USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 Set 1.1: A 36 LYS NZ :NH3+ -136:sc= 1.28 (180deg=-1.81!) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.547 K(o=1.8,f=-21!) USER MOD Set 2.1: A 11 ASN : amide:sc= 2.02 K(o=2.7,f=-6.7!) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0.716 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -178:sc= 0.603 (180deg=0) USER MOD Set 3.2: A 6 ASN : amide:sc= -0.514! C(o=0.089!,f=-21!) USER MOD Set 4.1: A 1 ALA N :NH3+ -161:sc= 0.754 (180deg=0) USER MOD Set 4.2: A 18 TYR OH : rot -7:sc= 1.89 USER MOD Single : A 13 SER OG : rot -54:sc= 0.436 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 59:sc= 1.21 USER MOD Single : A 23 TYR OH : rot -30:sc= 0.0354 USER MOD Single : A 26 GLN : amide:sc= 1.96 K(o=2,f=-6.5!) USER MOD Single : A 30 GLN : amide:sc= 1.13 K(o=1.1,f=-0.071) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.683 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.083 -3.444 -5.164 1.00 0.81 N ATOM 2 CA ALA A 1 12.817 -4.602 -4.569 1.00 0.75 C ATOM 3 C ALA A 1 12.264 -4.909 -3.170 1.00 0.59 C ATOM 4 O ALA A 1 12.407 -4.125 -2.252 1.00 0.74 O ATOM 5 CB ALA A 1 14.280 -4.150 -4.491 1.00 1.01 C ATOM 0 H1 ALA A 1 12.220 -3.439 -6.195 1.00 0.81 H new ATOM 0 H2 ALA A 1 11.069 -3.529 -4.950 1.00 0.81 H new ATOM 0 H3 ALA A 1 12.449 -2.557 -4.762 1.00 0.81 H new ATOM 0 HA ALA A 1 12.709 -5.512 -5.159 1.00 0.75 H new ATOM 0 HB1 ALA A 1 14.885 -4.949 -4.063 1.00 1.01 H new ATOM 0 HB2 ALA A 1 14.643 -3.917 -5.492 1.00 1.01 H new ATOM 0 HB3 ALA A 1 14.354 -3.263 -3.862 1.00 1.01 H new ATOM 10 N GLY A 2 11.622 -6.039 -3.006 1.00 0.51 N ATOM 11 CA GLY A 2 11.049 -6.393 -1.670 1.00 0.54 C ATOM 12 C GLY A 2 9.601 -5.895 -1.573 1.00 0.43 C ATOM 13 O GLY A 2 9.165 -5.063 -2.350 1.00 0.44 O ATOM 0 H GLY A 2 11.470 -6.732 -3.739 1.00 0.51 H new ATOM 0 HA2 GLY A 2 11.082 -7.473 -1.525 1.00 0.54 H new ATOM 0 HA3 GLY A 2 11.650 -5.947 -0.877 1.00 0.54 H new ATOM 17 N CYS A 3 8.857 -6.400 -0.623 1.00 0.44 N ATOM 18 CA CYS A 3 7.432 -5.967 -0.457 1.00 0.35 C ATOM 19 C CYS A 3 6.989 -6.149 1.002 1.00 0.30 C ATOM 20 O CYS A 3 7.669 -6.784 1.786 1.00 0.37 O ATOM 21 CB CYS A 3 6.622 -6.883 -1.384 1.00 0.38 C ATOM 22 SG CYS A 3 6.304 -8.467 -0.560 1.00 0.43 S ATOM 0 H CYS A 3 9.175 -7.098 0.050 1.00 0.44 H new ATOM 0 HA CYS A 3 7.291 -4.915 -0.703 1.00 0.35 H new ATOM 0 HB2 CYS A 3 5.679 -6.405 -1.649 1.00 0.38 H new ATOM 0 HB3 CYS A 3 7.167 -7.049 -2.313 1.00 0.38 H new ATOM 27 N ILE A 4 5.856 -5.609 1.373 1.00 0.27 N ATOM 28 CA ILE A 4 5.383 -5.770 2.785 1.00 0.26 C ATOM 29 C ILE A 4 3.937 -6.290 2.806 1.00 0.28 C ATOM 30 O ILE A 4 2.982 -5.530 2.840 1.00 0.37 O ATOM 31 CB ILE A 4 5.484 -4.377 3.419 1.00 0.33 C ATOM 32 CG1 ILE A 4 6.951 -3.925 3.456 1.00 0.51 C ATOM 33 CG2 ILE A 4 4.948 -4.432 4.853 1.00 0.40 C ATOM 34 CD1 ILE A 4 7.062 -2.493 2.927 1.00 0.80 C ATOM 0 H ILE A 4 5.241 -5.067 0.766 1.00 0.27 H new ATOM 0 HA ILE A 4 5.981 -6.495 3.337 1.00 0.26 H new ATOM 0 HB ILE A 4 4.899 -3.673 2.827 1.00 0.33 H new ATOM 0 HG12 ILE A 4 7.332 -3.977 4.476 1.00 0.51 H new ATOM 0 HG13 ILE A 4 7.563 -4.595 2.852 1.00 0.51 H new ATOM 0 HG21 ILE A 4 5.019 -3.443 5.306 1.00 0.40 H new ATOM 0 HG22 ILE A 4 3.906 -4.752 4.840 1.00 0.40 H new ATOM 0 HG23 ILE A 4 5.537 -5.141 5.435 1.00 0.40 H new ATOM 0 HD11 ILE A 4 8.104 -2.175 2.954 1.00 0.80 H new ATOM 0 HD12 ILE A 4 6.698 -2.455 1.900 1.00 0.80 H new ATOM 0 HD13 ILE A 4 6.463 -1.828 3.549 1.00 0.80 H new ATOM 46 N LYS A 5 3.778 -7.589 2.774 1.00 0.32 N ATOM 47 CA LYS A 5 2.419 -8.199 2.784 1.00 0.40 C ATOM 48 C LYS A 5 1.710 -7.987 4.138 1.00 0.39 C ATOM 49 O LYS A 5 0.501 -8.129 4.237 1.00 0.55 O ATOM 50 CB LYS A 5 2.676 -9.689 2.525 1.00 0.52 C ATOM 51 CG LYS A 5 3.310 -10.341 3.761 1.00 0.66 C ATOM 52 CD LYS A 5 3.200 -11.864 3.648 1.00 0.84 C ATOM 53 CE LYS A 5 4.218 -12.523 4.587 1.00 0.92 C ATOM 54 NZ LYS A 5 3.579 -12.495 5.938 1.00 0.85 N ATOM 0 H LYS A 5 4.545 -8.260 2.741 1.00 0.32 H new ATOM 0 HA LYS A 5 1.762 -7.749 2.040 1.00 0.40 H new ATOM 0 HB2 LYS A 5 1.739 -10.190 2.281 1.00 0.52 H new ATOM 0 HB3 LYS A 5 3.334 -9.808 1.664 1.00 0.52 H new ATOM 0 HG2 LYS A 5 4.356 -10.046 3.844 1.00 0.66 H new ATOM 0 HG3 LYS A 5 2.809 -9.996 4.665 1.00 0.66 H new ATOM 0 HD2 LYS A 5 2.191 -12.186 3.905 1.00 0.84 H new ATOM 0 HD3 LYS A 5 3.382 -12.177 2.620 1.00 0.84 H new ATOM 0 HE2 LYS A 5 4.437 -13.544 4.276 1.00 0.92 H new ATOM 0 HE3 LYS A 5 5.163 -11.980 4.587 1.00 0.92 H new ATOM 0 HZ1 LYS A 5 4.232 -12.899 6.639 1.00 0.85 H new ATOM 0 HZ2 LYS A 5 3.357 -11.512 6.197 1.00 0.85 H new ATOM 0 HZ3 LYS A 5 2.702 -13.054 5.919 1.00 0.85 H new ATOM 68 N ASN A 6 2.444 -7.659 5.177 1.00 0.33 N ATOM 69 CA ASN A 6 1.811 -7.452 6.518 1.00 0.37 C ATOM 70 C ASN A 6 1.554 -5.955 6.785 1.00 0.36 C ATOM 71 O ASN A 6 1.922 -5.425 7.817 1.00 0.52 O ATOM 72 CB ASN A 6 2.827 -8.023 7.518 1.00 0.46 C ATOM 73 CG ASN A 6 2.646 -9.539 7.629 1.00 0.56 C ATOM 74 OD1 ASN A 6 3.085 -10.284 6.773 1.00 0.70 O ATOM 75 ND2 ASN A 6 2.019 -10.034 8.652 1.00 0.76 N ATOM 0 H ASN A 6 3.455 -7.526 5.153 1.00 0.33 H new ATOM 0 HA ASN A 6 0.839 -7.940 6.594 1.00 0.37 H new ATOM 0 HB2 ASN A 6 3.841 -7.791 7.193 1.00 0.46 H new ATOM 0 HB3 ASN A 6 2.691 -7.558 8.495 1.00 0.46 H new ATOM 0 HD21 ASN A 6 1.896 -11.043 8.736 1.00 0.76 H new ATOM 0 HD22 ASN A 6 1.649 -9.414 9.372 1.00 0.76 H new ATOM 82 N GLY A 7 0.913 -5.275 5.867 1.00 0.38 N ATOM 83 CA GLY A 7 0.616 -3.820 6.069 1.00 0.42 C ATOM 84 C GLY A 7 1.743 -2.953 5.496 1.00 0.34 C ATOM 85 O GLY A 7 2.306 -2.120 6.185 1.00 0.42 O ATOM 0 H GLY A 7 0.581 -5.664 4.984 1.00 0.38 H new ATOM 0 HA2 GLY A 7 -0.327 -3.566 5.585 1.00 0.42 H new ATOM 0 HA3 GLY A 7 0.495 -3.612 7.132 1.00 0.42 H new ATOM 89 N GLY A 8 2.069 -3.126 4.239 1.00 0.27 N ATOM 90 CA GLY A 8 3.154 -2.297 3.619 1.00 0.27 C ATOM 91 C GLY A 8 2.673 -0.853 3.470 1.00 0.26 C ATOM 92 O GLY A 8 1.634 -0.490 3.976 1.00 0.42 O ATOM 0 H GLY A 8 1.633 -3.804 3.614 1.00 0.27 H new ATOM 0 HA2 GLY A 8 4.050 -2.331 4.238 1.00 0.27 H new ATOM 0 HA3 GLY A 8 3.425 -2.703 2.644 1.00 0.27 H new ATOM 96 N ARG A 9 3.409 -0.028 2.777 1.00 0.29 N ATOM 97 CA ARG A 9 2.973 1.391 2.605 1.00 0.29 C ATOM 98 C ARG A 9 2.934 1.775 1.124 1.00 0.29 C ATOM 99 O ARG A 9 3.833 1.463 0.366 1.00 0.39 O ATOM 100 CB ARG A 9 4.019 2.220 3.358 1.00 0.39 C ATOM 101 CG ARG A 9 3.328 3.115 4.397 1.00 0.49 C ATOM 102 CD ARG A 9 2.418 2.275 5.307 1.00 0.48 C ATOM 103 NE ARG A 9 3.348 1.416 6.099 1.00 0.47 N ATOM 104 CZ ARG A 9 3.038 1.067 7.306 1.00 0.49 C ATOM 105 NH1 ARG A 9 3.166 1.916 8.274 1.00 0.63 N ATOM 106 NH2 ARG A 9 2.612 -0.131 7.548 1.00 0.60 N ATOM 0 H ARG A 9 4.290 -0.271 2.324 1.00 0.29 H new ATOM 0 HA ARG A 9 1.966 1.558 2.988 1.00 0.29 H new ATOM 0 HB2 ARG A 9 4.733 1.560 3.851 1.00 0.39 H new ATOM 0 HB3 ARG A 9 4.584 2.833 2.656 1.00 0.39 H new ATOM 0 HG2 ARG A 9 4.077 3.631 4.998 1.00 0.49 H new ATOM 0 HG3 ARG A 9 2.740 3.882 3.892 1.00 0.49 H new ATOM 0 HD2 ARG A 9 1.817 2.910 5.958 1.00 0.48 H new ATOM 0 HD3 ARG A 9 1.725 1.671 4.722 1.00 0.48 H new ATOM 0 HE ARG A 9 4.228 1.104 5.688 1.00 0.47 H new ATOM 0 HH11 ARG A 9 3.510 2.857 8.085 1.00 0.63 H new ATOM 0 HH12 ARG A 9 2.922 1.644 9.226 1.00 0.63 H new ATOM 0 HH21 ARG A 9 2.520 -0.803 6.786 1.00 0.60 H new ATOM 0 HH22 ARG A 9 2.368 -0.403 8.500 1.00 0.60 H new ATOM 120 N CYS A 10 1.895 2.454 0.710 1.00 0.24 N ATOM 121 CA CYS A 10 1.786 2.872 -0.725 1.00 0.23 C ATOM 122 C CYS A 10 1.011 4.185 -0.861 1.00 0.22 C ATOM 123 O CYS A 10 0.462 4.707 0.094 1.00 0.28 O ATOM 124 CB CYS A 10 1.032 1.746 -1.438 1.00 0.23 C ATOM 125 SG CYS A 10 -0.436 1.273 -0.481 1.00 0.28 S ATOM 0 H CYS A 10 1.115 2.739 1.303 1.00 0.24 H new ATOM 0 HA CYS A 10 2.774 3.039 -1.155 1.00 0.23 H new ATOM 0 HB2 CYS A 10 0.736 2.071 -2.435 1.00 0.23 H new ATOM 0 HB3 CYS A 10 1.686 0.883 -1.565 1.00 0.23 H new ATOM 130 N ASN A 11 0.962 4.707 -2.059 1.00 0.27 N ATOM 131 CA ASN A 11 0.225 5.984 -2.321 1.00 0.28 C ATOM 132 C ASN A 11 -0.188 6.042 -3.801 1.00 0.32 C ATOM 133 O ASN A 11 0.537 5.593 -4.670 1.00 0.47 O ATOM 134 CB ASN A 11 1.222 7.099 -1.985 1.00 0.32 C ATOM 135 CG ASN A 11 0.548 8.467 -2.132 1.00 0.34 C ATOM 136 OD1 ASN A 11 0.195 8.870 -3.221 1.00 0.49 O ATOM 137 ND2 ASN A 11 0.356 9.205 -1.077 1.00 0.43 N ATOM 0 H ASN A 11 1.407 4.298 -2.880 1.00 0.27 H new ATOM 0 HA ASN A 11 -0.686 6.075 -1.729 1.00 0.28 H new ATOM 0 HB2 ASN A 11 1.591 6.974 -0.967 1.00 0.32 H new ATOM 0 HB3 ASN A 11 2.086 7.037 -2.647 1.00 0.32 H new ATOM 0 HD21 ASN A 11 -0.090 10.118 -1.168 1.00 0.43 H new ATOM 0 HD22 ASN A 11 0.651 8.870 -0.160 1.00 0.43 H new ATOM 144 N ALA A 12 -1.343 6.581 -4.089 1.00 0.33 N ATOM 145 CA ALA A 12 -1.812 6.660 -5.513 1.00 0.41 C ATOM 146 C ALA A 12 -0.930 7.603 -6.355 1.00 0.42 C ATOM 147 O ALA A 12 -0.915 7.516 -7.567 1.00 0.58 O ATOM 148 CB ALA A 12 -3.243 7.197 -5.428 1.00 0.49 C ATOM 0 H ALA A 12 -1.987 6.972 -3.401 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.758 5.687 -6.002 1.00 0.41 H new ATOM 0 HB1 ALA A 12 -3.659 7.284 -6.432 1.00 0.49 H new ATOM 0 HB2 ALA A 12 -3.854 6.512 -4.840 1.00 0.49 H new ATOM 0 HB3 ALA A 12 -3.236 8.177 -4.951 1.00 0.49 H new ATOM 154 N SER A 13 -0.204 8.502 -5.737 1.00 0.40 N ATOM 155 CA SER A 13 0.656 9.438 -6.529 1.00 0.47 C ATOM 156 C SER A 13 2.130 9.327 -6.109 1.00 0.43 C ATOM 157 O SER A 13 2.803 10.325 -5.920 1.00 0.60 O ATOM 158 CB SER A 13 0.112 10.832 -6.208 1.00 0.56 C ATOM 159 OG SER A 13 0.760 11.793 -7.036 1.00 0.94 O ATOM 0 H SER A 13 -0.169 8.629 -4.726 1.00 0.40 H new ATOM 0 HA SER A 13 0.625 9.213 -7.595 1.00 0.47 H new ATOM 0 HB2 SER A 13 -0.965 10.861 -6.372 1.00 0.56 H new ATOM 0 HB3 SER A 13 0.281 11.068 -5.157 1.00 0.56 H new ATOM 0 HG SER A 13 1.731 11.702 -6.944 1.00 0.94 H new ATOM 165 N ALA A 14 2.643 8.128 -5.971 1.00 0.44 N ATOM 166 CA ALA A 14 4.076 7.971 -5.573 1.00 0.45 C ATOM 167 C ALA A 14 4.853 7.178 -6.638 1.00 0.49 C ATOM 168 O ALA A 14 5.665 7.730 -7.355 1.00 0.63 O ATOM 169 CB ALA A 14 4.033 7.220 -4.242 1.00 0.42 C ATOM 0 H ALA A 14 2.134 7.256 -6.116 1.00 0.44 H new ATOM 0 HA ALA A 14 4.587 8.929 -5.480 1.00 0.45 H new ATOM 0 HB1 ALA A 14 5.049 7.063 -3.880 1.00 0.42 H new ATOM 0 HB2 ALA A 14 3.473 7.805 -3.512 1.00 0.42 H new ATOM 0 HB3 ALA A 14 3.546 6.255 -4.384 1.00 0.42 H new ATOM 175 N GLY A 15 4.612 5.892 -6.752 1.00 0.43 N ATOM 176 CA GLY A 15 5.341 5.081 -7.779 1.00 0.51 C ATOM 177 C GLY A 15 6.174 3.978 -7.109 1.00 0.45 C ATOM 178 O GLY A 15 5.805 2.821 -7.155 1.00 0.46 O ATOM 0 H GLY A 15 3.946 5.372 -6.181 1.00 0.43 H new ATOM 0 HA2 GLY A 15 4.627 4.635 -8.471 1.00 0.51 H new ATOM 0 HA3 GLY A 15 5.992 5.729 -8.366 1.00 0.51 H new ATOM 182 N PRO A 16 7.288 4.368 -6.521 1.00 0.44 N ATOM 183 CA PRO A 16 8.191 3.387 -5.859 1.00 0.44 C ATOM 184 C PRO A 16 7.543 2.619 -4.676 1.00 0.39 C ATOM 185 O PRO A 16 7.825 1.446 -4.518 1.00 0.43 O ATOM 186 CB PRO A 16 9.392 4.232 -5.425 1.00 0.52 C ATOM 187 CG PRO A 16 8.874 5.628 -5.351 1.00 0.52 C ATOM 188 CD PRO A 16 7.813 5.735 -6.416 1.00 0.51 C ATOM 0 HA PRO A 16 8.462 2.578 -6.538 1.00 0.44 H new ATOM 0 HB2 PRO A 16 9.779 3.903 -4.461 1.00 0.52 H new ATOM 0 HB3 PRO A 16 10.210 4.152 -6.141 1.00 0.52 H new ATOM 0 HG2 PRO A 16 8.460 5.839 -4.365 1.00 0.52 H new ATOM 0 HG3 PRO A 16 9.673 6.350 -5.522 1.00 0.52 H new ATOM 0 HD2 PRO A 16 7.033 6.443 -6.135 1.00 0.51 H new ATOM 0 HD3 PRO A 16 8.229 6.078 -7.363 1.00 0.51 H new ATOM 196 N PRO A 17 6.701 3.256 -3.877 1.00 0.34 N ATOM 197 CA PRO A 17 6.068 2.526 -2.740 1.00 0.31 C ATOM 198 C PRO A 17 4.980 1.567 -3.260 1.00 0.28 C ATOM 199 O PRO A 17 3.801 1.738 -2.996 1.00 0.35 O ATOM 200 CB PRO A 17 5.459 3.638 -1.891 1.00 0.35 C ATOM 201 CG PRO A 17 5.223 4.761 -2.846 1.00 0.39 C ATOM 202 CD PRO A 17 6.267 4.657 -3.928 1.00 0.36 C ATOM 0 HA PRO A 17 6.771 1.911 -2.179 1.00 0.31 H new ATOM 0 HB2 PRO A 17 4.529 3.314 -1.423 1.00 0.35 H new ATOM 0 HB3 PRO A 17 6.133 3.937 -1.088 1.00 0.35 H new ATOM 0 HG2 PRO A 17 4.221 4.699 -3.271 1.00 0.39 H new ATOM 0 HG3 PRO A 17 5.294 5.721 -2.335 1.00 0.39 H new ATOM 0 HD2 PRO A 17 5.855 4.911 -4.905 1.00 0.36 H new ATOM 0 HD3 PRO A 17 7.098 5.338 -3.746 1.00 0.36 H new ATOM 210 N TYR A 18 5.372 0.562 -4.001 1.00 0.27 N ATOM 211 CA TYR A 18 4.371 -0.411 -4.547 1.00 0.26 C ATOM 212 C TYR A 18 4.032 -1.487 -3.498 1.00 0.22 C ATOM 213 O TYR A 18 4.764 -1.699 -2.548 1.00 0.23 O ATOM 214 CB TYR A 18 5.030 -1.018 -5.798 1.00 0.28 C ATOM 215 CG TYR A 18 6.290 -1.763 -5.427 1.00 0.24 C ATOM 216 CD1 TYR A 18 6.207 -3.042 -4.872 1.00 0.29 C ATOM 217 CD2 TYR A 18 7.539 -1.171 -5.638 1.00 0.29 C ATOM 218 CE1 TYR A 18 7.374 -3.733 -4.527 1.00 0.34 C ATOM 219 CE2 TYR A 18 8.708 -1.860 -5.292 1.00 0.31 C ATOM 220 CZ TYR A 18 8.624 -3.141 -4.736 1.00 0.32 C ATOM 221 OH TYR A 18 9.775 -3.821 -4.389 1.00 0.41 O ATOM 0 H TYR A 18 6.342 0.371 -4.253 1.00 0.27 H new ATOM 0 HA TYR A 18 3.425 0.068 -4.798 1.00 0.26 H new ATOM 0 HB2 TYR A 18 4.332 -1.695 -6.291 1.00 0.28 H new ATOM 0 HB3 TYR A 18 5.265 -0.228 -6.511 1.00 0.28 H new ATOM 0 HD1 TYR A 18 5.242 -3.498 -4.709 1.00 0.29 H new ATOM 0 HD2 TYR A 18 7.602 -0.182 -6.068 1.00 0.29 H new ATOM 0 HE1 TYR A 18 7.310 -4.723 -4.100 1.00 0.34 H new ATOM 0 HE2 TYR A 18 9.673 -1.403 -5.454 1.00 0.31 H new ATOM 0 HH TYR A 18 9.538 -4.644 -3.913 1.00 0.41 H new ATOM 231 N CYS A 19 2.914 -2.154 -3.657 1.00 0.22 N ATOM 232 CA CYS A 19 2.505 -3.206 -2.667 1.00 0.21 C ATOM 233 C CYS A 19 3.033 -4.592 -3.071 1.00 0.21 C ATOM 234 O CYS A 19 3.607 -4.763 -4.125 1.00 0.28 O ATOM 235 CB CYS A 19 0.978 -3.172 -2.677 1.00 0.23 C ATOM 236 SG CYS A 19 0.427 -1.521 -2.174 1.00 0.26 S ATOM 0 H CYS A 19 2.264 -2.016 -4.431 1.00 0.22 H new ATOM 0 HA CYS A 19 2.915 -3.015 -1.675 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.602 -3.408 -3.672 1.00 0.23 H new ATOM 0 HB3 CYS A 19 0.579 -3.926 -1.998 1.00 0.23 H new ATOM 241 N CYS A 20 2.863 -5.579 -2.222 1.00 0.22 N ATOM 242 CA CYS A 20 3.383 -6.956 -2.541 1.00 0.26 C ATOM 243 C CYS A 20 2.485 -7.725 -3.522 1.00 0.27 C ATOM 244 O CYS A 20 2.951 -8.211 -4.532 1.00 0.36 O ATOM 245 CB CYS A 20 3.437 -7.698 -1.204 1.00 0.36 C ATOM 246 SG CYS A 20 4.560 -9.111 -1.352 1.00 0.45 S ATOM 0 H CYS A 20 2.388 -5.495 -1.323 1.00 0.22 H new ATOM 0 HA CYS A 20 4.356 -6.879 -3.027 1.00 0.26 H new ATOM 0 HB2 CYS A 20 3.779 -7.027 -0.416 1.00 0.36 H new ATOM 0 HB3 CYS A 20 2.440 -8.038 -0.923 1.00 0.36 H new ATOM 251 N SER A 21 1.219 -7.872 -3.225 1.00 0.28 N ATOM 252 CA SER A 21 0.331 -8.654 -4.145 1.00 0.34 C ATOM 253 C SER A 21 -0.506 -7.719 -5.017 1.00 0.33 C ATOM 254 O SER A 21 -0.262 -7.580 -6.202 1.00 0.41 O ATOM 255 CB SER A 21 -0.561 -9.495 -3.225 1.00 0.41 C ATOM 256 OG SER A 21 0.246 -10.396 -2.475 1.00 0.82 O ATOM 0 H SER A 21 0.763 -7.490 -2.396 1.00 0.28 H new ATOM 0 HA SER A 21 0.904 -9.278 -4.831 1.00 0.34 H new ATOM 0 HB2 SER A 21 -1.122 -8.846 -2.552 1.00 0.41 H new ATOM 0 HB3 SER A 21 -1.291 -10.049 -3.815 1.00 0.41 H new ATOM 0 HG SER A 21 -0.324 -10.933 -1.885 1.00 0.82 H new ATOM 262 N SER A 22 -1.497 -7.082 -4.451 1.00 0.27 N ATOM 263 CA SER A 22 -2.348 -6.159 -5.259 1.00 0.30 C ATOM 264 C SER A 22 -3.277 -5.301 -4.383 1.00 0.26 C ATOM 265 O SER A 22 -4.243 -4.748 -4.871 1.00 0.34 O ATOM 266 CB SER A 22 -3.173 -7.068 -6.173 1.00 0.38 C ATOM 267 OG SER A 22 -2.470 -7.269 -7.396 1.00 0.52 O ATOM 0 H SER A 22 -1.754 -7.160 -3.467 1.00 0.27 H new ATOM 0 HA SER A 22 -1.730 -5.453 -5.813 1.00 0.30 H new ATOM 0 HB2 SER A 22 -3.356 -8.025 -5.684 1.00 0.38 H new ATOM 0 HB3 SER A 22 -4.146 -6.619 -6.369 1.00 0.38 H new ATOM 0 HG SER A 22 -1.595 -7.668 -7.208 1.00 0.52 H new ATOM 273 N TYR A 23 -3.004 -5.163 -3.106 1.00 0.21 N ATOM 274 CA TYR A 23 -3.897 -4.319 -2.258 1.00 0.20 C ATOM 275 C TYR A 23 -3.132 -3.121 -1.692 1.00 0.19 C ATOM 276 O TYR A 23 -1.970 -3.214 -1.340 1.00 0.22 O ATOM 277 CB TYR A 23 -4.367 -5.213 -1.121 1.00 0.22 C ATOM 278 CG TYR A 23 -5.615 -4.627 -0.503 1.00 0.23 C ATOM 279 CD1 TYR A 23 -5.505 -3.664 0.507 1.00 0.29 C ATOM 280 CD2 TYR A 23 -6.877 -5.043 -0.938 1.00 0.38 C ATOM 281 CE1 TYR A 23 -6.657 -3.116 1.083 1.00 0.33 C ATOM 282 CE2 TYR A 23 -8.031 -4.495 -0.361 1.00 0.43 C ATOM 283 CZ TYR A 23 -7.921 -3.531 0.649 1.00 0.35 C ATOM 284 OH TYR A 23 -9.056 -2.988 1.215 1.00 0.44 O ATOM 0 H TYR A 23 -2.214 -5.592 -2.623 1.00 0.21 H new ATOM 0 HA TYR A 23 -4.732 -3.927 -2.839 1.00 0.20 H new ATOM 0 HB2 TYR A 23 -4.570 -6.217 -1.494 1.00 0.22 H new ATOM 0 HB3 TYR A 23 -3.584 -5.304 -0.368 1.00 0.22 H new ATOM 0 HD1 TYR A 23 -4.530 -3.343 0.842 1.00 0.29 H new ATOM 0 HD2 TYR A 23 -6.963 -5.786 -1.718 1.00 0.38 H new ATOM 0 HE1 TYR A 23 -6.570 -2.373 1.862 1.00 0.33 H new ATOM 0 HE2 TYR A 23 -9.006 -4.817 -0.696 1.00 0.43 H new ATOM 0 HH TYR A 23 -8.871 -2.739 2.144 1.00 0.44 H new ATOM 294 N CYS A 24 -3.803 -2.012 -1.587 1.00 0.20 N ATOM 295 CA CYS A 24 -3.180 -0.769 -1.029 1.00 0.22 C ATOM 296 C CYS A 24 -4.268 0.111 -0.397 1.00 0.24 C ATOM 297 O CYS A 24 -5.071 0.701 -1.091 1.00 0.31 O ATOM 298 CB CYS A 24 -2.542 -0.056 -2.228 1.00 0.25 C ATOM 299 SG CYS A 24 -1.984 1.600 -1.740 1.00 0.31 S ATOM 0 H CYS A 24 -4.778 -1.906 -1.869 1.00 0.20 H new ATOM 0 HA CYS A 24 -2.443 -0.986 -0.256 1.00 0.22 H new ATOM 0 HB2 CYS A 24 -1.699 -0.638 -2.601 1.00 0.25 H new ATOM 0 HB3 CYS A 24 -3.263 0.019 -3.042 1.00 0.25 H new ATOM 304 N PHE A 25 -4.308 0.200 0.905 1.00 0.26 N ATOM 305 CA PHE A 25 -5.354 1.041 1.567 1.00 0.30 C ATOM 306 C PHE A 25 -4.793 2.432 1.878 1.00 0.26 C ATOM 307 O PHE A 25 -4.232 2.656 2.933 1.00 0.30 O ATOM 308 CB PHE A 25 -5.683 0.299 2.859 1.00 0.36 C ATOM 309 CG PHE A 25 -7.128 0.545 3.230 1.00 0.44 C ATOM 310 CD1 PHE A 25 -8.142 -0.249 2.680 1.00 0.72 C ATOM 311 CD2 PHE A 25 -7.451 1.572 4.123 1.00 0.53 C ATOM 312 CE1 PHE A 25 -9.479 -0.014 3.025 1.00 0.81 C ATOM 313 CE2 PHE A 25 -8.787 1.806 4.469 1.00 0.62 C ATOM 314 CZ PHE A 25 -9.802 1.012 3.920 1.00 0.67 C ATOM 0 H PHE A 25 -3.664 -0.271 1.540 1.00 0.26 H new ATOM 0 HA PHE A 25 -6.233 1.186 0.939 1.00 0.30 H new ATOM 0 HB2 PHE A 25 -5.506 -0.769 2.732 1.00 0.36 H new ATOM 0 HB3 PHE A 25 -5.028 0.637 3.662 1.00 0.36 H new ATOM 0 HD1 PHE A 25 -7.893 -1.042 1.990 1.00 0.72 H new ATOM 0 HD2 PHE A 25 -6.669 2.185 4.546 1.00 0.53 H new ATOM 0 HE1 PHE A 25 -10.261 -0.625 2.600 1.00 0.81 H new ATOM 0 HE2 PHE A 25 -9.035 2.599 5.159 1.00 0.62 H new ATOM 0 HZ PHE A 25 -10.833 1.192 4.187 1.00 0.67 H new ATOM 324 N GLN A 26 -4.926 3.359 0.968 1.00 0.24 N ATOM 325 CA GLN A 26 -4.386 4.734 1.208 1.00 0.22 C ATOM 326 C GLN A 26 -5.512 5.773 1.203 1.00 0.24 C ATOM 327 O GLN A 26 -6.470 5.663 0.464 1.00 0.34 O ATOM 328 CB GLN A 26 -3.410 4.968 0.051 1.00 0.25 C ATOM 329 CG GLN A 26 -2.754 6.351 0.191 1.00 0.29 C ATOM 330 CD GLN A 26 -3.183 7.263 -0.963 1.00 0.35 C ATOM 331 OE1 GLN A 26 -2.963 6.954 -2.115 1.00 0.41 O ATOM 332 NE2 GLN A 26 -3.775 8.392 -0.701 1.00 0.68 N ATOM 0 H GLN A 26 -5.385 3.226 0.067 1.00 0.24 H new ATOM 0 HA GLN A 26 -3.901 4.827 2.180 1.00 0.22 H new ATOM 0 HB2 GLN A 26 -2.645 4.192 0.047 1.00 0.25 H new ATOM 0 HB3 GLN A 26 -3.938 4.901 -0.900 1.00 0.25 H new ATOM 0 HG2 GLN A 26 -3.037 6.800 1.143 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -1.669 6.247 0.197 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -3.963 8.657 0.266 1.00 0.68 H new ATOM 0 HE22 GLN A 26 -4.051 9.012 -1.463 1.00 0.68 H new ATOM 341 N ILE A 27 -5.396 6.786 2.028 1.00 0.23 N ATOM 342 CA ILE A 27 -6.461 7.845 2.077 1.00 0.28 C ATOM 343 C ILE A 27 -5.894 9.206 1.651 1.00 0.32 C ATOM 344 O ILE A 27 -4.692 9.409 1.599 1.00 0.33 O ATOM 345 CB ILE A 27 -6.985 7.915 3.525 1.00 0.30 C ATOM 346 CG1 ILE A 27 -6.132 7.070 4.484 1.00 0.40 C ATOM 347 CG2 ILE A 27 -8.427 7.405 3.559 1.00 0.44 C ATOM 348 CD1 ILE A 27 -6.715 7.152 5.898 1.00 0.56 C ATOM 0 H ILE A 27 -4.615 6.928 2.668 1.00 0.23 H new ATOM 0 HA ILE A 27 -7.269 7.596 1.389 1.00 0.28 H new ATOM 0 HB ILE A 27 -6.932 8.953 3.853 1.00 0.30 H new ATOM 0 HG12 ILE A 27 -6.109 6.033 4.149 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -5.103 7.428 4.483 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -8.805 7.451 4.580 1.00 0.44 H new ATOM 0 HG22 ILE A 27 -9.048 8.026 2.914 1.00 0.44 H new ATOM 0 HG23 ILE A 27 -8.457 6.374 3.207 1.00 0.44 H new ATOM 0 HD11 ILE A 27 -6.109 6.552 6.577 1.00 0.56 H new ATOM 0 HD12 ILE A 27 -6.715 8.190 6.232 1.00 0.56 H new ATOM 0 HD13 ILE A 27 -7.737 6.773 5.893 1.00 0.56 H new ATOM 360 N ALA A 28 -6.760 10.138 1.337 1.00 0.40 N ATOM 361 CA ALA A 28 -6.302 11.497 0.899 1.00 0.50 C ATOM 362 C ALA A 28 -6.154 12.463 2.093 1.00 0.54 C ATOM 363 O ALA A 28 -5.798 13.611 1.918 1.00 0.76 O ATOM 364 CB ALA A 28 -7.398 11.981 -0.054 1.00 0.62 C ATOM 0 H ALA A 28 -7.772 10.016 1.365 1.00 0.40 H new ATOM 0 HA ALA A 28 -5.320 11.459 0.428 1.00 0.50 H new ATOM 0 HB1 ALA A 28 -7.145 12.974 -0.425 1.00 0.62 H new ATOM 0 HB2 ALA A 28 -7.482 11.290 -0.893 1.00 0.62 H new ATOM 0 HB3 ALA A 28 -8.349 12.024 0.477 1.00 0.62 H new ATOM 370 N GLY A 29 -6.419 12.015 3.300 1.00 0.46 N ATOM 371 CA GLY A 29 -6.286 12.919 4.489 1.00 0.52 C ATOM 372 C GLY A 29 -4.814 13.285 4.695 1.00 0.51 C ATOM 373 O GLY A 29 -4.464 14.442 4.819 1.00 0.69 O ATOM 0 H GLY A 29 -6.721 11.064 3.512 1.00 0.46 H new ATOM 0 HA2 GLY A 29 -6.878 13.822 4.340 1.00 0.52 H new ATOM 0 HA3 GLY A 29 -6.676 12.425 5.379 1.00 0.52 H new ATOM 377 N GLN A 30 -3.949 12.304 4.728 1.00 0.37 N ATOM 378 CA GLN A 30 -2.490 12.585 4.919 1.00 0.39 C ATOM 379 C GLN A 30 -1.655 12.006 3.758 1.00 0.35 C ATOM 380 O GLN A 30 -0.438 12.038 3.792 1.00 0.42 O ATOM 381 CB GLN A 30 -2.129 11.897 6.235 1.00 0.41 C ATOM 382 CG GLN A 30 -1.237 12.825 7.071 1.00 0.58 C ATOM 383 CD GLN A 30 0.151 12.200 7.236 1.00 0.76 C ATOM 384 OE1 GLN A 30 0.614 12.007 8.337 1.00 0.82 O ATOM 385 NE2 GLN A 30 0.840 11.875 6.181 1.00 1.08 N ATOM 0 H GLN A 30 -4.189 11.317 4.631 1.00 0.37 H new ATOM 0 HA GLN A 30 -2.282 13.655 4.939 1.00 0.39 H new ATOM 0 HB2 GLN A 30 -3.035 11.650 6.789 1.00 0.41 H new ATOM 0 HB3 GLN A 30 -1.611 10.959 6.037 1.00 0.41 H new ATOM 0 HG2 GLN A 30 -1.153 13.797 6.586 1.00 0.58 H new ATOM 0 HG3 GLN A 30 -1.688 12.994 8.049 1.00 0.58 H new ATOM 0 HE21 GLN A 30 0.454 12.036 5.251 1.00 1.08 H new ATOM 0 HE22 GLN A 30 1.766 11.460 6.285 1.00 1.08 H new ATOM 394 N SER A 31 -2.301 11.471 2.742 1.00 0.31 N ATOM 395 CA SER A 31 -1.570 10.876 1.568 1.00 0.31 C ATOM 396 C SER A 31 -0.735 9.666 2.004 1.00 0.26 C ATOM 397 O SER A 31 0.430 9.542 1.668 1.00 0.30 O ATOM 398 CB SER A 31 -0.674 11.989 1.014 1.00 0.40 C ATOM 399 OG SER A 31 -0.521 11.803 -0.391 1.00 0.54 O ATOM 0 H SER A 31 -3.318 11.421 2.676 1.00 0.31 H new ATOM 0 HA SER A 31 -2.265 10.517 0.809 1.00 0.31 H new ATOM 0 HB2 SER A 31 -1.115 12.965 1.219 1.00 0.40 H new ATOM 0 HB3 SER A 31 0.299 11.969 1.505 1.00 0.40 H new ATOM 0 HG SER A 31 0.050 12.512 -0.755 1.00 0.54 H new ATOM 405 N TYR A 32 -1.331 8.767 2.738 1.00 0.25 N ATOM 406 CA TYR A 32 -0.591 7.550 3.195 1.00 0.24 C ATOM 407 C TYR A 32 -1.492 6.310 3.087 1.00 0.22 C ATOM 408 O TYR A 32 -2.693 6.386 3.293 1.00 0.27 O ATOM 409 CB TYR A 32 -0.193 7.843 4.651 1.00 0.30 C ATOM 410 CG TYR A 32 -1.360 7.609 5.584 1.00 0.32 C ATOM 411 CD1 TYR A 32 -2.341 8.594 5.744 1.00 0.41 C ATOM 412 CD2 TYR A 32 -1.448 6.410 6.301 1.00 0.42 C ATOM 413 CE1 TYR A 32 -3.412 8.378 6.619 1.00 0.50 C ATOM 414 CE2 TYR A 32 -2.518 6.197 7.178 1.00 0.52 C ATOM 415 CZ TYR A 32 -3.499 7.181 7.337 1.00 0.52 C ATOM 416 OH TYR A 32 -4.549 6.974 8.204 1.00 0.66 O ATOM 0 H TYR A 32 -2.303 8.821 3.044 1.00 0.25 H new ATOM 0 HA TYR A 32 0.287 7.339 2.585 1.00 0.24 H new ATOM 0 HB2 TYR A 32 0.643 7.206 4.940 1.00 0.30 H new ATOM 0 HB3 TYR A 32 0.148 8.875 4.739 1.00 0.30 H new ATOM 0 HD1 TYR A 32 -2.272 9.520 5.193 1.00 0.41 H new ATOM 0 HD2 TYR A 32 -0.691 5.650 6.178 1.00 0.42 H new ATOM 0 HE1 TYR A 32 -4.172 9.136 6.740 1.00 0.50 H new ATOM 0 HE2 TYR A 32 -2.586 5.272 7.732 1.00 0.52 H new ATOM 0 HH TYR A 32 -4.460 6.092 8.621 1.00 0.66 H new ATOM 426 N GLY A 33 -0.933 5.173 2.740 1.00 0.22 N ATOM 427 CA GLY A 33 -1.780 3.950 2.604 1.00 0.28 C ATOM 428 C GLY A 33 -1.041 2.697 3.061 1.00 0.26 C ATOM 429 O GLY A 33 0.160 2.704 3.269 1.00 0.31 O ATOM 0 H GLY A 33 0.060 5.042 2.548 1.00 0.22 H new ATOM 0 HA2 GLY A 33 -2.690 4.070 3.192 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -2.086 3.833 1.564 1.00 0.28 H new ATOM 433 N VAL A 34 -1.761 1.611 3.201 1.00 0.24 N ATOM 434 CA VAL A 34 -1.113 0.331 3.635 1.00 0.26 C ATOM 435 C VAL A 34 -1.377 -0.772 2.604 1.00 0.22 C ATOM 436 O VAL A 34 -2.481 -0.938 2.121 1.00 0.23 O ATOM 437 CB VAL A 34 -1.724 -0.022 5.002 1.00 0.33 C ATOM 438 CG1 VAL A 34 -1.359 1.058 6.022 1.00 0.44 C ATOM 439 CG2 VAL A 34 -3.248 -0.118 4.900 1.00 0.42 C ATOM 0 H VAL A 34 -2.766 1.554 3.035 1.00 0.24 H new ATOM 0 HA VAL A 34 -0.031 0.434 3.715 1.00 0.26 H new ATOM 0 HB VAL A 34 -1.326 -0.986 5.320 1.00 0.33 H new ATOM 0 HG11 VAL A 34 -1.793 0.806 6.990 1.00 0.44 H new ATOM 0 HG12 VAL A 34 -0.275 1.119 6.115 1.00 0.44 H new ATOM 0 HG13 VAL A 34 -1.749 2.020 5.689 1.00 0.44 H new ATOM 0 HG21 VAL A 34 -3.663 -0.368 5.876 1.00 0.42 H new ATOM 0 HG22 VAL A 34 -3.651 0.839 4.569 1.00 0.42 H new ATOM 0 HG23 VAL A 34 -3.517 -0.893 4.182 1.00 0.42 H new ATOM 449 N CYS A 35 -0.370 -1.523 2.245 1.00 0.22 N ATOM 450 CA CYS A 35 -0.572 -2.597 1.225 1.00 0.21 C ATOM 451 C CYS A 35 -0.995 -3.914 1.863 1.00 0.21 C ATOM 452 O CYS A 35 -0.762 -4.173 3.030 1.00 0.24 O ATOM 453 CB CYS A 35 0.770 -2.786 0.538 1.00 0.24 C ATOM 454 SG CYS A 35 1.233 -1.274 -0.338 1.00 0.27 S ATOM 0 H CYS A 35 0.579 -1.441 2.610 1.00 0.22 H new ATOM 0 HA CYS A 35 -1.363 -2.308 0.532 1.00 0.21 H new ATOM 0 HB2 CYS A 35 1.533 -3.038 1.275 1.00 0.24 H new ATOM 0 HB3 CYS A 35 0.716 -3.620 -0.162 1.00 0.24 H new ATOM 459 N LYS A 36 -1.604 -4.743 1.073 1.00 0.19 N ATOM 460 CA LYS A 36 -2.070 -6.080 1.554 1.00 0.21 C ATOM 461 C LYS A 36 -2.087 -7.086 0.391 1.00 0.22 C ATOM 462 O LYS A 36 -1.476 -6.872 -0.643 1.00 0.25 O ATOM 463 CB LYS A 36 -3.479 -5.823 2.087 1.00 0.23 C ATOM 464 CG LYS A 36 -3.498 -6.012 3.608 1.00 0.28 C ATOM 465 CD LYS A 36 -3.635 -7.501 3.953 1.00 0.32 C ATOM 466 CE LYS A 36 -2.576 -7.891 4.990 1.00 0.45 C ATOM 467 NZ LYS A 36 -1.761 -8.983 4.364 1.00 0.33 N ATOM 0 H LYS A 36 -1.806 -4.553 0.092 1.00 0.19 H new ATOM 0 HA LYS A 36 -1.420 -6.507 2.317 1.00 0.21 H new ATOM 0 HB2 LYS A 36 -3.796 -4.812 1.832 1.00 0.23 H new ATOM 0 HB3 LYS A 36 -4.186 -6.506 1.617 1.00 0.23 H new ATOM 0 HG2 LYS A 36 -2.582 -5.613 4.043 1.00 0.28 H new ATOM 0 HG3 LYS A 36 -4.327 -5.453 4.041 1.00 0.28 H new ATOM 0 HD2 LYS A 36 -4.632 -7.703 4.344 1.00 0.32 H new ATOM 0 HD3 LYS A 36 -3.517 -8.105 3.053 1.00 0.32 H new ATOM 0 HE2 LYS A 36 -1.950 -7.037 5.248 1.00 0.45 H new ATOM 0 HE3 LYS A 36 -3.043 -8.234 5.913 1.00 0.45 H new ATOM 0 HZ1 LYS A 36 -1.601 -9.739 5.060 1.00 0.33 H new ATOM 0 HZ2 LYS A 36 -2.270 -9.370 3.544 1.00 0.33 H new ATOM 0 HZ3 LYS A 36 -0.846 -8.599 4.054 1.00 0.33 H new ATOM 481 N ASN A 37 -2.789 -8.173 0.557 1.00 0.25 N ATOM 482 CA ASN A 37 -2.873 -9.211 -0.517 1.00 0.29 C ATOM 483 C ASN A 37 -3.685 -8.681 -1.718 1.00 0.28 C ATOM 484 O ASN A 37 -3.122 -8.189 -2.678 1.00 0.33 O ATOM 485 CB ASN A 37 -3.572 -10.405 0.156 1.00 0.35 C ATOM 486 CG ASN A 37 -2.749 -10.880 1.359 1.00 0.43 C ATOM 487 OD1 ASN A 37 -2.631 -10.178 2.352 1.00 0.45 O ATOM 488 ND2 ASN A 37 -2.169 -12.042 1.319 1.00 0.54 N ATOM 0 H ASN A 37 -3.316 -8.392 1.402 1.00 0.25 H new ATOM 0 HA ASN A 37 -1.897 -9.487 -0.916 1.00 0.29 H new ATOM 0 HB2 ASN A 37 -4.572 -10.117 0.479 1.00 0.35 H new ATOM 0 HB3 ASN A 37 -3.690 -11.219 -0.559 1.00 0.35 H new ATOM 0 HD21 ASN A 37 -1.618 -12.365 2.114 1.00 0.54 H new ATOM 0 HD22 ASN A 37 -2.265 -12.632 0.492 1.00 0.54 H new ATOM 495 N ARG A 38 -4.994 -8.765 -1.668 1.00 0.31 N ATOM 496 CA ARG A 38 -5.835 -8.262 -2.796 1.00 0.35 C ATOM 497 C ARG A 38 -7.322 -8.286 -2.408 1.00 0.41 C ATOM 498 CB ARG A 38 -5.568 -9.215 -3.967 1.00 0.43 C ATOM 499 CG ARG A 38 -6.162 -8.630 -5.254 1.00 0.48 C ATOM 500 CD ARG A 38 -7.519 -9.284 -5.533 1.00 0.59 C ATOM 501 NE ARG A 38 -8.364 -8.191 -6.104 1.00 0.71 N ATOM 502 CZ ARG A 38 -9.610 -8.084 -5.758 1.00 0.77 C ATOM 503 NH1 ARG A 38 -9.920 -7.776 -4.540 1.00 0.73 N ATOM 504 NH2 ARG A 38 -10.543 -8.288 -6.636 1.00 0.96 N ATOM 0 H ARG A 38 -5.517 -9.163 -0.888 1.00 0.31 H new ATOM 0 HA ARG A 38 -5.591 -7.231 -3.054 1.00 0.35 H new ATOM 0 HB2 ARG A 38 -4.495 -9.368 -4.087 1.00 0.43 H new ATOM 0 HB3 ARG A 38 -6.008 -10.191 -3.762 1.00 0.43 H new ATOM 0 HG2 ARG A 38 -6.280 -7.551 -5.155 1.00 0.48 H new ATOM 0 HG3 ARG A 38 -5.485 -8.801 -6.091 1.00 0.48 H new ATOM 0 HD2 ARG A 38 -7.421 -10.114 -6.233 1.00 0.59 H new ATOM 0 HD3 ARG A 38 -7.958 -9.687 -4.620 1.00 0.59 H new ATOM 0 HE ARG A 38 -7.961 -7.529 -6.766 1.00 0.71 H new ATOM 0 HH11 ARG A 38 -9.185 -7.617 -3.851 1.00 0.73 H new ATOM 0 HH12 ARG A 38 -10.900 -7.692 -4.269 1.00 0.73 H new ATOM 0 HH21 ARG A 38 -10.296 -8.532 -7.595 1.00 0.96 H new ATOM 0 HH22 ARG A 38 -11.523 -8.205 -6.367 1.00 0.96 H new