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+ 164:sc= 0.0573 (180deg=0.0229) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0477 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.11 X(o=-0.11,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 3.132 -5.579 -7.051 1.00 0.00 N ATOM 2 CA CYS A 1 2.631 -4.173 -7.088 1.00 0.00 C ATOM 3 C CYS A 1 1.142 -4.075 -6.704 1.00 0.00 C ATOM 4 O CYS A 1 0.843 -3.696 -5.573 1.00 0.00 O ATOM 5 CB CYS A 1 2.958 -3.466 -8.429 1.00 0.00 C ATOM 6 SG CYS A 1 4.761 -3.297 -8.630 1.00 0.00 S ATOM 0 H1 CYS A 1 4.034 -5.640 -7.565 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.276 -5.870 -6.063 1.00 0.00 H new ATOM 0 H3 CYS A 1 2.435 -6.208 -7.499 1.00 0.00 H new ATOM 0 HA CYS A 1 3.177 -3.624 -6.320 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.544 -4.038 -9.260 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.489 -2.483 -8.454 1.00 0.00 H new ATOM 0 HG CYS A 1 5.018 -2.705 -9.759 1.00 0.00 H new ATOM 13 N ARG A 2 0.204 -4.392 -7.616 1.00 0.00 N ATOM 14 CA ARG A 2 -1.253 -4.232 -7.424 1.00 0.00 C ATOM 15 C ARG A 2 -1.862 -5.310 -6.506 1.00 0.00 C ATOM 16 O ARG A 2 -1.735 -6.508 -6.770 1.00 0.00 O ATOM 17 CB ARG A 2 -1.944 -4.192 -8.808 1.00 0.00 C ATOM 18 CG ARG A 2 -2.525 -2.801 -9.134 1.00 0.00 C ATOM 19 CD ARG A 2 -2.501 -2.486 -10.638 1.00 0.00 C ATOM 20 NE ARG A 2 -1.135 -2.159 -11.096 1.00 0.00 N ATOM 21 CZ ARG A 2 -0.498 -1.003 -10.931 1.00 0.00 C ATOM 22 NH1 ARG A 2 0.740 -0.870 -11.356 1.00 0.00 N ATOM 23 NH2 ARG A 2 -1.063 0.031 -10.343 1.00 0.00 N ATOM 0 H ARG A 2 0.442 -4.776 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.427 -3.288 -6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.226 -4.472 -9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.744 -4.932 -8.833 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.552 -2.747 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.957 -2.040 -8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.879 -3.342 -11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.167 -1.649 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.629 -2.895 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.210 -1.653 -11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.230 0.016 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.020 -0.039 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.544 0.902 -10.234 1.00 0.00 H new ATOM 34 N LYS A 3 -2.539 -4.860 -5.441 1.00 0.00 N ATOM 35 CA LYS A 3 -3.144 -5.679 -4.361 1.00 0.00 C ATOM 36 C LYS A 3 -4.116 -4.873 -3.458 1.00 0.00 C ATOM 37 O LYS A 3 -4.184 -5.095 -2.246 1.00 0.00 O ATOM 38 CB LYS A 3 -2.039 -6.442 -3.581 1.00 0.00 C ATOM 39 CG LYS A 3 -0.914 -5.559 -3.007 1.00 0.00 C ATOM 40 CD LYS A 3 0.194 -6.415 -2.369 1.00 0.00 C ATOM 41 CE LYS A 3 1.543 -5.680 -2.257 1.00 0.00 C ATOM 42 NZ LYS A 3 1.565 -4.612 -1.221 1.00 0.00 N ATOM 0 H LYS A 3 -2.692 -3.862 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.784 -6.431 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.506 -6.987 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.594 -7.184 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.490 -4.944 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.326 -4.879 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.125 -6.728 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.330 -7.321 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.324 -6.407 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.787 -5.240 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.503 -4.164 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.843 -3.897 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.364 -5.028 -0.289 1.00 0.00 H new ATOM 52 N ALA A 4 -4.836 -3.901 -4.040 1.00 0.00 N ATOM 53 CA ALA A 4 -5.675 -2.929 -3.309 1.00 0.00 C ATOM 54 C ALA A 4 -7.032 -2.623 -3.981 1.00 0.00 C ATOM 55 O ALA A 4 -8.053 -2.578 -3.294 1.00 0.00 O ATOM 56 CB ALA A 4 -4.845 -1.642 -3.141 1.00 0.00 C ATOM 0 H ALA A 4 -4.854 -3.763 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.942 -3.369 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.433 -0.898 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.939 -1.864 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.576 -1.252 -4.123 1.00 0.00 H new ATOM 62 N GLY A 5 -7.053 -2.375 -5.302 1.00 0.00 N ATOM 63 CA GLY A 5 -8.259 -1.941 -6.042 1.00 0.00 C ATOM 64 C GLY A 5 -8.613 -0.454 -5.856 1.00 0.00 C ATOM 65 O GLY A 5 -9.777 -0.086 -5.997 1.00 0.00 O ATOM 0 H GLY A 5 -6.228 -2.470 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.110 -2.137 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.106 -2.547 -5.721 1.00 0.00 H new ATOM 69 N VAL A 6 -7.619 0.384 -5.530 1.00 0.00 N ATOM 70 CA VAL A 6 -7.752 1.817 -5.157 1.00 0.00 C ATOM 71 C VAL A 6 -6.463 2.628 -5.397 1.00 0.00 C ATOM 72 O VAL A 6 -6.544 3.765 -5.862 1.00 0.00 O ATOM 73 CB VAL A 6 -8.191 2.033 -3.678 1.00 0.00 C ATOM 74 CG1 VAL A 6 -9.695 1.805 -3.464 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.408 1.196 -2.652 1.00 0.00 C ATOM 0 H VAL A 6 -6.647 0.074 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.537 2.182 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.954 3.081 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.942 1.970 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.260 2.501 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.951 0.782 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.779 1.409 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.540 0.136 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.349 1.449 -2.708 1.00 0.00 H new ATOM 85 N GLY A 7 -5.284 2.049 -5.109 1.00 0.00 N ATOM 86 CA GLY A 7 -3.965 2.684 -5.278 1.00 0.00 C ATOM 87 C GLY A 7 -3.198 2.827 -3.959 1.00 0.00 C ATOM 88 O GLY A 7 -2.910 3.949 -3.542 1.00 0.00 O ATOM 0 H GLY A 7 -5.221 1.099 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.370 2.095 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.097 3.670 -5.725 1.00 0.00 H new ATOM 92 N GLN A 8 -2.883 1.692 -3.315 1.00 0.00 N ATOM 93 CA GLN A 8 -2.086 1.591 -2.074 1.00 0.00 C ATOM 94 C GLN A 8 -2.734 2.304 -0.856 1.00 0.00 C ATOM 95 O GLN A 8 -2.029 2.822 0.016 1.00 0.00 O ATOM 96 CB GLN A 8 -0.625 2.014 -2.343 1.00 0.00 C ATOM 97 CG GLN A 8 0.115 0.991 -3.222 1.00 0.00 C ATOM 98 CD GLN A 8 1.587 1.351 -3.376 1.00 0.00 C ATOM 99 OE1 GLN A 8 2.065 1.711 -4.447 1.00 0.00 O ATOM 100 NE2 GLN A 8 2.369 1.278 -2.319 1.00 0.00 N ATOM 0 H GLN A 8 -3.187 0.780 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.072 0.543 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.613 2.988 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.099 2.126 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.026 -0.002 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.355 0.946 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.987 0.980 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.357 1.519 -2.398 1.00 0.00 H new HETATM 107 N SEP A 9 -4.078 2.302 -0.776 1.00 0.00 N HETATM 108 CA SEP A 9 -4.874 2.834 0.349 1.00 0.00 C HETATM 109 CB SEP A 9 -5.814 3.974 -0.102 1.00 0.00 C HETATM 110 OG SEP A 9 -5.158 5.239 -0.118 1.00 0.00 O HETATM 111 C SEP A 9 -5.602 1.738 1.140 1.00 0.00 C HETATM 112 O SEP A 9 -6.809 1.506 1.012 1.00 0.00 O HETATM 113 P SEP A 9 -5.184 6.267 1.152 1.00 0.00 P HETATM 114 O1P SEP A 9 -4.209 7.316 0.751 1.00 0.00 O HETATM 115 O2P SEP A 9 -6.590 6.752 1.207 1.00 0.00 O HETATM 116 O3P SEP A 9 -4.763 5.478 2.340 1.00 0.00 O HETATM 0 HB3 SEP A 9 -6.198 3.753 -1.098 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -6.673 4.021 0.568 1.00 0.00 H new HETATM 0 HA SEP A 9 -4.165 3.272 1.051 1.00 0.00 H new ATOM 120 N TRP A 10 -4.814 1.071 1.983 1.00 0.00 N ATOM 121 CA TRP A 10 -5.204 0.024 2.939 1.00 0.00 C ATOM 122 C TRP A 10 -4.105 -0.194 4.005 1.00 0.00 C ATOM 123 O TRP A 10 -3.222 0.645 4.193 1.00 0.00 O ATOM 124 CB TRP A 10 -5.566 -1.273 2.176 1.00 0.00 C ATOM 125 CG TRP A 10 -4.439 -1.913 1.425 1.00 0.00 C ATOM 126 CD1 TRP A 10 -4.016 -1.508 0.213 1.00 0.00 C ATOM 127 CD2 TRP A 10 -3.532 -2.996 1.812 1.00 0.00 C ATOM 128 NE1 TRP A 10 -2.954 -2.289 -0.196 1.00 0.00 N ATOM 129 CE2 TRP A 10 -2.594 -3.202 0.764 1.00 0.00 C ATOM 130 CE3 TRP A 10 -3.359 -3.783 2.966 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -1.553 -4.133 0.858 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -2.278 -4.683 3.098 1.00 0.00 C ATOM 133 CH2 TRP A 10 -1.368 -4.844 2.048 1.00 0.00 C ATOM 0 H TRP A 10 -3.812 1.259 2.022 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.093 0.344 3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -5.961 -1.996 2.890 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.368 -1.049 1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.443 -0.694 -0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.493 -2.199 -1.101 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.072 -3.697 3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.897 -4.301 0.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.154 -5.247 4.011 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.527 -5.513 2.156 1.00 0.00 H new ATOM 143 N LYS A 11 -4.155 -1.339 4.701 1.00 0.00 N ATOM 144 CA LYS A 11 -3.250 -1.757 5.791 1.00 0.00 C ATOM 145 C LYS A 11 -1.747 -1.480 5.491 1.00 0.00 C ATOM 146 O LYS A 11 -1.085 -0.802 6.276 1.00 0.00 O ATOM 147 CB LYS A 11 -3.516 -3.224 6.237 1.00 0.00 C ATOM 148 CG LYS A 11 -4.996 -3.696 6.222 1.00 0.00 C ATOM 149 CD LYS A 11 -5.162 -5.231 6.229 1.00 0.00 C ATOM 150 CE LYS A 11 -4.892 -5.899 4.858 1.00 0.00 C ATOM 151 NZ LYS A 11 -5.284 -7.335 4.863 1.00 0.00 N ATOM 0 H LYS A 11 -4.869 -2.042 4.510 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.490 -1.120 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.940 -3.887 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.128 -3.349 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.509 -3.281 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.488 -3.291 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.484 -5.656 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.175 -5.475 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.446 -5.373 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.834 -5.811 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.090 -7.751 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.738 -7.842 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.299 -7.417 5.074 1.00 0.00 H new ATOM 161 N GLU A 12 -1.250 -1.972 4.343 1.00 0.00 N ATOM 162 CA GLU A 12 0.067 -1.755 3.703 1.00 0.00 C ATOM 163 C GLU A 12 1.285 -2.181 4.549 1.00 0.00 C ATOM 164 O GLU A 12 1.968 -3.139 4.185 1.00 0.00 O ATOM 165 CB GLU A 12 0.196 -0.306 3.201 1.00 0.00 C ATOM 166 CG GLU A 12 -0.479 -0.096 1.838 1.00 0.00 C ATOM 167 CD GLU A 12 0.465 -0.439 0.663 1.00 0.00 C ATOM 168 OE1 GLU A 12 1.238 0.440 0.210 1.00 0.00 O ATOM 169 OE2 GLU A 12 0.438 -1.591 0.170 1.00 0.00 O ATOM 0 H GLU A 12 -1.820 -2.600 3.777 1.00 0.00 H new ATOM 0 HA GLU A 12 0.089 -2.432 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.249 0.370 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.251 -0.043 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.373 -0.717 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.804 0.941 1.751 1.00 0.00 H new ATOM 174 N ASN A 13 1.568 -1.494 5.663 1.00 0.00 N ATOM 175 CA ASN A 13 2.596 -1.835 6.667 1.00 0.00 C ATOM 176 C ASN A 13 4.040 -1.595 6.156 1.00 0.00 C ATOM 177 O ASN A 13 4.986 -2.261 6.582 1.00 0.00 O ATOM 178 CB ASN A 13 2.392 -3.261 7.229 1.00 0.00 C ATOM 179 CG ASN A 13 0.962 -3.543 7.686 1.00 0.00 C ATOM 180 OD1 ASN A 13 0.591 -3.295 8.828 1.00 0.00 O ATOM 181 ND2 ASN A 13 0.120 -4.079 6.815 1.00 0.00 N ATOM 0 H ASN A 13 1.063 -0.641 5.905 1.00 0.00 H new ATOM 0 HA ASN A 13 2.463 -1.144 7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.669 -3.986 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.069 -3.411 8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.839 -4.286 7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.431 -4.284 5.865 1.00 0.00 H new ATOM 187 N SER A 14 4.215 -0.673 5.205 1.00 0.00 N ATOM 188 CA SER A 14 5.482 -0.426 4.491 1.00 0.00 C ATOM 189 C SER A 14 6.652 0.010 5.406 1.00 0.00 C ATOM 190 O SER A 14 6.426 0.738 6.383 1.00 0.00 O ATOM 191 CB SER A 14 5.284 0.666 3.424 1.00 0.00 C ATOM 192 OG SER A 14 4.181 0.358 2.577 1.00 0.00 O ATOM 0 H SER A 14 3.461 -0.058 4.898 1.00 0.00 H new ATOM 0 HA SER A 14 5.752 -1.384 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.117 1.628 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.190 0.764 2.826 1.00 0.00 H new ATOM 0 HG SER A 14 4.074 1.067 1.909 1.00 0.00 H new ATOM 197 N PRO A 15 7.911 -0.349 5.063 1.00 0.00 N ATOM 198 CA PRO A 15 9.110 0.171 5.725 1.00 0.00 C ATOM 199 C PRO A 15 9.475 1.598 5.273 1.00 0.00 C ATOM 200 O PRO A 15 10.275 2.246 5.946 1.00 0.00 O ATOM 201 CB PRO A 15 10.218 -0.819 5.354 1.00 0.00 C ATOM 202 CG PRO A 15 9.813 -1.301 3.962 1.00 0.00 C ATOM 203 CD PRO A 15 8.287 -1.322 4.038 1.00 0.00 C ATOM 0 HA PRO A 15 8.955 0.253 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.197 -0.340 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.274 -1.644 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.169 -0.628 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.220 -2.288 3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.847 -1.062 3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.925 -2.317 4.296 1.00 0.00 H new ATOM 208 N LEU A 16 8.943 2.055 4.121 1.00 0.00 N ATOM 209 CA LEU A 16 9.058 3.397 3.497 1.00 0.00 C ATOM 210 C LEU A 16 10.479 3.964 3.330 1.00 0.00 C ATOM 211 O LEU A 16 10.703 5.156 3.119 1.00 0.00 O ATOM 212 CB LEU A 16 8.068 4.367 4.139 1.00 0.00 C ATOM 213 CG LEU A 16 8.466 4.926 5.520 1.00 0.00 C ATOM 214 CD1 LEU A 16 8.510 6.460 5.517 1.00 0.00 C ATOM 215 CD2 LEU A 16 7.509 4.446 6.617 1.00 0.00 C ATOM 0 H LEU A 16 8.367 1.439 3.547 1.00 0.00 H new ATOM 0 HA LEU A 16 8.776 3.255 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.919 5.206 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.107 3.862 4.237 1.00 0.00 H new ATOM 0 HG LEU A 16 9.465 4.547 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.794 6.818 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.241 6.802 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.526 6.852 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.819 4.859 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.497 4.780 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.529 3.357 6.667 1.00 0.00 H new ATOM 226 N ASN A 17 11.422 3.042 3.445 1.00 0.00 N ATOM 227 CA ASN A 17 12.877 3.181 3.300 1.00 0.00 C ATOM 228 C ASN A 17 13.544 3.881 4.515 1.00 0.00 C ATOM 229 O ASN A 17 14.533 4.600 4.362 1.00 0.00 O ATOM 230 CB ASN A 17 13.229 3.769 1.908 1.00 0.00 C ATOM 231 CG ASN A 17 14.033 2.778 1.072 1.00 0.00 C ATOM 232 OD1 ASN A 17 15.219 2.957 0.819 1.00 0.00 O ATOM 233 ND2 ASN A 17 13.405 1.702 0.623 1.00 0.00 N ATOM 0 H ASN A 17 11.170 2.078 3.664 1.00 0.00 H new ATOM 0 HA ASN A 17 13.328 2.189 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.312 4.033 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.800 4.689 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.908 1.015 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.418 1.561 0.838 1.00 0.00 H new ATOM 239 N VAL A 18 13.020 3.658 5.735 1.00 0.00 N ATOM 240 CA VAL A 18 13.629 4.136 7.003 1.00 0.00 C ATOM 241 C VAL A 18 15.090 3.663 7.154 1.00 0.00 C ATOM 242 O VAL A 18 15.945 4.447 7.572 1.00 0.00 O ATOM 243 CB VAL A 18 12.790 3.701 8.237 1.00 0.00 C ATOM 244 CG1 VAL A 18 13.513 3.874 9.587 1.00 0.00 C ATOM 245 CG2 VAL A 18 11.482 4.507 8.308 1.00 0.00 C ATOM 0 H VAL A 18 12.154 3.137 5.876 1.00 0.00 H new ATOM 0 HA VAL A 18 13.632 5.225 6.957 1.00 0.00 H new ATOM 0 HB VAL A 18 12.606 2.637 8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.858 3.548 10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.423 3.274 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.770 4.924 9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.906 4.190 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.713 5.569 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.898 4.334 7.404 1.00 0.00 H new ATOM 255 N SER A 19 15.382 2.404 6.790 1.00 0.00 N ATOM 256 CA SER A 19 16.744 1.836 6.739 1.00 0.00 C ATOM 257 C SER A 19 17.371 1.993 5.346 1.00 0.00 C ATOM 258 O SER A 19 16.810 1.456 4.361 1.00 0.00 O ATOM 259 CB SER A 19 16.711 0.368 7.172 1.00 0.00 C ATOM 260 OG SER A 19 18.042 -0.082 7.381 1.00 0.00 O ATOM 261 OXT SER A 19 18.413 2.683 5.233 1.00 0.00 O ATOM 0 H SER A 19 14.662 1.735 6.516 1.00 0.00 H new ATOM 0 HA SER A 19 17.375 2.392 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.128 0.258 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.224 -0.239 6.409 1.00 0.00 H new ATOM 0 HG SER A 19 18.030 -1.021 7.660 1.00 0.00 H new TER 266 SER A 19