USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=9 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 11 ASN : amide:sc= 2.71 K(o=3.6,f=-4.7!) USER MOD Set 1.2: A 31 SER OG : rot -79:sc= 0.905 USER MOD Set 2.1: A 5 LYS NZ :NH3+ -140:sc= 1.05! (180deg=-0.631) USER MOD Set 2.2: A 6 ASN : amide:sc= 1.84 K(o=4.9,f=-21!) USER MOD Set 2.3: A 21 SER OG : rot -85:sc= 1 USER MOD Set 2.4: A 37 ASN : amide:sc= 1.05 K(o=4.9,f=-20!) USER MOD Set 3.1: A 1 ALA N :NH3+ -137:sc= 0.769 (180deg=0) USER MOD Set 3.2: A 18 TYR OH : rot 180:sc= 0.665 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -34:sc= -0.0324! USER MOD Single : A 23 TYR OH : rot -132:sc= 0.58! USER MOD Single : A 26 GLN : amide:sc= 0.0869 K(o=0.087,f=-9!) USER MOD Single : A 30 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.8) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.560 -6.214 -6.899 1.00 3.47 N ATOM 2 CA ALA A 1 11.181 -5.386 -5.812 1.00 3.09 C ATOM 3 C ALA A 1 10.704 -5.851 -4.425 1.00 2.47 C ATOM 4 O ALA A 1 9.790 -6.643 -4.312 1.00 2.38 O ATOM 5 CB ALA A 1 10.709 -3.957 -6.095 1.00 3.46 C ATOM 0 H1 ALA A 1 11.281 -6.450 -7.611 1.00 3.47 H new ATOM 0 H2 ALA A 1 10.176 -7.090 -6.491 1.00 3.47 H new ATOM 0 H3 ALA A 1 9.792 -5.676 -7.349 1.00 3.47 H new ATOM 0 HA ALA A 1 12.268 -5.470 -5.804 1.00 3.09 H new ATOM 0 HB1 ALA A 1 11.119 -3.283 -5.343 1.00 3.46 H new ATOM 0 HB2 ALA A 1 11.051 -3.650 -7.083 1.00 3.46 H new ATOM 0 HB3 ALA A 1 9.620 -3.920 -6.060 1.00 3.46 H new ATOM 10 N GLY A 2 11.323 -5.363 -3.373 1.00 2.30 N ATOM 11 CA GLY A 2 10.915 -5.774 -1.991 1.00 1.93 C ATOM 12 C GLY A 2 9.532 -5.203 -1.665 1.00 1.47 C ATOM 13 O GLY A 2 9.349 -4.004 -1.581 1.00 1.65 O ATOM 0 H GLY A 2 12.094 -4.697 -3.414 1.00 2.30 H new ATOM 0 HA2 GLY A 2 10.896 -6.861 -1.916 1.00 1.93 H new ATOM 0 HA3 GLY A 2 11.646 -5.417 -1.265 1.00 1.93 H new ATOM 17 N CYS A 3 8.559 -6.056 -1.476 1.00 1.09 N ATOM 18 CA CYS A 3 7.179 -5.574 -1.149 1.00 0.77 C ATOM 19 C CYS A 3 6.669 -6.246 0.130 1.00 0.60 C ATOM 20 O CYS A 3 7.228 -7.220 0.594 1.00 0.68 O ATOM 21 CB CYS A 3 6.303 -5.971 -2.345 1.00 0.55 C ATOM 22 SG CYS A 3 6.450 -7.754 -2.672 1.00 0.52 S ATOM 0 H CYS A 3 8.659 -7.069 -1.534 1.00 1.09 H new ATOM 0 HA CYS A 3 7.160 -4.498 -0.977 1.00 0.77 H new ATOM 0 HB2 CYS A 3 5.263 -5.716 -2.143 1.00 0.55 H new ATOM 0 HB3 CYS A 3 6.604 -5.407 -3.228 1.00 0.55 H new ATOM 27 N ILE A 4 5.609 -5.732 0.701 1.00 0.51 N ATOM 28 CA ILE A 4 5.053 -6.340 1.953 1.00 0.46 C ATOM 29 C ILE A 4 3.750 -7.094 1.647 1.00 0.42 C ATOM 30 O ILE A 4 2.814 -6.532 1.105 1.00 0.49 O ATOM 31 CB ILE A 4 4.779 -5.158 2.891 1.00 0.49 C ATOM 32 CG1 ILE A 4 6.093 -4.449 3.240 1.00 0.59 C ATOM 33 CG2 ILE A 4 4.127 -5.663 4.180 1.00 0.60 C ATOM 34 CD1 ILE A 4 7.065 -5.446 3.876 1.00 0.76 C ATOM 0 H ILE A 4 5.103 -4.917 0.355 1.00 0.51 H new ATOM 0 HA ILE A 4 5.741 -7.059 2.397 1.00 0.46 H new ATOM 0 HB ILE A 4 4.111 -4.458 2.389 1.00 0.49 H new ATOM 0 HG12 ILE A 4 6.535 -4.019 2.341 1.00 0.59 H new ATOM 0 HG13 ILE A 4 5.901 -3.625 3.927 1.00 0.59 H new ATOM 0 HG21 ILE A 4 3.934 -4.821 4.844 1.00 0.60 H new ATOM 0 HG22 ILE A 4 3.187 -6.160 3.942 1.00 0.60 H new ATOM 0 HG23 ILE A 4 4.795 -6.368 4.674 1.00 0.60 H new ATOM 0 HD11 ILE A 4 7.997 -4.938 4.123 1.00 0.76 H new ATOM 0 HD12 ILE A 4 6.624 -5.855 4.785 1.00 0.76 H new ATOM 0 HD13 ILE A 4 7.267 -6.255 3.174 1.00 0.76 H new ATOM 46 N LYS A 5 3.683 -8.361 1.985 1.00 0.40 N ATOM 47 CA LYS A 5 2.443 -9.156 1.714 1.00 0.40 C ATOM 48 C LYS A 5 1.217 -8.474 2.340 1.00 0.38 C ATOM 49 O LYS A 5 0.177 -8.359 1.719 1.00 0.43 O ATOM 50 CB LYS A 5 2.696 -10.525 2.361 1.00 0.42 C ATOM 51 CG LYS A 5 1.474 -11.430 2.165 1.00 0.43 C ATOM 52 CD LYS A 5 1.550 -12.600 3.153 1.00 0.45 C ATOM 53 CE LYS A 5 0.229 -13.381 3.148 1.00 0.45 C ATOM 54 NZ LYS A 5 -0.760 -12.499 3.841 1.00 0.44 N ATOM 0 H LYS A 5 4.436 -8.879 2.438 1.00 0.40 H new ATOM 0 HA LYS A 5 2.237 -9.244 0.647 1.00 0.40 H new ATOM 0 HB2 LYS A 5 3.577 -10.989 1.918 1.00 0.42 H new ATOM 0 HB3 LYS A 5 2.901 -10.402 3.424 1.00 0.42 H new ATOM 0 HG2 LYS A 5 0.557 -10.863 2.324 1.00 0.43 H new ATOM 0 HG3 LYS A 5 1.444 -11.804 1.142 1.00 0.43 H new ATOM 0 HD2 LYS A 5 2.373 -13.261 2.883 1.00 0.45 H new ATOM 0 HD3 LYS A 5 1.757 -12.226 4.156 1.00 0.45 H new ATOM 0 HE2 LYS A 5 -0.091 -13.605 2.130 1.00 0.45 H new ATOM 0 HE3 LYS A 5 0.335 -14.334 3.666 1.00 0.45 H new ATOM 0 HZ1 LYS A 5 -1.370 -13.076 4.455 1.00 0.44 H new ATOM 0 HZ2 LYS A 5 -0.254 -11.796 4.417 1.00 0.44 H new ATOM 0 HZ3 LYS A 5 -1.345 -12.010 3.133 1.00 0.44 H new ATOM 68 N ASN A 6 1.333 -8.025 3.565 1.00 0.36 N ATOM 69 CA ASN A 6 0.180 -7.351 4.233 1.00 0.38 C ATOM 70 C ASN A 6 0.670 -6.313 5.254 1.00 0.38 C ATOM 71 O ASN A 6 1.465 -6.615 6.121 1.00 0.49 O ATOM 72 CB ASN A 6 -0.609 -8.475 4.928 1.00 0.41 C ATOM 73 CG ASN A 6 0.334 -9.559 5.471 1.00 0.39 C ATOM 74 OD1 ASN A 6 0.195 -10.717 5.134 1.00 0.42 O ATOM 75 ND2 ASN A 6 1.286 -9.240 6.299 1.00 0.45 N ATOM 0 H ASN A 6 2.178 -8.097 4.131 1.00 0.36 H new ATOM 0 HA ASN A 6 -0.439 -6.810 3.517 1.00 0.38 H new ATOM 0 HB2 ASN A 6 -1.198 -8.058 5.745 1.00 0.41 H new ATOM 0 HB3 ASN A 6 -1.312 -8.920 4.223 1.00 0.41 H new ATOM 0 HD21 ASN A 6 1.910 -9.961 6.661 1.00 0.45 H new ATOM 0 HD22 ASN A 6 1.408 -8.269 6.586 1.00 0.45 H new ATOM 82 N GLY A 7 0.195 -5.094 5.159 1.00 0.35 N ATOM 83 CA GLY A 7 0.627 -4.037 6.129 1.00 0.39 C ATOM 84 C GLY A 7 1.823 -3.258 5.574 1.00 0.38 C ATOM 85 O GLY A 7 2.665 -2.800 6.318 1.00 0.61 O ATOM 0 H GLY A 7 -0.473 -4.785 4.452 1.00 0.35 H new ATOM 0 HA2 GLY A 7 -0.200 -3.355 6.325 1.00 0.39 H new ATOM 0 HA3 GLY A 7 0.894 -4.496 7.081 1.00 0.39 H new ATOM 89 N GLY A 8 1.901 -3.089 4.278 1.00 0.32 N ATOM 90 CA GLY A 8 3.046 -2.324 3.691 1.00 0.33 C ATOM 91 C GLY A 8 2.707 -0.831 3.676 1.00 0.32 C ATOM 92 O GLY A 8 1.885 -0.368 4.440 1.00 0.47 O ATOM 0 H GLY A 8 1.225 -3.446 3.603 1.00 0.32 H new ATOM 0 HA2 GLY A 8 3.950 -2.497 4.275 1.00 0.33 H new ATOM 0 HA3 GLY A 8 3.249 -2.672 2.678 1.00 0.33 H new ATOM 96 N ARG A 9 3.330 -0.077 2.812 1.00 0.37 N ATOM 97 CA ARG A 9 3.041 1.387 2.748 1.00 0.36 C ATOM 98 C ARG A 9 2.954 1.850 1.288 1.00 0.37 C ATOM 99 O ARG A 9 3.882 1.678 0.522 1.00 0.42 O ATOM 100 CB ARG A 9 4.238 2.038 3.446 1.00 0.46 C ATOM 101 CG ARG A 9 3.753 3.131 4.403 1.00 0.65 C ATOM 102 CD ARG A 9 3.694 2.575 5.829 1.00 0.79 C ATOM 103 NE ARG A 9 3.124 3.687 6.643 1.00 1.11 N ATOM 104 CZ ARG A 9 2.000 3.524 7.271 1.00 1.07 C ATOM 105 NH1 ARG A 9 0.906 3.340 6.602 1.00 0.81 N ATOM 106 NH2 ARG A 9 1.976 3.543 8.565 1.00 1.46 N ATOM 0 H ARG A 9 4.027 -0.410 2.146 1.00 0.37 H new ATOM 0 HA ARG A 9 2.092 1.649 3.216 1.00 0.36 H new ATOM 0 HB2 ARG A 9 4.803 1.285 3.996 1.00 0.46 H new ATOM 0 HB3 ARG A 9 4.914 2.465 2.705 1.00 0.46 H new ATOM 0 HG2 ARG A 9 4.425 3.988 4.363 1.00 0.65 H new ATOM 0 HG3 ARG A 9 2.768 3.484 4.098 1.00 0.65 H new ATOM 0 HD2 ARG A 9 3.068 1.684 5.882 1.00 0.79 H new ATOM 0 HD3 ARG A 9 4.684 2.290 6.185 1.00 0.79 H new ATOM 0 HE ARG A 9 3.618 4.577 6.706 1.00 1.11 H new ATOM 0 HH11 ARG A 9 0.928 3.323 5.582 1.00 0.81 H new ATOM 0 HH12 ARG A 9 0.022 3.212 7.095 1.00 0.81 H new ATOM 0 HH21 ARG A 9 2.839 3.686 9.089 1.00 1.46 H new ATOM 0 HH22 ARG A 9 1.094 3.415 9.061 1.00 1.46 H new ATOM 120 N CYS A 10 1.852 2.433 0.894 1.00 0.34 N ATOM 121 CA CYS A 10 1.727 2.908 -0.526 1.00 0.34 C ATOM 122 C CYS A 10 0.788 4.113 -0.635 1.00 0.34 C ATOM 123 O CYS A 10 0.180 4.536 0.331 1.00 0.37 O ATOM 124 CB CYS A 10 1.159 1.728 -1.313 1.00 0.36 C ATOM 125 SG CYS A 10 -0.330 1.104 -0.493 1.00 0.39 S ATOM 0 H CYS A 10 1.037 2.602 1.484 1.00 0.34 H new ATOM 0 HA CYS A 10 2.694 3.232 -0.911 1.00 0.34 H new ATOM 0 HB2 CYS A 10 0.922 2.038 -2.331 1.00 0.36 H new ATOM 0 HB3 CYS A 10 1.904 0.936 -1.387 1.00 0.36 H new ATOM 130 N ASN A 11 0.668 4.657 -1.821 1.00 0.34 N ATOM 131 CA ASN A 11 -0.231 5.837 -2.037 1.00 0.36 C ATOM 132 C ASN A 11 -0.411 6.108 -3.543 1.00 0.33 C ATOM 133 O ASN A 11 0.238 5.497 -4.370 1.00 0.40 O ATOM 134 CB ASN A 11 0.471 7.010 -1.330 1.00 0.39 C ATOM 135 CG ASN A 11 1.369 7.779 -2.304 1.00 0.38 C ATOM 136 OD1 ASN A 11 1.025 8.861 -2.737 1.00 0.44 O ATOM 137 ND2 ASN A 11 2.507 7.269 -2.670 1.00 0.46 N ATOM 0 H ASN A 11 1.157 4.333 -2.655 1.00 0.34 H new ATOM 0 HA ASN A 11 -1.233 5.676 -1.638 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -0.275 7.684 -0.908 1.00 0.39 H new ATOM 0 HB3 ASN A 11 1.068 6.634 -0.499 1.00 0.39 H new ATOM 0 HD21 ASN A 11 3.108 7.777 -3.319 1.00 0.46 H new ATOM 0 HD22 ASN A 11 2.799 6.361 -2.308 1.00 0.46 H new ATOM 144 N ALA A 12 -1.293 7.014 -3.896 1.00 0.35 N ATOM 145 CA ALA A 12 -1.531 7.329 -5.346 1.00 0.41 C ATOM 146 C ALA A 12 -0.232 7.766 -6.046 1.00 0.42 C ATOM 147 O ALA A 12 0.070 7.328 -7.141 1.00 0.51 O ATOM 148 CB ALA A 12 -2.548 8.471 -5.339 1.00 0.51 C ATOM 0 H ALA A 12 -1.861 7.552 -3.241 1.00 0.35 H new ATOM 0 HA ALA A 12 -1.889 6.457 -5.893 1.00 0.41 H new ATOM 0 HB1 ALA A 12 -2.776 8.761 -6.365 1.00 0.51 H new ATOM 0 HB2 ALA A 12 -3.461 8.142 -4.843 1.00 0.51 H new ATOM 0 HB3 ALA A 12 -2.132 9.325 -4.804 1.00 0.51 H new ATOM 154 N SER A 13 0.535 8.621 -5.425 1.00 0.44 N ATOM 155 CA SER A 13 1.812 9.083 -6.057 1.00 0.56 C ATOM 156 C SER A 13 2.951 8.129 -5.675 1.00 0.52 C ATOM 157 O SER A 13 3.706 8.379 -4.753 1.00 0.57 O ATOM 158 CB SER A 13 2.059 10.486 -5.493 1.00 0.69 C ATOM 159 OG SER A 13 2.389 11.371 -6.559 1.00 1.18 O ATOM 0 H SER A 13 0.336 9.021 -4.508 1.00 0.44 H new ATOM 0 HA SER A 13 1.758 9.098 -7.146 1.00 0.56 H new ATOM 0 HB2 SER A 13 1.171 10.842 -4.971 1.00 0.69 H new ATOM 0 HB3 SER A 13 2.868 10.460 -4.763 1.00 0.69 H new ATOM 0 HG SER A 13 2.546 12.270 -6.201 1.00 1.18 H new ATOM 165 N ALA A 14 3.066 7.023 -6.367 1.00 0.54 N ATOM 166 CA ALA A 14 4.140 6.037 -6.039 1.00 0.59 C ATOM 167 C ALA A 14 4.929 5.637 -7.303 1.00 0.69 C ATOM 168 O ALA A 14 6.077 6.004 -7.463 1.00 0.83 O ATOM 169 CB ALA A 14 3.392 4.837 -5.448 1.00 0.56 C ATOM 0 H ALA A 14 2.462 6.761 -7.146 1.00 0.54 H new ATOM 0 HA ALA A 14 4.877 6.443 -5.346 1.00 0.59 H new ATOM 0 HB1 ALA A 14 4.107 4.060 -5.177 1.00 0.56 H new ATOM 0 HB2 ALA A 14 2.844 5.151 -4.560 1.00 0.56 H new ATOM 0 HB3 ALA A 14 2.692 4.445 -6.186 1.00 0.56 H new ATOM 175 N GLY A 15 4.328 4.884 -8.196 1.00 0.70 N ATOM 176 CA GLY A 15 5.048 4.462 -9.440 1.00 0.84 C ATOM 177 C GLY A 15 5.694 3.083 -9.231 1.00 0.84 C ATOM 178 O GLY A 15 4.999 2.090 -9.129 1.00 0.80 O ATOM 0 H GLY A 15 3.370 4.544 -8.116 1.00 0.70 H new ATOM 0 HA2 GLY A 15 4.352 4.423 -10.278 1.00 0.84 H new ATOM 0 HA3 GLY A 15 5.812 5.196 -9.694 1.00 0.84 H new ATOM 182 N PRO A 16 7.010 3.062 -9.182 1.00 0.93 N ATOM 183 CA PRO A 16 7.752 1.787 -8.991 1.00 0.98 C ATOM 184 C PRO A 16 7.505 1.109 -7.615 1.00 0.84 C ATOM 185 O PRO A 16 7.511 -0.107 -7.548 1.00 0.86 O ATOM 186 CB PRO A 16 9.218 2.185 -9.180 1.00 1.14 C ATOM 187 CG PRO A 16 9.263 3.646 -8.886 1.00 1.15 C ATOM 188 CD PRO A 16 7.926 4.204 -9.304 1.00 1.05 C ATOM 0 HA PRO A 16 7.418 1.028 -9.698 1.00 0.98 H new ATOM 0 HB2 PRO A 16 9.868 1.627 -8.506 1.00 1.14 H new ATOM 0 HB3 PRO A 16 9.556 1.976 -10.195 1.00 1.14 H new ATOM 0 HG2 PRO A 16 9.444 3.824 -7.826 1.00 1.15 H new ATOM 0 HG3 PRO A 16 10.073 4.128 -9.433 1.00 1.15 H new ATOM 0 HD2 PRO A 16 7.621 5.031 -8.663 1.00 1.05 H new ATOM 0 HD3 PRO A 16 7.954 4.586 -10.325 1.00 1.05 H new ATOM 196 N PRO A 17 7.297 1.874 -6.552 1.00 0.76 N ATOM 197 CA PRO A 17 7.057 1.246 -5.224 1.00 0.68 C ATOM 198 C PRO A 17 5.620 0.695 -5.137 1.00 0.54 C ATOM 199 O PRO A 17 4.755 1.282 -4.511 1.00 0.68 O ATOM 200 CB PRO A 17 7.268 2.394 -4.239 1.00 0.75 C ATOM 201 CG PRO A 17 6.987 3.638 -5.018 1.00 0.80 C ATOM 202 CD PRO A 17 7.267 3.342 -6.470 1.00 0.78 C ATOM 0 HA PRO A 17 7.714 0.399 -5.026 1.00 0.68 H new ATOM 0 HB2 PRO A 17 6.599 2.306 -3.383 1.00 0.75 H new ATOM 0 HB3 PRO A 17 8.286 2.396 -3.849 1.00 0.75 H new ATOM 0 HG2 PRO A 17 5.951 3.948 -4.884 1.00 0.80 H new ATOM 0 HG3 PRO A 17 7.613 4.459 -4.667 1.00 0.80 H new ATOM 0 HD2 PRO A 17 6.494 3.759 -7.115 1.00 0.78 H new ATOM 0 HD3 PRO A 17 8.215 3.776 -6.787 1.00 0.78 H new ATOM 210 N TYR A 18 5.362 -0.424 -5.763 1.00 0.52 N ATOM 211 CA TYR A 18 3.979 -1.012 -5.719 1.00 0.42 C ATOM 212 C TYR A 18 3.823 -1.962 -4.515 1.00 0.35 C ATOM 213 O TYR A 18 4.769 -2.235 -3.799 1.00 0.47 O ATOM 214 CB TYR A 18 3.780 -1.755 -7.057 1.00 0.48 C ATOM 215 CG TYR A 18 4.978 -2.616 -7.393 1.00 0.50 C ATOM 216 CD1 TYR A 18 5.265 -3.750 -6.628 1.00 0.46 C ATOM 217 CD2 TYR A 18 5.796 -2.279 -8.477 1.00 0.74 C ATOM 218 CE1 TYR A 18 6.370 -4.549 -6.943 1.00 0.57 C ATOM 219 CE2 TYR A 18 6.905 -3.077 -8.793 1.00 0.83 C ATOM 220 CZ TYR A 18 7.191 -4.213 -8.025 1.00 0.72 C ATOM 221 OH TYR A 18 8.282 -5.003 -8.332 1.00 0.87 O ATOM 0 H TYR A 18 6.043 -0.958 -6.302 1.00 0.52 H new ATOM 0 HA TYR A 18 3.223 -0.237 -5.593 1.00 0.42 H new ATOM 0 HB2 TYR A 18 2.887 -2.377 -7.000 1.00 0.48 H new ATOM 0 HB3 TYR A 18 3.614 -1.032 -7.856 1.00 0.48 H new ATOM 0 HD1 TYR A 18 4.633 -4.010 -5.792 1.00 0.46 H new ATOM 0 HD2 TYR A 18 5.573 -1.404 -9.070 1.00 0.74 H new ATOM 0 HE1 TYR A 18 6.589 -5.425 -6.351 1.00 0.57 H new ATOM 0 HE2 TYR A 18 7.538 -2.816 -9.628 1.00 0.83 H new ATOM 0 HH TYR A 18 8.746 -4.632 -9.111 1.00 0.87 H new ATOM 231 N CYS A 19 2.630 -2.453 -4.273 1.00 0.28 N ATOM 232 CA CYS A 19 2.413 -3.367 -3.102 1.00 0.32 C ATOM 233 C CYS A 19 2.943 -4.777 -3.404 1.00 0.34 C ATOM 234 O CYS A 19 3.520 -5.017 -4.441 1.00 0.37 O ATOM 235 CB CYS A 19 0.903 -3.349 -2.860 1.00 0.33 C ATOM 236 SG CYS A 19 0.432 -1.693 -2.299 1.00 0.35 S ATOM 0 H CYS A 19 1.799 -2.262 -4.833 1.00 0.28 H new ATOM 0 HA CYS A 19 2.954 -3.044 -2.213 1.00 0.32 H new ATOM 0 HB2 CYS A 19 0.369 -3.605 -3.775 1.00 0.33 H new ATOM 0 HB3 CYS A 19 0.630 -4.094 -2.113 1.00 0.33 H new ATOM 241 N CYS A 20 2.805 -5.704 -2.490 1.00 0.37 N ATOM 242 CA CYS A 20 3.370 -7.073 -2.730 1.00 0.43 C ATOM 243 C CYS A 20 2.384 -8.011 -3.431 1.00 0.42 C ATOM 244 O CYS A 20 2.779 -8.821 -4.243 1.00 0.52 O ATOM 245 CB CYS A 20 3.701 -7.587 -1.339 1.00 0.45 C ATOM 246 SG CYS A 20 5.151 -8.668 -1.408 1.00 0.61 S ATOM 0 H CYS A 20 2.331 -5.578 -1.596 1.00 0.37 H new ATOM 0 HA CYS A 20 4.233 -7.032 -3.394 1.00 0.43 H new ATOM 0 HB2 CYS A 20 3.893 -6.749 -0.669 1.00 0.45 H new ATOM 0 HB3 CYS A 20 2.850 -8.132 -0.932 1.00 0.45 H new ATOM 251 N SER A 21 1.118 -7.929 -3.125 1.00 0.36 N ATOM 252 CA SER A 21 0.140 -8.847 -3.792 1.00 0.43 C ATOM 253 C SER A 21 -0.754 -8.067 -4.761 1.00 0.45 C ATOM 254 O SER A 21 -0.577 -8.131 -5.962 1.00 0.56 O ATOM 255 CB SER A 21 -0.678 -9.456 -2.652 1.00 0.41 C ATOM 256 OG SER A 21 -1.766 -10.200 -3.193 1.00 0.54 O ATOM 0 H SER A 21 0.718 -7.276 -2.451 1.00 0.36 H new ATOM 0 HA SER A 21 0.635 -9.616 -4.385 1.00 0.43 H new ATOM 0 HB2 SER A 21 -0.047 -10.104 -2.043 1.00 0.41 H new ATOM 0 HB3 SER A 21 -1.052 -8.669 -1.997 1.00 0.41 H new ATOM 0 HG SER A 21 -2.518 -9.597 -3.371 1.00 0.54 H new ATOM 262 N SER A 22 -1.708 -7.324 -4.253 1.00 0.37 N ATOM 263 CA SER A 22 -2.604 -6.538 -5.151 1.00 0.41 C ATOM 264 C SER A 22 -3.497 -5.557 -4.367 1.00 0.34 C ATOM 265 O SER A 22 -4.566 -5.188 -4.826 1.00 0.37 O ATOM 266 CB SER A 22 -3.461 -7.579 -5.879 1.00 0.48 C ATOM 267 OG SER A 22 -4.278 -6.925 -6.853 1.00 0.52 O ATOM 0 H SER A 22 -1.903 -7.230 -3.256 1.00 0.37 H new ATOM 0 HA SER A 22 -2.022 -5.923 -5.838 1.00 0.41 H new ATOM 0 HB2 SER A 22 -2.822 -8.319 -6.362 1.00 0.48 H new ATOM 0 HB3 SER A 22 -4.086 -8.115 -5.165 1.00 0.48 H new ATOM 0 HG SER A 22 -4.533 -6.038 -6.524 1.00 0.52 H new ATOM 273 N TYR A 23 -3.094 -5.125 -3.195 1.00 0.29 N ATOM 274 CA TYR A 23 -3.952 -4.173 -2.442 1.00 0.25 C ATOM 275 C TYR A 23 -3.144 -3.020 -1.844 1.00 0.22 C ATOM 276 O TYR A 23 -1.987 -3.161 -1.487 1.00 0.24 O ATOM 277 CB TYR A 23 -4.568 -4.991 -1.329 1.00 0.25 C ATOM 278 CG TYR A 23 -5.806 -4.288 -0.810 1.00 0.26 C ATOM 279 CD1 TYR A 23 -6.693 -3.667 -1.700 1.00 0.33 C ATOM 280 CD2 TYR A 23 -6.063 -4.253 0.563 1.00 0.34 C ATOM 281 CE1 TYR A 23 -7.830 -3.016 -1.213 1.00 0.36 C ATOM 282 CE2 TYR A 23 -7.200 -3.604 1.048 1.00 0.37 C ATOM 283 CZ TYR A 23 -8.083 -2.986 0.162 1.00 0.33 C ATOM 284 OH TYR A 23 -9.202 -2.347 0.643 1.00 0.39 O ATOM 0 H TYR A 23 -2.221 -5.389 -2.738 1.00 0.29 H new ATOM 0 HA TYR A 23 -4.693 -3.719 -3.100 1.00 0.25 H new ATOM 0 HB2 TYR A 23 -4.827 -5.985 -1.694 1.00 0.25 H new ATOM 0 HB3 TYR A 23 -3.848 -5.126 -0.522 1.00 0.25 H new ATOM 0 HD1 TYR A 23 -6.498 -3.691 -2.762 1.00 0.33 H new ATOM 0 HD2 TYR A 23 -5.380 -4.729 1.251 1.00 0.34 H new ATOM 0 HE1 TYR A 23 -8.513 -2.536 -1.898 1.00 0.36 H new ATOM 0 HE2 TYR A 23 -7.396 -3.580 2.110 1.00 0.37 H new ATOM 0 HH TYR A 23 -8.949 -1.759 1.385 1.00 0.39 H new ATOM 294 N CYS A 24 -3.781 -1.892 -1.713 1.00 0.21 N ATOM 295 CA CYS A 24 -3.126 -0.687 -1.123 1.00 0.21 C ATOM 296 C CYS A 24 -4.195 0.168 -0.432 1.00 0.19 C ATOM 297 O CYS A 24 -4.997 0.811 -1.079 1.00 0.23 O ATOM 298 CB CYS A 24 -2.517 0.069 -2.308 1.00 0.28 C ATOM 299 SG CYS A 24 -1.830 1.643 -1.733 1.00 0.33 S ATOM 0 H CYS A 24 -4.750 -1.749 -1.996 1.00 0.21 H new ATOM 0 HA CYS A 24 -2.366 -0.938 -0.383 1.00 0.21 H new ATOM 0 HB2 CYS A 24 -1.736 -0.532 -2.774 1.00 0.28 H new ATOM 0 HB3 CYS A 24 -3.277 0.248 -3.068 1.00 0.28 H new ATOM 304 N PHE A 25 -4.224 0.164 0.872 1.00 0.19 N ATOM 305 CA PHE A 25 -5.253 0.957 1.608 1.00 0.22 C ATOM 306 C PHE A 25 -4.718 2.354 1.930 1.00 0.21 C ATOM 307 O PHE A 25 -4.111 2.568 2.962 1.00 0.27 O ATOM 308 CB PHE A 25 -5.487 0.166 2.893 1.00 0.27 C ATOM 309 CG PHE A 25 -6.918 0.334 3.347 1.00 0.35 C ATOM 310 CD1 PHE A 25 -7.937 -0.424 2.756 1.00 0.46 C ATOM 311 CD2 PHE A 25 -7.228 1.250 4.360 1.00 0.48 C ATOM 312 CE1 PHE A 25 -9.262 -0.268 3.177 1.00 0.55 C ATOM 313 CE2 PHE A 25 -8.554 1.407 4.782 1.00 0.58 C ATOM 314 CZ PHE A 25 -9.571 0.648 4.190 1.00 0.56 C ATOM 0 H PHE A 25 -3.577 -0.357 1.464 1.00 0.19 H new ATOM 0 HA PHE A 25 -6.167 1.098 1.031 1.00 0.22 H new ATOM 0 HB2 PHE A 25 -5.271 -0.889 2.725 1.00 0.27 H new ATOM 0 HB3 PHE A 25 -4.806 0.511 3.672 1.00 0.27 H new ATOM 0 HD1 PHE A 25 -7.699 -1.130 1.974 1.00 0.46 H new ATOM 0 HD2 PHE A 25 -6.444 1.836 4.816 1.00 0.48 H new ATOM 0 HE1 PHE A 25 -10.046 -0.854 2.721 1.00 0.55 H new ATOM 0 HE2 PHE A 25 -8.792 2.113 5.564 1.00 0.58 H new ATOM 0 HZ PHE A 25 -10.594 0.769 4.515 1.00 0.56 H new ATOM 324 N GLN A 26 -4.934 3.300 1.058 1.00 0.22 N ATOM 325 CA GLN A 26 -4.436 4.687 1.307 1.00 0.22 C ATOM 326 C GLN A 26 -5.613 5.673 1.346 1.00 0.24 C ATOM 327 O GLN A 26 -6.604 5.495 0.664 1.00 0.30 O ATOM 328 CB GLN A 26 -3.500 4.969 0.131 1.00 0.25 C ATOM 329 CG GLN A 26 -3.056 6.436 0.157 1.00 0.28 C ATOM 330 CD GLN A 26 -3.495 7.145 -1.127 1.00 0.33 C ATOM 331 OE1 GLN A 26 -2.683 7.706 -1.832 1.00 0.45 O ATOM 332 NE2 GLN A 26 -4.752 7.150 -1.465 1.00 0.50 N ATOM 0 H GLN A 26 -5.436 3.174 0.179 1.00 0.22 H new ATOM 0 HA GLN A 26 -3.924 4.794 2.263 1.00 0.22 H new ATOM 0 HB2 GLN A 26 -2.629 4.316 0.183 1.00 0.25 H new ATOM 0 HB3 GLN A 26 -4.007 4.750 -0.809 1.00 0.25 H new ATOM 0 HG2 GLN A 26 -3.486 6.938 1.023 1.00 0.28 H new ATOM 0 HG3 GLN A 26 -1.972 6.494 0.260 1.00 0.28 H new ATOM 0 HE21 GLN A 26 -5.440 6.680 -0.877 1.00 0.50 H new ATOM 0 HE22 GLN A 26 -5.049 7.624 -2.318 1.00 0.50 H new ATOM 341 N ILE A 27 -5.510 6.713 2.137 1.00 0.25 N ATOM 342 CA ILE A 27 -6.632 7.709 2.219 1.00 0.30 C ATOM 343 C ILE A 27 -6.203 9.073 1.657 1.00 0.33 C ATOM 344 O ILE A 27 -5.031 9.341 1.457 1.00 0.33 O ATOM 345 CB ILE A 27 -7.032 7.837 3.706 1.00 0.37 C ATOM 346 CG1 ILE A 27 -5.996 7.177 4.629 1.00 0.47 C ATOM 347 CG2 ILE A 27 -8.389 7.163 3.922 1.00 0.59 C ATOM 348 CD1 ILE A 27 -6.466 7.271 6.085 1.00 0.60 C ATOM 0 H ILE A 27 -4.704 6.918 2.728 1.00 0.25 H new ATOM 0 HA ILE A 27 -7.478 7.370 1.621 1.00 0.30 H new ATOM 0 HB ILE A 27 -7.084 8.898 3.951 1.00 0.37 H new ATOM 0 HG12 ILE A 27 -5.858 6.133 4.348 1.00 0.47 H new ATOM 0 HG13 ILE A 27 -5.029 7.668 4.516 1.00 0.47 H new ATOM 0 HG21 ILE A 27 -8.676 7.250 4.970 1.00 0.59 H new ATOM 0 HG22 ILE A 27 -9.140 7.648 3.298 1.00 0.59 H new ATOM 0 HG23 ILE A 27 -8.319 6.109 3.652 1.00 0.59 H new ATOM 0 HD11 ILE A 27 -5.729 6.802 6.736 1.00 0.60 H new ATOM 0 HD12 ILE A 27 -6.582 8.319 6.363 1.00 0.60 H new ATOM 0 HD13 ILE A 27 -7.423 6.760 6.192 1.00 0.60 H new ATOM 360 N ALA A 28 -7.157 9.931 1.389 1.00 0.43 N ATOM 361 CA ALA A 28 -6.833 11.278 0.823 1.00 0.54 C ATOM 362 C ALA A 28 -6.497 12.286 1.937 1.00 0.59 C ATOM 363 O ALA A 28 -7.066 12.261 3.010 1.00 0.79 O ATOM 364 CB ALA A 28 -8.100 11.698 0.070 1.00 0.71 C ATOM 0 H ALA A 28 -8.151 9.755 1.539 1.00 0.43 H new ATOM 0 HA ALA A 28 -5.957 11.247 0.175 1.00 0.54 H new ATOM 0 HB1 ALA A 28 -7.948 12.680 -0.378 1.00 0.71 H new ATOM 0 HB2 ALA A 28 -8.316 10.971 -0.713 1.00 0.71 H new ATOM 0 HB3 ALA A 28 -8.939 11.742 0.765 1.00 0.71 H new ATOM 370 N GLY A 29 -5.562 13.167 1.676 1.00 0.57 N ATOM 371 CA GLY A 29 -5.159 14.186 2.696 1.00 0.62 C ATOM 372 C GLY A 29 -3.640 14.350 2.651 1.00 0.51 C ATOM 373 O GLY A 29 -3.126 15.441 2.519 1.00 0.62 O ATOM 0 H GLY A 29 -5.056 13.224 0.792 1.00 0.57 H new ATOM 0 HA2 GLY A 29 -5.648 15.139 2.492 1.00 0.62 H new ATOM 0 HA3 GLY A 29 -5.476 13.871 3.690 1.00 0.62 H new ATOM 377 N GLN A 30 -2.924 13.262 2.749 1.00 0.38 N ATOM 378 CA GLN A 30 -1.427 13.329 2.704 1.00 0.37 C ATOM 379 C GLN A 30 -0.841 12.293 1.718 1.00 0.33 C ATOM 380 O GLN A 30 0.357 12.246 1.520 1.00 0.42 O ATOM 381 CB GLN A 30 -0.979 13.020 4.135 1.00 0.50 C ATOM 382 CG GLN A 30 0.470 13.483 4.328 1.00 0.64 C ATOM 383 CD GLN A 30 1.270 12.412 5.076 1.00 0.93 C ATOM 384 OE1 GLN A 30 1.113 11.233 4.829 1.00 0.91 O ATOM 385 NE2 GLN A 30 2.137 12.768 5.979 1.00 1.83 N ATOM 0 H GLN A 30 -3.310 12.324 2.859 1.00 0.38 H new ATOM 0 HA GLN A 30 -1.080 14.302 2.357 1.00 0.37 H new ATOM 0 HB2 GLN A 30 -1.631 13.524 4.848 1.00 0.50 H new ATOM 0 HB3 GLN A 30 -1.059 11.951 4.330 1.00 0.50 H new ATOM 0 HG2 GLN A 30 0.929 13.680 3.359 1.00 0.64 H new ATOM 0 HG3 GLN A 30 0.490 14.419 4.887 1.00 0.64 H new ATOM 0 HE21 GLN A 30 2.275 13.756 6.192 1.00 1.83 H new ATOM 0 HE22 GLN A 30 2.679 12.059 6.473 1.00 1.83 H new ATOM 394 N SER A 31 -1.671 11.463 1.110 1.00 0.28 N ATOM 395 CA SER A 31 -1.173 10.422 0.146 1.00 0.29 C ATOM 396 C SER A 31 -0.416 9.323 0.899 1.00 0.28 C ATOM 397 O SER A 31 0.754 9.083 0.669 1.00 0.33 O ATOM 398 CB SER A 31 -0.255 11.148 -0.844 1.00 0.38 C ATOM 399 OG SER A 31 -0.500 10.649 -2.157 1.00 0.39 O ATOM 0 H SER A 31 -2.682 11.466 1.245 1.00 0.28 H new ATOM 0 HA SER A 31 -1.996 9.937 -0.380 1.00 0.29 H new ATOM 0 HB2 SER A 31 -0.438 12.222 -0.809 1.00 0.38 H new ATOM 0 HB3 SER A 31 0.789 10.994 -0.572 1.00 0.38 H new ATOM 0 HG SER A 31 -0.042 9.790 -2.271 1.00 0.39 H new ATOM 405 N TYR A 32 -1.084 8.652 1.799 1.00 0.26 N ATOM 406 CA TYR A 32 -0.416 7.559 2.576 1.00 0.29 C ATOM 407 C TYR A 32 -1.398 6.406 2.860 1.00 0.26 C ATOM 408 O TYR A 32 -2.584 6.617 3.046 1.00 0.28 O ATOM 409 CB TYR A 32 0.056 8.223 3.879 1.00 0.35 C ATOM 410 CG TYR A 32 -1.128 8.559 4.757 1.00 0.41 C ATOM 411 CD1 TYR A 32 -1.879 9.712 4.508 1.00 0.48 C ATOM 412 CD2 TYR A 32 -1.468 7.720 5.822 1.00 0.65 C ATOM 413 CE1 TYR A 32 -2.972 10.027 5.324 1.00 0.70 C ATOM 414 CE2 TYR A 32 -2.562 8.034 6.641 1.00 0.83 C ATOM 415 CZ TYR A 32 -3.313 9.189 6.391 1.00 0.83 C ATOM 416 OH TYR A 32 -4.390 9.501 7.196 1.00 1.07 O ATOM 0 H TYR A 32 -2.064 8.811 2.032 1.00 0.26 H new ATOM 0 HA TYR A 32 0.415 7.117 2.026 1.00 0.29 H new ATOM 0 HB2 TYR A 32 0.733 7.555 4.411 1.00 0.35 H new ATOM 0 HB3 TYR A 32 0.617 9.129 3.651 1.00 0.35 H new ATOM 0 HD1 TYR A 32 -1.616 10.360 3.685 1.00 0.48 H new ATOM 0 HD2 TYR A 32 -0.888 6.830 6.014 1.00 0.65 H new ATOM 0 HE1 TYR A 32 -3.552 10.917 5.130 1.00 0.70 H new ATOM 0 HE2 TYR A 32 -2.825 7.386 7.464 1.00 0.83 H new ATOM 0 HH TYR A 32 -4.490 8.815 7.889 1.00 1.07 H new ATOM 426 N GLY A 33 -0.909 5.188 2.885 1.00 0.27 N ATOM 427 CA GLY A 33 -1.808 4.019 3.149 1.00 0.28 C ATOM 428 C GLY A 33 -0.987 2.760 3.444 1.00 0.28 C ATOM 429 O GLY A 33 0.161 2.837 3.852 1.00 0.34 O ATOM 0 H GLY A 33 0.072 4.953 2.734 1.00 0.27 H new ATOM 0 HA2 GLY A 33 -2.461 4.240 3.994 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -2.451 3.846 2.286 1.00 0.28 H new ATOM 433 N VAL A 34 -1.570 1.598 3.247 1.00 0.26 N ATOM 434 CA VAL A 34 -0.821 0.325 3.525 1.00 0.29 C ATOM 435 C VAL A 34 -1.155 -0.746 2.479 1.00 0.23 C ATOM 436 O VAL A 34 -2.267 -0.832 1.998 1.00 0.24 O ATOM 437 CB VAL A 34 -1.269 -0.132 4.923 1.00 0.36 C ATOM 438 CG1 VAL A 34 -0.922 0.939 5.956 1.00 0.49 C ATOM 439 CG2 VAL A 34 -2.781 -0.376 4.940 1.00 0.40 C ATOM 0 H VAL A 34 -2.524 1.475 2.908 1.00 0.26 H new ATOM 0 HA VAL A 34 0.256 0.484 3.480 1.00 0.29 H new ATOM 0 HB VAL A 34 -0.751 -1.059 5.168 1.00 0.36 H new ATOM 0 HG11 VAL A 34 -1.242 0.609 6.944 1.00 0.49 H new ATOM 0 HG12 VAL A 34 0.155 1.105 5.960 1.00 0.49 H new ATOM 0 HG13 VAL A 34 -1.431 1.869 5.702 1.00 0.49 H new ATOM 0 HG21 VAL A 34 -3.086 -0.699 5.935 1.00 0.40 H new ATOM 0 HG22 VAL A 34 -3.301 0.547 4.683 1.00 0.40 H new ATOM 0 HG23 VAL A 34 -3.033 -1.149 4.214 1.00 0.40 H new ATOM 449 N CYS A 35 -0.203 -1.575 2.126 1.00 0.23 N ATOM 450 CA CYS A 35 -0.483 -2.639 1.112 1.00 0.21 C ATOM 451 C CYS A 35 -0.998 -3.909 1.785 1.00 0.17 C ATOM 452 O CYS A 35 -0.795 -4.148 2.962 1.00 0.20 O ATOM 453 CB CYS A 35 0.836 -2.937 0.418 1.00 0.27 C ATOM 454 SG CYS A 35 1.378 -1.490 -0.522 1.00 0.34 S ATOM 0 H CYS A 35 0.749 -1.562 2.493 1.00 0.23 H new ATOM 0 HA CYS A 35 -1.245 -2.303 0.409 1.00 0.21 H new ATOM 0 HB2 CYS A 35 1.592 -3.206 1.155 1.00 0.27 H new ATOM 0 HB3 CYS A 35 0.721 -3.792 -0.248 1.00 0.27 H new ATOM 459 N LYS A 36 -1.664 -4.716 1.020 1.00 0.18 N ATOM 460 CA LYS A 36 -2.233 -5.998 1.547 1.00 0.19 C ATOM 461 C LYS A 36 -2.331 -7.044 0.425 1.00 0.23 C ATOM 462 O LYS A 36 -1.996 -6.775 -0.717 1.00 0.28 O ATOM 463 CB LYS A 36 -3.615 -5.609 2.049 1.00 0.21 C ATOM 464 CG LYS A 36 -3.745 -5.967 3.528 1.00 0.29 C ATOM 465 CD LYS A 36 -4.500 -7.287 3.659 1.00 0.36 C ATOM 466 CE LYS A 36 -3.935 -8.085 4.833 1.00 0.50 C ATOM 467 NZ LYS A 36 -5.103 -8.841 5.378 1.00 0.54 N ATOM 0 H LYS A 36 -1.847 -4.546 0.031 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.618 -6.445 2.327 1.00 0.19 H new ATOM 0 HB2 LYS A 36 -3.776 -4.540 1.908 1.00 0.21 H new ATOM 0 HB3 LYS A 36 -4.381 -6.126 1.471 1.00 0.21 H new ATOM 0 HG2 LYS A 36 -2.758 -6.052 3.982 1.00 0.29 H new ATOM 0 HG3 LYS A 36 -4.274 -5.177 4.061 1.00 0.29 H new ATOM 0 HD2 LYS A 36 -5.562 -7.097 3.813 1.00 0.36 H new ATOM 0 HD3 LYS A 36 -4.410 -7.862 2.738 1.00 0.36 H new ATOM 0 HE2 LYS A 36 -3.144 -8.760 4.508 1.00 0.50 H new ATOM 0 HE3 LYS A 36 -3.503 -7.427 5.587 1.00 0.50 H new ATOM 0 HZ1 LYS A 36 -4.797 -9.415 6.189 1.00 0.54 H new ATOM 0 HZ2 LYS A 36 -5.837 -8.171 5.685 1.00 0.54 H new ATOM 0 HZ3 LYS A 36 -5.489 -9.463 4.639 1.00 0.54 H new ATOM 481 N ASN A 37 -2.798 -8.228 0.738 1.00 0.26 N ATOM 482 CA ASN A 37 -2.934 -9.283 -0.314 1.00 0.31 C ATOM 483 C ASN A 37 -3.942 -8.836 -1.386 1.00 0.33 C ATOM 484 O ASN A 37 -3.597 -8.682 -2.547 1.00 0.36 O ATOM 485 CB ASN A 37 -3.435 -10.530 0.421 1.00 0.35 C ATOM 486 CG ASN A 37 -2.238 -11.364 0.879 1.00 0.38 C ATOM 487 OD1 ASN A 37 -1.955 -11.445 2.058 1.00 0.43 O ATOM 488 ND2 ASN A 37 -1.518 -11.990 -0.006 1.00 0.46 N ATOM 0 H ASN A 37 -3.090 -8.509 1.674 1.00 0.26 H new ATOM 0 HA ASN A 37 -1.992 -9.475 -0.827 1.00 0.31 H new ATOM 0 HB2 ASN A 37 -4.041 -10.241 1.280 1.00 0.35 H new ATOM 0 HB3 ASN A 37 -4.074 -11.121 -0.235 1.00 0.35 H new ATOM 0 HD21 ASN A 37 -0.717 -12.548 0.290 1.00 0.46 H new ATOM 0 HD22 ASN A 37 -1.755 -11.923 -0.996 1.00 0.46 H new ATOM 495 N ARG A 38 -5.173 -8.622 -1.002 1.00 0.35 N ATOM 496 CA ARG A 38 -6.207 -8.178 -1.973 1.00 0.39 C ATOM 497 C ARG A 38 -7.114 -7.117 -1.339 1.00 0.40 C ATOM 498 CB ARG A 38 -7.002 -9.442 -2.321 1.00 0.48 C ATOM 499 CG ARG A 38 -7.379 -9.428 -3.808 1.00 0.55 C ATOM 500 CD ARG A 38 -8.644 -8.579 -4.011 1.00 0.55 C ATOM 501 NE ARG A 38 -8.405 -7.773 -5.254 1.00 0.52 N ATOM 502 CZ ARG A 38 -7.264 -7.178 -5.450 1.00 0.47 C ATOM 503 NH1 ARG A 38 -6.801 -6.353 -4.567 1.00 0.42 N ATOM 504 NH2 ARG A 38 -6.590 -7.426 -6.528 1.00 0.53 N ATOM 0 H ARG A 38 -5.506 -8.738 -0.045 1.00 0.35 H new ATOM 0 HA ARG A 38 -5.769 -7.722 -2.861 1.00 0.39 H new ATOM 0 HB2 ARG A 38 -6.409 -10.329 -2.095 1.00 0.48 H new ATOM 0 HB3 ARG A 38 -7.902 -9.496 -1.709 1.00 0.48 H new ATOM 0 HG2 ARG A 38 -6.558 -9.022 -4.398 1.00 0.55 H new ATOM 0 HG3 ARG A 38 -7.551 -10.445 -4.160 1.00 0.55 H new ATOM 0 HD2 ARG A 38 -9.525 -9.211 -4.119 1.00 0.55 H new ATOM 0 HD3 ARG A 38 -8.821 -7.930 -3.153 1.00 0.55 H new ATOM 0 HE ARG A 38 -9.144 -7.691 -5.952 1.00 0.52 H new ATOM 0 HH11 ARG A 38 -7.330 -6.168 -3.715 1.00 0.42 H new ATOM 0 HH12 ARG A 38 -5.907 -5.888 -4.723 1.00 0.42 H new ATOM 0 HH21 ARG A 38 -6.954 -8.084 -7.217 1.00 0.53 H new ATOM 0 HH22 ARG A 38 -5.695 -6.963 -6.688 1.00 0.53 H new