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 6 ASN : amide:sc= 0.796 K(o=2.7,f=-24!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -163:sc= 1.05! (180deg=0) USER MOD Set 1.3: A 37 ASN : amide:sc= 0.894 K(o=2.7,f=-21!) USER MOD Set 2.1: A 1 ALA N :NH3+ 179:sc= 0.629 (180deg=0) USER MOD Set 2.2: A 18 TYR OH : rot 150:sc= 1.09 USER MOD Set 3.1: A 11 ASN : amide:sc= -1.31 K(o=-2.2,f=-7.2!) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 26 GLN : amide:sc= -0.937 K(o=-2.2,f=-8!) USER MOD Set 3.4: A 31 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 1.03 (180deg=0.815) USER MOD Single : A 21 SER OG : rot 85:sc= -0.637! USER MOD Single : A 22 SER OG : rot 24:sc= 1.14 USER MOD Single : A 23 TYR OH : rot -145:sc= 0.259 USER MOD Single : A 30 GLN : amide:sc= -1.14 K(o=-1.1,f=-8.4!) USER MOD Single : A 32 TYR OH : rot -102:sc= 0.94 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.324 -2.097 -4.405 1.00 0.71 N ATOM 2 CA ALA A 1 12.181 -1.618 -2.996 1.00 0.63 C ATOM 3 C ALA A 1 11.665 -2.752 -2.093 1.00 0.59 C ATOM 4 O ALA A 1 11.323 -3.818 -2.566 1.00 0.74 O ATOM 5 CB ALA A 1 11.160 -0.475 -3.070 1.00 0.67 C ATOM 0 H1 ALA A 1 12.657 -1.316 -5.005 1.00 0.71 H new ATOM 0 H2 ALA A 1 13.012 -2.877 -4.439 1.00 0.71 H new ATOM 0 H3 ALA A 1 11.403 -2.432 -4.753 1.00 0.71 H new ATOM 0 HA ALA A 1 13.130 -1.290 -2.572 1.00 0.63 H new ATOM 0 HB1 ALA A 1 10.998 -0.067 -2.072 1.00 0.67 H new ATOM 0 HB2 ALA A 1 11.538 0.309 -3.726 1.00 0.67 H new ATOM 0 HB3 ALA A 1 10.217 -0.854 -3.464 1.00 0.67 H new ATOM 10 N GLY A 2 11.609 -2.526 -0.802 1.00 0.54 N ATOM 11 CA GLY A 2 11.115 -3.589 0.134 1.00 0.61 C ATOM 12 C GLY A 2 9.590 -3.498 0.265 1.00 0.55 C ATOM 13 O GLY A 2 9.021 -2.423 0.235 1.00 0.76 O ATOM 0 H GLY A 2 11.884 -1.651 -0.355 1.00 0.54 H new ATOM 0 HA2 GLY A 2 11.399 -4.574 -0.237 1.00 0.61 H new ATOM 0 HA3 GLY A 2 11.581 -3.470 1.112 1.00 0.61 H new ATOM 17 N CYS A 3 8.922 -4.618 0.409 1.00 0.51 N ATOM 18 CA CYS A 3 7.427 -4.591 0.538 1.00 0.45 C ATOM 19 C CYS A 3 6.942 -5.624 1.568 1.00 0.44 C ATOM 20 O CYS A 3 7.633 -6.570 1.888 1.00 0.53 O ATOM 21 CB CYS A 3 6.897 -4.932 -0.860 1.00 0.45 C ATOM 22 SG CYS A 3 7.340 -6.637 -1.300 1.00 0.52 S ATOM 0 H CYS A 3 9.343 -5.546 0.443 1.00 0.51 H new ATOM 0 HA CYS A 3 7.071 -3.621 0.886 1.00 0.45 H new ATOM 0 HB2 CYS A 3 5.814 -4.812 -0.886 1.00 0.45 H new ATOM 0 HB3 CYS A 3 7.312 -4.240 -1.593 1.00 0.45 H new ATOM 27 N ILE A 4 5.747 -5.445 2.081 1.00 0.37 N ATOM 28 CA ILE A 4 5.199 -6.414 3.086 1.00 0.37 C ATOM 29 C ILE A 4 3.802 -6.882 2.646 1.00 0.34 C ATOM 30 O ILE A 4 2.833 -6.144 2.719 1.00 0.34 O ATOM 31 CB ILE A 4 5.129 -5.637 4.411 1.00 0.40 C ATOM 32 CG1 ILE A 4 6.535 -5.174 4.817 1.00 0.50 C ATOM 33 CG2 ILE A 4 4.570 -6.543 5.512 1.00 0.48 C ATOM 34 CD1 ILE A 4 6.425 -4.000 5.794 1.00 0.79 C ATOM 0 H ILE A 4 5.127 -4.670 1.847 1.00 0.37 H new ATOM 0 HA ILE A 4 5.818 -7.305 3.185 1.00 0.37 H new ATOM 0 HB ILE A 4 4.480 -4.771 4.279 1.00 0.40 H new ATOM 0 HG12 ILE A 4 7.080 -5.996 5.280 1.00 0.50 H new ATOM 0 HG13 ILE A 4 7.100 -4.874 3.934 1.00 0.50 H new ATOM 0 HG21 ILE A 4 4.522 -5.989 6.450 1.00 0.48 H new ATOM 0 HG22 ILE A 4 3.570 -6.877 5.236 1.00 0.48 H new ATOM 0 HG23 ILE A 4 5.220 -7.409 5.635 1.00 0.48 H new ATOM 0 HD11 ILE A 4 7.424 -3.672 6.082 1.00 0.79 H new ATOM 0 HD12 ILE A 4 5.896 -3.176 5.315 1.00 0.79 H new ATOM 0 HD13 ILE A 4 5.877 -4.316 6.682 1.00 0.79 H new ATOM 46 N LYS A 5 3.702 -8.100 2.170 1.00 0.36 N ATOM 47 CA LYS A 5 2.386 -8.639 1.695 1.00 0.34 C ATOM 48 C LYS A 5 1.302 -8.525 2.781 1.00 0.32 C ATOM 49 O LYS A 5 0.135 -8.343 2.485 1.00 0.36 O ATOM 50 CB LYS A 5 2.660 -10.112 1.362 1.00 0.42 C ATOM 51 CG LYS A 5 2.417 -10.357 -0.130 1.00 0.50 C ATOM 52 CD LYS A 5 3.758 -10.430 -0.869 1.00 0.61 C ATOM 53 CE LYS A 5 3.584 -11.233 -2.164 1.00 0.62 C ATOM 54 NZ LYS A 5 4.550 -10.626 -3.126 1.00 0.69 N ATOM 0 H LYS A 5 4.483 -8.751 2.089 1.00 0.36 H new ATOM 0 HA LYS A 5 2.012 -8.079 0.838 1.00 0.34 H new ATOM 0 HB2 LYS A 5 3.688 -10.368 1.620 1.00 0.42 H new ATOM 0 HB3 LYS A 5 2.012 -10.756 1.957 1.00 0.42 H new ATOM 0 HG2 LYS A 5 1.863 -11.285 -0.270 1.00 0.50 H new ATOM 0 HG3 LYS A 5 1.806 -9.555 -0.545 1.00 0.50 H new ATOM 0 HD2 LYS A 5 4.115 -9.426 -1.096 1.00 0.61 H new ATOM 0 HD3 LYS A 5 4.510 -10.900 -0.235 1.00 0.61 H new ATOM 0 HE2 LYS A 5 3.797 -12.290 -2.005 1.00 0.62 H new ATOM 0 HE3 LYS A 5 2.562 -11.166 -2.536 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 4.679 -11.264 -3.938 1.00 0.69 H new ATOM 0 HZ2 LYS A 5 4.181 -9.712 -3.459 1.00 0.69 H new ATOM 0 HZ3 LYS A 5 5.464 -10.479 -2.653 1.00 0.69 H new ATOM 68 N ASN A 6 1.673 -8.638 4.032 1.00 0.34 N ATOM 69 CA ASN A 6 0.651 -8.547 5.120 1.00 0.35 C ATOM 70 C ASN A 6 0.581 -7.138 5.738 1.00 0.39 C ATOM 71 O ASN A 6 -0.093 -6.940 6.730 1.00 0.59 O ATOM 72 CB ASN A 6 1.096 -9.575 6.166 1.00 0.43 C ATOM 73 CG ASN A 6 -0.070 -10.508 6.509 1.00 0.41 C ATOM 74 OD1 ASN A 6 -1.122 -10.448 5.898 1.00 0.39 O ATOM 75 ND2 ASN A 6 0.069 -11.375 7.465 1.00 0.78 N ATOM 0 H ASN A 6 2.632 -8.788 4.346 1.00 0.34 H new ATOM 0 HA ASN A 6 -0.350 -8.745 4.736 1.00 0.35 H new ATOM 0 HB2 ASN A 6 1.937 -10.154 5.784 1.00 0.43 H new ATOM 0 HB3 ASN A 6 1.442 -9.065 7.065 1.00 0.43 H new ATOM 0 HD21 ASN A 6 -0.700 -12.002 7.701 1.00 0.78 H new ATOM 0 HD22 ASN A 6 0.948 -11.430 7.980 1.00 0.78 H new ATOM 82 N GLY A 7 1.250 -6.155 5.175 1.00 0.42 N ATOM 83 CA GLY A 7 1.170 -4.781 5.773 1.00 0.44 C ATOM 84 C GLY A 7 2.243 -3.850 5.194 1.00 0.41 C ATOM 85 O GLY A 7 3.045 -3.291 5.923 1.00 0.50 O ATOM 0 H GLY A 7 1.836 -6.241 4.345 1.00 0.42 H new ATOM 0 HA2 GLY A 7 0.182 -4.359 5.586 1.00 0.44 H new ATOM 0 HA3 GLY A 7 1.289 -4.847 6.854 1.00 0.44 H new ATOM 89 N GLY A 8 2.248 -3.649 3.899 1.00 0.36 N ATOM 90 CA GLY A 8 3.252 -2.720 3.279 1.00 0.37 C ATOM 91 C GLY A 8 2.687 -1.292 3.291 1.00 0.34 C ATOM 92 O GLY A 8 1.600 -1.060 3.785 1.00 0.32 O ATOM 0 H GLY A 8 1.602 -4.086 3.242 1.00 0.36 H new ATOM 0 HA2 GLY A 8 4.191 -2.758 3.831 1.00 0.37 H new ATOM 0 HA3 GLY A 8 3.470 -3.030 2.257 1.00 0.37 H new ATOM 96 N ARG A 9 3.399 -0.334 2.756 1.00 0.39 N ATOM 97 CA ARG A 9 2.876 1.071 2.752 1.00 0.37 C ATOM 98 C ARG A 9 3.090 1.728 1.380 1.00 0.38 C ATOM 99 O ARG A 9 4.111 1.544 0.748 1.00 0.46 O ATOM 100 CB ARG A 9 3.692 1.789 3.829 1.00 0.43 C ATOM 101 CG ARG A 9 2.773 2.666 4.688 1.00 0.46 C ATOM 102 CD ARG A 9 1.764 1.794 5.448 1.00 0.48 C ATOM 103 NE ARG A 9 2.550 1.146 6.543 1.00 0.53 N ATOM 104 CZ ARG A 9 2.491 -0.141 6.707 1.00 0.62 C ATOM 105 NH1 ARG A 9 1.515 -0.665 7.377 1.00 0.83 N ATOM 106 NH2 ARG A 9 3.413 -0.898 6.203 1.00 0.73 N ATOM 0 H ARG A 9 4.314 -0.459 2.324 1.00 0.39 H new ATOM 0 HA ARG A 9 1.805 1.113 2.948 1.00 0.37 H new ATOM 0 HB2 ARG A 9 4.202 1.059 4.457 1.00 0.43 H new ATOM 0 HB3 ARG A 9 4.463 2.403 3.363 1.00 0.43 H new ATOM 0 HG2 ARG A 9 3.368 3.246 5.394 1.00 0.46 H new ATOM 0 HG3 ARG A 9 2.244 3.379 4.056 1.00 0.46 H new ATOM 0 HD2 ARG A 9 0.949 2.395 5.851 1.00 0.48 H new ATOM 0 HD3 ARG A 9 1.315 1.049 4.792 1.00 0.48 H new ATOM 0 HE ARG A 9 3.131 1.714 7.160 1.00 0.53 H new ATOM 0 HH11 ARG A 9 0.792 -0.067 7.776 1.00 0.83 H new ATOM 0 HH12 ARG A 9 1.469 -1.676 7.505 1.00 0.83 H new ATOM 0 HH21 ARG A 9 4.183 -0.483 5.679 1.00 0.73 H new ATOM 0 HH22 ARG A 9 3.369 -1.909 6.330 1.00 0.73 H new ATOM 120 N CYS A 10 2.135 2.504 0.921 1.00 0.33 N ATOM 121 CA CYS A 10 2.296 3.184 -0.410 1.00 0.35 C ATOM 122 C CYS A 10 1.527 4.507 -0.450 1.00 0.32 C ATOM 123 O CYS A 10 1.087 5.017 0.565 1.00 0.36 O ATOM 124 CB CYS A 10 1.754 2.198 -1.460 1.00 0.37 C ATOM 125 SG CYS A 10 -0.029 2.432 -1.704 1.00 0.30 S ATOM 0 H CYS A 10 1.257 2.696 1.404 1.00 0.33 H new ATOM 0 HA CYS A 10 3.340 3.432 -0.602 1.00 0.35 H new ATOM 0 HB2 CYS A 10 2.277 2.343 -2.405 1.00 0.37 H new ATOM 0 HB3 CYS A 10 1.951 1.175 -1.140 1.00 0.37 H new ATOM 130 N ASN A 11 1.373 5.063 -1.622 1.00 0.34 N ATOM 131 CA ASN A 11 0.641 6.363 -1.770 1.00 0.37 C ATOM 132 C ASN A 11 -0.027 6.457 -3.157 1.00 0.33 C ATOM 133 O ASN A 11 -0.167 5.470 -3.857 1.00 0.42 O ATOM 134 CB ASN A 11 1.721 7.441 -1.600 1.00 0.57 C ATOM 135 CG ASN A 11 2.619 7.508 -2.839 1.00 0.68 C ATOM 136 OD1 ASN A 11 2.916 6.503 -3.450 1.00 0.71 O ATOM 137 ND2 ASN A 11 3.067 8.664 -3.234 1.00 1.05 N ATOM 0 H ASN A 11 1.726 4.670 -2.495 1.00 0.34 H new ATOM 0 HA ASN A 11 -0.161 6.473 -1.040 1.00 0.37 H new ATOM 0 HB2 ASN A 11 1.251 8.410 -1.432 1.00 0.57 H new ATOM 0 HB3 ASN A 11 2.324 7.223 -0.719 1.00 0.57 H new ATOM 0 HD21 ASN A 11 3.667 8.724 -4.057 1.00 1.05 H new ATOM 0 HD22 ASN A 11 2.818 9.510 -2.721 1.00 1.05 H new ATOM 144 N ALA A 12 -0.439 7.638 -3.556 1.00 0.37 N ATOM 145 CA ALA A 12 -1.099 7.803 -4.894 1.00 0.46 C ATOM 146 C ALA A 12 -0.055 8.145 -5.977 1.00 0.58 C ATOM 147 O ALA A 12 -0.114 9.182 -6.609 1.00 0.93 O ATOM 148 CB ALA A 12 -2.099 8.948 -4.700 1.00 0.53 C ATOM 0 H ALA A 12 -0.347 8.496 -3.013 1.00 0.37 H new ATOM 0 HA ALA A 12 -1.592 6.891 -5.230 1.00 0.46 H new ATOM 0 HB1 ALA A 12 -2.626 9.133 -5.636 1.00 0.53 H new ATOM 0 HB2 ALA A 12 -2.817 8.676 -3.927 1.00 0.53 H new ATOM 0 HB3 ALA A 12 -1.566 9.850 -4.399 1.00 0.53 H new ATOM 154 N SER A 13 0.895 7.271 -6.194 1.00 0.52 N ATOM 155 CA SER A 13 1.948 7.530 -7.232 1.00 0.68 C ATOM 156 C SER A 13 2.405 6.209 -7.872 1.00 0.52 C ATOM 157 O SER A 13 2.897 5.327 -7.196 1.00 0.71 O ATOM 158 CB SER A 13 3.112 8.158 -6.467 1.00 1.10 C ATOM 159 OG SER A 13 2.818 9.519 -6.167 1.00 1.55 O ATOM 0 H SER A 13 0.990 6.385 -5.697 1.00 0.52 H new ATOM 0 HA SER A 13 1.579 8.171 -8.033 1.00 0.68 H new ATOM 0 HB2 SER A 13 3.294 7.605 -5.546 1.00 1.10 H new ATOM 0 HB3 SER A 13 4.024 8.096 -7.061 1.00 1.10 H new ATOM 0 HG SER A 13 3.568 9.915 -5.675 1.00 1.55 H new ATOM 165 N ALA A 14 2.259 6.061 -9.167 1.00 0.67 N ATOM 166 CA ALA A 14 2.700 4.786 -9.825 1.00 0.91 C ATOM 167 C ALA A 14 4.233 4.767 -9.991 1.00 1.12 C ATOM 168 O ALA A 14 4.752 4.908 -11.083 1.00 1.40 O ATOM 169 CB ALA A 14 2.000 4.776 -11.188 1.00 1.22 C ATOM 0 H ALA A 14 1.858 6.759 -9.793 1.00 0.67 H new ATOM 0 HA ALA A 14 2.442 3.907 -9.234 1.00 0.91 H new ATOM 0 HB1 ALA A 14 2.274 3.871 -11.731 1.00 1.22 H new ATOM 0 HB2 ALA A 14 0.920 4.799 -11.043 1.00 1.22 H new ATOM 0 HB3 ALA A 14 2.308 5.650 -11.762 1.00 1.22 H new ATOM 175 N GLY A 15 4.960 4.595 -8.911 1.00 1.21 N ATOM 176 CA GLY A 15 6.456 4.572 -9.005 1.00 1.57 C ATOM 177 C GLY A 15 7.044 3.502 -8.069 1.00 1.32 C ATOM 178 O GLY A 15 6.535 2.401 -7.992 1.00 1.15 O ATOM 0 H GLY A 15 4.583 4.470 -7.971 1.00 1.21 H new ATOM 0 HA2 GLY A 15 6.758 4.369 -10.033 1.00 1.57 H new ATOM 0 HA3 GLY A 15 6.857 5.551 -8.743 1.00 1.57 H new ATOM 182 N PRO A 16 8.119 3.862 -7.396 1.00 1.34 N ATOM 183 CA PRO A 16 8.803 2.918 -6.469 1.00 1.17 C ATOM 184 C PRO A 16 7.962 2.505 -5.230 1.00 1.02 C ATOM 185 O PRO A 16 8.107 1.388 -4.766 1.00 0.89 O ATOM 186 CB PRO A 16 10.076 3.663 -6.064 1.00 1.35 C ATOM 187 CG PRO A 16 9.770 5.106 -6.284 1.00 1.57 C ATOM 188 CD PRO A 16 8.804 5.163 -7.438 1.00 1.59 C ATOM 0 HA PRO A 16 8.991 1.963 -6.960 1.00 1.17 H new ATOM 0 HB2 PRO A 16 10.332 3.469 -5.022 1.00 1.35 H new ATOM 0 HB3 PRO A 16 10.927 3.345 -6.666 1.00 1.35 H new ATOM 0 HG2 PRO A 16 9.334 5.552 -5.390 1.00 1.57 H new ATOM 0 HG3 PRO A 16 10.678 5.666 -6.509 1.00 1.57 H new ATOM 0 HD2 PRO A 16 8.100 5.988 -7.328 1.00 1.59 H new ATOM 0 HD3 PRO A 16 9.323 5.310 -8.385 1.00 1.59 H new ATOM 196 N PRO A 17 7.121 3.382 -4.705 1.00 1.10 N ATOM 197 CA PRO A 17 6.316 3.008 -3.507 1.00 1.01 C ATOM 198 C PRO A 17 5.178 2.040 -3.882 1.00 0.81 C ATOM 199 O PRO A 17 4.009 2.341 -3.715 1.00 0.80 O ATOM 200 CB PRO A 17 5.765 4.342 -3.013 1.00 1.25 C ATOM 201 CG PRO A 17 5.746 5.228 -4.215 1.00 1.40 C ATOM 202 CD PRO A 17 6.837 4.757 -5.142 1.00 1.33 C ATOM 0 HA PRO A 17 6.903 2.488 -2.750 1.00 1.01 H new ATOM 0 HB2 PRO A 17 4.765 4.224 -2.595 1.00 1.25 H new ATOM 0 HB3 PRO A 17 6.393 4.760 -2.226 1.00 1.25 H new ATOM 0 HG2 PRO A 17 4.776 5.182 -4.710 1.00 1.40 H new ATOM 0 HG3 PRO A 17 5.909 6.267 -3.928 1.00 1.40 H new ATOM 0 HD2 PRO A 17 6.513 4.784 -6.182 1.00 1.33 H new ATOM 0 HD3 PRO A 17 7.722 5.389 -5.067 1.00 1.33 H new ATOM 210 N TYR A 18 5.512 0.871 -4.366 1.00 0.72 N ATOM 211 CA TYR A 18 4.451 -0.121 -4.731 1.00 0.57 C ATOM 212 C TYR A 18 4.247 -1.130 -3.588 1.00 0.40 C ATOM 213 O TYR A 18 5.093 -1.295 -2.726 1.00 0.50 O ATOM 214 CB TYR A 18 4.927 -0.813 -6.022 1.00 0.57 C ATOM 215 CG TYR A 18 6.339 -1.337 -5.873 1.00 0.49 C ATOM 216 CD1 TYR A 18 6.606 -2.411 -5.017 1.00 0.39 C ATOM 217 CD2 TYR A 18 7.377 -0.751 -6.604 1.00 0.64 C ATOM 218 CE1 TYR A 18 7.913 -2.897 -4.890 1.00 0.43 C ATOM 219 CE2 TYR A 18 8.684 -1.237 -6.479 1.00 0.63 C ATOM 220 CZ TYR A 18 8.952 -2.309 -5.621 1.00 0.51 C ATOM 221 OH TYR A 18 10.241 -2.791 -5.500 1.00 0.59 O ATOM 0 H TYR A 18 6.470 0.559 -4.525 1.00 0.72 H new ATOM 0 HA TYR A 18 3.487 0.361 -4.893 1.00 0.57 H new ATOM 0 HB2 TYR A 18 4.255 -1.636 -6.266 1.00 0.57 H new ATOM 0 HB3 TYR A 18 4.883 -0.109 -6.853 1.00 0.57 H new ATOM 0 HD1 TYR A 18 5.804 -2.865 -4.454 1.00 0.39 H new ATOM 0 HD2 TYR A 18 7.170 0.077 -7.266 1.00 0.64 H new ATOM 0 HE1 TYR A 18 8.119 -3.725 -4.228 1.00 0.43 H new ATOM 0 HE2 TYR A 18 9.485 -0.785 -7.045 1.00 0.63 H new ATOM 0 HH TYR A 18 10.723 -2.651 -6.342 1.00 0.59 H new ATOM 231 N CYS A 19 3.121 -1.795 -3.564 1.00 0.28 N ATOM 232 CA CYS A 19 2.856 -2.777 -2.465 1.00 0.26 C ATOM 233 C CYS A 19 3.551 -4.118 -2.735 1.00 0.26 C ATOM 234 O CYS A 19 4.188 -4.310 -3.750 1.00 0.31 O ATOM 235 CB CYS A 19 1.335 -2.918 -2.423 1.00 0.26 C ATOM 236 SG CYS A 19 0.641 -1.358 -1.835 1.00 0.33 S ATOM 0 H CYS A 19 2.375 -1.703 -4.254 1.00 0.28 H new ATOM 0 HA CYS A 19 3.253 -2.440 -1.507 1.00 0.26 H new ATOM 0 HB2 CYS A 19 0.948 -3.157 -3.413 1.00 0.26 H new ATOM 0 HB3 CYS A 19 1.047 -3.736 -1.762 1.00 0.26 H new ATOM 241 N CYS A 20 3.464 -5.035 -1.804 1.00 0.27 N ATOM 242 CA CYS A 20 4.157 -6.357 -1.967 1.00 0.34 C ATOM 243 C CYS A 20 3.301 -7.385 -2.713 1.00 0.34 C ATOM 244 O CYS A 20 3.822 -8.255 -3.393 1.00 0.41 O ATOM 245 CB CYS A 20 4.393 -6.826 -0.541 1.00 0.39 C ATOM 246 SG CYS A 20 5.913 -7.805 -0.461 1.00 0.53 S ATOM 0 H CYS A 20 2.942 -4.928 -0.934 1.00 0.27 H new ATOM 0 HA CYS A 20 5.068 -6.252 -2.557 1.00 0.34 H new ATOM 0 HB2 CYS A 20 4.467 -5.967 0.126 1.00 0.39 H new ATOM 0 HB3 CYS A 20 3.547 -7.423 -0.200 1.00 0.39 H new ATOM 251 N SER A 21 2.006 -7.321 -2.576 1.00 0.29 N ATOM 252 CA SER A 21 1.135 -8.320 -3.274 1.00 0.31 C ATOM 253 C SER A 21 0.305 -7.624 -4.355 1.00 0.32 C ATOM 254 O SER A 21 0.591 -7.738 -5.532 1.00 0.43 O ATOM 255 CB SER A 21 0.233 -8.928 -2.189 1.00 0.29 C ATOM 256 OG SER A 21 0.326 -8.156 -0.993 1.00 0.27 O ATOM 0 H SER A 21 1.511 -6.627 -2.016 1.00 0.29 H new ATOM 0 HA SER A 21 1.720 -9.094 -3.771 1.00 0.31 H new ATOM 0 HB2 SER A 21 -0.800 -8.955 -2.536 1.00 0.29 H new ATOM 0 HB3 SER A 21 0.530 -9.958 -1.992 1.00 0.29 H new ATOM 0 HG SER A 21 -0.297 -7.401 -1.042 1.00 0.27 H new ATOM 262 N SER A 22 -0.719 -6.903 -3.969 1.00 0.27 N ATOM 263 CA SER A 22 -1.566 -6.195 -4.983 1.00 0.30 C ATOM 264 C SER A 22 -2.602 -5.252 -4.339 1.00 0.26 C ATOM 265 O SER A 22 -3.523 -4.815 -4.998 1.00 0.34 O ATOM 266 CB SER A 22 -2.287 -7.306 -5.752 1.00 0.37 C ATOM 267 OG SER A 22 -1.491 -7.711 -6.862 1.00 0.74 O ATOM 0 H SER A 22 -1.006 -6.773 -2.999 1.00 0.27 H new ATOM 0 HA SER A 22 -0.945 -5.565 -5.620 1.00 0.30 H new ATOM 0 HB2 SER A 22 -2.473 -8.156 -5.095 1.00 0.37 H new ATOM 0 HB3 SER A 22 -3.258 -6.952 -6.098 1.00 0.37 H new ATOM 0 HG SER A 22 -0.551 -7.496 -6.687 1.00 0.74 H new ATOM 273 N TYR A 23 -2.484 -4.932 -3.071 1.00 0.21 N ATOM 274 CA TYR A 23 -3.499 -4.029 -2.452 1.00 0.21 C ATOM 275 C TYR A 23 -2.849 -2.902 -1.651 1.00 0.18 C ATOM 276 O TYR A 23 -1.778 -3.056 -1.099 1.00 0.19 O ATOM 277 CB TYR A 23 -4.271 -4.927 -1.504 1.00 0.22 C ATOM 278 CG TYR A 23 -5.540 -4.235 -1.068 1.00 0.26 C ATOM 279 CD1 TYR A 23 -6.662 -4.224 -1.901 1.00 0.50 C ATOM 280 CD2 TYR A 23 -5.586 -3.597 0.177 1.00 0.33 C ATOM 281 CE1 TYR A 23 -7.831 -3.575 -1.488 1.00 0.56 C ATOM 282 CE2 TYR A 23 -6.753 -2.950 0.589 1.00 0.36 C ATOM 283 CZ TYR A 23 -7.875 -2.939 -0.243 1.00 0.39 C ATOM 284 OH TYR A 23 -9.025 -2.304 0.165 1.00 0.48 O ATOM 0 H TYR A 23 -1.741 -5.252 -2.450 1.00 0.21 H new ATOM 0 HA TYR A 23 -4.117 -3.553 -3.213 1.00 0.21 H new ATOM 0 HB2 TYR A 23 -4.510 -5.870 -1.995 1.00 0.22 H new ATOM 0 HB3 TYR A 23 -3.659 -5.166 -0.635 1.00 0.22 H new ATOM 0 HD1 TYR A 23 -6.627 -4.716 -2.862 1.00 0.50 H new ATOM 0 HD2 TYR A 23 -4.718 -3.605 0.820 1.00 0.33 H new ATOM 0 HE1 TYR A 23 -8.699 -3.565 -2.130 1.00 0.56 H new ATOM 0 HE2 TYR A 23 -6.788 -2.459 1.550 1.00 0.36 H new ATOM 0 HH TYR A 23 -8.792 -1.508 0.687 1.00 0.48 H new ATOM 294 N CYS A 24 -3.530 -1.790 -1.552 1.00 0.18 N ATOM 295 CA CYS A 24 -3.024 -0.636 -0.741 1.00 0.18 C ATOM 296 C CYS A 24 -4.197 0.221 -0.248 1.00 0.18 C ATOM 297 O CYS A 24 -4.907 0.819 -1.033 1.00 0.25 O ATOM 298 CB CYS A 24 -2.100 0.192 -1.634 1.00 0.22 C ATOM 299 SG CYS A 24 -0.872 0.995 -0.567 1.00 0.25 S ATOM 0 H CYS A 24 -4.429 -1.628 -2.005 1.00 0.18 H new ATOM 0 HA CYS A 24 -2.482 -0.995 0.134 1.00 0.18 H new ATOM 0 HB2 CYS A 24 -1.609 -0.445 -2.370 1.00 0.22 H new ATOM 0 HB3 CYS A 24 -2.671 0.937 -2.188 1.00 0.22 H new ATOM 304 N PHE A 25 -4.401 0.290 1.039 1.00 0.16 N ATOM 305 CA PHE A 25 -5.522 1.110 1.585 1.00 0.17 C ATOM 306 C PHE A 25 -5.007 2.509 1.939 1.00 0.17 C ATOM 307 O PHE A 25 -4.420 2.716 2.985 1.00 0.23 O ATOM 308 CB PHE A 25 -5.966 0.367 2.843 1.00 0.19 C ATOM 309 CG PHE A 25 -7.450 0.569 3.061 1.00 0.24 C ATOM 310 CD1 PHE A 25 -7.907 1.716 3.723 1.00 0.44 C ATOM 311 CD2 PHE A 25 -8.366 -0.385 2.602 1.00 0.46 C ATOM 312 CE1 PHE A 25 -9.280 1.907 3.924 1.00 0.49 C ATOM 313 CE2 PHE A 25 -9.738 -0.194 2.805 1.00 0.52 C ATOM 314 CZ PHE A 25 -10.195 0.952 3.466 1.00 0.41 C ATOM 0 H PHE A 25 -3.836 -0.189 1.741 1.00 0.16 H new ATOM 0 HA PHE A 25 -6.341 1.236 0.877 1.00 0.17 H new ATOM 0 HB2 PHE A 25 -5.745 -0.696 2.746 1.00 0.19 H new ATOM 0 HB3 PHE A 25 -5.409 0.731 3.707 1.00 0.19 H new ATOM 0 HD1 PHE A 25 -7.201 2.452 4.078 1.00 0.44 H new ATOM 0 HD2 PHE A 25 -8.014 -1.269 2.091 1.00 0.46 H new ATOM 0 HE1 PHE A 25 -9.633 2.792 4.433 1.00 0.49 H new ATOM 0 HE2 PHE A 25 -10.444 -0.931 2.452 1.00 0.52 H new ATOM 0 HZ PHE A 25 -11.253 1.099 3.623 1.00 0.41 H new ATOM 324 N GLN A 26 -5.210 3.461 1.072 1.00 0.22 N ATOM 325 CA GLN A 26 -4.728 4.849 1.339 1.00 0.24 C ATOM 326 C GLN A 26 -5.914 5.793 1.567 1.00 0.26 C ATOM 327 O GLN A 26 -7.015 5.544 1.114 1.00 0.36 O ATOM 328 CB GLN A 26 -3.937 5.219 0.085 1.00 0.33 C ATOM 329 CG GLN A 26 -3.815 6.740 -0.019 1.00 0.48 C ATOM 330 CD GLN A 26 -3.350 7.140 -1.420 1.00 0.37 C ATOM 331 OE1 GLN A 26 -2.335 7.785 -1.571 1.00 0.42 O ATOM 332 NE2 GLN A 26 -4.053 6.788 -2.456 1.00 0.69 N ATOM 0 H GLN A 26 -5.693 3.338 0.182 1.00 0.22 H new ATOM 0 HA GLN A 26 -4.116 4.925 2.238 1.00 0.24 H new ATOM 0 HB2 GLN A 26 -2.946 4.767 0.122 1.00 0.33 H new ATOM 0 HB3 GLN A 26 -4.435 4.823 -0.800 1.00 0.33 H new ATOM 0 HG2 GLN A 26 -4.777 7.205 0.199 1.00 0.48 H new ATOM 0 HG3 GLN A 26 -3.108 7.107 0.725 1.00 0.48 H new ATOM 0 HE21 GLN A 26 -4.908 6.245 -2.332 1.00 0.69 H new ATOM 0 HE22 GLN A 26 -3.750 7.055 -3.393 1.00 0.69 H new ATOM 341 N ILE A 27 -5.693 6.878 2.266 1.00 0.27 N ATOM 342 CA ILE A 27 -6.810 7.844 2.529 1.00 0.32 C ATOM 343 C ILE A 27 -6.421 9.258 2.068 1.00 0.33 C ATOM 344 O ILE A 27 -5.280 9.526 1.742 1.00 0.37 O ATOM 345 CB ILE A 27 -7.084 7.814 4.047 1.00 0.37 C ATOM 346 CG1 ILE A 27 -6.082 6.907 4.781 1.00 0.46 C ATOM 347 CG2 ILE A 27 -8.500 7.285 4.292 1.00 0.57 C ATOM 348 CD1 ILE A 27 -6.322 6.982 6.293 1.00 0.60 C ATOM 0 H ILE A 27 -4.792 7.138 2.666 1.00 0.27 H new ATOM 0 HA ILE A 27 -7.705 7.564 1.974 1.00 0.32 H new ATOM 0 HB ILE A 27 -6.978 8.829 4.431 1.00 0.37 H new ATOM 0 HG12 ILE A 27 -6.190 5.878 4.437 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -5.062 7.215 4.550 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -8.699 7.262 5.363 1.00 0.57 H new ATOM 0 HG22 ILE A 27 -9.222 7.938 3.803 1.00 0.57 H new ATOM 0 HG23 ILE A 27 -8.588 6.278 3.885 1.00 0.57 H new ATOM 0 HD11 ILE A 27 -5.609 6.337 6.807 1.00 0.60 H new ATOM 0 HD12 ILE A 27 -6.191 8.010 6.632 1.00 0.60 H new ATOM 0 HD13 ILE A 27 -7.336 6.652 6.517 1.00 0.60 H new ATOM 360 N ALA A 28 -7.372 10.156 2.020 1.00 0.40 N ATOM 361 CA ALA A 28 -7.079 11.552 1.559 1.00 0.44 C ATOM 362 C ALA A 28 -6.286 12.348 2.611 1.00 0.42 C ATOM 363 O ALA A 28 -6.168 11.950 3.758 1.00 0.46 O ATOM 364 CB ALA A 28 -8.457 12.181 1.332 1.00 0.58 C ATOM 0 H ALA A 28 -8.343 9.984 2.281 1.00 0.40 H new ATOM 0 HA ALA A 28 -6.461 11.556 0.661 1.00 0.44 H new ATOM 0 HB1 ALA A 28 -8.336 13.209 0.991 1.00 0.58 H new ATOM 0 HB2 ALA A 28 -8.998 11.610 0.577 1.00 0.58 H new ATOM 0 HB3 ALA A 28 -9.019 12.172 2.266 1.00 0.58 H new ATOM 370 N GLY A 29 -5.730 13.465 2.211 1.00 0.45 N ATOM 371 CA GLY A 29 -4.930 14.314 3.148 1.00 0.46 C ATOM 372 C GLY A 29 -3.577 14.605 2.507 1.00 0.41 C ATOM 373 O GLY A 29 -3.139 15.736 2.426 1.00 0.45 O ATOM 0 H GLY A 29 -5.798 13.830 1.261 1.00 0.45 H new ATOM 0 HA2 GLY A 29 -5.457 15.245 3.358 1.00 0.46 H new ATOM 0 HA3 GLY A 29 -4.795 13.802 4.101 1.00 0.46 H new ATOM 377 N GLN A 30 -2.920 13.577 2.046 1.00 0.38 N ATOM 378 CA GLN A 30 -1.591 13.744 1.394 1.00 0.43 C ATOM 379 C GLN A 30 -1.361 12.619 0.365 1.00 0.48 C ATOM 380 O GLN A 30 -1.550 12.806 -0.820 1.00 0.58 O ATOM 381 CB GLN A 30 -0.601 13.660 2.557 1.00 0.46 C ATOM 382 CG GLN A 30 0.835 13.854 2.040 1.00 0.60 C ATOM 383 CD GLN A 30 1.694 12.641 2.411 1.00 0.74 C ATOM 384 OE1 GLN A 30 1.207 11.536 2.492 1.00 0.96 O ATOM 385 NE2 GLN A 30 2.963 12.799 2.636 1.00 1.21 N ATOM 0 H GLN A 30 -3.253 12.614 2.094 1.00 0.38 H new ATOM 0 HA GLN A 30 -1.491 14.678 0.841 1.00 0.43 H new ATOM 0 HB2 GLN A 30 -0.835 14.422 3.300 1.00 0.46 H new ATOM 0 HB3 GLN A 30 -0.691 12.693 3.053 1.00 0.46 H new ATOM 0 HG2 GLN A 30 0.826 13.986 0.958 1.00 0.60 H new ATOM 0 HG3 GLN A 30 1.265 14.759 2.468 1.00 0.60 H new ATOM 0 HE21 GLN A 30 3.381 13.727 2.570 1.00 1.21 H new ATOM 0 HE22 GLN A 30 3.542 11.995 2.879 1.00 1.21 H new ATOM 394 N SER A 31 -0.964 11.451 0.827 1.00 0.48 N ATOM 395 CA SER A 31 -0.718 10.280 -0.071 1.00 0.56 C ATOM 396 C SER A 31 -0.134 9.128 0.760 1.00 0.56 C ATOM 397 O SER A 31 1.035 8.809 0.665 1.00 0.68 O ATOM 398 CB SER A 31 0.298 10.742 -1.123 1.00 0.73 C ATOM 399 OG SER A 31 0.056 10.042 -2.343 1.00 0.42 O ATOM 0 H SER A 31 -0.797 11.261 1.815 1.00 0.48 H new ATOM 0 HA SER A 31 -1.635 9.931 -0.546 1.00 0.56 H new ATOM 0 HB2 SER A 31 0.212 11.817 -1.282 1.00 0.73 H new ATOM 0 HB3 SER A 31 1.313 10.552 -0.775 1.00 0.73 H new ATOM 0 HG SER A 31 0.701 10.333 -3.021 1.00 0.42 H new ATOM 405 N TYR A 32 -0.935 8.512 1.590 1.00 0.46 N ATOM 406 CA TYR A 32 -0.413 7.389 2.435 1.00 0.51 C ATOM 407 C TYR A 32 -1.419 6.233 2.494 1.00 0.41 C ATOM 408 O TYR A 32 -2.579 6.415 2.820 1.00 0.41 O ATOM 409 CB TYR A 32 -0.174 7.982 3.837 1.00 0.57 C ATOM 410 CG TYR A 32 -1.312 8.895 4.243 1.00 0.47 C ATOM 411 CD1 TYR A 32 -2.502 8.357 4.746 1.00 0.47 C ATOM 412 CD2 TYR A 32 -1.169 10.279 4.121 1.00 0.49 C ATOM 413 CE1 TYR A 32 -3.550 9.207 5.126 1.00 0.49 C ATOM 414 CE2 TYR A 32 -2.216 11.130 4.502 1.00 0.47 C ATOM 415 CZ TYR A 32 -3.406 10.593 5.003 1.00 0.48 C ATOM 416 OH TYR A 32 -4.435 11.430 5.382 1.00 0.57 O ATOM 0 H TYR A 32 -1.922 8.734 1.721 1.00 0.46 H new ATOM 0 HA TYR A 32 0.506 6.977 2.018 1.00 0.51 H new ATOM 0 HB2 TYR A 32 -0.073 7.176 4.564 1.00 0.57 H new ATOM 0 HB3 TYR A 32 0.763 8.538 3.845 1.00 0.57 H new ATOM 0 HD1 TYR A 32 -2.613 7.287 4.841 1.00 0.47 H new ATOM 0 HD2 TYR A 32 -0.251 10.694 3.733 1.00 0.49 H new ATOM 0 HE1 TYR A 32 -4.469 8.792 5.514 1.00 0.49 H new ATOM 0 HE2 TYR A 32 -2.104 12.200 4.409 1.00 0.47 H new ATOM 0 HH TYR A 32 -4.915 11.740 4.586 1.00 0.57 H new ATOM 426 N GLY A 33 -0.983 5.040 2.179 1.00 0.37 N ATOM 427 CA GLY A 33 -1.910 3.867 2.214 1.00 0.32 C ATOM 428 C GLY A 33 -1.195 2.632 2.758 1.00 0.30 C ATOM 429 O GLY A 33 0.023 2.574 2.801 1.00 0.38 O ATOM 0 H GLY A 33 -0.026 4.827 1.899 1.00 0.37 H new ATOM 0 HA2 GLY A 33 -2.774 4.098 2.838 1.00 0.32 H new ATOM 0 HA3 GLY A 33 -2.286 3.664 1.211 1.00 0.32 H new ATOM 433 N VAL A 34 -1.944 1.635 3.157 1.00 0.23 N ATOM 434 CA VAL A 34 -1.303 0.388 3.688 1.00 0.22 C ATOM 435 C VAL A 34 -1.494 -0.746 2.682 1.00 0.18 C ATOM 436 O VAL A 34 -2.561 -0.928 2.134 1.00 0.17 O ATOM 437 CB VAL A 34 -1.990 0.069 5.028 1.00 0.28 C ATOM 438 CG1 VAL A 34 -1.920 1.289 5.952 1.00 0.41 C ATOM 439 CG2 VAL A 34 -3.456 -0.302 4.799 1.00 0.35 C ATOM 0 H VAL A 34 -2.964 1.627 3.139 1.00 0.23 H new ATOM 0 HA VAL A 34 -0.231 0.514 3.840 1.00 0.22 H new ATOM 0 HB VAL A 34 -1.474 -0.773 5.489 1.00 0.28 H new ATOM 0 HG11 VAL A 34 -2.408 1.057 6.899 1.00 0.41 H new ATOM 0 HG12 VAL A 34 -0.877 1.547 6.135 1.00 0.41 H new ATOM 0 HG13 VAL A 34 -2.425 2.132 5.481 1.00 0.41 H new ATOM 0 HG21 VAL A 34 -3.929 -0.525 5.756 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -3.973 0.532 4.325 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -3.513 -1.178 4.153 1.00 0.35 H new ATOM 449 N CYS A 35 -0.465 -1.495 2.412 1.00 0.20 N ATOM 450 CA CYS A 35 -0.593 -2.588 1.408 1.00 0.17 C ATOM 451 C CYS A 35 -1.062 -3.892 2.035 1.00 0.17 C ATOM 452 O CYS A 35 -0.872 -4.158 3.207 1.00 0.21 O ATOM 453 CB CYS A 35 0.790 -2.773 0.815 1.00 0.24 C ATOM 454 SG CYS A 35 1.336 -1.225 0.056 1.00 0.35 S ATOM 0 H CYS A 35 0.456 -1.400 2.840 1.00 0.20 H new ATOM 0 HA CYS A 35 -1.338 -2.323 0.658 1.00 0.17 H new ATOM 0 HB2 CYS A 35 1.492 -3.077 1.592 1.00 0.24 H new ATOM 0 HB3 CYS A 35 0.774 -3.569 0.071 1.00 0.24 H new ATOM 459 N LYS A 36 -1.667 -4.703 1.226 1.00 0.16 N ATOM 460 CA LYS A 36 -2.185 -6.025 1.685 1.00 0.19 C ATOM 461 C LYS A 36 -2.180 -7.021 0.516 1.00 0.19 C ATOM 462 O LYS A 36 -1.564 -6.780 -0.511 1.00 0.20 O ATOM 463 CB LYS A 36 -3.609 -5.738 2.165 1.00 0.26 C ATOM 464 CG LYS A 36 -3.698 -5.938 3.682 1.00 0.33 C ATOM 465 CD LYS A 36 -3.924 -7.421 4.003 1.00 0.35 C ATOM 466 CE LYS A 36 -2.628 -8.031 4.545 1.00 0.41 C ATOM 467 NZ LYS A 36 -2.849 -9.508 4.520 1.00 0.39 N ATOM 0 H LYS A 36 -1.832 -4.505 0.239 1.00 0.16 H new ATOM 0 HA LYS A 36 -1.578 -6.469 2.474 1.00 0.19 H new ATOM 0 HB2 LYS A 36 -3.890 -4.717 1.907 1.00 0.26 H new ATOM 0 HB3 LYS A 36 -4.313 -6.400 1.660 1.00 0.26 H new ATOM 0 HG2 LYS A 36 -2.781 -5.590 4.157 1.00 0.33 H new ATOM 0 HG3 LYS A 36 -4.514 -5.341 4.089 1.00 0.33 H new ATOM 0 HD2 LYS A 36 -4.723 -7.527 4.737 1.00 0.35 H new ATOM 0 HD3 LYS A 36 -4.242 -7.954 3.107 1.00 0.35 H new ATOM 0 HE2 LYS A 36 -1.773 -7.750 3.929 1.00 0.41 H new ATOM 0 HE3 LYS A 36 -2.421 -7.681 5.556 1.00 0.41 H new ATOM 0 HZ1 LYS A 36 -2.146 -9.975 5.128 1.00 0.39 H new ATOM 0 HZ2 LYS A 36 -3.805 -9.722 4.868 1.00 0.39 H new ATOM 0 HZ3 LYS A 36 -2.749 -9.857 3.546 1.00 0.39 H new ATOM 481 N ASN A 37 -2.849 -8.134 0.663 1.00 0.26 N ATOM 482 CA ASN A 37 -2.880 -9.159 -0.432 1.00 0.28 C ATOM 483 C ASN A 37 -3.497 -8.583 -1.723 1.00 0.31 C ATOM 484 O ASN A 37 -2.787 -8.259 -2.657 1.00 0.36 O ATOM 485 CB ASN A 37 -3.738 -10.304 0.126 1.00 0.40 C ATOM 486 CG ASN A 37 -2.984 -11.004 1.260 1.00 0.48 C ATOM 487 OD1 ASN A 37 -2.749 -10.419 2.300 1.00 0.49 O ATOM 488 ND2 ASN A 37 -2.595 -12.235 1.108 1.00 0.65 N ATOM 0 H ASN A 37 -3.380 -8.382 1.498 1.00 0.26 H new ATOM 0 HA ASN A 37 -1.879 -9.491 -0.706 1.00 0.28 H new ATOM 0 HB2 ASN A 37 -4.688 -9.915 0.493 1.00 0.40 H new ATOM 0 HB3 ASN A 37 -3.970 -11.017 -0.665 1.00 0.40 H new ATOM 0 HD21 ASN A 37 -2.094 -12.708 1.860 1.00 0.65 H new ATOM 0 HD22 ASN A 37 -2.791 -12.728 0.237 1.00 0.65 H new ATOM 495 N ARG A 38 -4.800 -8.451 -1.783 1.00 0.41 N ATOM 496 CA ARG A 38 -5.451 -7.900 -3.009 1.00 0.52 C ATOM 497 C ARG A 38 -6.892 -7.450 -2.716 1.00 0.66 C ATOM 498 CB ARG A 38 -5.443 -9.045 -4.028 1.00 0.66 C ATOM 499 CG ARG A 38 -6.144 -10.265 -3.432 1.00 0.79 C ATOM 500 CD ARG A 38 -7.382 -10.611 -4.265 1.00 1.01 C ATOM 501 NE ARG A 38 -8.426 -9.643 -3.812 1.00 1.07 N ATOM 502 CZ ARG A 38 -9.272 -9.150 -4.659 1.00 1.20 C ATOM 503 NH1 ARG A 38 -10.119 -9.927 -5.252 1.00 1.48 N ATOM 504 NH2 ARG A 38 -9.268 -7.880 -4.905 1.00 1.11 N ATOM 0 H ARG A 38 -5.442 -8.703 -1.031 1.00 0.41 H new ATOM 0 HA ARG A 38 -4.922 -7.022 -3.379 1.00 0.52 H new ATOM 0 HB2 ARG A 38 -5.947 -8.734 -4.943 1.00 0.66 H new ATOM 0 HB3 ARG A 38 -4.418 -9.298 -4.298 1.00 0.66 H new ATOM 0 HG2 ARG A 38 -5.460 -11.114 -3.410 1.00 0.79 H new ATOM 0 HG3 ARG A 38 -6.433 -10.062 -2.401 1.00 0.79 H new ATOM 0 HD2 ARG A 38 -7.183 -10.508 -5.332 1.00 1.01 H new ATOM 0 HD3 ARG A 38 -7.697 -11.641 -4.097 1.00 1.01 H new ATOM 0 HE ARG A 38 -8.472 -9.369 -2.831 1.00 1.07 H new ATOM 0 HH11 ARG A 38 -10.120 -10.927 -5.052 1.00 1.48 H new ATOM 0 HH12 ARG A 38 -10.786 -9.540 -5.919 1.00 1.48 H new ATOM 0 HH21 ARG A 38 -8.600 -7.271 -4.432 1.00 1.11 H new ATOM 0 HH22 ARG A 38 -9.933 -7.488 -5.572 1.00 1.11 H new TER 518 ARG A 38