USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=3 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+ 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) 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 4.324 -7.776 -4.629 1.00 0.00 N ATOM 2 CA CYS A 1 3.125 -8.006 -5.485 1.00 0.00 C ATOM 3 C CYS A 1 1.851 -8.086 -4.619 1.00 0.00 C ATOM 4 O CYS A 1 1.826 -8.841 -3.644 1.00 0.00 O ATOM 5 CB CYS A 1 3.300 -9.271 -6.364 1.00 0.00 C ATOM 6 SG CYS A 1 1.951 -9.407 -7.582 1.00 0.00 S ATOM 0 H1 CYS A 1 5.173 -7.725 -5.227 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.213 -6.883 -4.108 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.424 -8.560 -3.953 1.00 0.00 H new ATOM 0 HA CYS A 1 3.017 -7.158 -6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 1 4.259 -9.230 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.316 -10.159 -5.732 1.00 0.00 H new ATOM 0 HG CYS A 1 2.125 -10.473 -8.305 1.00 0.00 H new ATOM 13 N ARG A 2 0.794 -7.322 -4.963 1.00 0.00 N ATOM 14 CA ARG A 2 -0.508 -7.312 -4.253 1.00 0.00 C ATOM 15 C ARG A 2 -1.631 -6.644 -5.069 1.00 0.00 C ATOM 16 O ARG A 2 -2.704 -7.224 -5.224 1.00 0.00 O ATOM 17 CB ARG A 2 -0.358 -6.632 -2.868 1.00 0.00 C ATOM 18 CG ARG A 2 -1.447 -7.030 -1.858 1.00 0.00 C ATOM 19 CD ARG A 2 -1.380 -8.522 -1.480 1.00 0.00 C ATOM 20 NE ARG A 2 -1.350 -8.723 -0.018 1.00 0.00 N ATOM 21 CZ ARG A 2 -2.387 -8.830 0.805 1.00 0.00 C ATOM 22 NH1 ARG A 2 -2.174 -9.059 2.084 1.00 0.00 N ATOM 23 NH2 ARG A 2 -3.632 -8.718 0.387 1.00 0.00 N ATOM 0 H ARG A 2 0.819 -6.682 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.803 -8.352 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.618 -6.885 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.377 -5.550 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.342 -6.425 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.428 -6.808 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.242 -9.041 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.491 -8.969 -1.925 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.426 -8.787 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.220 -9.152 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.963 -9.143 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.825 -8.543 -0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.402 -8.806 1.050 1.00 0.00 H new ATOM 34 N LYS A 3 -1.369 -5.438 -5.597 1.00 0.00 N ATOM 35 CA LYS A 3 -2.238 -4.668 -6.515 1.00 0.00 C ATOM 36 C LYS A 3 -3.613 -4.321 -5.886 1.00 0.00 C ATOM 37 O LYS A 3 -4.649 -4.892 -6.231 1.00 0.00 O ATOM 38 CB LYS A 3 -2.331 -5.367 -7.896 1.00 0.00 C ATOM 39 CG LYS A 3 -0.944 -5.651 -8.503 1.00 0.00 C ATOM 40 CD LYS A 3 -1.033 -6.061 -9.979 1.00 0.00 C ATOM 41 CE LYS A 3 0.363 -6.445 -10.495 1.00 0.00 C ATOM 42 NZ LYS A 3 0.363 -6.711 -11.960 1.00 0.00 N ATOM 0 H LYS A 3 -0.502 -4.944 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.772 -3.698 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.877 -6.304 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.903 -4.740 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.320 -4.762 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.456 -6.444 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.717 -6.902 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.437 -5.240 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.065 -5.642 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.714 -7.331 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.323 -6.966 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.287 -7.495 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.053 -5.858 -12.468 1.00 0.00 H new ATOM 52 N ALA A 4 -3.607 -3.366 -4.942 1.00 0.00 N ATOM 53 CA ALA A 4 -4.762 -2.979 -4.110 1.00 0.00 C ATOM 54 C ALA A 4 -5.963 -2.402 -4.898 1.00 0.00 C ATOM 55 O ALA A 4 -7.097 -2.455 -4.420 1.00 0.00 O ATOM 56 CB ALA A 4 -4.260 -1.969 -3.060 1.00 0.00 C ATOM 0 H ALA A 4 -2.771 -2.823 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.155 -3.884 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.091 -1.661 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.489 -2.435 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.845 -1.096 -3.564 1.00 0.00 H new ATOM 62 N GLY A 5 -5.734 -1.798 -6.071 1.00 0.00 N ATOM 63 CA GLY A 5 -6.770 -1.263 -6.979 1.00 0.00 C ATOM 64 C GLY A 5 -7.352 0.085 -6.537 1.00 0.00 C ATOM 65 O GLY A 5 -7.443 1.011 -7.342 1.00 0.00 O ATOM 0 H GLY A 5 -4.790 -1.661 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.343 -1.153 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.580 -1.989 -7.057 1.00 0.00 H new ATOM 69 N VAL A 6 -7.695 0.208 -5.250 1.00 0.00 N ATOM 70 CA VAL A 6 -8.193 1.455 -4.616 1.00 0.00 C ATOM 71 C VAL A 6 -7.199 2.630 -4.674 1.00 0.00 C ATOM 72 O VAL A 6 -7.611 3.788 -4.732 1.00 0.00 O ATOM 73 CB VAL A 6 -8.587 1.248 -3.136 1.00 0.00 C ATOM 74 CG1 VAL A 6 -9.938 0.522 -3.034 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.534 0.517 -2.280 1.00 0.00 C ATOM 0 H VAL A 6 -7.636 -0.572 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.070 1.710 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.660 2.253 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.199 0.385 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.708 1.116 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.866 -0.451 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.900 0.419 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.351 -0.474 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.605 1.088 -2.279 1.00 0.00 H new ATOM 85 N GLY A 7 -5.899 2.318 -4.665 1.00 0.00 N ATOM 86 CA GLY A 7 -4.785 3.285 -4.716 1.00 0.00 C ATOM 87 C GLY A 7 -3.665 3.062 -3.691 1.00 0.00 C ATOM 88 O GLY A 7 -2.980 4.023 -3.344 1.00 0.00 O ATOM 0 H GLY A 7 -5.576 1.351 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.349 3.258 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.190 4.287 -4.572 1.00 0.00 H new ATOM 92 N GLN A 8 -3.488 1.820 -3.207 1.00 0.00 N ATOM 93 CA GLN A 8 -2.475 1.420 -2.207 1.00 0.00 C ATOM 94 C GLN A 8 -2.707 2.122 -0.849 1.00 0.00 C ATOM 95 O GLN A 8 -1.768 2.580 -0.193 1.00 0.00 O ATOM 96 CB GLN A 8 -1.047 1.547 -2.792 1.00 0.00 C ATOM 97 CG GLN A 8 -0.736 0.398 -3.774 1.00 0.00 C ATOM 98 CD GLN A 8 0.140 0.862 -4.942 1.00 0.00 C ATOM 99 OE1 GLN A 8 1.366 0.879 -4.881 1.00 0.00 O ATOM 100 NE2 GLN A 8 -0.453 1.268 -6.053 1.00 0.00 N ATOM 0 H GLN A 8 -4.066 1.037 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.589 0.361 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.946 2.503 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.318 1.542 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.232 -0.408 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.669 -0.011 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.471 1.260 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.108 1.589 -6.842 1.00 0.00 H new HETATM 107 N SEP A 9 -3.982 2.155 -0.419 1.00 0.00 N HETATM 108 CA SEP A 9 -4.433 2.591 0.910 1.00 0.00 C HETATM 109 CB SEP A 9 -5.029 4.017 0.900 1.00 0.00 C HETATM 110 OG SEP A 9 -4.034 5.032 0.834 1.00 0.00 O HETATM 111 C SEP A 9 -5.448 1.607 1.503 1.00 0.00 C HETATM 112 O SEP A 9 -6.640 1.607 1.181 1.00 0.00 O HETATM 113 P SEP A 9 -4.392 6.614 0.985 1.00 0.00 P HETATM 114 O1P SEP A 9 -5.335 6.908 -0.127 1.00 0.00 O HETATM 115 O2P SEP A 9 -4.985 6.747 2.344 1.00 0.00 O HETATM 116 O3P SEP A 9 -3.069 7.278 0.843 1.00 0.00 O HETATM 0 HB3 SEP A 9 -5.701 4.118 0.048 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -5.629 4.161 1.799 1.00 0.00 H new HETATM 0 HA SEP A 9 -3.543 2.610 1.539 1.00 0.00 H new ATOM 120 N TRP A 10 -4.922 0.755 2.381 1.00 0.00 N ATOM 121 CA TRP A 10 -5.647 -0.286 3.114 1.00 0.00 C ATOM 122 C TRP A 10 -5.042 -0.529 4.512 1.00 0.00 C ATOM 123 O TRP A 10 -5.565 -0.044 5.516 1.00 0.00 O ATOM 124 CB TRP A 10 -5.737 -1.555 2.235 1.00 0.00 C ATOM 125 CG TRP A 10 -4.476 -2.073 1.585 1.00 0.00 C ATOM 126 CD1 TRP A 10 -3.946 -1.618 0.429 1.00 0.00 C ATOM 127 CD2 TRP A 10 -3.554 -3.116 2.029 1.00 0.00 C ATOM 128 NE1 TRP A 10 -2.823 -2.350 0.102 1.00 0.00 N ATOM 129 CE2 TRP A 10 -2.534 -3.285 1.061 1.00 0.00 C ATOM 130 CE3 TRP A 10 -3.416 -3.879 3.200 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -1.472 -4.173 1.239 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -2.328 -4.750 3.417 1.00 0.00 C ATOM 133 CH2 TRP A 10 -1.349 -4.897 2.430 1.00 0.00 C ATOM 0 H TRP A 10 -3.929 0.771 2.613 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.667 0.043 3.314 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.146 -2.356 2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.461 -1.360 1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.343 -0.800 -0.154 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.276 -2.212 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.174 -3.795 3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.742 -4.302 0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.252 -5.301 4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.510 -5.560 2.584 1.00 0.00 H new ATOM 143 N LYS A 11 -3.939 -1.284 4.571 1.00 0.00 N ATOM 144 CA LYS A 11 -3.234 -1.765 5.780 1.00 0.00 C ATOM 145 C LYS A 11 -1.716 -1.976 5.514 1.00 0.00 C ATOM 146 O LYS A 11 -1.078 -2.798 6.178 1.00 0.00 O ATOM 147 CB LYS A 11 -3.861 -3.055 6.396 1.00 0.00 C ATOM 148 CG LYS A 11 -5.375 -3.331 6.252 1.00 0.00 C ATOM 149 CD LYS A 11 -5.696 -4.836 6.338 1.00 0.00 C ATOM 150 CE LYS A 11 -5.213 -5.668 5.120 1.00 0.00 C ATOM 151 NZ LYS A 11 -5.653 -7.087 5.229 1.00 0.00 N ATOM 0 H LYS A 11 -3.477 -1.601 3.718 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.356 -0.972 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.335 -3.907 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.634 -3.047 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.917 -2.799 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.726 -2.939 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.241 -5.241 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.774 -4.959 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.604 -5.233 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.126 -5.625 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.316 -7.619 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.259 -7.507 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.692 -7.127 5.267 1.00 0.00 H new ATOM 161 N GLU A 12 -1.155 -1.307 4.491 1.00 0.00 N ATOM 162 CA GLU A 12 0.200 -1.569 3.971 1.00 0.00 C ATOM 163 C GLU A 12 1.292 -1.576 5.059 1.00 0.00 C ATOM 164 O GLU A 12 1.285 -0.757 5.982 1.00 0.00 O ATOM 165 CB GLU A 12 0.612 -0.563 2.884 1.00 0.00 C ATOM 166 CG GLU A 12 -0.195 -0.694 1.588 1.00 0.00 C ATOM 167 CD GLU A 12 0.610 -0.247 0.354 1.00 0.00 C ATOM 168 OE1 GLU A 12 1.307 0.796 0.401 1.00 0.00 O ATOM 169 OE2 GLU A 12 0.568 -0.968 -0.671 1.00 0.00 O ATOM 0 H GLU A 12 -1.637 -0.558 3.994 1.00 0.00 H new ATOM 0 HA GLU A 12 0.130 -2.570 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.495 0.448 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.670 -0.698 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.508 -1.730 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.102 -0.095 1.665 1.00 0.00 H new ATOM 174 N ASN A 13 2.251 -2.500 4.925 1.00 0.00 N ATOM 175 CA ASN A 13 3.310 -2.728 5.918 1.00 0.00 C ATOM 176 C ASN A 13 4.493 -1.740 5.800 1.00 0.00 C ATOM 177 O ASN A 13 5.228 -1.536 6.769 1.00 0.00 O ATOM 178 CB ASN A 13 3.796 -4.182 5.801 1.00 0.00 C ATOM 179 CG ASN A 13 2.694 -5.183 6.141 1.00 0.00 C ATOM 180 OD1 ASN A 13 2.369 -5.405 7.303 1.00 0.00 O ATOM 181 ND2 ASN A 13 2.077 -5.809 5.150 1.00 0.00 N ATOM 0 H ASN A 13 2.315 -3.118 4.116 1.00 0.00 H new ATOM 0 HA ASN A 13 2.881 -2.548 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.152 -4.365 4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.644 -4.336 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.332 -6.475 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.347 -5.625 4.184 1.00 0.00 H new ATOM 187 N SER A 14 4.694 -1.115 4.635 1.00 0.00 N ATOM 188 CA SER A 14 5.745 -0.104 4.416 1.00 0.00 C ATOM 189 C SER A 14 5.438 1.234 5.125 1.00 0.00 C ATOM 190 O SER A 14 4.261 1.588 5.275 1.00 0.00 O ATOM 191 CB SER A 14 5.914 0.183 2.910 1.00 0.00 C ATOM 192 OG SER A 14 6.167 -1.013 2.179 1.00 0.00 O ATOM 0 H SER A 14 4.128 -1.296 3.806 1.00 0.00 H new ATOM 0 HA SER A 14 6.659 -0.522 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.014 0.663 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.736 0.883 2.761 1.00 0.00 H new ATOM 0 HG SER A 14 6.268 -0.800 1.228 1.00 0.00 H new ATOM 197 N PRO A 15 6.469 2.026 5.496 1.00 0.00 N ATOM 198 CA PRO A 15 6.289 3.400 5.970 1.00 0.00 C ATOM 199 C PRO A 15 5.941 4.374 4.830 1.00 0.00 C ATOM 200 O PRO A 15 5.490 5.482 5.110 1.00 0.00 O ATOM 201 CB PRO A 15 7.623 3.767 6.629 1.00 0.00 C ATOM 202 CG PRO A 15 8.647 2.950 5.842 1.00 0.00 C ATOM 203 CD PRO A 15 7.883 1.665 5.522 1.00 0.00 C ATOM 0 HA PRO A 15 5.451 3.472 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.824 4.836 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.632 3.509 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.967 3.466 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.544 2.752 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.197 1.254 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.075 0.900 6.275 1.00 0.00 H new ATOM 208 N LEU A 16 6.194 3.981 3.563 1.00 0.00 N ATOM 209 CA LEU A 16 5.866 4.651 2.280 1.00 0.00 C ATOM 210 C LEU A 16 6.330 6.109 2.133 1.00 0.00 C ATOM 211 O LEU A 16 5.912 6.859 1.250 1.00 0.00 O ATOM 212 CB LEU A 16 4.399 4.418 1.922 1.00 0.00 C ATOM 213 CG LEU A 16 3.364 5.301 2.651 1.00 0.00 C ATOM 214 CD1 LEU A 16 2.509 6.107 1.663 1.00 0.00 C ATOM 215 CD2 LEU A 16 2.444 4.467 3.555 1.00 0.00 C ATOM 0 H LEU A 16 6.681 3.101 3.393 1.00 0.00 H new ATOM 0 HA LEU A 16 6.484 4.164 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.281 4.570 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.160 3.374 2.125 1.00 0.00 H new ATOM 0 HG LEU A 16 3.934 5.994 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.793 6.716 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.153 6.754 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.973 5.424 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.729 5.123 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.907 3.735 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.042 3.949 4.305 1.00 0.00 H new ATOM 226 N ASN A 17 7.208 6.468 3.054 1.00 0.00 N ATOM 227 CA ASN A 17 7.894 7.750 3.227 1.00 0.00 C ATOM 228 C ASN A 17 6.976 8.859 3.805 1.00 0.00 C ATOM 229 O ASN A 17 7.117 10.034 3.460 1.00 0.00 O ATOM 230 CB ASN A 17 8.672 8.125 1.941 1.00 0.00 C ATOM 231 CG ASN A 17 10.151 8.343 2.238 1.00 0.00 C ATOM 232 OD1 ASN A 17 10.645 9.465 2.286 1.00 0.00 O ATOM 233 ND2 ASN A 17 10.892 7.269 2.466 1.00 0.00 N ATOM 0 H ASN A 17 7.491 5.805 3.776 1.00 0.00 H new ATOM 0 HA ASN A 17 8.649 7.640 4.006 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.560 7.333 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.248 9.030 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.883 7.370 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.471 6.341 2.424 1.00 0.00 H new ATOM 239 N VAL A 18 6.044 8.493 4.704 1.00 0.00 N ATOM 240 CA VAL A 18 5.170 9.444 5.448 1.00 0.00 C ATOM 241 C VAL A 18 5.991 10.558 6.128 1.00 0.00 C ATOM 242 O VAL A 18 5.609 11.726 6.031 1.00 0.00 O ATOM 243 CB VAL A 18 4.289 8.707 6.493 1.00 0.00 C ATOM 244 CG1 VAL A 18 3.642 9.630 7.544 1.00 0.00 C ATOM 245 CG2 VAL A 18 3.152 7.941 5.794 1.00 0.00 C ATOM 0 H VAL A 18 5.868 7.517 4.944 1.00 0.00 H new ATOM 0 HA VAL A 18 4.512 9.910 4.714 1.00 0.00 H new ATOM 0 HB VAL A 18 4.976 8.038 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.045 9.034 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.421 10.153 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.002 10.357 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.544 7.430 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.530 8.642 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.576 7.208 5.108 1.00 0.00 H new ATOM 255 N SER A 19 7.115 10.195 6.773 1.00 0.00 N ATOM 256 CA SER A 19 8.136 11.088 7.368 1.00 0.00 C ATOM 257 C SER A 19 7.686 11.705 8.704 1.00 0.00 C ATOM 258 O SER A 19 8.048 11.132 9.759 1.00 0.00 O ATOM 259 CB SER A 19 8.609 12.145 6.359 1.00 0.00 C ATOM 260 OG SER A 19 9.852 12.678 6.799 1.00 0.00 O ATOM 261 OXT SER A 19 6.958 12.725 8.722 1.00 0.00 O ATOM 0 H SER A 19 7.352 9.212 6.902 1.00 0.00 H new ATOM 0 HA SER A 19 8.998 10.466 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.719 11.700 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.868 12.940 6.270 1.00 0.00 H new ATOM 0 HG SER A 19 10.163 13.353 6.160 1.00 0.00 H new TER 266 SER A 19