USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 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 Single : A 1 PCA N :NH3+ -102:sc= 0.0608 (180deg=-0.077) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.3) USER MOD Single : A 18 SER OG : rot 21:sc= 0.198 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00361 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.9!) USER MOD Single : A 38 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -9.362 2.370 -1.131 1.00 0.00 N HETATM 2 CA PCA A 1 -9.710 3.768 -1.088 1.00 0.00 C HETATM 3 CB PCA A 1 -11.213 3.763 -1.384 1.00 0.00 C HETATM 4 CG PCA A 1 -11.497 2.401 -1.928 1.00 0.00 C HETATM 5 CD PCA A 1 -10.320 1.566 -1.587 1.00 0.00 C HETATM 6 OE PCA A 1 -10.210 0.361 -1.697 1.00 0.00 O HETATM 7 C PCA A 1 -9.433 4.392 0.276 1.00 0.00 C HETATM 8 O PCA A 1 -9.278 5.608 0.394 1.00 0.00 O HETATM 0 H2 PCA A 1 -8.452 2.254 -1.621 1.00 0.00 H new HETATM 0 HA PCA A 1 -9.125 4.360 -1.792 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -11.793 3.956 -0.482 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -11.476 4.538 -2.104 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -12.406 1.989 -1.491 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -11.650 2.437 -3.007 1.00 0.00 H new ATOM 15 N THR A 2 -9.373 3.552 1.304 1.00 0.00 N ATOM 16 CA THR A 2 -9.115 4.020 2.661 1.00 0.00 C ATOM 17 C THR A 2 -7.752 3.542 3.151 1.00 0.00 C ATOM 18 O THR A 2 -7.563 3.290 4.341 1.00 0.00 O ATOM 19 CB THR A 2 -10.211 3.531 3.609 1.00 0.00 C ATOM 20 OG1 THR A 2 -10.087 2.139 3.842 1.00 0.00 O ATOM 21 CG2 THR A 2 -11.609 3.787 3.090 1.00 0.00 C ATOM 0 H THR A 2 -9.500 2.543 1.223 1.00 0.00 H new ATOM 0 HA THR A 2 -9.115 5.110 2.649 1.00 0.00 H new ATOM 0 HB THR A 2 -10.073 4.100 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.796 1.845 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.338 3.416 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.753 4.858 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.744 3.272 2.139 1.00 0.00 H new ATOM 29 N CYS A 3 -6.806 3.419 2.226 1.00 0.00 N ATOM 30 CA CYS A 3 -5.460 2.971 2.563 1.00 0.00 C ATOM 31 C CYS A 3 -4.765 3.974 3.478 1.00 0.00 C ATOM 32 O CYS A 3 -4.193 3.602 4.503 1.00 0.00 O ATOM 33 CB CYS A 3 -4.635 2.766 1.291 1.00 0.00 C ATOM 34 SG CYS A 3 -2.945 2.153 1.591 1.00 0.00 S ATOM 0 H CYS A 3 -6.947 3.623 1.237 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.542 2.021 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.156 2.061 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.577 3.712 0.752 1.00 0.00 H new ATOM 39 N ALA A 4 -4.819 5.247 3.101 1.00 0.00 N ATOM 40 CA ALA A 4 -4.195 6.304 3.887 1.00 0.00 C ATOM 41 C ALA A 4 -4.819 6.398 5.275 1.00 0.00 C ATOM 42 O ALA A 4 -4.128 6.644 6.263 1.00 0.00 O ATOM 43 CB ALA A 4 -4.308 7.637 3.161 1.00 0.00 C ATOM 0 H ALA A 4 -5.289 5.571 2.256 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.140 6.058 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.838 8.418 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.808 7.569 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.360 7.880 3.008 1.00 0.00 H new ATOM 49 N SER A 5 -6.130 6.198 5.340 1.00 0.00 N ATOM 50 CA SER A 5 -6.852 6.259 6.605 1.00 0.00 C ATOM 51 C SER A 5 -6.476 5.088 7.508 1.00 0.00 C ATOM 52 O SER A 5 -6.525 5.196 8.733 1.00 0.00 O ATOM 53 CB SER A 5 -8.361 6.260 6.356 1.00 0.00 C ATOM 54 OG SER A 5 -8.792 7.503 5.828 1.00 0.00 O ATOM 0 H SER A 5 -6.715 5.992 4.530 1.00 0.00 H new ATOM 0 HA SER A 5 -6.572 7.185 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.619 5.459 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.886 6.056 7.289 1.00 0.00 H new ATOM 0 HG SER A 5 -9.760 7.476 5.677 1.00 0.00 H new ATOM 60 N ARG A 6 -6.101 3.969 6.895 1.00 0.00 N ATOM 61 CA ARG A 6 -5.719 2.779 7.646 1.00 0.00 C ATOM 62 C ARG A 6 -4.206 2.574 7.615 1.00 0.00 C ATOM 63 O ARG A 6 -3.720 1.448 7.712 1.00 0.00 O ATOM 64 CB ARG A 6 -6.428 1.546 7.080 1.00 0.00 C ATOM 65 CG ARG A 6 -7.288 0.817 8.100 1.00 0.00 C ATOM 66 CD ARG A 6 -6.438 0.071 9.115 1.00 0.00 C ATOM 67 NE ARG A 6 -6.356 -1.357 8.817 1.00 0.00 N ATOM 68 CZ ARG A 6 -6.000 -2.281 9.707 1.00 0.00 C ATOM 69 NH1 ARG A 6 -5.690 -1.931 10.950 1.00 0.00 N ATOM 70 NH2 ARG A 6 -5.952 -3.558 9.354 1.00 0.00 N ATOM 0 H ARG A 6 -6.054 3.862 5.882 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.023 2.921 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.054 1.850 6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.681 0.856 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.928 1.533 8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.945 0.114 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.435 0.496 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.858 0.210 10.111 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.585 -1.664 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.724 -0.950 11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.418 -2.643 11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.188 -3.833 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.679 -4.266 10.036 1.00 0.00 H new ATOM 84 N CYS A 7 -3.467 3.671 7.479 1.00 0.00 N ATOM 85 CA CYS A 7 -2.010 3.611 7.437 1.00 0.00 C ATOM 86 C CYS A 7 -1.420 3.733 8.841 1.00 0.00 C ATOM 87 O CYS A 7 -2.101 4.168 9.770 1.00 0.00 O ATOM 88 CB CYS A 7 -1.462 4.723 6.539 1.00 0.00 C ATOM 89 SG CYS A 7 -1.340 4.265 4.779 1.00 0.00 S ATOM 0 H CYS A 7 -3.853 4.611 7.396 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.720 2.644 7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.103 5.600 6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.474 5.011 6.898 1.00 0.00 H new ATOM 94 N PRO A 8 -0.143 3.345 9.022 1.00 0.00 N ATOM 95 CA PRO A 8 0.705 2.822 7.951 1.00 0.00 C ATOM 96 C PRO A 8 0.597 1.306 7.794 1.00 0.00 C ATOM 97 O PRO A 8 1.456 0.678 7.175 1.00 0.00 O ATOM 98 CB PRO A 8 2.099 3.208 8.431 1.00 0.00 C ATOM 99 CG PRO A 8 2.021 3.123 9.920 1.00 0.00 C ATOM 100 CD PRO A 8 0.583 3.395 10.303 1.00 0.00 C ATOM 0 HA PRO A 8 0.431 3.217 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.856 2.532 8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.367 4.213 8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.333 2.138 10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.688 3.850 10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.208 2.648 11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.475 4.367 10.785 1.00 0.00 H new ATOM 108 N ARG A 9 -0.458 0.723 8.355 1.00 0.00 N ATOM 109 CA ARG A 9 -0.664 -0.719 8.271 1.00 0.00 C ATOM 110 C ARG A 9 -2.076 -1.041 7.784 1.00 0.00 C ATOM 111 O ARG A 9 -2.870 -1.646 8.505 1.00 0.00 O ATOM 112 CB ARG A 9 -0.416 -1.371 9.633 1.00 0.00 C ATOM 113 CG ARG A 9 1.003 -1.889 9.809 1.00 0.00 C ATOM 114 CD ARG A 9 1.493 -1.698 11.235 1.00 0.00 C ATOM 115 NE ARG A 9 2.904 -1.319 11.283 1.00 0.00 N ATOM 116 CZ ARG A 9 3.667 -1.439 12.367 1.00 0.00 C ATOM 117 NH1 ARG A 9 3.161 -1.925 13.494 1.00 0.00 N ATOM 118 NH2 ARG A 9 4.941 -1.072 12.324 1.00 0.00 N ATOM 0 H ARG A 9 -1.181 1.225 8.871 1.00 0.00 H new ATOM 0 HA ARG A 9 0.048 -1.122 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.629 -0.646 10.418 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.115 -2.197 9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.040 -2.947 9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.669 -1.368 9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.894 -0.930 11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.346 -2.621 11.795 1.00 0.00 H new ATOM 0 HE ARG A 9 3.329 -0.940 10.436 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.182 -2.209 13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.751 -2.014 14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.335 -0.698 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.526 -1.164 13.154 1.00 0.00 H new ATOM 132 N PRO A 10 -2.408 -0.639 6.545 1.00 0.00 N ATOM 133 CA PRO A 10 -3.726 -0.884 5.962 1.00 0.00 C ATOM 134 C PRO A 10 -3.844 -2.281 5.361 1.00 0.00 C ATOM 135 O PRO A 10 -4.855 -2.960 5.537 1.00 0.00 O ATOM 136 CB PRO A 10 -3.810 0.178 4.870 1.00 0.00 C ATOM 137 CG PRO A 10 -2.401 0.358 4.415 1.00 0.00 C ATOM 138 CD PRO A 10 -1.524 0.091 5.614 1.00 0.00 C ATOM 0 HA PRO A 10 -4.525 -0.830 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.453 -0.145 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.225 1.110 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.166 -0.329 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.242 1.367 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.650 -0.502 5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.157 1.018 6.055 1.00 0.00 H new ATOM 146 N CYS A 11 -2.803 -2.702 4.650 1.00 0.00 N ATOM 147 CA CYS A 11 -2.789 -4.017 4.021 1.00 0.00 C ATOM 148 C CYS A 11 -2.102 -5.042 4.918 1.00 0.00 C ATOM 149 O CYS A 11 -1.394 -4.682 5.859 1.00 0.00 O ATOM 150 CB CYS A 11 -2.078 -3.952 2.667 1.00 0.00 C ATOM 151 SG CYS A 11 -2.501 -2.485 1.671 1.00 0.00 S ATOM 0 H CYS A 11 -1.958 -2.151 4.495 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.822 -4.328 3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.001 -3.966 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.324 -4.848 2.097 1.00 0.00 H new ATOM 156 N ASN A 12 -2.317 -6.319 4.621 1.00 0.00 N ATOM 157 CA ASN A 12 -1.718 -7.396 5.402 1.00 0.00 C ATOM 158 C ASN A 12 -0.229 -7.524 5.097 1.00 0.00 C ATOM 159 O ASN A 12 0.340 -6.701 4.379 1.00 0.00 O ATOM 160 CB ASN A 12 -2.427 -8.721 5.111 1.00 0.00 C ATOM 161 CG ASN A 12 -2.571 -9.583 6.349 1.00 0.00 C ATOM 162 OD1 ASN A 12 -3.209 -9.186 7.325 1.00 0.00 O ATOM 163 ND2 ASN A 12 -1.978 -10.771 6.316 1.00 0.00 N ATOM 0 H ASN A 12 -2.901 -6.634 3.846 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.835 -7.155 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.414 -8.518 4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.869 -9.270 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.041 -11.395 7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.460 -11.059 5.486 1.00 0.00 H new ATOM 170 N ALA A 13 0.396 -8.560 5.646 1.00 0.00 N ATOM 171 CA ALA A 13 1.819 -8.793 5.432 1.00 0.00 C ATOM 172 C ALA A 13 2.069 -9.457 4.083 1.00 0.00 C ATOM 173 O ALA A 13 1.394 -10.420 3.719 1.00 0.00 O ATOM 174 CB ALA A 13 2.389 -9.646 6.556 1.00 0.00 C ATOM 0 H ALA A 13 -0.060 -9.251 6.242 1.00 0.00 H new ATOM 0 HA ALA A 13 2.324 -7.827 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.452 -9.812 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.252 -9.133 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.872 -10.605 6.583 1.00 0.00 H new ATOM 180 N GLY A 14 3.042 -8.935 3.344 1.00 0.00 N ATOM 181 CA GLY A 14 3.363 -9.489 2.042 1.00 0.00 C ATOM 182 C GLY A 14 2.843 -8.635 0.903 1.00 0.00 C ATOM 183 O GLY A 14 3.385 -8.664 -0.202 1.00 0.00 O ATOM 0 H GLY A 14 3.614 -8.138 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.444 -9.591 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.941 -10.491 1.963 1.00 0.00 H new ATOM 187 N LEU A 15 1.787 -7.872 1.171 1.00 0.00 N ATOM 188 CA LEU A 15 1.193 -7.006 0.159 1.00 0.00 C ATOM 189 C LEU A 15 1.464 -5.538 0.472 1.00 0.00 C ATOM 190 O LEU A 15 1.364 -5.109 1.621 1.00 0.00 O ATOM 191 CB LEU A 15 -0.315 -7.250 0.070 1.00 0.00 C ATOM 192 CG LEU A 15 -0.722 -8.704 -0.172 1.00 0.00 C ATOM 193 CD1 LEU A 15 -0.840 -9.452 1.147 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.033 -8.767 -0.941 1.00 0.00 C ATOM 0 H LEU A 15 1.326 -7.836 2.080 1.00 0.00 H new ATOM 0 HA LEU A 15 1.650 -7.245 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.778 -6.908 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.720 -6.636 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 15 0.052 -9.184 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.130 -10.485 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.120 -9.435 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.595 -8.973 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.309 -9.809 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.816 -8.270 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.915 -8.267 -1.902 1.00 0.00 H new ATOM 206 N CYS A 16 1.807 -4.773 -0.559 1.00 0.00 N ATOM 207 CA CYS A 16 2.092 -3.352 -0.395 1.00 0.00 C ATOM 208 C CYS A 16 0.969 -2.502 -0.981 1.00 0.00 C ATOM 209 O CYS A 16 0.290 -2.915 -1.921 1.00 0.00 O ATOM 210 CB CYS A 16 3.421 -2.996 -1.062 1.00 0.00 C ATOM 211 SG CYS A 16 4.867 -3.824 -0.325 1.00 0.00 S ATOM 0 H CYS A 16 1.894 -5.113 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 16 2.163 -3.141 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.366 -3.256 -2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.566 -1.917 -1.006 1.00 0.00 H new ATOM 216 N CYS A 17 0.779 -1.313 -0.418 1.00 0.00 N ATOM 217 CA CYS A 17 -0.263 -0.406 -0.884 1.00 0.00 C ATOM 218 C CYS A 17 0.294 0.599 -1.887 1.00 0.00 C ATOM 219 O CYS A 17 1.190 1.379 -1.567 1.00 0.00 O ATOM 220 CB CYS A 17 -0.889 0.334 0.300 1.00 0.00 C ATOM 221 SG CYS A 17 -2.553 0.998 -0.032 1.00 0.00 S ATOM 0 H CYS A 17 1.333 -0.956 0.361 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.029 -1.000 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.944 -0.345 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.233 1.155 0.589 1.00 0.00 H new ATOM 226 N SER A 18 -0.247 0.576 -3.101 1.00 0.00 N ATOM 227 CA SER A 18 0.191 1.486 -4.152 1.00 0.00 C ATOM 228 C SER A 18 -0.405 2.874 -3.946 1.00 0.00 C ATOM 229 O SER A 18 -1.530 3.010 -3.458 1.00 0.00 O ATOM 230 CB SER A 18 -0.206 0.946 -5.526 1.00 0.00 C ATOM 231 OG SER A 18 0.773 1.260 -6.501 1.00 0.00 O ATOM 0 H SER A 18 -0.990 -0.064 -3.381 1.00 0.00 H new ATOM 0 HA SER A 18 1.277 1.563 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.336 -0.135 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.167 1.368 -5.822 1.00 0.00 H new ATOM 0 HG SER A 18 1.625 1.456 -6.058 1.00 0.00 H new ATOM 237 N ILE A 19 0.364 3.897 -4.317 1.00 0.00 N ATOM 238 CA ILE A 19 -0.063 5.287 -4.175 1.00 0.00 C ATOM 239 C ILE A 19 -1.503 5.493 -4.634 1.00 0.00 C ATOM 240 O ILE A 19 -2.207 6.364 -4.122 1.00 0.00 O ATOM 241 CB ILE A 19 0.855 6.240 -4.966 1.00 0.00 C ATOM 242 CG1 ILE A 19 0.890 5.847 -6.445 1.00 0.00 C ATOM 243 CG2 ILE A 19 2.258 6.233 -4.376 1.00 0.00 C ATOM 244 CD1 ILE A 19 0.794 7.028 -7.386 1.00 0.00 C ATOM 0 H ILE A 19 1.294 3.786 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 19 0.003 5.518 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 19 0.454 7.251 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.814 5.306 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.068 5.161 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.895 6.910 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.217 6.560 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.668 5.224 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.825 6.675 -8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.143 7.557 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.631 7.704 -7.208 1.00 0.00 H new ATOM 256 N TYR A 20 -1.938 4.690 -5.599 1.00 0.00 N ATOM 257 CA TYR A 20 -3.297 4.792 -6.118 1.00 0.00 C ATOM 258 C TYR A 20 -4.323 4.557 -5.012 1.00 0.00 C ATOM 259 O TYR A 20 -5.489 4.928 -5.146 1.00 0.00 O ATOM 260 CB TYR A 20 -3.509 3.786 -7.251 1.00 0.00 C ATOM 261 CG TYR A 20 -3.243 4.358 -8.625 1.00 0.00 C ATOM 262 CD1 TYR A 20 -2.104 5.112 -8.875 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.133 4.146 -9.670 1.00 0.00 C ATOM 264 CE1 TYR A 20 -1.857 5.638 -10.129 1.00 0.00 C ATOM 265 CE2 TYR A 20 -3.893 4.668 -10.927 1.00 0.00 C ATOM 266 CZ TYR A 20 -2.755 5.413 -11.151 1.00 0.00 C ATOM 267 OH TYR A 20 -2.513 5.935 -12.401 1.00 0.00 O ATOM 0 H TYR A 20 -1.371 3.963 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.436 5.801 -6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.856 2.928 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.534 3.418 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.399 5.290 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.026 3.564 -9.498 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.966 6.222 -10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.594 4.493 -11.730 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.241 5.684 -13.007 1.00 0.00 H new ATOM 277 N GLY A 21 -3.883 3.936 -3.922 1.00 0.00 N ATOM 278 CA GLY A 21 -4.775 3.660 -2.814 1.00 0.00 C ATOM 279 C GLY A 21 -5.318 2.248 -2.860 1.00 0.00 C ATOM 280 O GLY A 21 -6.502 2.023 -2.611 1.00 0.00 O ATOM 0 H GLY A 21 -2.923 3.619 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.244 3.814 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.604 4.368 -2.831 1.00 0.00 H new ATOM 284 N TYR A 22 -4.451 1.293 -3.185 1.00 0.00 N ATOM 285 CA TYR A 22 -4.862 -0.105 -3.268 1.00 0.00 C ATOM 286 C TYR A 22 -3.708 -1.045 -2.936 1.00 0.00 C ATOM 287 O TYR A 22 -2.556 -0.774 -3.270 1.00 0.00 O ATOM 288 CB TYR A 22 -5.400 -0.417 -4.666 1.00 0.00 C ATOM 289 CG TYR A 22 -6.863 -0.078 -4.843 1.00 0.00 C ATOM 290 CD1 TYR A 22 -7.851 -1.015 -4.567 1.00 0.00 C ATOM 291 CD2 TYR A 22 -7.255 1.179 -5.286 1.00 0.00 C ATOM 292 CE1 TYR A 22 -9.189 -0.709 -4.728 1.00 0.00 C ATOM 293 CE2 TYR A 22 -8.591 1.493 -5.448 1.00 0.00 C ATOM 294 CZ TYR A 22 -9.554 0.546 -5.169 1.00 0.00 C ATOM 295 OH TYR A 22 -10.885 0.855 -5.330 1.00 0.00 O ATOM 0 H TYR A 22 -3.467 1.460 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.651 -0.263 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.816 0.136 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.254 -1.477 -4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.569 -1.998 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.504 1.923 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.945 -1.449 -4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.880 2.475 -5.791 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.970 1.779 -5.646 1.00 0.00 H new ATOM 305 N CYS A 23 -4.029 -2.156 -2.279 1.00 0.00 N ATOM 306 CA CYS A 23 -3.023 -3.143 -1.904 1.00 0.00 C ATOM 307 C CYS A 23 -2.663 -4.031 -3.090 1.00 0.00 C ATOM 308 O CYS A 23 -3.436 -4.157 -4.040 1.00 0.00 O ATOM 309 CB CYS A 23 -3.529 -4.003 -0.745 1.00 0.00 C ATOM 310 SG CYS A 23 -4.173 -3.047 0.666 1.00 0.00 S ATOM 0 H CYS A 23 -4.979 -2.395 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.127 -2.609 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.315 -4.662 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.716 -4.640 -0.397 1.00 0.00 H new ATOM 315 N GLY A 24 -1.487 -4.646 -3.029 1.00 0.00 N ATOM 316 CA GLY A 24 -1.047 -5.516 -4.104 1.00 0.00 C ATOM 317 C GLY A 24 0.307 -6.140 -3.830 1.00 0.00 C ATOM 318 O GLY A 24 0.592 -6.550 -2.705 1.00 0.00 O ATOM 0 H GLY A 24 -0.830 -4.558 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.784 -6.306 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.999 -4.946 -5.032 1.00 0.00 H new ATOM 322 N SER A 25 1.142 -6.213 -4.861 1.00 0.00 N ATOM 323 CA SER A 25 2.473 -6.794 -4.726 1.00 0.00 C ATOM 324 C SER A 25 3.388 -6.332 -5.857 1.00 0.00 C ATOM 325 O SER A 25 3.034 -5.443 -6.632 1.00 0.00 O ATOM 326 CB SER A 25 2.387 -8.323 -4.713 1.00 0.00 C ATOM 327 OG SER A 25 1.118 -8.767 -5.162 1.00 0.00 O ATOM 0 H SER A 25 0.921 -5.877 -5.799 1.00 0.00 H new ATOM 0 HA SER A 25 2.896 -6.453 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.168 -8.740 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.568 -8.692 -3.703 1.00 0.00 H new ATOM 0 HG SER A 25 1.090 -9.746 -5.146 1.00 0.00 H new ATOM 333 N GLY A 26 4.565 -6.941 -5.943 1.00 0.00 N ATOM 334 CA GLY A 26 5.513 -6.582 -6.981 1.00 0.00 C ATOM 335 C GLY A 26 5.935 -5.128 -6.905 1.00 0.00 C ATOM 336 O GLY A 26 5.683 -4.453 -5.907 1.00 0.00 O ATOM 0 H GLY A 26 4.880 -7.678 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.395 -7.218 -6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.069 -6.777 -7.957 1.00 0.00 H new ATOM 340 N ALA A 27 6.578 -4.645 -7.963 1.00 0.00 N ATOM 341 CA ALA A 27 7.036 -3.262 -8.014 1.00 0.00 C ATOM 342 C ALA A 27 5.886 -2.312 -8.331 1.00 0.00 C ATOM 343 O ALA A 27 5.911 -1.142 -7.948 1.00 0.00 O ATOM 344 CB ALA A 27 8.145 -3.113 -9.045 1.00 0.00 C ATOM 0 H ALA A 27 6.794 -5.191 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 27 7.428 -2.999 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.478 -2.076 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.982 -3.756 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.770 -3.401 -10.027 1.00 0.00 H new ATOM 350 N ALA A 28 4.878 -2.820 -9.034 1.00 0.00 N ATOM 351 CA ALA A 28 3.720 -2.013 -9.402 1.00 0.00 C ATOM 352 C ALA A 28 3.028 -1.449 -8.166 1.00 0.00 C ATOM 353 O ALA A 28 2.528 -0.325 -8.181 1.00 0.00 O ATOM 354 CB ALA A 28 2.743 -2.838 -10.226 1.00 0.00 C ATOM 0 H ALA A 28 4.840 -3.786 -9.360 1.00 0.00 H new ATOM 0 HA ALA A 28 4.069 -1.174 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.883 -2.224 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.236 -3.187 -11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.408 -3.695 -9.642 1.00 0.00 H new ATOM 360 N TYR A 29 3.005 -2.238 -7.098 1.00 0.00 N ATOM 361 CA TYR A 29 2.375 -1.817 -5.851 1.00 0.00 C ATOM 362 C TYR A 29 3.421 -1.552 -4.772 1.00 0.00 C ATOM 363 O TYR A 29 3.200 -0.751 -3.864 1.00 0.00 O ATOM 364 CB TYR A 29 1.386 -2.881 -5.371 1.00 0.00 C ATOM 365 CG TYR A 29 0.016 -2.759 -6.000 1.00 0.00 C ATOM 366 CD1 TYR A 29 -0.160 -2.935 -7.367 1.00 0.00 C ATOM 367 CD2 TYR A 29 -1.101 -2.468 -5.227 1.00 0.00 C ATOM 368 CE1 TYR A 29 -1.409 -2.824 -7.946 1.00 0.00 C ATOM 369 CE2 TYR A 29 -2.354 -2.356 -5.799 1.00 0.00 C ATOM 370 CZ TYR A 29 -2.503 -2.534 -7.158 1.00 0.00 C ATOM 371 OH TYR A 29 -3.749 -2.422 -7.731 1.00 0.00 O ATOM 0 H TYR A 29 3.415 -3.172 -7.070 1.00 0.00 H new ATOM 0 HA TYR A 29 1.836 -0.889 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.792 -3.868 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.287 -2.811 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.694 -3.162 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.988 -2.327 -4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.528 -2.964 -9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.213 -2.130 -5.184 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.410 -2.216 -7.038 1.00 0.00 H new ATOM 381 N CYS A 30 4.560 -2.230 -4.877 1.00 0.00 N ATOM 382 CA CYS A 30 5.639 -2.066 -3.910 1.00 0.00 C ATOM 383 C CYS A 30 6.928 -1.624 -4.598 1.00 0.00 C ATOM 384 O CYS A 30 7.996 -2.190 -4.363 1.00 0.00 O ATOM 385 CB CYS A 30 5.874 -3.374 -3.151 1.00 0.00 C ATOM 386 SG CYS A 30 6.429 -3.147 -1.431 1.00 0.00 S ATOM 0 H CYS A 30 4.759 -2.898 -5.622 1.00 0.00 H new ATOM 0 HA CYS A 30 5.344 -1.291 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.950 -3.952 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.618 -3.964 -3.687 1.00 0.00 H new ATOM 391 N GLY A 31 6.820 -0.609 -5.450 1.00 0.00 N ATOM 392 CA GLY A 31 7.984 -0.108 -6.159 1.00 0.00 C ATOM 393 C GLY A 31 8.227 1.367 -5.906 1.00 0.00 C ATOM 394 O GLY A 31 7.318 2.092 -5.504 1.00 0.00 O ATOM 0 H GLY A 31 5.948 -0.125 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.863 -0.675 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.853 -0.273 -7.228 1.00 0.00 H new ATOM 398 N ALA A 32 9.458 1.810 -6.142 1.00 0.00 N ATOM 399 CA ALA A 32 9.818 3.208 -5.938 1.00 0.00 C ATOM 400 C ALA A 32 8.961 4.127 -6.801 1.00 0.00 C ATOM 401 O ALA A 32 9.015 4.069 -8.030 1.00 0.00 O ATOM 402 CB ALA A 32 11.294 3.422 -6.239 1.00 0.00 C ATOM 0 H ALA A 32 10.222 1.221 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 32 9.632 3.457 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.549 4.470 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.895 2.800 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.497 3.150 -7.275 1.00 0.00 H new ATOM 408 N GLY A 33 8.169 4.974 -6.151 1.00 0.00 N ATOM 409 CA GLY A 33 7.311 5.891 -6.878 1.00 0.00 C ATOM 410 C GLY A 33 5.854 5.472 -6.853 1.00 0.00 C ATOM 411 O GLY A 33 4.967 6.273 -7.149 1.00 0.00 O ATOM 0 H GLY A 33 8.106 5.042 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.406 6.888 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.649 5.956 -7.912 1.00 0.00 H new ATOM 415 N ASN A 34 5.603 4.214 -6.502 1.00 0.00 N ATOM 416 CA ASN A 34 4.242 3.695 -6.442 1.00 0.00 C ATOM 417 C ASN A 34 4.004 2.946 -5.135 1.00 0.00 C ATOM 418 O ASN A 34 3.419 1.862 -5.125 1.00 0.00 O ATOM 419 CB ASN A 34 3.975 2.772 -7.633 1.00 0.00 C ATOM 420 CG ASN A 34 4.174 3.471 -8.963 1.00 0.00 C ATOM 421 OD1 ASN A 34 4.289 4.695 -9.023 1.00 0.00 O ATOM 422 ND2 ASN A 34 4.214 2.695 -10.040 1.00 0.00 N ATOM 0 H ASN A 34 6.324 3.536 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 34 3.553 4.539 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.639 1.909 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.955 2.393 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.344 3.110 -10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.114 1.684 -9.944 1.00 0.00 H new ATOM 429 N CYS A 35 4.464 3.530 -4.034 1.00 0.00 N ATOM 430 CA CYS A 35 4.304 2.918 -2.720 1.00 0.00 C ATOM 431 C CYS A 35 3.661 3.891 -1.735 1.00 0.00 C ATOM 432 O CYS A 35 4.305 4.827 -1.262 1.00 0.00 O ATOM 433 CB CYS A 35 5.662 2.456 -2.185 1.00 0.00 C ATOM 434 SG CYS A 35 5.593 1.685 -0.535 1.00 0.00 S ATOM 0 H CYS A 35 4.951 4.426 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 35 3.647 2.055 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.094 1.744 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.335 3.313 -2.145 1.00 0.00 H new ATOM 439 N ARG A 36 2.388 3.659 -1.427 1.00 0.00 N ATOM 440 CA ARG A 36 1.660 4.513 -0.494 1.00 0.00 C ATOM 441 C ARG A 36 2.003 4.155 0.948 1.00 0.00 C ATOM 442 O ARG A 36 2.465 5.000 1.715 1.00 0.00 O ATOM 443 CB ARG A 36 0.152 4.376 -0.715 1.00 0.00 C ATOM 444 CG ARG A 36 -0.647 5.580 -0.240 1.00 0.00 C ATOM 445 CD ARG A 36 -0.152 6.872 -0.873 1.00 0.00 C ATOM 446 NE ARG A 36 -1.234 7.615 -1.515 1.00 0.00 N ATOM 447 CZ ARG A 36 -1.137 8.888 -1.893 1.00 0.00 C ATOM 448 NH1 ARG A 36 -0.010 9.562 -1.700 1.00 0.00 N ATOM 449 NH2 ARG A 36 -2.171 9.489 -2.467 1.00 0.00 N ATOM 0 H ARG A 36 1.840 2.888 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 36 1.957 5.545 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.038 4.221 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.203 3.487 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.700 5.436 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.578 5.657 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.313 7.495 -0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.618 6.643 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.115 7.130 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.789 9.105 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.058 10.537 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.039 8.976 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.098 10.464 -2.757 1.00 0.00 H new ATOM 463 N CYS A 37 1.774 2.897 1.310 1.00 0.00 N ATOM 464 CA CYS A 37 2.059 2.426 2.661 1.00 0.00 C ATOM 465 C CYS A 37 2.572 0.989 2.639 1.00 0.00 C ATOM 466 O CYS A 37 2.520 0.317 1.609 1.00 0.00 O ATOM 467 CB CYS A 37 0.804 2.520 3.532 1.00 0.00 C ATOM 468 SG CYS A 37 0.656 4.082 4.458 1.00 0.00 S ATOM 0 H CYS A 37 1.392 2.185 0.687 1.00 0.00 H new ATOM 0 HA CYS A 37 2.835 3.063 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.075 2.401 2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.802 1.690 4.238 1.00 0.00 H new ATOM 473 N GLN A 38 3.068 0.526 3.782 1.00 0.00 N ATOM 474 CA GLN A 38 3.592 -0.831 3.894 1.00 0.00 C ATOM 475 C GLN A 38 4.781 -1.028 2.960 1.00 0.00 C ATOM 476 O GLN A 38 4.869 -2.029 2.248 1.00 0.00 O ATOM 477 CB GLN A 38 2.497 -1.853 3.577 1.00 0.00 C ATOM 478 CG GLN A 38 1.707 -2.295 4.799 1.00 0.00 C ATOM 479 CD GLN A 38 2.228 -3.588 5.394 1.00 0.00 C ATOM 480 OE1 GLN A 38 2.639 -3.630 6.554 1.00 0.00 O ATOM 481 NE2 GLN A 38 2.215 -4.653 4.600 1.00 0.00 N ATOM 0 H GLN A 38 3.118 1.070 4.643 1.00 0.00 H new ATOM 0 HA GLN A 38 3.929 -0.984 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.811 -1.424 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.951 -2.728 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.745 -1.510 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.660 -2.422 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.865 -4.573 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.554 -5.551 4.945 1.00 0.00 H new ATOM 490 N CYS A 39 5.693 -0.064 2.970 1.00 0.00 N ATOM 491 CA CYS A 39 6.881 -0.125 2.126 1.00 0.00 C ATOM 492 C CYS A 39 7.967 -0.984 2.771 1.00 0.00 C ATOM 493 O CYS A 39 8.829 -1.530 2.083 1.00 0.00 O ATOM 494 CB CYS A 39 7.414 1.285 1.861 1.00 0.00 C ATOM 495 SG CYS A 39 7.524 1.718 0.094 1.00 0.00 S ATOM 0 H CYS A 39 5.633 0.770 3.554 1.00 0.00 H new ATOM 0 HA CYS A 39 6.601 -0.584 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.768 2.006 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.403 1.378 2.309 1.00 0.00 H new ATOM 500 N ARG A 40 7.918 -1.099 4.096 1.00 0.00 N ATOM 501 CA ARG A 40 8.897 -1.892 4.832 1.00 0.00 C ATOM 502 C ARG A 40 8.918 -3.334 4.333 1.00 0.00 C ATOM 503 O ARG A 40 9.953 -3.998 4.369 1.00 0.00 O ATOM 504 CB ARG A 40 8.583 -1.863 6.329 1.00 0.00 C ATOM 505 CG ARG A 40 9.821 -1.906 7.211 1.00 0.00 C ATOM 506 CD ARG A 40 10.665 -0.651 7.052 1.00 0.00 C ATOM 507 NE ARG A 40 11.919 -0.921 6.352 1.00 0.00 N ATOM 508 CZ ARG A 40 12.959 -1.539 6.905 1.00 0.00 C ATOM 509 NH1 ARG A 40 12.902 -1.951 8.166 1.00 0.00 N ATOM 510 NH2 ARG A 40 14.061 -1.747 6.197 1.00 0.00 N ATOM 0 H ARG A 40 7.211 -0.653 4.681 1.00 0.00 H new ATOM 0 HA ARG A 40 9.882 -1.455 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.017 -0.960 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.943 -2.710 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.522 -2.015 8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.419 -2.782 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.098 0.101 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.881 -0.232 8.035 1.00 0.00 H new ATOM 0 HE ARG A 40 12.002 -0.618 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.057 -1.794 8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.703 -2.424 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.111 -1.433 5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.858 -2.221 6.622 1.00 0.00 H new ATOM 524 N GLY A 41 7.768 -3.811 3.869 1.00 0.00 N ATOM 525 CA GLY A 41 7.677 -5.170 3.369 1.00 0.00 C ATOM 526 C GLY A 41 7.144 -6.136 4.409 1.00 0.00 C ATOM 527 O GLY A 41 7.492 -5.979 5.599 1.00 0.00 O ATOM 528 OXT GLY A 41 6.378 -7.049 4.035 1.00 0.00 O ATOM 0 H GLY A 41 6.897 -3.281 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.028 -5.189 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.663 -5.500 3.042 1.00 0.00 H new TER 532 GLY A 41