USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 247 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD Single : A 1 THR N :NH3+ 121:sc= 0.799 (180deg=-0.123) USER MOD Single : A 1 THR OG1 : rot 116:sc= 0.465 USER MOD Single : A 6 THR OG1 : rot 42:sc= 0.477 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 79:sc= 0.816 USER MOD Single : A 22 THR OG1 : rot 42:sc= 0.0153 USER MOD Single : A 27 SER OG : rot -35:sc= 0.266 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0404) USER MOD Single : A 34 ASN : amide:sc= 1.46 K(o=1.5,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.582 7.106 -1.043 1.00 0.00 N ATOM 2 CA THR A 1 4.929 7.229 -2.306 1.00 0.00 C ATOM 3 C THR A 1 4.452 5.834 -2.642 1.00 0.00 C ATOM 4 O THR A 1 4.887 4.883 -1.995 1.00 0.00 O ATOM 5 CB THR A 1 5.903 7.751 -3.397 1.00 0.00 C ATOM 6 OG1 THR A 1 6.618 8.895 -2.910 1.00 0.00 O ATOM 7 CG2 THR A 1 5.158 8.135 -4.668 1.00 0.00 C ATOM 0 H3 THR A 1 6.571 7.416 -1.132 1.00 0.00 H new ATOM 0 HA THR A 1 4.109 7.946 -2.264 1.00 0.00 H new ATOM 0 HB THR A 1 6.600 6.946 -3.631 1.00 0.00 H new ATOM 0 HG1 THR A 1 7.574 8.686 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.869 8.496 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.634 7.263 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.437 8.921 -4.444 1.00 0.00 H new ATOM 15 N PHE A 2 3.554 5.715 -3.593 1.00 0.00 N ATOM 16 CA PHE A 2 3.006 4.424 -3.983 1.00 0.00 C ATOM 17 C PHE A 2 4.113 3.377 -4.161 1.00 0.00 C ATOM 18 O PHE A 2 4.872 3.416 -5.127 1.00 0.00 O ATOM 19 CB PHE A 2 2.196 4.608 -5.268 1.00 0.00 C ATOM 20 CG PHE A 2 1.871 3.335 -6.006 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.242 2.280 -5.364 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.192 3.202 -7.348 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.939 1.118 -6.047 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.892 2.041 -8.035 1.00 0.00 C ATOM 25 CZ PHE A 2 1.265 0.999 -7.383 1.00 0.00 C ATOM 0 H PHE A 2 3.180 6.504 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 2 2.353 4.051 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.263 5.115 -5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.750 5.266 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.986 2.367 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.682 4.015 -7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.447 0.303 -5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.148 1.949 -9.080 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.029 0.091 -7.918 1.00 0.00 H new ATOM 35 N CYS A 3 4.210 2.477 -3.180 1.00 0.00 N ATOM 36 CA CYS A 3 5.231 1.428 -3.162 1.00 0.00 C ATOM 37 C CYS A 3 5.199 0.586 -4.440 1.00 0.00 C ATOM 38 O CYS A 3 6.140 0.609 -5.230 1.00 0.00 O ATOM 39 CB CYS A 3 5.023 0.518 -1.945 1.00 0.00 C ATOM 40 SG CYS A 3 4.426 1.381 -0.451 1.00 0.00 S ATOM 0 H CYS A 3 3.583 2.455 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 3 6.204 1.915 -3.101 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.309 -0.263 -2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.966 0.023 -1.712 1.00 0.00 H new ATOM 45 N GLY A 4 4.114 -0.155 -4.633 1.00 0.00 N ATOM 46 CA GLY A 4 3.986 -0.990 -5.817 1.00 0.00 C ATOM 47 C GLY A 4 3.039 -2.160 -5.617 1.00 0.00 C ATOM 48 O GLY A 4 3.323 -3.273 -6.051 1.00 0.00 O ATOM 0 H GLY A 4 3.321 -0.194 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.632 -0.381 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.969 -1.369 -6.096 1.00 0.00 H new ATOM 52 N GLU A 5 1.904 -1.900 -4.972 1.00 0.00 N ATOM 53 CA GLU A 5 0.891 -2.920 -4.711 1.00 0.00 C ATOM 54 C GLU A 5 -0.463 -2.245 -4.600 1.00 0.00 C ATOM 55 O GLU A 5 -0.538 -1.055 -4.288 1.00 0.00 O ATOM 56 CB GLU A 5 1.161 -3.667 -3.397 1.00 0.00 C ATOM 57 CG GLU A 5 2.462 -4.444 -3.356 1.00 0.00 C ATOM 58 CD GLU A 5 2.770 -4.964 -1.971 1.00 0.00 C ATOM 59 OE1 GLU A 5 2.135 -5.942 -1.532 1.00 0.00 O ATOM 60 OE2 GLU A 5 3.635 -4.372 -1.303 1.00 0.00 O ATOM 0 H GLU A 5 1.661 -0.976 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 5 0.917 -3.638 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.161 -2.945 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.337 -4.357 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.406 -5.280 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.277 -3.803 -3.692 1.00 0.00 H new ATOM 67 N THR A 6 -1.526 -2.986 -4.835 1.00 0.00 N ATOM 68 CA THR A 6 -2.853 -2.419 -4.728 1.00 0.00 C ATOM 69 C THR A 6 -3.635 -3.079 -3.603 1.00 0.00 C ATOM 70 O THR A 6 -4.094 -4.216 -3.723 1.00 0.00 O ATOM 71 CB THR A 6 -3.647 -2.538 -6.034 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.673 -3.903 -6.474 1.00 0.00 O ATOM 73 CG2 THR A 6 -3.050 -1.655 -7.121 1.00 0.00 C ATOM 0 H THR A 6 -1.498 -3.971 -5.098 1.00 0.00 H new ATOM 0 HA THR A 6 -2.718 -1.360 -4.510 1.00 0.00 H new ATOM 0 HB THR A 6 -4.666 -2.202 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.822 -4.492 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.633 -1.760 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.068 -0.615 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.020 -1.958 -7.311 1.00 0.00 H new ATOM 81 N CYS A 7 -3.798 -2.341 -2.527 1.00 0.00 N ATOM 82 CA CYS A 7 -4.539 -2.798 -1.360 1.00 0.00 C ATOM 83 C CYS A 7 -6.041 -2.554 -1.561 1.00 0.00 C ATOM 84 O CYS A 7 -6.679 -1.855 -0.779 1.00 0.00 O ATOM 85 CB CYS A 7 -4.005 -2.084 -0.102 1.00 0.00 C ATOM 86 SG CYS A 7 -3.308 -0.437 -0.452 1.00 0.00 S ATOM 0 H CYS A 7 -3.419 -1.399 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.398 -3.871 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.814 -1.983 0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.238 -2.705 0.362 1.00 0.00 H new ATOM 91 N ARG A 8 -6.576 -3.120 -2.647 1.00 0.00 N ATOM 92 CA ARG A 8 -7.987 -2.965 -3.011 1.00 0.00 C ATOM 93 C ARG A 8 -8.924 -3.821 -2.159 1.00 0.00 C ATOM 94 O ARG A 8 -9.397 -3.389 -1.114 1.00 0.00 O ATOM 95 CB ARG A 8 -8.186 -3.308 -4.489 1.00 0.00 C ATOM 96 CG ARG A 8 -8.247 -2.086 -5.380 1.00 0.00 C ATOM 97 CD ARG A 8 -8.504 -2.443 -6.837 1.00 0.00 C ATOM 98 NE ARG A 8 -9.686 -3.299 -7.024 1.00 0.00 N ATOM 99 CZ ARG A 8 -10.949 -2.942 -6.743 1.00 0.00 C ATOM 100 NH1 ARG A 8 -11.227 -1.754 -6.217 1.00 0.00 N ATOM 101 NH2 ARG A 8 -11.943 -3.791 -6.991 1.00 0.00 N ATOM 0 H ARG A 8 -6.044 -3.698 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.245 -1.923 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.370 -3.951 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.108 -3.879 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.035 -1.421 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.309 -1.537 -5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.633 -1.526 -7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.628 -2.951 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.534 -4.236 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.474 -1.095 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.193 -1.501 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.743 -4.707 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.905 -3.526 -6.780 1.00 0.00 H new ATOM 115 N VAL A 9 -9.200 -5.037 -2.626 1.00 0.00 N ATOM 116 CA VAL A 9 -10.097 -5.943 -1.915 1.00 0.00 C ATOM 117 C VAL A 9 -9.298 -6.731 -0.894 1.00 0.00 C ATOM 118 O VAL A 9 -9.778 -7.065 0.187 1.00 0.00 O ATOM 119 CB VAL A 9 -10.808 -6.915 -2.885 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.819 -7.780 -2.147 1.00 0.00 C ATOM 121 CG2 VAL A 9 -11.481 -6.147 -4.014 1.00 0.00 C ATOM 0 H VAL A 9 -8.816 -5.416 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.864 -5.349 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.054 -7.573 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.305 -8.454 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.308 -8.363 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.569 -7.143 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.976 -6.848 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.219 -5.461 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.731 -5.582 -4.567 1.00 0.00 H new ATOM 131 N ILE A 10 -8.048 -6.963 -1.241 1.00 0.00 N ATOM 132 CA ILE A 10 -7.108 -7.641 -0.374 1.00 0.00 C ATOM 133 C ILE A 10 -5.976 -6.664 -0.088 1.00 0.00 C ATOM 134 O ILE A 10 -4.951 -6.664 -0.767 1.00 0.00 O ATOM 135 CB ILE A 10 -6.563 -8.944 -1.006 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.221 -8.731 -2.488 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.577 -10.069 -0.843 1.00 0.00 C ATOM 138 CD1 ILE A 10 -5.611 -9.946 -3.155 1.00 0.00 C ATOM 0 H ILE A 10 -7.654 -6.684 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.609 -7.942 0.546 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.646 -9.223 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.128 -8.451 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.528 -7.894 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.183 -10.981 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.766 -10.238 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.508 -9.794 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.397 -9.719 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.686 -10.215 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.311 -10.780 -3.101 1.00 0.00 H new ATOM 150 N PRO A 11 -6.190 -5.752 0.874 1.00 0.00 N ATOM 151 CA PRO A 11 -5.223 -4.711 1.204 1.00 0.00 C ATOM 152 C PRO A 11 -3.949 -5.214 1.861 1.00 0.00 C ATOM 153 O PRO A 11 -3.422 -6.269 1.518 1.00 0.00 O ATOM 154 CB PRO A 11 -5.982 -3.791 2.171 1.00 0.00 C ATOM 155 CG PRO A 11 -7.408 -4.151 2.016 1.00 0.00 C ATOM 156 CD PRO A 11 -7.417 -5.611 1.673 1.00 0.00 C ATOM 0 HA PRO A 11 -4.876 -4.225 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.649 -3.939 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.813 -2.742 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.963 -3.960 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.879 -3.560 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.397 -6.238 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.306 -5.890 1.107 1.00 0.00 H new ATOM 164 N VAL A 12 -3.467 -4.403 2.799 1.00 0.00 N ATOM 165 CA VAL A 12 -2.248 -4.651 3.553 1.00 0.00 C ATOM 166 C VAL A 12 -1.105 -5.168 2.696 1.00 0.00 C ATOM 167 O VAL A 12 -0.760 -6.349 2.727 1.00 0.00 O ATOM 168 CB VAL A 12 -2.441 -5.549 4.806 1.00 0.00 C ATOM 169 CG1 VAL A 12 -3.133 -4.771 5.913 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.219 -6.824 4.497 1.00 0.00 C ATOM 0 H VAL A 12 -3.929 -3.532 3.060 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.970 -3.662 3.918 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.447 -5.849 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.261 -5.414 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.526 -3.908 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.109 -4.433 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.325 -7.415 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.206 -6.564 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.682 -7.405 3.748 1.00 0.00 H new ATOM 180 N CYS A 13 -0.532 -4.238 1.949 1.00 0.00 N ATOM 181 CA CYS A 13 0.597 -4.499 1.058 1.00 0.00 C ATOM 182 C CYS A 13 1.667 -5.311 1.792 1.00 0.00 C ATOM 183 O CYS A 13 2.392 -4.780 2.631 1.00 0.00 O ATOM 184 CB CYS A 13 1.164 -3.152 0.628 1.00 0.00 C ATOM 185 SG CYS A 13 -0.101 -1.835 0.620 1.00 0.00 S ATOM 0 H CYS A 13 -0.839 -3.265 1.941 1.00 0.00 H new ATOM 0 HA CYS A 13 0.275 -5.072 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.974 -2.870 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.595 -3.244 -0.369 1.00 0.00 H new ATOM 190 N THR A 14 1.705 -6.605 1.515 1.00 0.00 N ATOM 191 CA THR A 14 2.621 -7.522 2.184 1.00 0.00 C ATOM 192 C THR A 14 4.054 -7.489 1.631 1.00 0.00 C ATOM 193 O THR A 14 5.003 -7.778 2.360 1.00 0.00 O ATOM 194 CB THR A 14 2.073 -8.959 2.098 1.00 0.00 C ATOM 195 OG1 THR A 14 0.677 -8.961 2.425 1.00 0.00 O ATOM 196 CG2 THR A 14 2.814 -9.891 3.048 1.00 0.00 C ATOM 0 H THR A 14 1.104 -7.051 0.822 1.00 0.00 H new ATOM 0 HA THR A 14 2.681 -7.187 3.220 1.00 0.00 H new ATOM 0 HB THR A 14 2.220 -9.318 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.329 -9.875 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.404 -10.897 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.873 -9.908 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.696 -9.536 4.072 1.00 0.00 H new ATOM 204 N TYR A 15 4.224 -7.146 0.362 1.00 0.00 N ATOM 205 CA TYR A 15 5.559 -7.109 -0.228 1.00 0.00 C ATOM 206 C TYR A 15 6.329 -5.901 0.281 1.00 0.00 C ATOM 207 O TYR A 15 7.463 -6.007 0.749 1.00 0.00 O ATOM 208 CB TYR A 15 5.462 -7.078 -1.758 1.00 0.00 C ATOM 209 CG TYR A 15 6.798 -6.986 -2.463 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.817 -7.889 -2.189 1.00 0.00 C ATOM 211 CD2 TYR A 15 7.035 -5.994 -3.406 1.00 0.00 C ATOM 212 CE1 TYR A 15 9.037 -7.805 -2.836 1.00 0.00 C ATOM 213 CE2 TYR A 15 8.250 -5.904 -4.057 1.00 0.00 C ATOM 214 CZ TYR A 15 9.247 -6.811 -3.768 1.00 0.00 C ATOM 215 OH TYR A 15 10.459 -6.723 -4.414 1.00 0.00 O ATOM 0 H TYR A 15 3.467 -6.892 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 15 6.097 -8.010 0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.947 -7.977 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.848 -6.228 -2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.655 -8.669 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.256 -5.281 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.820 -8.514 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.418 -5.127 -4.788 1.00 0.00 H new ATOM 0 HH TYR A 15 10.442 -5.969 -5.040 1.00 0.00 H new ATOM 225 N SER A 16 5.690 -4.758 0.188 1.00 0.00 N ATOM 226 CA SER A 16 6.270 -3.501 0.625 1.00 0.00 C ATOM 227 C SER A 16 6.059 -3.293 2.122 1.00 0.00 C ATOM 228 O SER A 16 6.371 -2.231 2.669 1.00 0.00 O ATOM 229 CB SER A 16 5.644 -2.370 -0.182 1.00 0.00 C ATOM 230 OG SER A 16 5.764 -2.617 -1.572 1.00 0.00 O ATOM 0 H SER A 16 4.748 -4.669 -0.194 1.00 0.00 H new ATOM 0 HA SER A 16 7.346 -3.515 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.592 -2.267 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.130 -1.427 0.068 1.00 0.00 H new ATOM 0 HG SER A 16 5.076 -3.257 -1.851 1.00 0.00 H new ATOM 236 N ALA A 17 5.537 -4.320 2.784 1.00 0.00 N ATOM 237 CA ALA A 17 5.285 -4.264 4.218 1.00 0.00 C ATOM 238 C ALA A 17 6.581 -4.103 5.007 1.00 0.00 C ATOM 239 O ALA A 17 6.571 -3.564 6.110 1.00 0.00 O ATOM 240 CB ALA A 17 4.544 -5.506 4.686 1.00 0.00 C ATOM 0 H ALA A 17 5.279 -5.205 2.347 1.00 0.00 H new ATOM 0 HA ALA A 17 4.661 -3.390 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.367 -5.441 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.589 -5.578 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.143 -6.390 4.470 1.00 0.00 H new ATOM 246 N ALA A 18 7.691 -4.577 4.436 1.00 0.00 N ATOM 247 CA ALA A 18 9.002 -4.484 5.088 1.00 0.00 C ATOM 248 C ALA A 18 9.318 -3.040 5.467 1.00 0.00 C ATOM 249 O ALA A 18 9.783 -2.759 6.568 1.00 0.00 O ATOM 250 CB ALA A 18 10.084 -5.046 4.177 1.00 0.00 C ATOM 0 H ALA A 18 7.709 -5.030 3.522 1.00 0.00 H new ATOM 0 HA ALA A 18 8.974 -5.076 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.052 -4.971 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.868 -6.092 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.108 -4.478 3.247 1.00 0.00 H new ATOM 256 N LEU A 19 9.027 -2.130 4.549 1.00 0.00 N ATOM 257 CA LEU A 19 9.233 -0.701 4.770 1.00 0.00 C ATOM 258 C LEU A 19 8.168 -0.101 5.658 1.00 0.00 C ATOM 259 O LEU A 19 8.294 1.036 6.102 1.00 0.00 O ATOM 260 CB LEU A 19 9.250 0.054 3.445 1.00 0.00 C ATOM 261 CG LEU A 19 10.630 0.319 2.853 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.516 -0.917 2.929 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.509 0.793 1.416 1.00 0.00 C ATOM 0 H LEU A 19 8.643 -2.357 3.632 1.00 0.00 H new ATOM 0 HA LEU A 19 10.197 -0.601 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.666 -0.511 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.746 1.010 3.586 1.00 0.00 H new ATOM 0 HG LEU A 19 11.100 1.104 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.492 -0.692 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.639 -1.213 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.053 -1.732 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.503 0.977 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.010 0.028 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.927 1.714 1.385 1.00 0.00 H new ATOM 275 N GLY A 20 7.113 -0.848 5.880 1.00 0.00 N ATOM 276 CA GLY A 20 6.019 -0.358 6.678 1.00 0.00 C ATOM 277 C GLY A 20 5.084 0.454 5.822 1.00 0.00 C ATOM 278 O GLY A 20 4.495 1.434 6.276 1.00 0.00 O ATOM 0 H GLY A 20 6.991 -1.794 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.482 -1.194 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.400 0.253 7.497 1.00 0.00 H new ATOM 282 N CYS A 21 4.967 0.030 4.565 1.00 0.00 N ATOM 283 CA CYS A 21 4.112 0.689 3.593 1.00 0.00 C ATOM 284 C CYS A 21 2.675 0.756 4.088 1.00 0.00 C ATOM 285 O CYS A 21 1.977 -0.258 4.159 1.00 0.00 O ATOM 286 CB CYS A 21 4.186 -0.047 2.252 1.00 0.00 C ATOM 287 SG CYS A 21 5.475 0.578 1.105 1.00 0.00 S ATOM 0 H CYS A 21 5.464 -0.781 4.197 1.00 0.00 H new ATOM 0 HA CYS A 21 4.465 1.711 3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.370 -1.104 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.216 0.024 1.760 1.00 0.00 H new ATOM 292 N THR A 22 2.242 1.958 4.428 1.00 0.00 N ATOM 293 CA THR A 22 0.906 2.172 4.913 1.00 0.00 C ATOM 294 C THR A 22 -0.031 2.525 3.776 1.00 0.00 C ATOM 295 O THR A 22 0.235 3.414 2.969 1.00 0.00 O ATOM 296 CB THR A 22 0.851 3.271 5.982 1.00 0.00 C ATOM 297 OG1 THR A 22 1.611 4.411 5.558 1.00 0.00 O ATOM 298 CG2 THR A 22 1.385 2.764 7.313 1.00 0.00 C ATOM 0 H THR A 22 2.810 2.804 4.373 1.00 0.00 H new ATOM 0 HA THR A 22 0.584 1.236 5.370 1.00 0.00 H new ATOM 0 HB THR A 22 -0.191 3.561 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.436 4.587 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.335 3.563 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.783 1.920 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.421 2.446 7.192 1.00 0.00 H new ATOM 306 N CYS A 23 -1.125 1.817 3.728 1.00 0.00 N ATOM 307 CA CYS A 23 -2.137 2.032 2.714 1.00 0.00 C ATOM 308 C CYS A 23 -3.181 3.025 3.234 1.00 0.00 C ATOM 309 O CYS A 23 -2.851 3.996 3.911 1.00 0.00 O ATOM 310 CB CYS A 23 -2.769 0.679 2.333 1.00 0.00 C ATOM 311 SG CYS A 23 -4.040 0.744 1.020 1.00 0.00 S ATOM 0 H CYS A 23 -1.347 1.072 4.389 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.692 2.460 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.975 0.005 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.216 0.243 3.226 1.00 0.00 H new ATOM 316 N ASP A 24 -4.428 2.746 2.930 1.00 0.00 N ATOM 317 CA ASP A 24 -5.555 3.557 3.356 1.00 0.00 C ATOM 318 C ASP A 24 -6.656 2.618 3.832 1.00 0.00 C ATOM 319 O ASP A 24 -7.108 2.703 4.973 1.00 0.00 O ATOM 320 CB ASP A 24 -6.033 4.438 2.191 1.00 0.00 C ATOM 321 CG ASP A 24 -7.273 5.246 2.521 1.00 0.00 C ATOM 322 OD1 ASP A 24 -8.391 4.747 2.302 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.128 6.376 3.033 1.00 0.00 O ATOM 0 H ASP A 24 -4.696 1.936 2.371 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.270 4.221 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.230 5.118 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.239 3.806 1.327 1.00 0.00 H new ATOM 328 N ASP A 25 -7.020 1.697 2.939 1.00 0.00 N ATOM 329 CA ASP A 25 -8.028 0.655 3.177 1.00 0.00 C ATOM 330 C ASP A 25 -9.357 1.202 3.628 1.00 0.00 C ATOM 331 O ASP A 25 -9.560 1.625 4.769 1.00 0.00 O ATOM 332 CB ASP A 25 -7.521 -0.425 4.139 1.00 0.00 C ATOM 333 CG ASP A 25 -8.449 -1.628 4.220 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.463 -1.662 3.483 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.143 -2.554 5.000 1.00 0.00 O ATOM 0 H ASP A 25 -6.613 1.651 2.005 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.199 0.189 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.533 -0.755 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.406 0.006 5.133 1.00 0.00 H new ATOM 340 N ARG A 26 -10.258 1.151 2.676 1.00 0.00 N ATOM 341 CA ARG A 26 -11.619 1.598 2.822 1.00 0.00 C ATOM 342 C ARG A 26 -12.384 1.102 1.622 1.00 0.00 C ATOM 343 O ARG A 26 -12.974 1.881 0.874 1.00 0.00 O ATOM 344 CB ARG A 26 -11.670 3.116 2.914 1.00 0.00 C ATOM 345 CG ARG A 26 -11.647 3.653 4.338 1.00 0.00 C ATOM 346 CD ARG A 26 -11.395 5.151 4.375 1.00 0.00 C ATOM 347 NE ARG A 26 -9.970 5.470 4.427 1.00 0.00 N ATOM 348 CZ ARG A 26 -9.195 5.297 5.500 1.00 0.00 C ATOM 349 NH1 ARG A 26 -9.693 4.771 6.616 1.00 0.00 N ATOM 350 NH2 ARG A 26 -7.915 5.637 5.448 1.00 0.00 N ATOM 0 H ARG A 26 -10.054 0.784 1.746 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.061 1.206 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.824 3.531 2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.574 3.469 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.597 3.433 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.871 3.140 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.837 5.614 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.894 5.580 5.244 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.538 5.851 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.674 4.496 6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.093 4.642 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.526 6.029 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.319 5.507 6.265 1.00 0.00 H new ATOM 364 N SER A 27 -12.271 -0.212 1.419 1.00 0.00 N ATOM 365 CA SER A 27 -12.846 -0.910 0.273 1.00 0.00 C ATOM 366 C SER A 27 -11.879 -0.755 -0.884 1.00 0.00 C ATOM 367 O SER A 27 -12.057 -1.342 -1.957 1.00 0.00 O ATOM 368 CB SER A 27 -14.249 -0.397 -0.095 1.00 0.00 C ATOM 369 OG SER A 27 -14.804 -1.147 -1.161 1.00 0.00 O ATOM 0 H SER A 27 -11.769 -0.829 2.058 1.00 0.00 H new ATOM 0 HA SER A 27 -12.984 -1.962 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.902 -0.459 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.193 0.654 -0.377 1.00 0.00 H new ATOM 0 HG SER A 27 -14.093 -1.406 -1.784 1.00 0.00 H new ATOM 375 N ASP A 28 -10.840 0.033 -0.616 1.00 0.00 N ATOM 376 CA ASP A 28 -9.780 0.308 -1.560 1.00 0.00 C ATOM 377 C ASP A 28 -8.779 1.261 -0.910 1.00 0.00 C ATOM 378 O ASP A 28 -8.927 1.603 0.263 1.00 0.00 O ATOM 379 CB ASP A 28 -10.357 0.918 -2.845 1.00 0.00 C ATOM 380 CG ASP A 28 -9.511 0.656 -4.083 1.00 0.00 C ATOM 381 OD1 ASP A 28 -8.279 0.833 -4.028 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.088 0.268 -5.122 1.00 0.00 O ATOM 0 H ASP A 28 -10.717 0.502 0.281 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.274 -0.619 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.358 0.518 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.463 1.994 -2.710 1.00 0.00 H new ATOM 387 N GLY A 29 -7.778 1.687 -1.659 1.00 0.00 N ATOM 388 CA GLY A 29 -6.783 2.598 -1.135 1.00 0.00 C ATOM 389 C GLY A 29 -5.611 2.747 -2.061 1.00 0.00 C ATOM 390 O GLY A 29 -5.782 2.909 -3.268 1.00 0.00 O ATOM 0 H GLY A 29 -7.635 1.415 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.238 3.574 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.436 2.237 -0.167 1.00 0.00 H new ATOM 394 N LEU A 30 -4.416 2.700 -1.486 1.00 0.00 N ATOM 395 CA LEU A 30 -3.193 2.848 -2.246 1.00 0.00 C ATOM 396 C LEU A 30 -1.988 2.749 -1.300 1.00 0.00 C ATOM 397 O LEU A 30 -1.879 3.521 -0.344 1.00 0.00 O ATOM 398 CB LEU A 30 -3.244 4.210 -2.947 1.00 0.00 C ATOM 399 CG LEU A 30 -2.337 4.400 -4.170 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.877 4.424 -3.777 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.592 3.307 -5.197 1.00 0.00 C ATOM 0 H LEU A 30 -4.273 2.559 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.091 2.060 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.273 4.393 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.991 4.977 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.578 5.365 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.263 4.560 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.700 5.247 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.614 3.482 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.940 3.457 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.386 2.334 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.633 3.346 -5.519 1.00 0.00 H new ATOM 413 N CYS A 31 -1.100 1.793 -1.565 1.00 0.00 N ATOM 414 CA CYS A 31 0.090 1.572 -0.735 1.00 0.00 C ATOM 415 C CYS A 31 1.027 2.773 -0.752 1.00 0.00 C ATOM 416 O CYS A 31 1.302 3.338 -1.810 1.00 0.00 O ATOM 417 CB CYS A 31 0.853 0.346 -1.232 1.00 0.00 C ATOM 418 SG CYS A 31 -0.139 -1.176 -1.293 1.00 0.00 S ATOM 0 H CYS A 31 -1.181 1.152 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.254 1.418 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.241 0.553 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.713 0.180 -0.583 1.00 0.00 H new ATOM 423 N LYS A 32 1.527 3.157 0.413 1.00 0.00 N ATOM 424 CA LYS A 32 2.439 4.283 0.507 1.00 0.00 C ATOM 425 C LYS A 32 3.699 3.884 1.269 1.00 0.00 C ATOM 426 O LYS A 32 3.634 3.189 2.273 1.00 0.00 O ATOM 427 CB LYS A 32 1.732 5.470 1.151 1.00 0.00 C ATOM 428 CG LYS A 32 2.116 6.804 0.536 1.00 0.00 C ATOM 429 CD LYS A 32 1.880 6.778 -0.973 1.00 0.00 C ATOM 430 CE LYS A 32 0.464 6.347 -1.319 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.566 7.216 -0.682 1.00 0.00 N ATOM 0 H LYS A 32 1.316 2.706 1.303 1.00 0.00 H new ATOM 0 HA LYS A 32 2.749 4.584 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.654 5.334 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.964 5.488 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.530 7.604 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.164 7.020 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.069 7.768 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.591 6.096 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.335 6.368 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.313 5.316 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.509 6.947 -1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.529 7.099 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.380 8.210 -0.924 1.00 0.00 H new ATOM 445 N ARG A 33 4.837 4.274 0.719 1.00 0.00 N ATOM 446 CA ARG A 33 6.152 3.917 1.251 1.00 0.00 C ATOM 447 C ARG A 33 6.548 4.764 2.473 1.00 0.00 C ATOM 448 O ARG A 33 5.706 5.400 3.094 1.00 0.00 O ATOM 449 CB ARG A 33 7.150 4.108 0.096 1.00 0.00 C ATOM 450 CG ARG A 33 8.488 3.409 0.246 1.00 0.00 C ATOM 451 CD ARG A 33 9.204 3.317 -1.095 1.00 0.00 C ATOM 452 NE ARG A 33 9.308 4.615 -1.774 1.00 0.00 N ATOM 453 CZ ARG A 33 9.732 4.763 -3.031 1.00 0.00 C ATOM 454 NH1 ARG A 33 10.064 3.697 -3.754 1.00 0.00 N ATOM 455 NH2 ARG A 33 9.818 5.973 -3.572 1.00 0.00 N ATOM 0 H ARG A 33 4.880 4.854 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 33 6.144 2.888 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.681 3.758 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.333 5.176 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.109 3.952 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.337 2.409 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.204 2.911 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.672 2.617 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 33 9.041 5.452 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.995 2.764 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.388 3.813 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.559 6.795 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.143 6.080 -4.533 1.00 0.00 H new ATOM 469 N ASN A 34 7.844 4.764 2.789 1.00 0.00 N ATOM 470 CA ASN A 34 8.415 5.520 3.905 1.00 0.00 C ATOM 471 C ASN A 34 9.811 5.953 3.505 1.00 0.00 C ATOM 472 O ASN A 34 10.405 5.341 2.616 1.00 0.00 O ATOM 473 CB ASN A 34 8.480 4.693 5.175 1.00 0.00 C ATOM 474 CG ASN A 34 7.130 4.465 5.813 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.409 5.407 6.132 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.795 3.205 6.020 1.00 0.00 N ATOM 0 H ASN A 34 8.539 4.229 2.267 1.00 0.00 H new ATOM 0 HA ASN A 34 7.779 6.380 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.934 3.728 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.132 5.192 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.904 2.980 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.427 2.456 5.738 1.00 0.00 H new ATOM 483 N GLY A 35 10.304 7.046 4.082 1.00 0.00 N ATOM 484 CA GLY A 35 11.603 7.580 3.680 1.00 0.00 C ATOM 485 C GLY A 35 11.396 8.410 2.431 1.00 0.00 C ATOM 486 O GLY A 35 11.856 9.540 2.310 1.00 0.00 O ATOM 0 H GLY A 35 9.833 7.572 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.029 8.189 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.306 6.770 3.488 1.00 0.00 H new ATOM 490 N ASP A 36 10.595 7.821 1.565 1.00 0.00 N ATOM 491 CA ASP A 36 10.132 8.398 0.324 1.00 0.00 C ATOM 492 C ASP A 36 8.705 7.870 0.139 1.00 0.00 C ATOM 493 O ASP A 36 8.415 7.117 -0.793 1.00 0.00 O ATOM 494 CB ASP A 36 11.035 7.989 -0.852 1.00 0.00 C ATOM 495 CG ASP A 36 10.677 8.681 -2.162 1.00 0.00 C ATOM 496 OD1 ASP A 36 9.574 8.425 -2.701 1.00 0.00 O ATOM 497 OD2 ASP A 36 11.508 9.456 -2.667 1.00 0.00 O ATOM 0 H ASP A 36 10.233 6.880 1.718 1.00 0.00 H new ATOM 0 HA ASP A 36 10.157 9.487 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.071 8.217 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.971 6.910 -0.991 1.00 0.00 H new ATOM 502 N PRO A 37 7.803 8.173 1.109 1.00 0.00 N ATOM 503 CA PRO A 37 6.412 7.678 1.111 1.00 0.00 C ATOM 504 C PRO A 37 5.649 8.070 -0.140 1.00 0.00 C ATOM 505 O PRO A 37 5.144 9.184 -0.278 1.00 0.00 O ATOM 506 CB PRO A 37 5.846 8.304 2.397 1.00 0.00 C ATOM 507 CG PRO A 37 7.058 8.313 3.247 1.00 0.00 C ATOM 508 CD PRO A 37 8.063 8.944 2.342 1.00 0.00 C ATOM 0 HA PRO A 37 6.335 6.591 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.448 9.305 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.041 7.709 2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.912 8.889 4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.353 7.308 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.895 10.013 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.085 8.824 2.703 1.00 0.00 H new TER 516 PRO A 37