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+ 123:sc= 1.33 (180deg=-0.54) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 6 THR OG1 : rot 46:sc= 0.535 USER MOD Single : A 14 THR OG1 : rot 20:sc= 0.858 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 87:sc= 0.739 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000253 USER MOD Single : A 27 SER OG : rot -43:sc= 0.411 USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -0.0481 (180deg=-1.13) USER MOD Single : A 34 ASN : amide:sc= 0.823 K(o=0.82,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.326 6.934 -1.793 1.00 0.00 N ATOM 2 CA THR A 1 3.452 7.185 -2.909 1.00 0.00 C ATOM 3 C THR A 1 3.358 5.954 -3.781 1.00 0.00 C ATOM 4 O THR A 1 3.723 5.976 -4.952 1.00 0.00 O ATOM 5 CB THR A 1 3.928 8.372 -3.761 1.00 0.00 C ATOM 6 OG1 THR A 1 4.463 9.401 -2.919 1.00 0.00 O ATOM 7 CG2 THR A 1 2.785 8.944 -4.588 1.00 0.00 C ATOM 0 H3 THR A 1 5.094 7.635 -1.789 1.00 0.00 H new ATOM 0 HA THR A 1 2.472 7.433 -2.501 1.00 0.00 H new ATOM 0 HB THR A 1 4.703 8.010 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.765 10.152 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.149 9.783 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.394 8.172 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 1 1.992 9.287 -3.924 1.00 0.00 H new ATOM 15 N PHE A 2 2.855 4.895 -3.167 1.00 0.00 N ATOM 16 CA PHE A 2 2.652 3.613 -3.805 1.00 0.00 C ATOM 17 C PHE A 2 3.932 2.774 -3.825 1.00 0.00 C ATOM 18 O PHE A 2 4.799 2.946 -4.676 1.00 0.00 O ATOM 19 CB PHE A 2 2.060 3.789 -5.213 1.00 0.00 C ATOM 20 CG PHE A 2 1.986 2.535 -6.041 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.289 1.427 -5.592 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.602 2.480 -7.281 1.00 0.00 C ATOM 23 CE1 PHE A 2 1.212 0.285 -6.363 1.00 0.00 C ATOM 24 CE2 PHE A 2 2.526 1.340 -8.057 1.00 0.00 C ATOM 25 CZ PHE A 2 1.831 0.241 -7.598 1.00 0.00 C ATOM 0 H PHE A 2 2.571 4.908 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 2 1.928 3.059 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.056 4.202 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.657 4.525 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.801 1.456 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.148 3.338 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.668 -0.575 -6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.010 1.309 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.770 -0.652 -8.202 1.00 0.00 H new ATOM 35 N CYS A 3 4.031 1.875 -2.851 1.00 0.00 N ATOM 36 CA CYS A 3 5.188 0.984 -2.713 1.00 0.00 C ATOM 37 C CYS A 3 5.336 0.076 -3.933 1.00 0.00 C ATOM 38 O CYS A 3 6.343 0.121 -4.637 1.00 0.00 O ATOM 39 CB CYS A 3 5.044 0.078 -1.485 1.00 0.00 C ATOM 40 SG CYS A 3 4.057 0.751 -0.110 1.00 0.00 S ATOM 0 H CYS A 3 3.317 1.740 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 3 6.062 1.627 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.595 -0.863 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.041 -0.155 -1.111 1.00 0.00 H new ATOM 45 N GLY A 4 4.326 -0.759 -4.153 1.00 0.00 N ATOM 46 CA GLY A 4 4.337 -1.693 -5.264 1.00 0.00 C ATOM 47 C GLY A 4 3.042 -2.472 -5.327 1.00 0.00 C ATOM 48 O GLY A 4 2.436 -2.609 -6.387 1.00 0.00 O ATOM 0 H GLY A 4 3.489 -0.805 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.486 -1.151 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.175 -2.381 -5.157 1.00 0.00 H new ATOM 52 N GLU A 5 2.603 -2.957 -4.174 1.00 0.00 N ATOM 53 CA GLU A 5 1.351 -3.693 -4.078 1.00 0.00 C ATOM 54 C GLU A 5 0.205 -2.702 -3.933 1.00 0.00 C ATOM 55 O GLU A 5 0.433 -1.517 -3.681 1.00 0.00 O ATOM 56 CB GLU A 5 1.361 -4.629 -2.870 1.00 0.00 C ATOM 57 CG GLU A 5 2.450 -5.686 -2.906 1.00 0.00 C ATOM 58 CD GLU A 5 2.743 -6.226 -1.525 1.00 0.00 C ATOM 59 OE1 GLU A 5 3.073 -5.415 -0.640 1.00 0.00 O ATOM 60 OE2 GLU A 5 2.654 -7.449 -1.310 1.00 0.00 O ATOM 0 H GLU A 5 3.098 -2.853 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 5 1.226 -4.292 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.479 -4.033 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.393 -5.124 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.144 -6.503 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.358 -5.260 -3.332 1.00 0.00 H new ATOM 67 N THR A 6 -1.022 -3.174 -4.067 1.00 0.00 N ATOM 68 CA THR A 6 -2.169 -2.300 -3.921 1.00 0.00 C ATOM 69 C THR A 6 -3.161 -2.864 -2.916 1.00 0.00 C ATOM 70 O THR A 6 -3.822 -3.869 -3.178 1.00 0.00 O ATOM 71 CB THR A 6 -2.897 -2.073 -5.257 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.249 -3.331 -5.849 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.040 -1.271 -6.226 1.00 0.00 C ATOM 0 H THR A 6 -1.247 -4.147 -4.274 1.00 0.00 H new ATOM 0 HA THR A 6 -1.783 -1.345 -3.565 1.00 0.00 H new ATOM 0 HB THR A 6 -3.803 -1.503 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.650 -3.912 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.583 -1.128 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.808 -0.300 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.113 -1.810 -6.424 1.00 0.00 H new ATOM 81 N CYS A 7 -3.282 -2.199 -1.779 1.00 0.00 N ATOM 82 CA CYS A 7 -4.215 -2.621 -0.747 1.00 0.00 C ATOM 83 C CYS A 7 -5.614 -2.075 -1.053 1.00 0.00 C ATOM 84 O CYS A 7 -6.212 -1.377 -0.242 1.00 0.00 O ATOM 85 CB CYS A 7 -3.735 -2.188 0.660 1.00 0.00 C ATOM 86 SG CYS A 7 -3.008 -0.517 0.737 1.00 0.00 S ATOM 0 H CYS A 7 -2.745 -1.363 -1.547 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.261 -3.710 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.580 -2.234 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.997 -2.907 1.014 1.00 0.00 H new ATOM 91 N ARG A 8 -6.114 -2.386 -2.251 1.00 0.00 N ATOM 92 CA ARG A 8 -7.429 -1.922 -2.686 1.00 0.00 C ATOM 93 C ARG A 8 -8.521 -2.922 -2.312 1.00 0.00 C ATOM 94 O ARG A 8 -9.138 -2.814 -1.261 1.00 0.00 O ATOM 95 CB ARG A 8 -7.439 -1.667 -4.196 1.00 0.00 C ATOM 96 CG ARG A 8 -7.994 -0.303 -4.567 1.00 0.00 C ATOM 97 CD ARG A 8 -7.868 -0.009 -6.055 1.00 0.00 C ATOM 98 NE ARG A 8 -8.442 -1.063 -6.908 1.00 0.00 N ATOM 99 CZ ARG A 8 -9.745 -1.373 -6.972 1.00 0.00 C ATOM 100 NH1 ARG A 8 -10.634 -0.763 -6.197 1.00 0.00 N ATOM 101 NH2 ARG A 8 -10.156 -2.316 -7.817 1.00 0.00 N ATOM 0 H ARG A 8 -5.624 -2.959 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.637 -0.984 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.423 -1.756 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.033 -2.439 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.043 -0.250 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.468 0.466 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.364 0.937 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.815 0.118 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.801 -1.597 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.330 -0.045 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.621 -1.012 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.481 -2.798 -8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.146 -2.557 -7.871 1.00 0.00 H new ATOM 115 N VAL A 9 -8.748 -3.906 -3.180 1.00 0.00 N ATOM 116 CA VAL A 9 -9.766 -4.924 -2.925 1.00 0.00 C ATOM 117 C VAL A 9 -9.164 -6.086 -2.148 1.00 0.00 C ATOM 118 O VAL A 9 -9.851 -6.781 -1.404 1.00 0.00 O ATOM 119 CB VAL A 9 -10.435 -5.428 -4.224 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.363 -4.363 -4.787 1.00 0.00 C ATOM 121 CG2 VAL A 9 -9.399 -5.823 -5.262 1.00 0.00 C ATOM 0 H VAL A 9 -8.245 -4.020 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.548 -4.457 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.019 -6.315 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.827 -4.732 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.137 -4.131 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.791 -3.462 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.902 -6.173 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.779 -4.960 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.771 -6.620 -4.864 1.00 0.00 H new ATOM 131 N ILE A 10 -7.857 -6.247 -2.293 1.00 0.00 N ATOM 132 CA ILE A 10 -7.111 -7.270 -1.574 1.00 0.00 C ATOM 133 C ILE A 10 -5.944 -6.579 -0.867 1.00 0.00 C ATOM 134 O ILE A 10 -4.796 -6.651 -1.297 1.00 0.00 O ATOM 135 CB ILE A 10 -6.603 -8.434 -2.486 1.00 0.00 C ATOM 136 CG1 ILE A 10 -5.675 -7.953 -3.623 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.783 -9.211 -3.056 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.370 -7.243 -4.767 1.00 0.00 C ATOM 0 H ILE A 10 -7.284 -5.673 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.781 -7.747 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.004 -9.089 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.927 -7.282 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.140 -8.815 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.415 -10.018 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.372 -9.629 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.408 -8.542 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.632 -6.946 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.097 -7.914 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.881 -6.358 -4.389 1.00 0.00 H new ATOM 150 N PRO A 11 -6.245 -5.815 0.198 1.00 0.00 N ATOM 151 CA PRO A 11 -5.240 -5.039 0.921 1.00 0.00 C ATOM 152 C PRO A 11 -4.200 -5.849 1.670 1.00 0.00 C ATOM 153 O PRO A 11 -3.915 -7.002 1.352 1.00 0.00 O ATOM 154 CB PRO A 11 -6.060 -4.214 1.915 1.00 0.00 C ATOM 155 CG PRO A 11 -7.429 -4.216 1.360 1.00 0.00 C ATOM 156 CD PRO A 11 -7.591 -5.574 0.748 1.00 0.00 C ATOM 0 HA PRO A 11 -4.650 -4.462 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.035 -4.655 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.670 -3.200 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.172 -4.042 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.556 -3.429 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.872 -6.325 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.358 -5.585 -0.026 1.00 0.00 H new ATOM 164 N VAL A 12 -3.637 -5.189 2.672 1.00 0.00 N ATOM 165 CA VAL A 12 -2.605 -5.748 3.516 1.00 0.00 C ATOM 166 C VAL A 12 -1.373 -6.080 2.697 1.00 0.00 C ATOM 167 O VAL A 12 -1.052 -7.246 2.476 1.00 0.00 O ATOM 168 CB VAL A 12 -3.057 -7.005 4.292 1.00 0.00 C ATOM 169 CG1 VAL A 12 -2.070 -7.335 5.405 1.00 0.00 C ATOM 170 CG2 VAL A 12 -4.462 -6.833 4.855 1.00 0.00 C ATOM 0 H VAL A 12 -3.893 -4.234 2.921 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.375 -4.980 4.255 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.078 -7.839 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.407 -8.223 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.086 -7.522 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.010 -6.496 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.750 -7.735 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.480 -5.981 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.163 -6.660 4.038 1.00 0.00 H new ATOM 180 N CYS A 13 -0.702 -5.036 2.246 1.00 0.00 N ATOM 181 CA CYS A 13 0.503 -5.174 1.442 1.00 0.00 C ATOM 182 C CYS A 13 1.496 -6.088 2.161 1.00 0.00 C ATOM 183 O CYS A 13 2.006 -5.734 3.218 1.00 0.00 O ATOM 184 CB CYS A 13 1.125 -3.796 1.246 1.00 0.00 C ATOM 185 SG CYS A 13 -0.097 -2.446 1.275 1.00 0.00 S ATOM 0 H CYS A 13 -0.975 -4.070 2.425 1.00 0.00 H new ATOM 0 HA CYS A 13 0.255 -5.608 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.865 -3.624 2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.656 -3.776 0.294 1.00 0.00 H new ATOM 190 N THR A 14 1.723 -7.269 1.614 1.00 0.00 N ATOM 191 CA THR A 14 2.610 -8.244 2.239 1.00 0.00 C ATOM 192 C THR A 14 4.098 -7.948 2.022 1.00 0.00 C ATOM 193 O THR A 14 4.905 -8.103 2.940 1.00 0.00 O ATOM 194 CB THR A 14 2.296 -9.664 1.727 1.00 0.00 C ATOM 195 OG1 THR A 14 2.093 -9.653 0.304 1.00 0.00 O ATOM 196 CG2 THR A 14 1.059 -10.223 2.414 1.00 0.00 C ATOM 0 H THR A 14 1.306 -7.580 0.737 1.00 0.00 H new ATOM 0 HA THR A 14 2.421 -8.173 3.310 1.00 0.00 H new ATOM 0 HB THR A 14 3.149 -10.301 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.499 -8.847 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.856 -11.226 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.229 -10.267 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.205 -9.578 2.207 1.00 0.00 H new ATOM 204 N TYR A 15 4.465 -7.532 0.822 1.00 0.00 N ATOM 205 CA TYR A 15 5.858 -7.236 0.508 1.00 0.00 C ATOM 206 C TYR A 15 6.207 -5.809 0.900 1.00 0.00 C ATOM 207 O TYR A 15 7.255 -5.542 1.488 1.00 0.00 O ATOM 208 CB TYR A 15 6.121 -7.449 -0.986 1.00 0.00 C ATOM 209 CG TYR A 15 7.543 -7.152 -1.409 1.00 0.00 C ATOM 210 CD1 TYR A 15 8.623 -7.741 -0.762 1.00 0.00 C ATOM 211 CD2 TYR A 15 7.804 -6.280 -2.459 1.00 0.00 C ATOM 212 CE1 TYR A 15 9.921 -7.469 -1.148 1.00 0.00 C ATOM 213 CE2 TYR A 15 9.099 -6.003 -2.851 1.00 0.00 C ATOM 214 CZ TYR A 15 10.154 -6.599 -2.193 1.00 0.00 C ATOM 215 OH TYR A 15 11.445 -6.326 -2.581 1.00 0.00 O ATOM 0 H TYR A 15 3.819 -7.390 0.046 1.00 0.00 H new ATOM 0 HA TYR A 15 6.489 -7.916 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.885 -8.482 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.443 -6.815 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.444 -8.423 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.981 -5.811 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.749 -7.935 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.284 -5.323 -3.669 1.00 0.00 H new ATOM 0 HH TYR A 15 11.435 -5.696 -3.331 1.00 0.00 H new ATOM 225 N SER A 16 5.312 -4.900 0.564 1.00 0.00 N ATOM 226 CA SER A 16 5.484 -3.490 0.857 1.00 0.00 C ATOM 227 C SER A 16 5.548 -3.251 2.363 1.00 0.00 C ATOM 228 O SER A 16 6.138 -2.274 2.827 1.00 0.00 O ATOM 229 CB SER A 16 4.334 -2.695 0.236 1.00 0.00 C ATOM 230 OG SER A 16 4.140 -3.053 -1.124 1.00 0.00 O ATOM 0 H SER A 16 4.442 -5.119 0.078 1.00 0.00 H new ATOM 0 HA SER A 16 6.427 -3.153 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.418 -2.877 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.545 -1.628 0.308 1.00 0.00 H new ATOM 0 HG SER A 16 3.542 -3.827 -1.176 1.00 0.00 H new ATOM 236 N ALA A 17 4.937 -4.153 3.124 1.00 0.00 N ATOM 237 CA ALA A 17 4.920 -4.036 4.580 1.00 0.00 C ATOM 238 C ALA A 17 6.328 -4.042 5.174 1.00 0.00 C ATOM 239 O ALA A 17 6.542 -3.501 6.255 1.00 0.00 O ATOM 240 CB ALA A 17 4.097 -5.152 5.202 1.00 0.00 C ATOM 0 H ALA A 17 4.448 -4.971 2.760 1.00 0.00 H new ATOM 0 HA ALA A 17 4.461 -3.075 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.099 -5.044 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.073 -5.097 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.529 -6.116 4.932 1.00 0.00 H new ATOM 246 N ALA A 18 7.279 -4.660 4.470 1.00 0.00 N ATOM 247 CA ALA A 18 8.667 -4.739 4.939 1.00 0.00 C ATOM 248 C ALA A 18 9.233 -3.353 5.240 1.00 0.00 C ATOM 249 O ALA A 18 9.906 -3.149 6.248 1.00 0.00 O ATOM 250 CB ALA A 18 9.532 -5.451 3.910 1.00 0.00 C ATOM 0 H ALA A 18 7.114 -5.114 3.572 1.00 0.00 H new ATOM 0 HA ALA A 18 8.675 -5.312 5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.559 -5.502 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.152 -6.460 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.505 -4.901 2.969 1.00 0.00 H new ATOM 256 N LEU A 19 8.936 -2.401 4.365 1.00 0.00 N ATOM 257 CA LEU A 19 9.387 -1.020 4.533 1.00 0.00 C ATOM 258 C LEU A 19 8.561 -0.282 5.568 1.00 0.00 C ATOM 259 O LEU A 19 8.911 0.820 5.982 1.00 0.00 O ATOM 260 CB LEU A 19 9.298 -0.258 3.211 1.00 0.00 C ATOM 261 CG LEU A 19 10.565 -0.245 2.354 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.114 -1.651 2.153 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.286 0.409 1.012 1.00 0.00 C ATOM 0 H LEU A 19 8.380 -2.559 3.524 1.00 0.00 H new ATOM 0 HA LEU A 19 10.422 -1.067 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.489 -0.689 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.020 0.773 3.428 1.00 0.00 H new ATOM 0 HG LEU A 19 11.321 0.336 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.014 -1.606 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.356 -2.089 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.365 -2.266 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.196 0.412 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.509 -0.149 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.952 1.435 1.169 1.00 0.00 H new ATOM 275 N GLY A 20 7.446 -0.874 5.942 1.00 0.00 N ATOM 276 CA GLY A 20 6.552 -0.242 6.884 1.00 0.00 C ATOM 277 C GLY A 20 5.661 0.730 6.156 1.00 0.00 C ATOM 278 O GLY A 20 5.429 1.849 6.616 1.00 0.00 O ATOM 0 H GLY A 20 7.140 -1.788 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.949 -0.995 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.124 0.278 7.652 1.00 0.00 H new ATOM 282 N CYS A 21 5.202 0.289 4.987 1.00 0.00 N ATOM 283 CA CYS A 21 4.355 1.083 4.108 1.00 0.00 C ATOM 284 C CYS A 21 3.193 1.751 4.853 1.00 0.00 C ATOM 285 O CYS A 21 2.655 1.219 5.823 1.00 0.00 O ATOM 286 CB CYS A 21 3.887 0.218 2.932 1.00 0.00 C ATOM 287 SG CYS A 21 5.094 0.192 1.551 1.00 0.00 S ATOM 0 H CYS A 21 5.411 -0.640 4.622 1.00 0.00 H new ATOM 0 HA CYS A 21 4.945 1.910 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.717 -0.801 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.931 0.594 2.567 1.00 0.00 H new ATOM 292 N THR A 22 2.864 2.954 4.395 1.00 0.00 N ATOM 293 CA THR A 22 1.834 3.797 4.991 1.00 0.00 C ATOM 294 C THR A 22 0.447 3.519 4.431 1.00 0.00 C ATOM 295 O THR A 22 -0.481 4.298 4.644 1.00 0.00 O ATOM 296 CB THR A 22 2.149 5.240 4.650 1.00 0.00 C ATOM 297 OG1 THR A 22 3.568 5.429 4.580 1.00 0.00 O ATOM 298 CG2 THR A 22 1.550 6.213 5.656 1.00 0.00 C ATOM 0 H THR A 22 3.314 3.378 3.584 1.00 0.00 H new ATOM 0 HA THR A 22 1.831 3.593 6.062 1.00 0.00 H new ATOM 0 HB THR A 22 1.698 5.450 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.763 6.363 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.803 7.234 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.466 6.098 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.952 6.004 6.648 1.00 0.00 H new ATOM 306 N CYS A 23 0.339 2.435 3.697 1.00 0.00 N ATOM 307 CA CYS A 23 -0.921 2.019 3.071 1.00 0.00 C ATOM 308 C CYS A 23 -2.110 2.263 4.008 1.00 0.00 C ATOM 309 O CYS A 23 -2.036 1.972 5.202 1.00 0.00 O ATOM 310 CB CYS A 23 -0.879 0.530 2.702 1.00 0.00 C ATOM 311 SG CYS A 23 -2.517 -0.288 2.695 1.00 0.00 S ATOM 0 H CYS A 23 1.120 1.806 3.509 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.046 2.617 2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.428 0.424 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.229 0.011 3.406 1.00 0.00 H new ATOM 316 N ASP A 24 -3.183 2.812 3.461 1.00 0.00 N ATOM 317 CA ASP A 24 -4.377 3.124 4.247 1.00 0.00 C ATOM 318 C ASP A 24 -5.344 1.936 4.297 1.00 0.00 C ATOM 319 O ASP A 24 -5.379 1.198 5.280 1.00 0.00 O ATOM 320 CB ASP A 24 -5.074 4.349 3.634 1.00 0.00 C ATOM 321 CG ASP A 24 -6.273 4.852 4.429 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.468 4.422 5.578 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.015 5.707 3.897 1.00 0.00 O ATOM 0 H ASP A 24 -3.256 3.053 2.473 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.073 3.341 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.348 5.157 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.401 4.099 2.625 1.00 0.00 H new ATOM 328 N ASP A 25 -6.132 1.787 3.230 1.00 0.00 N ATOM 329 CA ASP A 25 -7.146 0.731 3.104 1.00 0.00 C ATOM 330 C ASP A 25 -8.324 0.988 4.006 1.00 0.00 C ATOM 331 O ASP A 25 -8.210 1.212 5.209 1.00 0.00 O ATOM 332 CB ASP A 25 -6.608 -0.694 3.328 1.00 0.00 C ATOM 333 CG ASP A 25 -7.726 -1.693 3.602 1.00 0.00 C ATOM 334 OD1 ASP A 25 -8.725 -1.703 2.840 1.00 0.00 O ATOM 335 OD2 ASP A 25 -7.596 -2.489 4.554 1.00 0.00 O ATOM 0 H ASP A 25 -6.085 2.402 2.418 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.468 0.776 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.046 -1.011 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.912 -0.690 4.167 1.00 0.00 H new ATOM 340 N ARG A 26 -9.466 0.949 3.369 1.00 0.00 N ATOM 341 CA ARG A 26 -10.738 1.170 4.003 1.00 0.00 C ATOM 342 C ARG A 26 -11.773 0.534 3.111 1.00 0.00 C ATOM 343 O ARG A 26 -12.741 1.175 2.698 1.00 0.00 O ATOM 344 CB ARG A 26 -10.975 2.670 4.137 1.00 0.00 C ATOM 345 CG ARG A 26 -10.396 3.280 5.403 1.00 0.00 C ATOM 346 CD ARG A 26 -9.774 4.637 5.127 1.00 0.00 C ATOM 347 NE ARG A 26 -10.760 5.614 4.662 1.00 0.00 N ATOM 348 CZ ARG A 26 -10.442 6.813 4.176 1.00 0.00 C ATOM 349 NH1 ARG A 26 -9.169 7.146 3.996 1.00 0.00 N ATOM 350 NH2 ARG A 26 -11.402 7.668 3.836 1.00 0.00 N ATOM 0 H ARG A 26 -9.538 0.758 2.370 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.783 0.738 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.542 3.174 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.048 2.861 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.181 3.383 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.644 2.611 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.298 5.008 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.990 4.530 4.377 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.747 5.362 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.430 6.483 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.930 8.065 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.381 7.406 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.159 8.586 3.464 1.00 0.00 H new ATOM 364 N SER A 27 -11.463 -0.714 2.744 1.00 0.00 N ATOM 365 CA SER A 27 -12.242 -1.505 1.800 1.00 0.00 C ATOM 366 C SER A 27 -11.765 -1.102 0.413 1.00 0.00 C ATOM 367 O SER A 27 -12.268 -1.572 -0.612 1.00 0.00 O ATOM 368 CB SER A 27 -13.759 -1.302 1.955 1.00 0.00 C ATOM 369 OG SER A 27 -14.482 -2.134 1.065 1.00 0.00 O ATOM 0 H SER A 27 -10.647 -1.207 3.105 1.00 0.00 H new ATOM 0 HA SER A 27 -12.086 -2.568 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.054 -1.520 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.010 -0.258 1.766 1.00 0.00 H new ATOM 0 HG SER A 27 -14.057 -2.116 0.182 1.00 0.00 H new ATOM 375 N ASP A 28 -10.755 -0.228 0.438 1.00 0.00 N ATOM 376 CA ASP A 28 -10.100 0.306 -0.742 1.00 0.00 C ATOM 377 C ASP A 28 -9.049 1.327 -0.315 1.00 0.00 C ATOM 378 O ASP A 28 -9.260 2.080 0.640 1.00 0.00 O ATOM 379 CB ASP A 28 -11.112 0.949 -1.706 1.00 0.00 C ATOM 380 CG ASP A 28 -10.524 1.244 -3.077 1.00 0.00 C ATOM 381 OD1 ASP A 28 -9.597 2.069 -3.175 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.983 0.633 -4.067 1.00 0.00 O ATOM 0 H ASP A 28 -10.365 0.133 1.309 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.620 -0.515 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.969 0.285 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.483 1.876 -1.269 1.00 0.00 H new ATOM 387 N GLY A 29 -7.922 1.348 -1.015 1.00 0.00 N ATOM 388 CA GLY A 29 -6.860 2.280 -0.702 1.00 0.00 C ATOM 389 C GLY A 29 -5.693 2.157 -1.643 1.00 0.00 C ATOM 390 O GLY A 29 -5.866 2.010 -2.852 1.00 0.00 O ATOM 0 H GLY A 29 -7.725 0.729 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.250 3.297 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.519 2.109 0.319 1.00 0.00 H new ATOM 394 N LEU A 30 -4.497 2.230 -1.082 1.00 0.00 N ATOM 395 CA LEU A 30 -3.283 2.159 -1.866 1.00 0.00 C ATOM 396 C LEU A 30 -2.079 2.019 -0.937 1.00 0.00 C ATOM 397 O LEU A 30 -1.968 2.748 0.050 1.00 0.00 O ATOM 398 CB LEU A 30 -3.178 3.451 -2.682 1.00 0.00 C ATOM 399 CG LEU A 30 -2.297 3.416 -3.937 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.830 3.318 -3.581 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.703 2.260 -4.840 1.00 0.00 C ATOM 0 H LEU A 30 -4.345 2.339 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.302 1.296 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.184 3.743 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.801 4.236 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.447 4.352 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.235 3.295 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.543 4.182 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.654 2.406 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.068 2.250 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.589 1.320 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.744 2.382 -5.141 1.00 0.00 H new ATOM 413 N CYS A 31 -1.175 1.095 -1.249 1.00 0.00 N ATOM 414 CA CYS A 31 0.013 0.895 -0.430 1.00 0.00 C ATOM 415 C CYS A 31 0.966 2.056 -0.626 1.00 0.00 C ATOM 416 O CYS A 31 1.540 2.207 -1.693 1.00 0.00 O ATOM 417 CB CYS A 31 0.725 -0.406 -0.802 1.00 0.00 C ATOM 418 SG CYS A 31 -0.305 -1.899 -0.665 1.00 0.00 S ATOM 0 H CYS A 31 -1.243 0.477 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.299 0.836 0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.090 -0.325 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.598 -0.523 -0.161 1.00 0.00 H new ATOM 423 N LYS A 32 1.146 2.875 0.392 1.00 0.00 N ATOM 424 CA LYS A 32 2.043 4.006 0.284 1.00 0.00 C ATOM 425 C LYS A 32 3.399 3.596 0.834 1.00 0.00 C ATOM 426 O LYS A 32 3.453 2.884 1.819 1.00 0.00 O ATOM 427 CB LYS A 32 1.453 5.205 1.018 1.00 0.00 C ATOM 428 CG LYS A 32 0.019 5.540 0.603 1.00 0.00 C ATOM 429 CD LYS A 32 -0.227 5.396 -0.907 1.00 0.00 C ATOM 430 CE LYS A 32 0.541 6.389 -1.744 1.00 0.00 C ATOM 431 NZ LYS A 32 0.505 7.777 -1.192 1.00 0.00 N ATOM 0 H LYS A 32 0.686 2.779 1.297 1.00 0.00 H new ATOM 0 HA LYS A 32 2.173 4.306 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.474 5.009 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.085 6.075 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.669 4.887 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.210 6.562 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.045 4.387 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.292 5.514 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.578 6.063 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.132 6.396 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.417 8.459 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.310 7.875 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.382 7.964 -0.666 1.00 0.00 H new ATOM 445 N ARG A 33 4.486 3.974 0.164 1.00 0.00 N ATOM 446 CA ARG A 33 5.825 3.530 0.590 1.00 0.00 C ATOM 447 C ARG A 33 6.350 4.304 1.803 1.00 0.00 C ATOM 448 O ARG A 33 5.634 4.478 2.780 1.00 0.00 O ATOM 449 CB ARG A 33 6.810 3.637 -0.582 1.00 0.00 C ATOM 450 CG ARG A 33 7.772 2.461 -0.667 1.00 0.00 C ATOM 451 CD ARG A 33 8.739 2.576 -1.842 1.00 0.00 C ATOM 452 NE ARG A 33 9.819 3.531 -1.586 1.00 0.00 N ATOM 453 CZ ARG A 33 9.803 4.813 -1.963 1.00 0.00 C ATOM 454 NH1 ARG A 33 8.809 5.283 -2.706 1.00 0.00 N ATOM 455 NH2 ARG A 33 10.802 5.615 -1.624 1.00 0.00 N ATOM 0 H ARG A 33 4.476 4.574 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 33 5.735 2.489 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.249 3.707 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.382 4.560 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.340 2.394 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.202 1.536 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.167 1.596 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.190 2.883 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 33 10.641 3.194 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.050 4.665 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.804 6.263 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.583 5.254 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.790 6.594 -1.911 1.00 0.00 H new ATOM 469 N ASN A 34 7.604 4.751 1.731 1.00 0.00 N ATOM 470 CA ASN A 34 8.250 5.502 2.811 1.00 0.00 C ATOM 471 C ASN A 34 9.369 6.350 2.244 1.00 0.00 C ATOM 472 O ASN A 34 9.912 6.032 1.189 1.00 0.00 O ATOM 473 CB ASN A 34 8.759 4.585 3.914 1.00 0.00 C ATOM 474 CG ASN A 34 7.746 4.395 5.022 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.194 5.362 5.544 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.523 3.154 5.409 1.00 0.00 N ATOM 0 H ASN A 34 8.204 4.602 0.919 1.00 0.00 H new ATOM 0 HA ASN A 34 7.505 6.155 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.013 3.615 3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.677 4.999 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.870 2.967 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.003 2.382 4.947 1.00 0.00 H new ATOM 483 N GLY A 35 9.648 7.473 2.900 1.00 0.00 N ATOM 484 CA GLY A 35 10.639 8.413 2.394 1.00 0.00 C ATOM 485 C GLY A 35 9.939 9.365 1.449 1.00 0.00 C ATOM 486 O GLY A 35 10.089 10.582 1.516 1.00 0.00 O ATOM 0 H GLY A 35 9.205 7.751 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.099 8.961 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.439 7.882 1.878 1.00 0.00 H new ATOM 490 N ASP A 36 9.108 8.753 0.627 1.00 0.00 N ATOM 491 CA ASP A 36 8.251 9.416 -0.337 1.00 0.00 C ATOM 492 C ASP A 36 7.053 8.486 -0.584 1.00 0.00 C ATOM 493 O ASP A 36 6.789 8.068 -1.706 1.00 0.00 O ATOM 494 CB ASP A 36 9.017 9.731 -1.638 1.00 0.00 C ATOM 495 CG ASP A 36 9.666 8.510 -2.275 1.00 0.00 C ATOM 496 OD1 ASP A 36 9.008 7.824 -3.082 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.833 8.212 -1.946 1.00 0.00 O ATOM 0 H ASP A 36 9.008 7.738 0.612 1.00 0.00 H new ATOM 0 HA ASP A 36 7.906 10.377 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.330 10.182 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.787 10.472 -1.426 1.00 0.00 H new ATOM 502 N PRO A 37 6.323 8.110 0.504 1.00 0.00 N ATOM 503 CA PRO A 37 5.172 7.184 0.440 1.00 0.00 C ATOM 504 C PRO A 37 4.158 7.545 -0.629 1.00 0.00 C ATOM 505 O PRO A 37 3.242 8.343 -0.412 1.00 0.00 O ATOM 506 CB PRO A 37 4.587 7.292 1.849 1.00 0.00 C ATOM 507 CG PRO A 37 5.809 7.486 2.665 1.00 0.00 C ATOM 508 CD PRO A 37 6.567 8.528 1.905 1.00 0.00 C ATOM 0 HA PRO A 37 5.467 6.173 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.895 8.129 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.041 6.393 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.570 7.819 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.380 6.562 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.194 9.533 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.628 8.527 2.154 1.00 0.00 H new TER 516 PRO A 37