USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 118 hydrogens (0 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 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= -0.356 K(o=-0.36,f=-1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.49) 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 6.163 10.164 -7.226 1.00 0.00 N ATOM 2 CA CYS A 1 5.282 9.199 -6.509 1.00 0.00 C ATOM 3 C CYS A 1 5.961 7.822 -6.336 1.00 0.00 C ATOM 4 O CYS A 1 6.529 7.569 -5.276 1.00 0.00 O ATOM 5 CB CYS A 1 3.867 9.125 -7.147 1.00 0.00 C ATOM 6 SG CYS A 1 2.804 7.972 -6.218 1.00 0.00 S ATOM 0 H1 CYS A 1 5.673 11.076 -7.323 1.00 0.00 H new ATOM 0 H2 CYS A 1 7.042 10.299 -6.686 1.00 0.00 H new ATOM 0 H3 CYS A 1 6.390 9.791 -8.170 1.00 0.00 H new ATOM 0 HA CYS A 1 5.126 9.577 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.415 10.117 -7.158 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.946 8.800 -8.184 1.00 0.00 H new ATOM 0 HG CYS A 1 1.627 7.928 -6.768 1.00 0.00 H new ATOM 13 N ARG A 2 5.884 6.936 -7.348 1.00 0.00 N ATOM 14 CA ARG A 2 6.305 5.516 -7.337 1.00 0.00 C ATOM 15 C ARG A 2 5.385 4.661 -6.444 1.00 0.00 C ATOM 16 O ARG A 2 5.714 4.333 -5.304 1.00 0.00 O ATOM 17 CB ARG A 2 7.798 5.302 -6.993 1.00 0.00 C ATOM 18 CG ARG A 2 8.769 6.145 -7.833 1.00 0.00 C ATOM 19 CD ARG A 2 10.207 5.633 -7.658 1.00 0.00 C ATOM 20 NE ARG A 2 11.201 6.638 -8.077 1.00 0.00 N ATOM 21 CZ ARG A 2 11.933 7.419 -7.286 1.00 0.00 C ATOM 22 NH1 ARG A 2 12.796 8.259 -7.814 1.00 0.00 N ATOM 23 NH2 ARG A 2 11.827 7.387 -5.972 1.00 0.00 N ATOM 0 H ARG A 2 5.502 7.207 -8.254 1.00 0.00 H new ATOM 0 HA ARG A 2 6.196 5.172 -8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.952 5.534 -5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.042 4.248 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.485 6.100 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.709 7.191 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.374 5.370 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.342 4.723 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 2 11.343 6.746 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.903 8.311 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.358 8.859 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.167 6.748 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.405 8.001 -5.399 1.00 0.00 H new ATOM 34 N LYS A 3 4.193 4.339 -6.961 1.00 0.00 N ATOM 35 CA LYS A 3 3.186 3.396 -6.419 1.00 0.00 C ATOM 36 C LYS A 3 2.381 3.926 -5.208 1.00 0.00 C ATOM 37 O LYS A 3 1.178 3.670 -5.122 1.00 0.00 O ATOM 38 CB LYS A 3 3.852 2.025 -6.157 1.00 0.00 C ATOM 39 CG LYS A 3 2.838 0.870 -6.052 1.00 0.00 C ATOM 40 CD LYS A 3 3.510 -0.511 -6.149 1.00 0.00 C ATOM 41 CE LYS A 3 4.505 -0.830 -5.018 1.00 0.00 C ATOM 42 NZ LYS A 3 3.828 -1.116 -3.723 1.00 0.00 N ATOM 0 H LYS A 3 3.876 4.758 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 3 2.418 3.276 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.556 1.810 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.429 2.079 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.303 0.945 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.097 0.967 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.734 -1.276 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.033 -0.578 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.111 -1.689 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.186 0.012 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.542 -1.324 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.270 -0.288 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.198 -1.936 -3.834 1.00 0.00 H new ATOM 52 N ALA A 4 3.006 4.696 -4.308 1.00 0.00 N ATOM 53 CA ALA A 4 2.360 5.392 -3.187 1.00 0.00 C ATOM 54 C ALA A 4 3.151 6.651 -2.777 1.00 0.00 C ATOM 55 O ALA A 4 4.361 6.590 -2.538 1.00 0.00 O ATOM 56 CB ALA A 4 2.210 4.415 -2.009 1.00 0.00 C ATOM 0 H ALA A 4 4.013 4.857 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 4 1.372 5.730 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.731 4.924 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.598 3.567 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.194 4.061 -1.703 1.00 0.00 H new ATOM 62 N GLY A 5 2.468 7.793 -2.641 1.00 0.00 N ATOM 63 CA GLY A 5 3.061 9.114 -2.359 1.00 0.00 C ATOM 64 C GLY A 5 3.442 9.310 -0.889 1.00 0.00 C ATOM 65 O GLY A 5 2.970 10.249 -0.251 1.00 0.00 O ATOM 0 H GLY A 5 1.452 7.829 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.949 9.244 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.354 9.891 -2.650 1.00 0.00 H new ATOM 69 N VAL A 6 4.288 8.418 -0.360 1.00 0.00 N ATOM 70 CA VAL A 6 4.718 8.375 1.057 1.00 0.00 C ATOM 71 C VAL A 6 5.944 7.478 1.272 1.00 0.00 C ATOM 72 O VAL A 6 6.896 7.871 1.946 1.00 0.00 O ATOM 73 CB VAL A 6 3.548 7.949 1.989 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.105 6.475 1.917 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.835 8.332 3.451 1.00 0.00 C ATOM 0 H VAL A 6 4.711 7.678 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 6 5.016 9.389 1.323 1.00 0.00 H new ATOM 0 HB VAL A 6 2.703 8.512 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.284 6.307 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.775 6.243 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.943 5.830 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.000 8.022 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.745 7.834 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.964 9.412 3.526 1.00 0.00 H new ATOM 85 N GLY A 7 5.908 6.282 0.676 1.00 0.00 N ATOM 86 CA GLY A 7 6.880 5.202 0.898 1.00 0.00 C ATOM 87 C GLY A 7 6.463 4.363 2.108 1.00 0.00 C ATOM 88 O GLY A 7 6.213 4.910 3.184 1.00 0.00 O ATOM 0 H GLY A 7 5.182 6.029 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.943 4.571 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.872 5.623 1.061 1.00 0.00 H new ATOM 92 N GLN A 8 6.355 3.044 1.931 1.00 0.00 N ATOM 93 CA GLN A 8 5.752 2.156 2.931 1.00 0.00 C ATOM 94 C GLN A 8 6.535 2.116 4.259 1.00 0.00 C ATOM 95 O GLN A 8 7.764 2.084 4.267 1.00 0.00 O ATOM 96 CB GLN A 8 5.547 0.730 2.392 1.00 0.00 C ATOM 97 CG GLN A 8 4.652 0.621 1.138 1.00 0.00 C ATOM 98 CD GLN A 8 5.434 0.842 -0.159 1.00 0.00 C ATOM 99 OE1 GLN A 8 5.513 1.943 -0.689 1.00 0.00 O ATOM 100 NE2 GLN A 8 6.091 -0.170 -0.689 1.00 0.00 N ATOM 0 H GLN A 8 6.682 2.562 1.094 1.00 0.00 H new ATOM 0 HA GLN A 8 4.774 2.589 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.523 0.303 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.112 0.119 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.184 -0.363 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.848 1.354 1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.036 -1.094 -0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.654 -0.029 -1.528 1.00 0.00 H new ATOM 107 N SER A 9 5.777 2.090 5.365 1.00 0.00 N ATOM 108 CA SER A 9 6.141 2.231 6.795 1.00 0.00 C ATOM 109 C SER A 9 4.899 2.754 7.558 1.00 0.00 C ATOM 110 O SER A 9 4.840 3.908 7.996 1.00 0.00 O ATOM 111 CB SER A 9 7.400 3.097 7.043 1.00 0.00 C ATOM 112 OG SER A 9 7.762 3.104 8.422 1.00 0.00 O ATOM 0 H SER A 9 4.770 1.953 5.274 1.00 0.00 H new ATOM 0 HA SER A 9 6.427 1.251 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.230 2.714 6.449 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.213 4.118 6.709 1.00 0.00 H new ATOM 0 HG SER A 9 8.561 3.657 8.548 1.00 0.00 H new ATOM 117 N TRP A 10 3.849 1.918 7.643 1.00 0.00 N ATOM 118 CA TRP A 10 2.553 2.261 8.259 1.00 0.00 C ATOM 119 C TRP A 10 1.790 1.006 8.730 1.00 0.00 C ATOM 120 O TRP A 10 1.586 0.834 9.933 1.00 0.00 O ATOM 121 CB TRP A 10 1.732 3.165 7.310 1.00 0.00 C ATOM 122 CG TRP A 10 1.199 2.566 6.039 1.00 0.00 C ATOM 123 CD1 TRP A 10 1.882 2.378 4.887 1.00 0.00 C ATOM 124 CD2 TRP A 10 -0.165 2.126 5.756 1.00 0.00 C ATOM 125 NE1 TRP A 10 1.057 1.807 3.937 1.00 0.00 N ATOM 126 CE2 TRP A 10 -0.222 1.636 4.418 1.00 0.00 C ATOM 127 CE3 TRP A 10 -1.358 2.069 6.508 1.00 0.00 C ATOM 128 CZ2 TRP A 10 -1.392 1.102 3.862 1.00 0.00 C ATOM 129 CZ3 TRP A 10 -2.560 1.607 5.934 1.00 0.00 C ATOM 130 CH2 TRP A 10 -2.576 1.112 4.618 1.00 0.00 C ATOM 0 H TRP A 10 3.877 0.966 7.278 1.00 0.00 H new ATOM 0 HA TRP A 10 2.737 2.838 9.166 1.00 0.00 H new ATOM 0 HB2 TRP A 10 0.885 3.556 7.874 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.356 4.017 7.040 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.919 2.636 4.732 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.357 1.545 2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.350 2.385 7.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.384 0.688 2.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.474 1.633 6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.495 0.741 4.190 1.00 0.00 H new ATOM 140 N LYS A 11 1.447 0.105 7.794 1.00 0.00 N ATOM 141 CA LYS A 11 0.912 -1.257 8.028 1.00 0.00 C ATOM 142 C LYS A 11 0.939 -2.140 6.757 1.00 0.00 C ATOM 143 O LYS A 11 1.223 -3.332 6.850 1.00 0.00 O ATOM 144 CB LYS A 11 -0.481 -1.244 8.718 1.00 0.00 C ATOM 145 CG LYS A 11 -1.686 -1.003 7.795 1.00 0.00 C ATOM 146 CD LYS A 11 -2.410 -2.285 7.363 1.00 0.00 C ATOM 147 CE LYS A 11 -3.400 -1.972 6.228 1.00 0.00 C ATOM 148 NZ LYS A 11 -4.208 -3.173 5.875 1.00 0.00 N ATOM 0 H LYS A 11 1.538 0.313 6.800 1.00 0.00 H new ATOM 0 HA LYS A 11 1.595 -1.728 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.622 -2.198 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.477 -0.471 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.396 -0.352 8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.348 -0.472 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.685 -3.028 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.941 -2.716 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.062 -1.161 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.854 -1.626 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.867 -2.934 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.576 -3.937 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.746 -3.487 6.708 1.00 0.00 H new ATOM 158 N GLU A 12 0.660 -1.521 5.595 1.00 0.00 N ATOM 159 CA GLU A 12 0.647 -2.057 4.221 1.00 0.00 C ATOM 160 C GLU A 12 -0.584 -2.931 3.926 1.00 0.00 C ATOM 161 O GLU A 12 -0.848 -3.927 4.600 1.00 0.00 O ATOM 162 CB GLU A 12 1.948 -2.790 3.843 1.00 0.00 C ATOM 163 CG GLU A 12 3.113 -1.806 3.724 1.00 0.00 C ATOM 164 CD GLU A 12 4.432 -2.560 3.491 1.00 0.00 C ATOM 165 OE1 GLU A 12 4.748 -2.896 2.327 1.00 0.00 O ATOM 166 OE2 GLU A 12 5.165 -2.819 4.477 1.00 0.00 O ATOM 0 H GLU A 12 0.413 -0.531 5.595 1.00 0.00 H new ATOM 0 HA GLU A 12 0.578 -1.177 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.178 -3.543 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.813 -3.316 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.931 -1.116 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.185 -1.207 4.632 1.00 0.00 H new ATOM 171 N ASN A 13 -1.334 -2.563 2.879 1.00 0.00 N ATOM 172 CA ASN A 13 -2.446 -3.363 2.352 1.00 0.00 C ATOM 173 C ASN A 13 -1.978 -4.484 1.401 1.00 0.00 C ATOM 174 O ASN A 13 -2.505 -5.596 1.474 1.00 0.00 O ATOM 175 CB ASN A 13 -3.482 -2.432 1.688 1.00 0.00 C ATOM 176 CG ASN A 13 -2.929 -1.580 0.545 1.00 0.00 C ATOM 177 OD1 ASN A 13 -2.484 -0.458 0.747 1.00 0.00 O ATOM 178 ND2 ASN A 13 -2.901 -2.084 -0.675 1.00 0.00 N ATOM 0 H ASN A 13 -1.184 -1.692 2.369 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.920 -3.876 3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.305 -3.038 1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.898 -1.771 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.510 -1.539 -1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.270 -3.019 -0.849 1.00 0.00 H new ATOM 184 N SER A 14 -1.010 -4.189 0.518 1.00 0.00 N ATOM 185 CA SER A 14 -0.538 -5.042 -0.601 1.00 0.00 C ATOM 186 C SER A 14 -1.640 -5.336 -1.658 1.00 0.00 C ATOM 187 O SER A 14 -2.833 -5.136 -1.387 1.00 0.00 O ATOM 188 CB SER A 14 0.068 -6.367 -0.078 1.00 0.00 C ATOM 189 OG SER A 14 1.138 -6.116 0.830 1.00 0.00 O ATOM 0 H SER A 14 -0.505 -3.304 0.562 1.00 0.00 H new ATOM 0 HA SER A 14 0.239 -4.467 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.705 -6.954 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.430 -6.962 -0.917 1.00 0.00 H new ATOM 0 HG SER A 14 1.504 -6.968 1.148 1.00 0.00 H new ATOM 194 N PRO A 15 -1.277 -5.804 -2.872 1.00 0.00 N ATOM 195 CA PRO A 15 -2.245 -6.334 -3.835 1.00 0.00 C ATOM 196 C PRO A 15 -2.641 -7.783 -3.477 1.00 0.00 C ATOM 197 O PRO A 15 -3.657 -8.268 -3.973 1.00 0.00 O ATOM 198 CB PRO A 15 -1.541 -6.256 -5.195 1.00 0.00 C ATOM 199 CG PRO A 15 -0.066 -6.429 -4.840 1.00 0.00 C ATOM 200 CD PRO A 15 0.048 -5.724 -3.486 1.00 0.00 C ATOM 0 HA PRO A 15 -3.176 -5.767 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.886 -7.038 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.726 -5.302 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.212 -7.481 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.585 -5.975 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.798 -6.206 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.357 -4.686 -3.612 1.00 0.00 H new ATOM 205 N LEU A 16 -1.826 -8.468 -2.644 1.00 0.00 N ATOM 206 CA LEU A 16 -1.972 -9.822 -2.065 1.00 0.00 C ATOM 207 C LEU A 16 -2.275 -10.939 -3.086 1.00 0.00 C ATOM 208 O LEU A 16 -2.703 -12.039 -2.733 1.00 0.00 O ATOM 209 CB LEU A 16 -2.883 -9.805 -0.817 1.00 0.00 C ATOM 210 CG LEU A 16 -4.386 -9.680 -1.130 1.00 0.00 C ATOM 211 CD1 LEU A 16 -5.204 -10.735 -0.369 1.00 0.00 C ATOM 212 CD2 LEU A 16 -4.932 -8.286 -0.792 1.00 0.00 C ATOM 0 H LEU A 16 -0.956 -8.039 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.983 -10.113 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.717 -10.720 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.587 -8.974 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.488 -9.844 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.261 -10.620 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.871 -11.732 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.061 -10.602 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.995 -8.244 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.789 -8.087 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.400 -7.535 -1.377 1.00 0.00 H new ATOM 223 N ASN A 17 -2.044 -10.622 -4.361 1.00 0.00 N ATOM 224 CA ASN A 17 -2.128 -11.495 -5.536 1.00 0.00 C ATOM 225 C ASN A 17 -3.584 -11.803 -5.970 1.00 0.00 C ATOM 226 O ASN A 17 -3.865 -12.878 -6.509 1.00 0.00 O ATOM 227 CB ASN A 17 -1.211 -12.731 -5.351 1.00 0.00 C ATOM 228 CG ASN A 17 -0.249 -12.892 -6.522 1.00 0.00 C ATOM 229 OD1 ASN A 17 -0.393 -13.770 -7.367 1.00 0.00 O ATOM 230 ND2 ASN A 17 0.757 -12.035 -6.603 1.00 0.00 N ATOM 0 H ASN A 17 -1.772 -9.674 -4.621 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.737 -10.956 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.645 -12.630 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.823 -13.628 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.422 -12.101 -7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.867 -11.309 -5.895 1.00 0.00 H new ATOM 236 N VAL A 18 -4.519 -10.860 -5.744 1.00 0.00 N ATOM 237 CA VAL A 18 -5.934 -10.967 -6.190 1.00 0.00 C ATOM 238 C VAL A 18 -6.032 -11.167 -7.714 1.00 0.00 C ATOM 239 O VAL A 18 -6.817 -12.000 -8.170 1.00 0.00 O ATOM 240 CB VAL A 18 -6.769 -9.727 -5.766 1.00 0.00 C ATOM 241 CG1 VAL A 18 -8.172 -9.673 -6.399 1.00 0.00 C ATOM 242 CG2 VAL A 18 -6.951 -9.690 -4.241 1.00 0.00 C ATOM 0 H VAL A 18 -4.319 -9.994 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.350 -11.845 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.198 -8.870 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.692 -8.779 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.080 -9.644 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.738 -10.558 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.538 -8.814 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.469 -10.592 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.975 -9.638 -3.759 1.00 0.00 H new ATOM 252 N SER A 19 -5.224 -10.428 -8.494 1.00 0.00 N ATOM 253 CA SER A 19 -5.108 -10.572 -9.959 1.00 0.00 C ATOM 254 C SER A 19 -4.021 -11.583 -10.348 1.00 0.00 C ATOM 255 O SER A 19 -2.834 -11.369 -9.995 1.00 0.00 O ATOM 256 CB SER A 19 -4.847 -9.203 -10.594 1.00 0.00 C ATOM 257 OG SER A 19 -5.015 -9.304 -12.000 1.00 0.00 O ATOM 258 OXT SER A 19 -4.357 -12.611 -10.983 1.00 0.00 O ATOM 0 H SER A 19 -4.620 -9.698 -8.117 1.00 0.00 H new ATOM 0 HA SER A 19 -6.051 -10.964 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.534 -8.462 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.837 -8.866 -10.359 1.00 0.00 H new ATOM 0 HG SER A 19 -4.851 -8.430 -12.413 1.00 0.00 H new TER 263 SER A 19