USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 hydrogens (6 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 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 18 ASN : amide:sc= 0.746 X(o=1.4,f=1.6) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0.668 USER MOD Set 2.1: A 23 ASN : amide:sc= 0.703 K(o=1.4,f=-2.3) USER MOD Set 2.2: A 27 ASN : amide:sc= 0.739 K(o=1.4,f=-2.3!) USER MOD Set 3.1: A 19 ASN : amide:sc= 1.04 K(o=2.1,f=-6.9!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -171:sc= 1.1 (180deg=-0.0455) USER MOD Set 4.1: A 10 THR OG1 : rot 165:sc= 1.49 USER MOD Set 4.2: A 24 GLN : amide:sc= -0.831 K(o=0.66,f=-0.23!) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.2) USER MOD Single : A 8 SER OG : rot -73:sc= 0.554 USER MOD Single : A 12 SER OG : rot 25:sc= 1.47 USER MOD Single : A 17 ASN : amide:sc= 0.899 K(o=0.9,f=-6.5!) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 2.85 (180deg=1.4) USER MOD Single : A 33 HIS : no HD1:sc= -0.289 K(o=-0.29,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= -0.546 K(o=-0.55,f=-0.008) USER MOD Single : A 38 TYR OH : rot -13:sc= 1.21 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 3.13 (180deg=0.722) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -2.675 -1.190 2.429 1.00 1.00 N HETATM 2 CA PCA A 1 -2.823 -0.264 3.538 1.00 1.00 C HETATM 3 CB PCA A 1 -3.101 -1.151 4.766 1.00 1.00 C HETATM 4 CG PCA A 1 -2.682 -2.558 4.319 1.00 1.00 C HETATM 5 CD PCA A 1 -2.585 -2.456 2.812 1.00 1.00 C HETATM 6 OE PCA A 1 -2.413 -3.416 2.069 1.00 1.00 O HETATM 7 C PCA A 1 -1.555 0.574 3.700 1.00 1.00 C HETATM 8 O PCA A 1 -1.627 1.795 3.823 1.00 1.00 O HETATM 0 H2 PCA A 1 -3.543 -1.754 2.329 1.00 1.00 H new HETATM 0 HA PCA A 1 -3.631 0.452 3.388 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -2.528 -0.822 5.633 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -4.153 -1.120 5.049 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -1.729 -2.849 4.761 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -3.415 -3.306 4.621 1.00 1.00 H new ATOM 15 N LYS A 2 -0.393 -0.089 3.673 1.00 1.00 N ATOM 16 CA LYS A 2 0.902 0.577 3.668 1.00 1.00 C ATOM 17 C LYS A 2 0.973 1.584 2.521 1.00 1.00 C ATOM 18 O LYS A 2 0.314 1.405 1.496 1.00 1.00 O ATOM 19 CB LYS A 2 2.037 -0.461 3.613 1.00 1.00 C ATOM 20 CG LYS A 2 2.069 -1.356 2.355 1.00 1.00 C ATOM 21 CD LYS A 2 2.760 -0.779 1.106 1.00 1.00 C ATOM 22 CE LYS A 2 4.266 -0.536 1.278 1.00 1.00 C ATOM 23 NZ LYS A 2 4.838 0.128 0.090 1.00 1.00 N ATOM 0 H LYS A 2 -0.331 -1.107 3.654 1.00 1.00 H new ATOM 0 HA LYS A 2 1.027 1.137 4.595 1.00 1.00 H new ATOM 0 HB2 LYS A 2 2.989 0.065 3.686 1.00 1.00 H new ATOM 0 HB3 LYS A 2 1.960 -1.103 4.491 1.00 1.00 H new ATOM 0 HG2 LYS A 2 2.566 -2.290 2.616 1.00 1.00 H new ATOM 0 HG3 LYS A 2 1.041 -1.605 2.090 1.00 1.00 H new ATOM 0 HD2 LYS A 2 2.606 -1.462 0.271 1.00 1.00 H new ATOM 0 HD3 LYS A 2 2.279 0.162 0.840 1.00 1.00 H new ATOM 0 HE2 LYS A 2 4.439 0.079 2.161 1.00 1.00 H new ATOM 0 HE3 LYS A 2 4.773 -1.486 1.447 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 5.856 -0.076 0.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 4.367 -0.227 -0.767 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 4.694 1.155 0.164 1.00 1.00 H new ATOM 37 N LEU A 3 1.769 2.642 2.674 1.00 1.00 N ATOM 38 CA LEU A 3 1.815 3.703 1.681 1.00 1.00 C ATOM 39 C LEU A 3 2.713 3.337 0.495 1.00 1.00 C ATOM 40 O LEU A 3 3.613 2.503 0.609 1.00 1.00 O ATOM 41 CB LEU A 3 2.288 5.013 2.316 1.00 1.00 C ATOM 42 CG LEU A 3 1.331 5.576 3.380 1.00 1.00 C ATOM 43 CD1 LEU A 3 2.061 6.631 4.220 1.00 1.00 C ATOM 44 CD2 LEU A 3 0.093 6.211 2.745 1.00 1.00 C ATOM 0 H LEU A 3 2.386 2.783 3.474 1.00 1.00 H new ATOM 0 HA LEU A 3 0.802 3.835 1.301 1.00 1.00 H new ATOM 0 HB2 LEU A 3 3.265 4.852 2.771 1.00 1.00 H new ATOM 0 HB3 LEU A 3 2.420 5.758 1.531 1.00 1.00 H new ATOM 0 HG LEU A 3 1.006 4.747 4.009 1.00 1.00 H new ATOM 0 HD11 LEU A 3 1.382 7.029 4.974 1.00 1.00 H new ATOM 0 HD12 LEU A 3 2.920 6.174 4.711 1.00 1.00 H new ATOM 0 HD13 LEU A 3 2.400 7.440 3.573 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -0.560 6.598 3.528 1.00 1.00 H new ATOM 0 HD22 LEU A 3 0.398 7.028 2.091 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -0.443 5.461 2.163 1.00 1.00 H new ATOM 56 N CYS A 4 2.476 3.994 -0.639 1.00 1.00 N ATOM 57 CA CYS A 4 3.312 3.987 -1.831 1.00 1.00 C ATOM 58 C CYS A 4 3.337 5.413 -2.375 1.00 1.00 C ATOM 59 O CYS A 4 2.354 6.149 -2.247 1.00 1.00 O ATOM 60 CB CYS A 4 2.787 3.008 -2.888 1.00 1.00 C ATOM 61 SG CYS A 4 3.351 1.295 -2.702 1.00 1.00 S ATOM 0 H CYS A 4 1.647 4.578 -0.754 1.00 1.00 H new ATOM 0 HA CYS A 4 4.318 3.651 -1.577 1.00 1.00 H new ATOM 0 HB2 CYS A 4 1.697 3.020 -2.861 1.00 1.00 H new ATOM 0 HB3 CYS A 4 3.086 3.367 -3.873 1.00 1.00 H new ATOM 66 N GLU A 5 4.484 5.802 -2.930 1.00 1.00 N ATOM 67 CA GLU A 5 4.776 7.138 -3.412 1.00 1.00 C ATOM 68 C GLU A 5 4.325 7.290 -4.865 1.00 1.00 C ATOM 69 O GLU A 5 4.554 6.400 -5.680 1.00 1.00 O ATOM 70 CB GLU A 5 6.290 7.390 -3.324 1.00 1.00 C ATOM 71 CG GLU A 5 6.838 7.397 -1.888 1.00 1.00 C ATOM 72 CD GLU A 5 7.043 6.017 -1.262 1.00 1.00 C ATOM 73 OE1 GLU A 5 6.833 4.994 -1.915 1.00 1.00 O ATOM 74 OE2 GLU A 5 7.462 6.012 0.030 1.00 1.00 O ATOM 0 H GLU A 5 5.266 5.160 -3.059 1.00 1.00 H new ATOM 0 HA GLU A 5 4.240 7.860 -2.797 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.810 6.622 -3.897 1.00 1.00 H new ATOM 0 HB3 GLU A 5 6.517 8.347 -3.794 1.00 1.00 H new ATOM 0 HG2 GLU A 5 7.791 7.926 -1.883 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.154 7.966 -1.258 1.00 1.00 H new ATOM 82 N ARG A 6 3.713 8.429 -5.189 1.00 1.00 N ATOM 83 CA ARG A 6 3.414 8.857 -6.551 1.00 1.00 C ATOM 84 C ARG A 6 3.802 10.336 -6.613 1.00 1.00 C ATOM 85 O ARG A 6 3.704 11.006 -5.582 1.00 1.00 O ATOM 86 CB ARG A 6 1.896 8.725 -6.807 1.00 1.00 C ATOM 87 CG ARG A 6 1.458 8.072 -8.126 1.00 1.00 C ATOM 88 CD ARG A 6 0.191 8.718 -8.712 1.00 1.00 C ATOM 89 NE ARG A 6 0.416 10.116 -9.137 1.00 1.00 N ATOM 90 CZ ARG A 6 -0.476 10.890 -9.778 1.00 1.00 C ATOM 91 NH1 ARG A 6 -1.668 10.394 -10.124 1.00 1.00 N ATOM 92 NH2 ARG A 6 -0.190 12.165 -10.054 1.00 1.00 N ATOM 0 H ARG A 6 3.403 9.099 -4.486 1.00 1.00 H new ATOM 0 HA ARG A 6 3.947 8.260 -7.291 1.00 1.00 H new ATOM 0 HB2 ARG A 6 1.464 8.151 -5.987 1.00 1.00 H new ATOM 0 HB3 ARG A 6 1.459 9.722 -6.763 1.00 1.00 H new ATOM 0 HG2 ARG A 6 2.268 8.147 -8.851 1.00 1.00 H new ATOM 0 HG3 ARG A 6 1.276 7.010 -7.959 1.00 1.00 H new ATOM 0 HD2 ARG A 6 -0.151 8.132 -9.565 1.00 1.00 H new ATOM 0 HD3 ARG A 6 -0.605 8.691 -7.968 1.00 1.00 H new ATOM 0 HE ARG A 6 1.325 10.528 -8.926 1.00 1.00 H new ATOM 0 HH11 ARG A 6 -1.902 9.426 -9.901 1.00 1.00 H new ATOM 0 HH12 ARG A 6 -2.344 10.983 -10.611 1.00 1.00 H new ATOM 0 HH21 ARG A 6 0.710 12.557 -9.778 1.00 1.00 H new ATOM 0 HH22 ARG A 6 -0.872 12.747 -10.541 1.00 1.00 H new ATOM 106 N PRO A 7 4.231 10.881 -7.762 1.00 1.00 N ATOM 107 CA PRO A 7 4.322 12.325 -7.895 1.00 1.00 C ATOM 108 C PRO A 7 2.873 12.783 -7.668 1.00 1.00 C ATOM 109 O PRO A 7 1.963 12.166 -8.230 1.00 1.00 O ATOM 110 CB PRO A 7 4.882 12.574 -9.297 1.00 1.00 C ATOM 111 CG PRO A 7 4.495 11.321 -10.081 1.00 1.00 C ATOM 112 CD PRO A 7 4.505 10.216 -9.023 1.00 1.00 C ATOM 0 HA PRO A 7 4.972 12.866 -7.207 1.00 1.00 H new ATOM 0 HB2 PRO A 7 4.454 13.472 -9.744 1.00 1.00 H new ATOM 0 HB3 PRO A 7 5.963 12.713 -9.276 1.00 1.00 H new ATOM 0 HG2 PRO A 7 3.513 11.425 -10.543 1.00 1.00 H new ATOM 0 HG3 PRO A 7 5.204 11.115 -10.883 1.00 1.00 H new ATOM 0 HD2 PRO A 7 3.751 9.459 -9.239 1.00 1.00 H new ATOM 0 HD3 PRO A 7 5.469 9.707 -8.997 1.00 1.00 H new ATOM 120 N SER A 8 2.654 13.756 -6.775 1.00 1.00 N ATOM 121 CA SER A 8 1.323 14.073 -6.256 1.00 1.00 C ATOM 122 C SER A 8 0.201 14.041 -7.292 1.00 1.00 C ATOM 123 O SER A 8 0.378 14.497 -8.420 1.00 1.00 O ATOM 124 CB SER A 8 1.311 15.373 -5.452 1.00 1.00 C ATOM 125 OG SER A 8 1.303 16.504 -6.283 1.00 1.00 O ATOM 0 H SER A 8 3.395 14.344 -6.394 1.00 1.00 H new ATOM 0 HA SER A 8 1.099 13.251 -5.576 1.00 1.00 H new ATOM 0 HB2 SER A 8 0.434 15.392 -4.806 1.00 1.00 H new ATOM 0 HB3 SER A 8 2.186 15.406 -4.803 1.00 1.00 H new ATOM 0 HG SER A 8 2.187 16.616 -6.691 1.00 1.00 H new ATOM 131 N GLY A 9 -0.939 13.462 -6.885 1.00 1.00 N ATOM 132 CA GLY A 9 -2.146 13.260 -7.674 1.00 1.00 C ATOM 133 C GLY A 9 -2.306 14.326 -8.749 1.00 1.00 C ATOM 134 O GLY A 9 -2.293 14.001 -9.938 1.00 1.00 O ATOM 0 H GLY A 9 -1.040 13.103 -5.936 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -2.114 12.276 -8.141 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -3.016 13.273 -7.017 1.00 1.00 H new ATOM 138 N THR A 10 -2.394 15.577 -8.300 1.00 1.00 N ATOM 139 CA THR A 10 -2.491 16.761 -9.129 1.00 1.00 C ATOM 140 C THR A 10 -1.090 17.223 -9.552 1.00 1.00 C ATOM 141 O THR A 10 -0.689 17.084 -10.707 1.00 1.00 O ATOM 142 CB THR A 10 -3.200 17.837 -8.291 1.00 1.00 C ATOM 143 OG1 THR A 10 -2.624 17.897 -6.995 1.00 1.00 O ATOM 144 CG2 THR A 10 -4.681 17.519 -8.100 1.00 1.00 C ATOM 0 H THR A 10 -2.399 15.794 -7.303 1.00 1.00 H new ATOM 0 HA THR A 10 -3.053 16.562 -10.041 1.00 1.00 H new ATOM 0 HB THR A 10 -3.088 18.779 -8.827 1.00 1.00 H new ATOM 0 HG1 THR A 10 -2.899 18.727 -6.553 1.00 1.00 H new ATOM 0 HG21 THR A 10 -5.147 18.303 -7.503 1.00 1.00 H new ATOM 0 HG22 THR A 10 -5.170 17.465 -9.073 1.00 1.00 H new ATOM 0 HG23 THR A 10 -4.785 16.562 -7.588 1.00 1.00 H new ATOM 152 N TRP A 11 -0.362 17.817 -8.605 1.00 1.00 N ATOM 153 CA TRP A 11 0.899 18.508 -8.827 1.00 1.00 C ATOM 154 C TRP A 11 2.025 17.491 -9.039 1.00 1.00 C ATOM 155 O TRP A 11 2.940 17.372 -8.227 1.00 1.00 O ATOM 156 CB TRP A 11 1.136 19.469 -7.647 1.00 1.00 C ATOM 157 CG TRP A 11 2.338 20.370 -7.626 1.00 1.00 C ATOM 158 CD1 TRP A 11 3.336 20.445 -8.537 1.00 1.00 C ATOM 159 CD2 TRP A 11 2.679 21.340 -6.592 1.00 1.00 C ATOM 160 NE1 TRP A 11 4.274 21.370 -8.123 1.00 1.00 N ATOM 161 CE2 TRP A 11 3.915 21.956 -6.930 1.00 1.00 C ATOM 162 CE3 TRP A 11 2.059 21.767 -5.401 1.00 1.00 C ATOM 163 CZ2 TRP A 11 4.513 22.934 -6.120 1.00 1.00 C ATOM 164 CZ3 TRP A 11 2.653 22.734 -4.572 1.00 1.00 C ATOM 165 CH2 TRP A 11 3.888 23.303 -4.919 1.00 1.00 C ATOM 0 H TRP A 11 -0.650 17.828 -7.627 1.00 1.00 H new ATOM 0 HA TRP A 11 0.873 19.108 -9.737 1.00 1.00 H new ATOM 0 HB2 TRP A 11 0.255 20.106 -7.569 1.00 1.00 H new ATOM 0 HB3 TRP A 11 1.172 18.863 -6.741 1.00 1.00 H new ATOM 0 HD1 TRP A 11 3.391 19.869 -9.449 1.00 1.00 H new ATOM 0 HE1 TRP A 11 5.127 21.592 -8.637 1.00 1.00 H new ATOM 0 HE3 TRP A 11 1.107 21.342 -5.119 1.00 1.00 H new ATOM 0 HZ2 TRP A 11 5.442 23.397 -6.417 1.00 1.00 H new ATOM 0 HZ3 TRP A 11 2.157 23.041 -3.663 1.00 1.00 H new ATOM 0 HH2 TRP A 11 4.356 24.023 -4.264 1.00 1.00 H new ATOM 176 N SER A 12 2.019 16.808 -10.181 1.00 1.00 N ATOM 177 CA SER A 12 3.097 15.897 -10.533 1.00 1.00 C ATOM 178 C SER A 12 4.170 16.710 -11.248 1.00 1.00 C ATOM 179 O SER A 12 4.348 16.592 -12.458 1.00 1.00 O ATOM 180 CB SER A 12 2.556 14.768 -11.415 1.00 1.00 C ATOM 181 OG SER A 12 1.733 13.933 -10.629 1.00 1.00 O ATOM 0 H SER A 12 1.277 16.871 -10.878 1.00 1.00 H new ATOM 0 HA SER A 12 3.528 15.431 -9.647 1.00 1.00 H new ATOM 0 HB2 SER A 12 1.989 15.180 -12.250 1.00 1.00 H new ATOM 0 HB3 SER A 12 3.379 14.194 -11.841 1.00 1.00 H new ATOM 0 HG SER A 12 1.376 14.444 -9.873 1.00 1.00 H new ATOM 187 N GLY A 13 4.865 17.556 -10.484 1.00 1.00 N ATOM 188 CA GLY A 13 5.854 18.473 -11.022 1.00 1.00 C ATOM 189 C GLY A 13 6.790 18.998 -9.938 1.00 1.00 C ATOM 190 O GLY A 13 6.848 18.461 -8.828 1.00 1.00 O ATOM 0 H GLY A 13 4.752 17.619 -9.472 1.00 1.00 H new ATOM 0 HA2 GLY A 13 6.437 17.968 -11.792 1.00 1.00 H new ATOM 0 HA3 GLY A 13 5.349 19.311 -11.503 1.00 1.00 H new ATOM 194 N VAL A 14 7.539 20.047 -10.290 1.00 1.00 N ATOM 195 CA VAL A 14 8.566 20.638 -9.446 1.00 1.00 C ATOM 196 C VAL A 14 7.910 21.227 -8.195 1.00 1.00 C ATOM 197 O VAL A 14 6.926 21.952 -8.316 1.00 1.00 O ATOM 198 CB VAL A 14 9.345 21.712 -10.227 1.00 1.00 C ATOM 199 CG1 VAL A 14 10.485 22.320 -9.399 1.00 1.00 C ATOM 200 CG2 VAL A 14 9.945 21.141 -11.522 1.00 1.00 C ATOM 0 H VAL A 14 7.441 20.515 -11.191 1.00 1.00 H new ATOM 0 HA VAL A 14 9.278 19.872 -9.140 1.00 1.00 H new ATOM 0 HB VAL A 14 8.619 22.490 -10.463 1.00 1.00 H new ATOM 0 HG11 VAL A 14 11.005 23.072 -9.993 1.00 1.00 H new ATOM 0 HG12 VAL A 14 10.075 22.785 -8.502 1.00 1.00 H new ATOM 0 HG13 VAL A 14 11.186 21.535 -9.113 1.00 1.00 H new ATOM 0 HG21 VAL A 14 10.488 21.926 -12.048 1.00 1.00 H new ATOM 0 HG22 VAL A 14 10.628 20.328 -11.279 1.00 1.00 H new ATOM 0 HG23 VAL A 14 9.145 20.764 -12.159 1.00 1.00 H new ATOM 210 N CYS A 15 8.444 20.918 -7.011 1.00 1.00 N ATOM 211 CA CYS A 15 7.887 21.346 -5.727 1.00 1.00 C ATOM 212 C CYS A 15 8.577 22.580 -5.172 1.00 1.00 C ATOM 213 O CYS A 15 7.907 23.539 -4.798 1.00 1.00 O ATOM 214 CB CYS A 15 7.929 20.240 -4.670 1.00 1.00 C ATOM 215 SG CYS A 15 9.511 19.432 -4.378 1.00 1.00 S ATOM 0 H CYS A 15 9.289 20.354 -6.917 1.00 1.00 H new ATOM 0 HA CYS A 15 6.847 21.590 -5.943 1.00 1.00 H new ATOM 0 HB2 CYS A 15 7.588 20.664 -3.725 1.00 1.00 H new ATOM 0 HB3 CYS A 15 7.207 19.474 -4.955 1.00 1.00 H new ATOM 220 N GLY A 16 9.900 22.533 -5.002 1.00 1.00 N ATOM 221 CA GLY A 16 10.631 23.562 -4.274 1.00 1.00 C ATOM 222 C GLY A 16 10.405 23.476 -2.755 1.00 1.00 C ATOM 223 O GLY A 16 11.368 23.526 -1.995 1.00 1.00 O ATOM 0 H GLY A 16 10.489 21.783 -5.365 1.00 1.00 H new ATOM 0 HA2 GLY A 16 11.696 23.467 -4.486 1.00 1.00 H new ATOM 0 HA3 GLY A 16 10.322 24.545 -4.630 1.00 1.00 H new ATOM 227 N ASN A 17 9.147 23.361 -2.310 1.00 1.00 N ATOM 228 CA ASN A 17 8.743 23.455 -0.909 1.00 1.00 C ATOM 229 C ASN A 17 7.838 22.294 -0.470 1.00 1.00 C ATOM 230 O ASN A 17 6.777 22.066 -1.052 1.00 1.00 O ATOM 231 CB ASN A 17 8.016 24.785 -0.688 1.00 1.00 C ATOM 232 CG ASN A 17 7.534 24.896 0.754 1.00 1.00 C ATOM 233 OD1 ASN A 17 6.365 24.664 1.043 1.00 1.00 O ATOM 234 ND2 ASN A 17 8.433 25.215 1.679 1.00 1.00 N ATOM 0 H ASN A 17 8.361 23.195 -2.938 1.00 1.00 H new ATOM 0 HA ASN A 17 9.647 23.400 -0.302 1.00 1.00 H new ATOM 0 HB2 ASN A 17 8.684 25.614 -0.919 1.00 1.00 H new ATOM 0 HB3 ASN A 17 7.168 24.860 -1.368 1.00 1.00 H new ATOM 0 HD21 ASN A 17 8.158 25.272 2.659 1.00 1.00 H new ATOM 0 HD22 ASN A 17 9.398 25.403 1.409 1.00 1.00 H new ATOM 241 N ASN A 18 8.243 21.604 0.605 1.00 1.00 N ATOM 242 CA ASN A 18 7.505 20.567 1.307 1.00 1.00 C ATOM 243 C ASN A 18 6.058 20.955 1.573 1.00 1.00 C ATOM 244 O ASN A 18 5.128 20.289 1.130 1.00 1.00 O ATOM 245 CB ASN A 18 8.208 20.351 2.653 1.00 1.00 C ATOM 246 CG ASN A 18 7.383 19.467 3.576 1.00 1.00 C ATOM 247 OD1 ASN A 18 6.656 19.962 4.432 1.00 1.00 O ATOM 248 ND2 ASN A 18 7.448 18.159 3.398 1.00 1.00 N ATOM 0 H ASN A 18 9.156 21.773 1.028 1.00 1.00 H new ATOM 0 HA ASN A 18 7.489 19.669 0.689 1.00 1.00 H new ATOM 0 HB2 ASN A 18 9.184 19.895 2.486 1.00 1.00 H new ATOM 0 HB3 ASN A 18 8.384 21.314 3.132 1.00 1.00 H new ATOM 0 HD21 ASN A 18 6.886 17.537 3.979 1.00 1.00 H new ATOM 0 HD22 ASN A 18 8.060 17.772 2.680 1.00 1.00 H new ATOM 255 N ASN A 19 5.899 22.003 2.373 1.00 1.00 N ATOM 256 CA ASN A 19 4.617 22.384 2.941 1.00 1.00 C ATOM 257 C ASN A 19 3.546 22.595 1.879 1.00 1.00 C ATOM 258 O ASN A 19 2.439 22.080 2.028 1.00 1.00 O ATOM 259 CB ASN A 19 4.741 23.604 3.857 1.00 1.00 C ATOM 260 CG ASN A 19 3.409 23.843 4.566 1.00 1.00 C ATOM 261 OD1 ASN A 19 2.879 22.935 5.206 1.00 1.00 O ATOM 262 ND2 ASN A 19 2.845 25.039 4.445 1.00 1.00 N ATOM 0 H ASN A 19 6.666 22.617 2.647 1.00 1.00 H new ATOM 0 HA ASN A 19 4.292 21.543 3.553 1.00 1.00 H new ATOM 0 HB2 ASN A 19 5.532 23.444 4.590 1.00 1.00 H new ATOM 0 HB3 ASN A 19 5.019 24.483 3.275 1.00 1.00 H new ATOM 0 HD21 ASN A 19 1.946 25.226 4.890 1.00 1.00 H new ATOM 0 HD22 ASN A 19 3.310 25.770 3.907 1.00 1.00 H new ATOM 269 N ALA A 20 3.875 23.342 0.823 1.00 1.00 N ATOM 270 CA ALA A 20 2.956 23.579 -0.281 1.00 1.00 C ATOM 271 C ALA A 20 2.535 22.254 -0.901 1.00 1.00 C ATOM 272 O ALA A 20 1.344 21.953 -0.954 1.00 1.00 O ATOM 273 CB ALA A 20 3.597 24.464 -1.350 1.00 1.00 C ATOM 0 H ALA A 20 4.782 23.795 0.714 1.00 1.00 H new ATOM 0 HA ALA A 20 2.080 24.093 0.113 1.00 1.00 H new ATOM 0 HB1 ALA A 20 2.888 24.624 -2.162 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.870 25.424 -0.912 1.00 1.00 H new ATOM 0 HB3 ALA A 20 4.490 23.975 -1.739 1.00 1.00 H new ATOM 279 N CYS A 21 3.519 21.476 -1.364 1.00 1.00 N ATOM 280 CA CYS A 21 3.292 20.185 -1.999 1.00 1.00 C ATOM 281 C CYS A 21 2.378 19.318 -1.133 1.00 1.00 C ATOM 282 O CYS A 21 1.328 18.865 -1.586 1.00 1.00 O ATOM 283 CB CYS A 21 4.633 19.489 -2.240 1.00 1.00 C ATOM 284 SG CYS A 21 4.465 17.738 -2.639 1.00 1.00 S ATOM 0 H CYS A 21 4.504 21.733 -1.305 1.00 1.00 H new ATOM 0 HA CYS A 21 2.799 20.339 -2.959 1.00 1.00 H new ATOM 0 HB2 CYS A 21 5.155 19.992 -3.054 1.00 1.00 H new ATOM 0 HB3 CYS A 21 5.254 19.594 -1.351 1.00 1.00 H new ATOM 289 N LYS A 22 2.769 19.141 0.132 1.00 1.00 N ATOM 290 CA LYS A 22 2.026 18.408 1.141 1.00 1.00 C ATOM 291 C LYS A 22 0.582 18.894 1.214 1.00 1.00 C ATOM 292 O LYS A 22 -0.347 18.114 1.000 1.00 1.00 O ATOM 293 CB LYS A 22 2.738 18.575 2.492 1.00 1.00 C ATOM 294 CG LYS A 22 1.989 17.879 3.638 1.00 1.00 C ATOM 295 CD LYS A 22 2.801 17.872 4.944 1.00 1.00 C ATOM 296 CE LYS A 22 3.325 19.254 5.370 1.00 1.00 C ATOM 297 NZ LYS A 22 2.274 20.293 5.389 1.00 1.00 N ATOM 0 H LYS A 22 3.646 19.522 0.487 1.00 1.00 H new ATOM 0 HA LYS A 22 1.994 17.351 0.878 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.747 18.168 2.421 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.838 19.637 2.718 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.037 18.383 3.807 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.760 16.853 3.349 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.178 17.470 5.743 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.647 17.195 4.828 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.769 19.177 6.362 1.00 1.00 H new ATOM 0 HE3 LYS A 22 4.118 19.561 4.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.711 21.226 5.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.763 20.286 4.483 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.608 20.099 6.164 1.00 1.00 H new ATOM 311 N ASN A 23 0.410 20.170 1.576 1.00 1.00 N ATOM 312 CA ASN A 23 -0.898 20.775 1.766 1.00 1.00 C ATOM 313 C ASN A 23 -1.725 20.549 0.514 1.00 1.00 C ATOM 314 O ASN A 23 -2.682 19.789 0.549 1.00 1.00 O ATOM 315 CB ASN A 23 -0.760 22.276 2.076 1.00 1.00 C ATOM 316 CG ASN A 23 -2.084 23.038 1.969 1.00 1.00 C ATOM 317 OD1 ASN A 23 -3.158 22.516 2.251 1.00 1.00 O ATOM 318 ND2 ASN A 23 -2.024 24.297 1.546 1.00 1.00 N ATOM 0 H ASN A 23 1.185 20.811 1.745 1.00 1.00 H new ATOM 0 HA ASN A 23 -1.399 20.313 2.616 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -0.359 22.397 3.082 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -0.038 22.717 1.389 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -2.879 24.845 1.452 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -1.123 24.715 1.316 1.00 1.00 H new ATOM 325 N GLN A 24 -1.324 21.169 -0.594 1.00 1.00 N ATOM 326 CA GLN A 24 -2.017 21.081 -1.866 1.00 1.00 C ATOM 327 C GLN A 24 -2.391 19.635 -2.175 1.00 1.00 C ATOM 328 O GLN A 24 -3.553 19.375 -2.482 1.00 1.00 O ATOM 329 CB GLN A 24 -1.130 21.755 -2.925 1.00 1.00 C ATOM 330 CG GLN A 24 -1.746 21.858 -4.326 1.00 1.00 C ATOM 331 CD GLN A 24 -1.877 20.517 -5.040 1.00 1.00 C ATOM 332 OE1 GLN A 24 -2.893 20.243 -5.665 1.00 1.00 O ATOM 333 NE2 GLN A 24 -0.865 19.657 -4.950 1.00 1.00 N ATOM 0 H GLN A 24 -0.491 21.757 -0.627 1.00 1.00 H new ATOM 0 HA GLN A 24 -2.970 21.610 -1.848 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -0.881 22.759 -2.581 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.194 21.201 -2.997 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.732 22.315 -4.246 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -1.134 22.525 -4.934 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -0.028 19.908 -4.424 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -0.926 18.747 -5.408 1.00 1.00 H new ATOM 342 N CYS A 25 -1.447 18.695 -2.046 1.00 1.00 N ATOM 343 CA CYS A 25 -1.753 17.303 -2.309 1.00 1.00 C ATOM 344 C CYS A 25 -2.940 16.831 -1.477 1.00 1.00 C ATOM 345 O CYS A 25 -3.974 16.483 -2.041 1.00 1.00 O ATOM 346 CB CYS A 25 -0.572 16.370 -2.060 1.00 1.00 C ATOM 347 SG CYS A 25 -1.072 14.671 -2.376 1.00 1.00 S ATOM 0 H CYS A 25 -0.484 18.878 -1.765 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.999 17.256 -3.370 1.00 1.00 H new ATOM 0 HB2 CYS A 25 0.262 16.641 -2.707 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -0.224 16.473 -1.032 1.00 1.00 H new ATOM 352 N ILE A 26 -2.799 16.801 -0.148 1.00 1.00 N ATOM 353 CA ILE A 26 -3.809 16.160 0.695 1.00 1.00 C ATOM 354 C ILE A 26 -5.068 17.031 0.822 1.00 1.00 C ATOM 355 O ILE A 26 -6.140 16.560 1.222 1.00 1.00 O ATOM 356 CB ILE A 26 -3.202 15.784 2.061 1.00 1.00 C ATOM 357 CG1 ILE A 26 -3.007 17.003 2.979 1.00 1.00 C ATOM 358 CG2 ILE A 26 -1.880 15.032 1.845 1.00 1.00 C ATOM 359 CD1 ILE A 26 -2.307 16.647 4.294 1.00 1.00 C ATOM 0 H ILE A 26 -2.011 17.205 0.358 1.00 1.00 H new ATOM 0 HA ILE A 26 -4.131 15.235 0.217 1.00 1.00 H new ATOM 0 HB ILE A 26 -3.909 15.132 2.574 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.422 17.758 2.454 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -3.978 17.447 3.198 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -1.451 14.766 2.811 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -2.067 14.126 1.269 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -1.183 15.670 1.301 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.196 17.545 4.902 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.903 15.913 4.836 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.323 16.229 4.081 1.00 1.00 H new ATOM 371 N ASN A 27 -4.948 18.310 0.461 1.00 1.00 N ATOM 372 CA ASN A 27 -6.026 19.278 0.513 1.00 1.00 C ATOM 373 C ASN A 27 -6.929 19.043 -0.688 1.00 1.00 C ATOM 374 O ASN A 27 -8.115 18.764 -0.513 1.00 1.00 O ATOM 375 CB ASN A 27 -5.410 20.677 0.559 1.00 1.00 C ATOM 376 CG ASN A 27 -6.401 21.801 0.818 1.00 1.00 C ATOM 377 OD1 ASN A 27 -7.548 21.754 0.392 1.00 1.00 O ATOM 378 ND2 ASN A 27 -5.944 22.829 1.528 1.00 1.00 N ATOM 0 H ASN A 27 -4.072 18.703 0.117 1.00 1.00 H new ATOM 0 HA ASN A 27 -6.645 19.174 1.404 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -4.647 20.698 1.337 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -4.905 20.868 -0.388 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -6.557 23.618 1.736 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -4.981 22.829 1.864 1.00 1.00 H new ATOM 385 N LEU A 28 -6.359 19.041 -1.897 1.00 1.00 N ATOM 386 CA LEU A 28 -7.105 18.710 -3.100 1.00 1.00 C ATOM 387 C LEU A 28 -7.386 17.203 -3.128 1.00 1.00 C ATOM 388 O LEU A 28 -8.505 16.783 -2.820 1.00 1.00 O ATOM 389 CB LEU A 28 -6.375 19.227 -4.352 1.00 1.00 C ATOM 390 CG LEU A 28 -6.724 20.696 -4.662 1.00 1.00 C ATOM 391 CD1 LEU A 28 -6.063 21.665 -3.674 1.00 1.00 C ATOM 392 CD2 LEU A 28 -6.300 21.048 -6.092 1.00 1.00 C ATOM 0 H LEU A 28 -5.378 19.267 -2.062 1.00 1.00 H new ATOM 0 HA LEU A 28 -8.072 19.214 -3.095 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -5.299 19.133 -4.208 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -6.638 18.604 -5.207 1.00 1.00 H new ATOM 0 HG LEU A 28 -7.804 20.802 -4.561 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -6.336 22.689 -3.930 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -6.402 21.441 -2.663 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -4.980 21.555 -3.726 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -6.551 22.088 -6.300 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.224 20.906 -6.198 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -6.822 20.400 -6.796 1.00 1.00 H new ATOM 404 N GLU A 29 -6.382 16.356 -3.373 1.00 1.00 N ATOM 405 CA GLU A 29 -6.608 14.916 -3.442 1.00 1.00 C ATOM 406 C GLU A 29 -6.499 14.365 -2.016 1.00 1.00 C ATOM 407 O GLU A 29 -6.383 15.146 -1.078 1.00 1.00 O ATOM 408 CB GLU A 29 -5.693 14.238 -4.482 1.00 1.00 C ATOM 409 CG GLU A 29 -4.178 14.330 -4.240 1.00 1.00 C ATOM 410 CD GLU A 29 -3.496 15.517 -4.925 1.00 1.00 C ATOM 411 OE1 GLU A 29 -2.379 15.359 -5.408 1.00 1.00 O ATOM 412 OE2 GLU A 29 -4.176 16.690 -5.005 1.00 1.00 O ATOM 0 H GLU A 29 -5.415 16.642 -3.525 1.00 1.00 H new ATOM 0 HA GLU A 29 -7.607 14.687 -3.812 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.964 13.184 -4.537 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -5.908 14.673 -5.458 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.998 14.393 -3.167 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -3.711 13.409 -4.588 1.00 1.00 H new ATOM 420 N LYS A 30 -6.656 13.056 -1.807 1.00 1.00 N ATOM 421 CA LYS A 30 -6.825 12.489 -0.465 1.00 1.00 C ATOM 422 C LYS A 30 -5.676 11.595 0.004 1.00 1.00 C ATOM 423 O LYS A 30 -5.803 10.883 1.004 1.00 1.00 O ATOM 424 CB LYS A 30 -8.239 11.908 -0.320 1.00 1.00 C ATOM 425 CG LYS A 30 -9.295 13.031 -0.421 1.00 1.00 C ATOM 426 CD LYS A 30 -9.347 13.928 0.836 1.00 1.00 C ATOM 427 CE LYS A 30 -9.690 15.405 0.560 1.00 1.00 C ATOM 428 NZ LYS A 30 -8.609 16.156 -0.120 1.00 1.00 N ATOM 0 H LYS A 30 -6.670 12.363 -2.556 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.748 13.300 0.259 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.415 11.164 -1.097 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -8.333 11.397 0.638 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -9.078 13.649 -1.292 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -10.276 12.585 -0.583 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -10.086 13.520 1.526 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -8.381 13.881 1.339 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -10.591 15.450 -0.052 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -9.922 15.897 1.505 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -8.596 17.136 0.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -7.693 15.706 0.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.777 16.154 -1.146 1.00 1.00 H new ATOM 442 N ALA A 31 -4.546 11.640 -0.707 1.00 1.00 N ATOM 443 CA ALA A 31 -3.290 11.047 -0.258 1.00 1.00 C ATOM 444 C ALA A 31 -3.019 11.421 1.212 1.00 1.00 C ATOM 445 O ALA A 31 -3.614 12.366 1.737 1.00 1.00 O ATOM 446 CB ALA A 31 -2.181 11.601 -1.142 1.00 1.00 C ATOM 0 H ALA A 31 -4.480 12.094 -1.618 1.00 1.00 H new ATOM 0 HA ALA A 31 -3.337 9.960 -0.329 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.225 11.178 -0.834 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -2.377 11.336 -2.181 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.146 12.686 -1.045 1.00 1.00 H new ATOM 452 N ARG A 32 -2.174 10.659 1.909 1.00 1.00 N ATOM 453 CA ARG A 32 -2.022 10.783 3.356 1.00 1.00 C ATOM 454 C ARG A 32 -0.867 11.694 3.751 1.00 1.00 C ATOM 455 O ARG A 32 -1.076 12.630 4.517 1.00 1.00 O ATOM 456 CB ARG A 32 -1.906 9.397 4.000 1.00 1.00 C ATOM 457 CG ARG A 32 -3.069 8.444 3.667 1.00 1.00 C ATOM 458 CD ARG A 32 -4.435 8.851 4.248 1.00 1.00 C ATOM 459 NE ARG A 32 -5.023 10.023 3.569 1.00 1.00 N ATOM 460 CZ ARG A 32 -5.589 11.079 4.176 1.00 1.00 C ATOM 461 NH1 ARG A 32 -6.025 10.984 5.437 1.00 1.00 N ATOM 462 NH2 ARG A 32 -5.691 12.235 3.516 1.00 1.00 N ATOM 0 H ARG A 32 -1.581 9.944 1.488 1.00 1.00 H new ATOM 0 HA ARG A 32 -2.921 11.265 3.740 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -0.971 8.937 3.679 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -1.847 9.516 5.082 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -3.160 8.372 2.583 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -2.818 7.448 4.033 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -5.123 8.009 4.169 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -4.321 9.072 5.309 1.00 1.00 H new ATOM 0 HE ARG A 32 -4.997 10.031 2.549 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -5.929 10.105 5.945 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -6.454 11.791 5.891 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -5.341 12.310 2.561 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -6.119 13.044 3.967 1.00 1.00 H new ATOM 476 N HIS A 33 0.358 11.397 3.308 1.00 1.00 N ATOM 477 CA HIS A 33 1.480 12.318 3.478 1.00 1.00 C ATOM 478 C HIS A 33 1.784 12.940 2.126 1.00 1.00 C ATOM 479 O HIS A 33 1.411 12.376 1.098 1.00 1.00 O ATOM 480 CB HIS A 33 2.750 11.624 3.991 1.00 1.00 C ATOM 481 CG HIS A 33 2.601 10.663 5.137 1.00 1.00 C ATOM 482 ND1 HIS A 33 1.425 10.463 5.841 1.00 1.00 N ATOM 483 CD2 HIS A 33 3.514 9.804 5.695 1.00 1.00 C ATOM 484 CE1 HIS A 33 1.641 9.449 6.693 1.00 1.00 C ATOM 485 NE2 HIS A 33 2.903 9.010 6.663 1.00 1.00 N ATOM 0 H HIS A 33 0.595 10.528 2.830 1.00 1.00 H new ATOM 0 HA HIS A 33 1.193 13.062 4.221 1.00 1.00 H new ATOM 0 HB2 HIS A 33 3.199 11.085 3.157 1.00 1.00 H new ATOM 0 HB3 HIS A 33 3.458 12.397 4.290 1.00 1.00 H new ATOM 0 HD2 HIS A 33 4.558 9.751 5.423 1.00 1.00 H new ATOM 0 HE1 HIS A 33 0.878 9.033 7.334 1.00 1.00 H new ATOM 0 HE2 HIS A 33 3.322 8.265 7.220 1.00 1.00 H new ATOM 493 N GLY A 34 2.529 14.041 2.125 1.00 1.00 N ATOM 494 CA GLY A 34 3.095 14.622 0.926 1.00 1.00 C ATOM 495 C GLY A 34 4.343 15.379 1.332 1.00 1.00 C ATOM 496 O GLY A 34 4.452 15.783 2.492 1.00 1.00 O ATOM 0 H GLY A 34 2.756 14.558 2.974 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.337 13.845 0.201 1.00 1.00 H new ATOM 0 HA3 GLY A 34 2.379 15.291 0.449 1.00 1.00 H new ATOM 500 N SER A 35 5.310 15.500 0.423 1.00 1.00 N ATOM 501 CA SER A 35 6.571 16.156 0.705 1.00 1.00 C ATOM 502 C SER A 35 7.310 16.418 -0.603 1.00 1.00 C ATOM 503 O SER A 35 6.924 15.949 -1.673 1.00 1.00 O ATOM 504 CB SER A 35 7.427 15.322 1.675 1.00 1.00 C ATOM 505 OG SER A 35 8.589 16.059 2.030 1.00 1.00 O ATOM 0 H SER A 35 5.234 15.143 -0.529 1.00 1.00 H new ATOM 0 HA SER A 35 6.373 17.110 1.194 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.851 15.077 2.567 1.00 1.00 H new ATOM 0 HB3 SER A 35 7.710 14.378 1.209 1.00 1.00 H new ATOM 0 HG SER A 35 9.135 15.531 2.649 1.00 1.00 H new ATOM 511 N CYS A 36 8.377 17.200 -0.492 1.00 1.00 N ATOM 512 CA CYS A 36 9.120 17.755 -1.602 1.00 1.00 C ATOM 513 C CYS A 36 10.466 17.050 -1.671 1.00 1.00 C ATOM 514 O CYS A 36 11.387 17.389 -0.932 1.00 1.00 O ATOM 515 CB CYS A 36 9.251 19.258 -1.371 1.00 1.00 C ATOM 516 SG CYS A 36 10.233 20.148 -2.577 1.00 1.00 S ATOM 0 H CYS A 36 8.759 17.472 0.414 1.00 1.00 H new ATOM 0 HA CYS A 36 8.619 17.604 -2.558 1.00 1.00 H new ATOM 0 HB2 CYS A 36 8.251 19.692 -1.352 1.00 1.00 H new ATOM 0 HB3 CYS A 36 9.687 19.419 -0.385 1.00 1.00 H new ATOM 521 N ASN A 37 10.548 16.010 -2.501 1.00 1.00 N ATOM 522 CA ASN A 37 11.718 15.141 -2.562 1.00 1.00 C ATOM 523 C ASN A 37 12.715 15.737 -3.541 1.00 1.00 C ATOM 524 O ASN A 37 12.290 16.374 -4.503 1.00 1.00 O ATOM 525 CB ASN A 37 11.276 13.758 -3.042 1.00 1.00 C ATOM 526 CG ASN A 37 12.411 12.742 -3.053 1.00 1.00 C ATOM 527 OD1 ASN A 37 12.616 12.026 -2.081 1.00 1.00 O ATOM 528 ND2 ASN A 37 13.159 12.650 -4.147 1.00 1.00 N ATOM 0 H ASN A 37 9.805 15.748 -3.149 1.00 1.00 H new ATOM 0 HA ASN A 37 12.184 15.051 -1.581 1.00 1.00 H new ATOM 0 HB2 ASN A 37 10.476 13.394 -2.397 1.00 1.00 H new ATOM 0 HB3 ASN A 37 10.862 13.843 -4.047 1.00 1.00 H new ATOM 0 HD21 ASN A 37 13.921 11.973 -4.188 1.00 1.00 H new ATOM 0 HD22 ASN A 37 12.971 13.256 -4.946 1.00 1.00 H new ATOM 535 N TYR A 38 14.018 15.500 -3.352 1.00 1.00 N ATOM 536 CA TYR A 38 14.981 15.867 -4.381 1.00 1.00 C ATOM 537 C TYR A 38 15.033 14.777 -5.458 1.00 1.00 C ATOM 538 O TYR A 38 14.009 14.506 -6.092 1.00 1.00 O ATOM 539 CB TYR A 38 16.352 16.264 -3.797 1.00 1.00 C ATOM 540 CG TYR A 38 17.333 16.756 -4.859 1.00 1.00 C ATOM 541 CD1 TYR A 38 16.919 17.732 -5.787 1.00 1.00 C ATOM 542 CD2 TYR A 38 18.531 16.052 -5.097 1.00 1.00 C ATOM 543 CE1 TYR A 38 17.603 17.893 -7.001 1.00 1.00 C ATOM 544 CE2 TYR A 38 19.199 16.192 -6.327 1.00 1.00 C ATOM 545 CZ TYR A 38 18.704 17.077 -7.300 1.00 1.00 C ATOM 546 OH TYR A 38 19.283 17.131 -8.532 1.00 1.00 O ATOM 0 H TYR A 38 14.416 15.068 -2.518 1.00 1.00 H new ATOM 0 HA TYR A 38 14.643 16.778 -4.875 1.00 1.00 H new ATOM 0 HB2 TYR A 38 16.210 17.046 -3.051 1.00 1.00 H new ATOM 0 HB3 TYR A 38 16.783 15.406 -3.281 1.00 1.00 H new ATOM 0 HD1 TYR A 38 16.070 18.360 -5.562 1.00 1.00 H new ATOM 0 HD2 TYR A 38 18.936 15.404 -4.334 1.00 1.00 H new ATOM 0 HE1 TYR A 38 17.282 18.646 -7.706 1.00 1.00 H new ATOM 0 HE2 TYR A 38 20.093 15.619 -6.524 1.00 1.00 H new ATOM 0 HH TYR A 38 18.696 17.616 -9.148 1.00 1.00 H new ATOM 556 N VAL A 39 16.181 14.105 -5.621 1.00 1.00 N ATOM 557 CA VAL A 39 16.500 13.225 -6.742 1.00 1.00 C ATOM 558 C VAL A 39 16.485 14.055 -8.038 1.00 1.00 C ATOM 559 O VAL A 39 15.799 15.074 -8.136 1.00 1.00 O ATOM 560 CB VAL A 39 15.608 11.963 -6.764 1.00 1.00 C ATOM 561 CG1 VAL A 39 15.850 11.092 -8.005 1.00 1.00 C ATOM 562 CG2 VAL A 39 15.906 11.110 -5.523 1.00 1.00 C ATOM 0 H VAL A 39 16.941 14.166 -4.944 1.00 1.00 H new ATOM 0 HA VAL A 39 17.505 12.819 -6.631 1.00 1.00 H new ATOM 0 HB VAL A 39 14.573 12.304 -6.780 1.00 1.00 H new ATOM 0 HG11 VAL A 39 15.198 10.219 -7.970 1.00 1.00 H new ATOM 0 HG12 VAL A 39 15.634 11.670 -8.903 1.00 1.00 H new ATOM 0 HG13 VAL A 39 16.890 10.767 -8.024 1.00 1.00 H new ATOM 0 HG21 VAL A 39 15.279 10.219 -5.535 1.00 1.00 H new ATOM 0 HG22 VAL A 39 16.955 10.815 -5.528 1.00 1.00 H new ATOM 0 HG23 VAL A 39 15.696 11.690 -4.624 1.00 1.00 H new ATOM 572 N PHE A 40 17.265 13.658 -9.044 1.00 1.00 N ATOM 573 CA PHE A 40 17.350 14.412 -10.290 1.00 1.00 C ATOM 574 C PHE A 40 15.953 14.584 -10.924 1.00 1.00 C ATOM 575 O PHE A 40 15.032 13.824 -10.609 1.00 1.00 O ATOM 576 CB PHE A 40 18.331 13.712 -11.246 1.00 1.00 C ATOM 577 CG PHE A 40 17.760 12.489 -11.937 1.00 1.00 C ATOM 578 CD1 PHE A 40 17.797 11.230 -11.307 1.00 1.00 C ATOM 579 CD2 PHE A 40 17.123 12.626 -13.187 1.00 1.00 C ATOM 580 CE1 PHE A 40 17.169 10.126 -11.906 1.00 1.00 C ATOM 581 CE2 PHE A 40 16.497 11.521 -13.785 1.00 1.00 C ATOM 582 CZ PHE A 40 16.513 10.272 -13.142 1.00 1.00 C ATOM 0 H PHE A 40 17.845 12.820 -9.018 1.00 1.00 H new ATOM 0 HA PHE A 40 17.729 15.413 -10.083 1.00 1.00 H new ATOM 0 HB2 PHE A 40 18.654 14.426 -12.004 1.00 1.00 H new ATOM 0 HB3 PHE A 40 19.219 13.418 -10.686 1.00 1.00 H new ATOM 0 HD1 PHE A 40 18.308 11.114 -10.363 1.00 1.00 H new ATOM 0 HD2 PHE A 40 17.117 13.584 -13.686 1.00 1.00 H new ATOM 0 HE1 PHE A 40 17.190 9.163 -11.417 1.00 1.00 H new ATOM 0 HE2 PHE A 40 16.003 11.631 -14.739 1.00 1.00 H new ATOM 0 HZ PHE A 40 16.022 9.424 -13.596 1.00 1.00 H new ATOM 592 N PRO A 41 15.734 15.593 -11.778 1.00 1.00 N ATOM 593 CA PRO A 41 16.623 16.712 -12.035 1.00 1.00 C ATOM 594 C PRO A 41 16.486 17.740 -10.905 1.00 1.00 C ATOM 595 O PRO A 41 17.490 18.174 -10.341 1.00 1.00 O ATOM 596 CB PRO A 41 16.171 17.259 -13.392 1.00 1.00 C ATOM 597 CG PRO A 41 14.677 16.938 -13.457 1.00 1.00 C ATOM 598 CD PRO A 41 14.547 15.662 -12.618 1.00 1.00 C ATOM 0 HA PRO A 41 17.678 16.440 -12.064 1.00 1.00 H new ATOM 0 HB2 PRO A 41 16.350 18.332 -13.467 1.00 1.00 H new ATOM 0 HB3 PRO A 41 16.714 16.787 -14.211 1.00 1.00 H new ATOM 0 HG2 PRO A 41 14.074 17.749 -13.049 1.00 1.00 H new ATOM 0 HG3 PRO A 41 14.345 16.779 -14.483 1.00 1.00 H new ATOM 0 HD2 PRO A 41 13.643 15.689 -12.010 1.00 1.00 H new ATOM 0 HD3 PRO A 41 14.474 14.783 -13.258 1.00 1.00 H new ATOM 606 N ALA A 42 15.244 18.107 -10.569 1.00 1.00 N ATOM 607 CA ALA A 42 14.894 19.145 -9.610 1.00 1.00 C ATOM 608 C ALA A 42 14.016 18.570 -8.495 1.00 1.00 C ATOM 609 O ALA A 42 13.566 17.423 -8.571 1.00 1.00 O ATOM 610 CB ALA A 42 14.164 20.270 -10.351 1.00 1.00 C ATOM 0 H ALA A 42 14.423 17.664 -10.981 1.00 1.00 H new ATOM 0 HA ALA A 42 15.798 19.541 -9.147 1.00 1.00 H new ATOM 0 HB1 ALA A 42 13.895 21.056 -9.645 1.00 1.00 H new ATOM 0 HB2 ALA A 42 14.816 20.682 -11.121 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.261 19.874 -10.815 1.00 1.00 H new ATOM 616 N HIS A 43 13.739 19.392 -7.479 1.00 1.00 N ATOM 617 CA HIS A 43 12.881 19.027 -6.362 1.00 1.00 C ATOM 618 C HIS A 43 11.464 18.784 -6.876 1.00 1.00 C ATOM 619 O HIS A 43 10.906 19.653 -7.535 1.00 1.00 O ATOM 620 CB HIS A 43 12.897 20.146 -5.315 1.00 1.00 C ATOM 621 CG HIS A 43 14.199 20.256 -4.568 1.00 1.00 C ATOM 622 ND1 HIS A 43 15.196 21.159 -4.904 1.00 1.00 N ATOM 623 CD2 HIS A 43 14.681 19.571 -3.478 1.00 1.00 C ATOM 624 CE1 HIS A 43 16.215 20.962 -4.051 1.00 1.00 C ATOM 625 NE2 HIS A 43 15.966 19.999 -3.162 1.00 1.00 N ATOM 0 H HIS A 43 14.111 20.339 -7.414 1.00 1.00 H new ATOM 0 HA HIS A 43 13.246 18.113 -5.894 1.00 1.00 H new ATOM 0 HB2 HIS A 43 12.690 21.096 -5.808 1.00 1.00 H new ATOM 0 HB3 HIS A 43 12.092 19.975 -4.601 1.00 1.00 H new ATOM 0 HD2 HIS A 43 14.138 18.807 -2.942 1.00 1.00 H new ATOM 0 HE1 HIS A 43 17.137 21.523 -4.082 1.00 1.00 H new ATOM 0 HE2 HIS A 43 16.577 19.656 -2.421 1.00 1.00 H new ATOM 633 N LYS A 44 10.889 17.617 -6.577 1.00 1.00 N ATOM 634 CA LYS A 44 9.639 17.106 -7.137 1.00 1.00 C ATOM 635 C LYS A 44 8.614 16.790 -6.037 1.00 1.00 C ATOM 636 O LYS A 44 8.973 16.257 -4.984 1.00 1.00 O ATOM 637 CB LYS A 44 9.949 15.883 -8.013 1.00 1.00 C ATOM 638 CG LYS A 44 10.633 14.749 -7.230 1.00 1.00 C ATOM 639 CD LYS A 44 11.058 13.577 -8.126 1.00 1.00 C ATOM 640 CE LYS A 44 12.079 13.940 -9.217 1.00 1.00 C ATOM 641 NZ LYS A 44 13.213 14.732 -8.703 1.00 1.00 N ATOM 0 H LYS A 44 11.304 16.972 -5.905 1.00 1.00 H new ATOM 0 HA LYS A 44 9.180 17.874 -7.760 1.00 1.00 H new ATOM 0 HB2 LYS A 44 9.023 15.510 -8.450 1.00 1.00 H new ATOM 0 HB3 LYS A 44 10.591 16.187 -8.840 1.00 1.00 H new ATOM 0 HG2 LYS A 44 11.510 15.145 -6.718 1.00 1.00 H new ATOM 0 HG3 LYS A 44 9.953 14.384 -6.461 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.481 12.792 -7.499 1.00 1.00 H new ATOM 0 HD3 LYS A 44 10.170 13.161 -8.602 1.00 1.00 H new ATOM 0 HE2 LYS A 44 12.458 13.025 -9.671 1.00 1.00 H new ATOM 0 HE3 LYS A 44 11.577 14.502 -10.004 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 14.080 14.468 -9.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 13.022 15.744 -8.846 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 13.337 14.543 -7.688 1.00 1.00 H new ATOM 655 N CYS A 45 7.345 17.143 -6.277 1.00 1.00 N ATOM 656 CA CYS A 45 6.271 16.990 -5.297 1.00 1.00 C ATOM 657 C CYS A 45 5.831 15.528 -5.205 1.00 1.00 C ATOM 658 O CYS A 45 5.082 15.050 -6.058 1.00 1.00 O ATOM 659 CB CYS A 45 5.075 17.884 -5.663 1.00 1.00 C ATOM 660 SG CYS A 45 3.657 17.731 -4.552 1.00 1.00 S ATOM 0 H CYS A 45 7.036 17.545 -7.162 1.00 1.00 H new ATOM 0 HA CYS A 45 6.651 17.300 -4.323 1.00 1.00 H new ATOM 0 HB2 CYS A 45 5.404 18.923 -5.671 1.00 1.00 H new ATOM 0 HB3 CYS A 45 4.754 17.643 -6.676 1.00 1.00 H new ATOM 665 N ILE A 46 6.289 14.811 -4.175 1.00 1.00 N ATOM 666 CA ILE A 46 5.883 13.436 -3.918 1.00 1.00 C ATOM 667 C ILE A 46 4.675 13.456 -2.996 1.00 1.00 C ATOM 668 O ILE A 46 4.591 14.282 -2.084 1.00 1.00 O ATOM 669 CB ILE A 46 7.039 12.630 -3.294 1.00 1.00 C ATOM 670 CG1 ILE A 46 8.247 12.535 -4.242 1.00 1.00 C ATOM 671 CG2 ILE A 46 6.581 11.229 -2.846 1.00 1.00 C ATOM 672 CD1 ILE A 46 7.967 11.854 -5.586 1.00 1.00 C ATOM 0 H ILE A 46 6.956 15.175 -3.495 1.00 1.00 H new ATOM 0 HA ILE A 46 5.620 12.948 -4.857 1.00 1.00 H new ATOM 0 HB ILE A 46 7.358 13.175 -2.406 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.619 13.542 -4.433 1.00 1.00 H new ATOM 0 HG13 ILE A 46 9.044 11.991 -3.736 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.424 10.692 -2.411 1.00 1.00 H new ATOM 0 HG22 ILE A 46 5.790 11.325 -2.102 1.00 1.00 H new ATOM 0 HG23 ILE A 46 6.204 10.677 -3.707 1.00 1.00 H new ATOM 0 HD11 ILE A 46 8.879 11.836 -6.182 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.627 10.833 -5.413 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.195 12.408 -6.121 1.00 1.00 H new ATOM 684 N CYS A 47 3.753 12.518 -3.212 1.00 1.00 N ATOM 685 CA CYS A 47 2.663 12.277 -2.294 1.00 1.00 C ATOM 686 C CYS A 47 2.508 10.783 -2.054 1.00 1.00 C ATOM 687 O CYS A 47 2.870 9.976 -2.913 1.00 1.00 O ATOM 688 CB CYS A 47 1.407 12.992 -2.765 1.00 1.00 C ATOM 689 SG CYS A 47 0.364 13.537 -1.415 1.00 1.00 S ATOM 0 H CYS A 47 3.749 11.909 -4.030 1.00 1.00 H new ATOM 0 HA CYS A 47 2.879 12.706 -1.316 1.00 1.00 H new ATOM 0 HB2 CYS A 47 1.691 13.854 -3.368 1.00 1.00 H new ATOM 0 HB3 CYS A 47 0.836 12.325 -3.411 1.00 1.00 H new ATOM 694 N TYR A 48 2.053 10.427 -0.852 1.00 1.00 N ATOM 695 CA TYR A 48 2.045 9.073 -0.332 1.00 1.00 C ATOM 696 C TYR A 48 0.595 8.624 -0.178 1.00 1.00 C ATOM 697 O TYR A 48 -0.160 9.222 0.592 1.00 1.00 O ATOM 698 CB TYR A 48 2.775 9.040 1.018 1.00 1.00 C ATOM 699 CG TYR A 48 4.235 9.472 1.003 1.00 1.00 C ATOM 700 CD1 TYR A 48 4.577 10.825 0.811 1.00 1.00 C ATOM 701 CD2 TYR A 48 5.250 8.543 1.303 1.00 1.00 C ATOM 702 CE1 TYR A 48 5.918 11.236 0.851 1.00 1.00 C ATOM 703 CE2 TYR A 48 6.593 8.958 1.364 1.00 1.00 C ATOM 704 CZ TYR A 48 6.928 10.302 1.121 1.00 1.00 C ATOM 705 OH TYR A 48 8.227 10.710 1.151 1.00 1.00 O ATOM 0 H TYR A 48 1.667 11.105 -0.195 1.00 1.00 H new ATOM 0 HA TYR A 48 2.560 8.396 -1.014 1.00 1.00 H new ATOM 0 HB2 TYR A 48 2.235 9.681 1.715 1.00 1.00 H new ATOM 0 HB3 TYR A 48 2.722 8.025 1.412 1.00 1.00 H new ATOM 0 HD1 TYR A 48 3.800 11.553 0.631 1.00 1.00 H new ATOM 0 HD2 TYR A 48 4.997 7.509 1.487 1.00 1.00 H new ATOM 0 HE1 TYR A 48 6.172 12.271 0.674 1.00 1.00 H new ATOM 0 HE2 TYR A 48 7.368 8.243 1.598 1.00 1.00 H new ATOM 0 HH TYR A 48 8.806 9.945 1.352 1.00 1.00 H new ATOM 715 N PHE A 49 0.210 7.580 -0.911 1.00 1.00 N ATOM 716 CA PHE A 49 -1.149 7.079 -1.002 1.00 1.00 C ATOM 717 C PHE A 49 -1.134 5.637 -0.489 1.00 1.00 C ATOM 718 O PHE A 49 -0.103 4.979 -0.615 1.00 1.00 O ATOM 719 CB PHE A 49 -1.597 7.077 -2.472 1.00 1.00 C ATOM 720 CG PHE A 49 -1.431 8.357 -3.282 1.00 1.00 C ATOM 721 CD1 PHE A 49 -0.145 8.838 -3.600 1.00 1.00 C ATOM 722 CD2 PHE A 49 -2.547 8.908 -3.946 1.00 1.00 C ATOM 723 CE1 PHE A 49 0.014 9.888 -4.514 1.00 1.00 C ATOM 724 CE2 PHE A 49 -2.368 9.858 -4.968 1.00 1.00 C ATOM 725 CZ PHE A 49 -1.076 10.307 -5.290 1.00 1.00 C ATOM 0 H PHE A 49 0.867 7.043 -1.478 1.00 1.00 H new ATOM 0 HA PHE A 49 -1.830 7.701 -0.421 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -1.049 6.286 -2.985 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -2.652 6.803 -2.497 1.00 1.00 H new ATOM 0 HD1 PHE A 49 0.724 8.394 -3.136 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -3.544 8.599 -3.668 1.00 1.00 H new ATOM 0 HE1 PHE A 49 0.973 10.373 -4.620 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -3.223 10.242 -5.505 1.00 1.00 H new ATOM 0 HZ PHE A 49 -0.924 10.970 -6.129 1.00 1.00 H new ATOM 735 N PRO A 50 -2.245 5.117 0.052 1.00 1.00 N ATOM 736 CA PRO A 50 -2.379 3.711 0.395 1.00 1.00 C ATOM 737 C PRO A 50 -2.130 2.880 -0.865 1.00 1.00 C ATOM 738 O PRO A 50 -2.723 3.130 -1.915 1.00 1.00 O ATOM 739 CB PRO A 50 -3.799 3.549 0.944 1.00 1.00 C ATOM 740 CG PRO A 50 -4.564 4.709 0.306 1.00 1.00 C ATOM 741 CD PRO A 50 -3.507 5.807 0.207 1.00 1.00 C ATOM 0 HA PRO A 50 -1.662 3.372 1.142 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -4.228 2.586 0.669 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -3.817 3.607 2.032 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -4.960 4.441 -0.674 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -5.411 5.019 0.918 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -3.702 6.464 -0.641 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -3.505 6.432 1.100 1.00 1.00 H new ATOM 749 N CYS A 51 -1.226 1.907 -0.781 1.00 1.00 N ATOM 750 CA CYS A 51 -0.715 1.188 -1.938 1.00 1.00 C ATOM 751 C CYS A 51 -1.707 0.148 -2.458 1.00 1.00 C ATOM 752 O CYS A 51 -1.429 -1.047 -2.393 1.00 1.00 O ATOM 753 CB CYS A 51 0.640 0.575 -1.580 1.00 1.00 C ATOM 754 SG CYS A 51 1.630 0.172 -3.032 1.00 1.00 S ATOM 755 OXT CYS A 51 -2.871 0.637 -2.970 1.00 0.00 O ATOM 0 H CYS A 51 -0.825 1.595 0.103 1.00 1.00 H new ATOM 0 HA CYS A 51 -0.578 1.889 -2.761 1.00 1.00 H new ATOM 0 HB2 CYS A 51 1.194 1.271 -0.950 1.00 1.00 H new ATOM 0 HB3 CYS A 51 0.481 -0.329 -0.992 1.00 1.00 H new TER 760 CYS A 51