1.00 0.00 C ATOM 87 C GLY A 7 -0.866 3.094 3.700 1.00 0.00 C ATOM 88 O GLY A 7 -0.794 1.869 3.651 1.00 0.00 O ATOM 0 H GLY A 7 1.800 4.440 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.459 3.152 5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.785 4.386 5.421 1.00 0.00 H new ATOM 92 N GLN A 8 -1.561 3.834 2.828 1.00 0.00 N ATOM 93 CA GLN A 8 -2.283 3.399 1.619 1.00 0.00 C ATOM 94 C GLN A 8 -2.912 4.631 0.926 1.00 0.00 C ATOM 95 O GLN A 8 -3.908 5.173 1.397 1.00 0.00 O ATOM 96 CB GLN A 8 -3.334 2.293 1.918 1.00 0.00 C ATOM 97 CG GLN A 8 -2.893 0.847 1.586 1.00 0.00 C ATOM 98 CD GLN A 8 -3.430 -0.168 2.599 1.00 0.00 C ATOM 99 OE1 GLN A 8 -4.432 -0.841 2.380 1.00 0.00 O ATOM 100 NE2 GLN A 8 -2.790 -0.311 3.742 1.00 0.00 N ATOM 0 H GLN A 8 -1.642 4.842 2.959 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.567 2.940 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.595 2.341 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.240 2.516 1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.243 0.582 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.804 0.796 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.956 0.244 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.129 -0.977 4.436 1.00 0.00 H new ATOM 107 N SER A 9 -2.330 5.080 -0.199 1.00 0.00 N ATOM 108 CA SER A 9 -2.849 6.178 -1.053 1.00 0.00 C ATOM 109 C SER A 9 -2.291 6.095 -2.503 1.00 0.00 C ATOM 110 O SER A 9 -2.184 7.086 -3.231 1.00 0.00 O ATOM 111 CB SER A 9 -2.550 7.536 -0.387 1.00 0.00 C ATOM 112 OG SER A 9 -3.450 8.551 -0.823 1.00 0.00 O ATOM 0 H SER A 9 -1.461 4.682 -0.555 1.00 0.00 H new ATOM 0 HA SER A 9 -3.930 6.073 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.617 7.432 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.527 7.835 -0.616 1.00 0.00 H new ATOM 0 HG SER A 9 -3.230 9.396 -0.378 1.00 0.00 H new ATOM 118 N TRP A 10 -1.880 4.887 -2.917 1.00 0.00 N ATOM 119 CA TRP A 10 -1.124 4.575 -4.146 1.00 0.00 C ATOM 120 C TRP A 10 -1.998 4.162 -5.361 1.00 0.00 C ATOM 121 O TRP A 10 -1.508 4.125 -6.488 1.00 0.00 O ATOM 122 CB TRP A 10 -0.146 3.453 -3.750 1.00 0.00 C ATOM 123 CG TRP A 10 -0.818 2.239 -3.177 1.00 0.00 C ATOM 124 CD1 TRP A 10 -1.070 1.995 -1.871 1.00 0.00 C ATOM 125 CD2 TRP A 10 -1.337 1.080 -3.881 1.00 0.00 C ATOM 126 NE1 TRP A 10 -1.854 0.871 -1.745 1.00 0.00 N ATOM 127 CE2 TRP A 10 -2.016 0.244 -2.952 1.00 0.00 C ATOM 128 CE3 TRP A 10 -1.317 0.656 -5.217 1.00 0.00 C ATOM 129 CZ2 TRP A 10 -2.664 -0.933 -3.321 1.00 0.00 C ATOM 130 CZ3 TRP A 10 -1.871 -0.585 -5.579 1.00 0.00 C ATOM 131 CH2 TRP A 10 -2.551 -1.379 -4.644 1.00 0.00 C ATOM 0 H TRP A 10 -2.077 4.048 -2.371 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.619 5.474 -4.499 1.00 0.00 H new ATOM 0 HB2 TRP A 10 0.429 3.158 -4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.564 3.843 -3.020 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.709 2.594 -1.048 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.261 0.547 -0.868 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.873 1.286 -5.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.243 -1.491 -2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.771 -0.933 -6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.983 -2.324 -4.941 1.00 0.00 H new ATOM 141 N LYS A 11 -3.277 3.861 -5.085 1.00 0.00 N ATOM 142 CA LYS A 11 -4.480 3.547 -5.905 1.00 0.00 C ATOM 143 C LYS A 11 -5.456 2.680 -5.075 1.00 0.00 C ATOM 144 O LYS A 11 -6.670 2.877 -5.132 1.00 0.00 O ATOM 145 CB LYS A 11 -4.233 3.023 -7.346 1.00 0.00 C ATOM 146 CG LYS A 11 -3.856 1.540 -7.454 1.00 0.00 C ATOM 147 CD LYS A 11 -5.058 0.590 -7.620 1.00 0.00 C ATOM 148 CE LYS A 11 -4.711 -0.829 -7.131 1.00 0.00 C ATOM 149 NZ LYS A 11 -5.879 -1.744 -7.233 1.00 0.00 N ATOM 0 H LYS A 11 -3.545 3.824 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.949 4.506 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.133 3.195 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.438 3.616 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.184 1.409 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.301 1.252 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.910 0.974 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.356 0.555 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.885 -1.226 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.372 -0.785 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.552 -2.730 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.531 -1.564 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.372 -1.578 -8.133 1.00 0.00 H new ATOM 159 N GLU A 12 -4.876 1.764 -4.281 1.00 0.00 N ATOM 160 CA GLU A 12 -5.476 0.946 -3.209 1.00 0.00 C ATOM 161 C GLU A 12 -6.217 -0.322 -3.672 1.00 0.00 C ATOM 162 O GLU A 12 -6.695 -0.406 -4.803 1.00 0.00 O ATOM 163 CB GLU A 12 -6.280 1.804 -2.222 1.00 0.00 C ATOM 164 CG GLU A 12 -5.371 2.866 -1.581 1.00 0.00 C ATOM 165 CD GLU A 12 -6.219 3.820 -0.726 1.00 0.00 C ATOM 166 OE1 GLU A 12 -6.743 3.396 0.333 1.00 0.00 O ATOM 167 OE2 GLU A 12 -6.411 4.988 -1.139 1.00 0.00 O ATOM 0 H GLU A 12 -3.882 1.557 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.626 0.535 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.108 2.288 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.714 1.171 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.612 2.385 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.845 3.425 -2.355 1.00 0.00 H new ATOM 172 N ASN A 13 -6.239 -1.318 -2.773 1.00 0.00 N ATOM 173 CA ASN A 13 -6.663 -2.723 -2.914 1.00 0.00 C ATOM 174 C ASN A 13 -5.456 -3.609 -3.310 1.00 0.00 C ATOM 175 O ASN A 13 -5.150 -3.764 -4.495 1.00 0.00 O ATOM 176 CB ASN A 13 -7.890 -2.915 -3.829 1.00 0.00 C ATOM 177 CG ASN A 13 -8.454 -4.330 -3.734 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.265 -5.158 -4.618 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.154 -4.655 -2.659 1.00 0.00 N ATOM 0 H ASN A 13 -5.924 -1.139 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.015 -3.055 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.663 -2.197 -3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.610 -2.704 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.537 -5.596 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.310 -3.965 -1.924 1.00 0.00 H new HETATM 185 N SEP A 14 -4.759 -4.135 -2.285 1.00 0.00 N HETATM 186 CA SEP A 14 -3.636 -5.104 -2.333 1.00 0.00 C HETATM 187 CB SEP A 14 -4.053 -6.383 -3.085 1.00 0.00 C HETATM 188 OG SEP A 14 -3.173 -7.451 -2.765 1.00 0.00 O HETATM 189 C SEP A 14 -2.294 -4.499 -2.838 1.00 0.00 C HETATM 190 O SEP A 14 -1.925 -4.685 -4.007 1.00 0.00 O HETATM 191 P SEP A 14 -3.395 -8.963 -3.326 1.00 0.00 P HETATM 192 O1P SEP A 14 -2.250 -9.709 -2.738 1.00 0.00 O HETATM 193 O2P SEP A 14 -4.718 -9.381 -2.791 1.00 0.00 O HETATM 194 O3P SEP A 14 -3.339 -8.843 -4.806 1.00 0.00 O HETATM 0 HB3 SEP A 14 -5.075 -6.653 -2.819 1.00 0.00 H new HETATM 0 HB2 SEP A 14 -4.040 -6.202 -4.160 1.00 0.00 H new HETATM 0 HA SEP A 14 -3.418 -5.384 -1.302 1.00 0.00 H new ATOM 198 N PRO A 15 -1.555 -3.754 -1.978 1.00 0.00 N ATOM 199 CA PRO A 15 -0.271 -3.150 -2.332 1.00 0.00 C ATOM 200 C PRO A 15 0.826 -4.221 -2.422 1.00 0.00 C ATOM 201 O PRO A 15 1.154 -4.866 -1.424 1.00 0.00 O ATOM 202 CB PRO A 15 0.040 -2.116 -1.238 1.00 0.00 C ATOM 203 CG PRO A 15 -0.733 -2.635 -0.025 1.00 0.00 C ATOM 204 CD PRO A 15 -1.932 -3.376 -0.621 1.00 0.00 C ATOM 0 HA PRO A 15 -0.313 -2.672 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.109 -2.055 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.288 -1.117 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.118 -3.299 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.053 -1.817 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.177 -4.257 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.817 -2.739 -0.628 1.00 0.00 H new ATOM 209 N LEU A 16 1.416 -4.359 -3.617 1.00 0.00 N ATOM 210 CA LEU A 16 2.545 -5.253 -3.936 1.00 0.00 C ATOM 211 C LEU A 16 3.073 -4.998 -5.358 1.00 0.00 C ATOM 212 O LEU A 16 4.278 -4.828 -5.546 1.00 0.00 O ATOM 213 CB LEU A 16 2.137 -6.737 -3.753 1.00 0.00 C ATOM 214 CG LEU A 16 3.271 -7.758 -3.992 1.00 0.00 C ATOM 215 CD1 LEU A 16 4.448 -7.565 -3.019 1.00 0.00 C ATOM 216 CD2 LEU A 16 2.720 -9.181 -3.834 1.00 0.00 C ATOM 0 H LEU A 16 1.106 -3.826 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 16 3.354 -5.034 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.754 -6.871 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.317 -6.960 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 16 3.645 -7.598 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.219 -8.307 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.863 -6.565 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.097 -7.686 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.520 -9.902 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.324 -9.308 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.924 -9.346 -4.560 1.00 0.00 H new ATOM 227 N ASN A 17 2.170 -4.953 -6.349 1.00 0.00 N ATOM 228 CA ASN A 17 2.500 -4.744 -7.771 1.00 0.00 C ATOM 229 C ASN A 17 1.286 -4.286 -8.614 1.00 0.00 C ATOM 230 O ASN A 17 1.383 -3.242 -9.255 1.00 0.00 O ATOM 231 CB ASN A 17 3.134 -6.030 -8.342 1.00 0.00 C ATOM 232 CG ASN A 17 3.478 -5.881 -9.822 1.00 0.00 C ATOM 233 OD1 ASN A 17 2.628 -6.047 -10.688 1.00 0.00 O ATOM 234 ND2 ASN A 17 4.712 -5.536 -10.151 1.00 0.00 N ATOM 0 H ASN A 17 1.170 -5.063 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 17 3.219 -3.927 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.037 -6.271 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.445 -6.865 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.961 -5.406 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.414 -5.400 -9.424 1.00 0.00 H new ATOM 240 N VAL A 18 0.189 -5.069 -8.601 1.00 0.00 N ATOM 241 CA VAL A 18 -1.139 -4.958 -9.273 1.00 0.00 C ATOM 242 C VAL A 18 -1.468 -6.297 -9.951 1.00 0.00 C ATOM 243 O VAL A 18 -2.559 -6.833 -9.749 1.00 0.00 O ATOM 244 CB VAL A 18 -1.315 -3.781 -10.275 1.00 0.00 C ATOM 245 CG1 VAL A 18 -2.496 -3.961 -11.253 1.00 0.00 C ATOM 246 CG2 VAL A 18 -1.592 -2.465 -9.516 1.00 0.00 C ATOM 0 H VAL A 18 0.210 -5.920 -8.039 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.844 -4.721 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.382 -3.757 -10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.552 -3.099 -11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.346 -4.865 -11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.425 -4.045 -10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.713 -1.651 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.504 -2.569 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.755 -2.244 -8.853 1.00 0.00 H new ATOM 256 N SER A 19 -0.509 -6.847 -10.712 1.00 0.00 N ATOM 257 CA SER A 19 -0.626 -8.115 -11.467 1.00 0.00 C ATOM 258 C SER A 19 0.725 -8.583 -12.033 1.00 0.00 C ATOM 259 O SER A 19 1.307 -9.534 -11.458 1.00 0.00 O ATOM 260 CB SER A 19 -1.682 -8.000 -12.575 1.00 0.00 C ATOM 261 OG SER A 19 -1.955 -9.295 -13.092 1.00 0.00 O ATOM 262 OXT SER A 19 1.216 -7.998 -13.028 1.00 0.00 O ATOM 0 H SER A 19 0.405 -6.409 -10.826 1.00 0.00 H new ATOM 0 HA SER A 19 -0.954 -8.878 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.594 -7.553 -12.180 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.324 -7.345 -13.370 1.00 0.00 H new ATOM 0 HG SER A 19 -2.630 -9.229 -13.799 1.00 0.00 H new TER 267 SER A 19