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+ 144:sc= 1.1 (180deg=-0.565) USER MOD Single : A 1 THR OG1 : rot 73:sc= 0.635 USER MOD Single : A 6 THR OG1 : rot 46:sc= 0.0264 USER MOD Single : A 14 THR OG1 : rot 24:sc= 0.373 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 140:sc= 0 USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.0746 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000904) USER MOD Single : A 34 ASN : amide:sc= 1.1 K(o=1.1,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.325 7.129 -1.316 1.00 0.00 N ATOM 2 CA THR A 1 4.669 7.190 -2.579 1.00 0.00 C ATOM 3 C THR A 1 4.278 5.761 -2.888 1.00 0.00 C ATOM 4 O THR A 1 4.690 4.854 -2.169 1.00 0.00 O ATOM 5 CB THR A 1 5.603 7.761 -3.672 1.00 0.00 C ATOM 6 OG1 THR A 1 6.259 8.933 -3.176 1.00 0.00 O ATOM 7 CG2 THR A 1 4.829 8.121 -4.934 1.00 0.00 C ATOM 0 H3 THR A 1 6.104 7.818 -1.296 1.00 0.00 H new ATOM 0 HA THR A 1 3.804 7.853 -2.553 1.00 0.00 H new ATOM 0 HB THR A 1 6.335 6.993 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.940 8.674 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.516 8.519 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.341 7.230 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.076 8.872 -4.697 1.00 0.00 H new ATOM 15 N PHE A 2 3.473 5.567 -3.900 1.00 0.00 N ATOM 16 CA PHE A 2 3.007 4.241 -4.269 1.00 0.00 C ATOM 17 C PHE A 2 4.173 3.260 -4.459 1.00 0.00 C ATOM 18 O PHE A 2 4.847 3.278 -5.486 1.00 0.00 O ATOM 19 CB PHE A 2 2.158 4.362 -5.538 1.00 0.00 C ATOM 20 CG PHE A 2 1.919 3.074 -6.280 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.456 1.945 -5.625 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.153 3.002 -7.645 1.00 0.00 C ATOM 23 CE1 PHE A 2 1.233 0.771 -6.318 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.931 1.831 -8.341 1.00 0.00 C ATOM 25 CZ PHE A 2 1.470 0.714 -7.676 1.00 0.00 C ATOM 0 H PHE A 2 3.119 6.316 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 2 2.399 3.833 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.193 4.791 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.643 5.066 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.267 1.983 -4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.514 3.874 -8.170 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.873 -0.103 -5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.118 1.789 -9.404 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.295 -0.204 -8.217 1.00 0.00 H new ATOM 35 N CYS A 3 4.405 2.428 -3.438 1.00 0.00 N ATOM 36 CA CYS A 3 5.489 1.443 -3.459 1.00 0.00 C ATOM 37 C CYS A 3 5.358 0.512 -4.666 1.00 0.00 C ATOM 38 O CYS A 3 6.195 0.524 -5.567 1.00 0.00 O ATOM 39 CB CYS A 3 5.478 0.593 -2.177 1.00 0.00 C ATOM 40 SG CYS A 3 4.873 1.451 -0.685 1.00 0.00 S ATOM 0 H CYS A 3 3.851 2.419 -2.581 1.00 0.00 H new ATOM 0 HA CYS A 3 6.427 1.994 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.857 -0.287 -2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.490 0.237 -1.987 1.00 0.00 H new ATOM 45 N GLY A 4 4.301 -0.291 -4.669 1.00 0.00 N ATOM 46 CA GLY A 4 4.071 -1.218 -5.763 1.00 0.00 C ATOM 47 C GLY A 4 3.038 -2.277 -5.419 1.00 0.00 C ATOM 48 O GLY A 4 3.197 -3.441 -5.776 1.00 0.00 O ATOM 0 H GLY A 4 3.597 -0.317 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.740 -0.664 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.010 -1.703 -6.028 1.00 0.00 H new ATOM 52 N GLU A 5 1.971 -1.864 -4.738 1.00 0.00 N ATOM 53 CA GLU A 5 0.891 -2.764 -4.343 1.00 0.00 C ATOM 54 C GLU A 5 -0.392 -1.968 -4.207 1.00 0.00 C ATOM 55 O GLU A 5 -0.356 -0.744 -4.055 1.00 0.00 O ATOM 56 CB GLU A 5 1.166 -3.434 -2.992 1.00 0.00 C ATOM 57 CG GLU A 5 2.440 -4.248 -2.921 1.00 0.00 C ATOM 58 CD GLU A 5 2.666 -4.812 -1.539 1.00 0.00 C ATOM 59 OE1 GLU A 5 2.032 -5.825 -1.185 1.00 0.00 O ATOM 60 OE2 GLU A 5 3.463 -4.224 -0.788 1.00 0.00 O ATOM 0 H GLU A 5 1.831 -0.897 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 5 0.811 -3.535 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.204 -2.662 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.325 -4.084 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.392 -5.063 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.287 -3.623 -3.202 1.00 0.00 H new ATOM 67 N THR A 6 -1.517 -2.653 -4.230 1.00 0.00 N ATOM 68 CA THR A 6 -2.794 -1.994 -4.076 1.00 0.00 C ATOM 69 C THR A 6 -3.638 -2.696 -3.022 1.00 0.00 C ATOM 70 O THR A 6 -4.076 -3.832 -3.210 1.00 0.00 O ATOM 71 CB THR A 6 -3.572 -1.935 -5.402 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.461 -3.184 -6.098 1.00 0.00 O ATOM 73 CG2 THR A 6 -3.065 -0.807 -6.287 1.00 0.00 C ATOM 0 H THR A 6 -1.571 -3.664 -4.354 1.00 0.00 H new ATOM 0 HA THR A 6 -2.589 -0.973 -3.755 1.00 0.00 H new ATOM 0 HB THR A 6 -4.619 -1.744 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.609 -3.922 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.634 -0.790 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.187 0.145 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.010 -0.966 -6.510 1.00 0.00 H new ATOM 81 N CYS A 7 -3.882 -2.005 -1.923 1.00 0.00 N ATOM 82 CA CYS A 7 -4.697 -2.545 -0.846 1.00 0.00 C ATOM 83 C CYS A 7 -6.173 -2.353 -1.198 1.00 0.00 C ATOM 84 O CYS A 7 -6.879 -1.563 -0.577 1.00 0.00 O ATOM 85 CB CYS A 7 -4.358 -1.877 0.500 1.00 0.00 C ATOM 86 SG CYS A 7 -4.413 -0.060 0.469 1.00 0.00 S ATOM 0 H CYS A 7 -3.526 -1.065 -1.751 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.486 -3.609 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.055 -2.237 1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.362 -2.193 0.808 1.00 0.00 H new ATOM 91 N ARG A 8 -6.603 -3.047 -2.244 1.00 0.00 N ATOM 92 CA ARG A 8 -7.969 -2.944 -2.746 1.00 0.00 C ATOM 93 C ARG A 8 -8.983 -3.692 -1.884 1.00 0.00 C ATOM 94 O ARG A 8 -9.366 -3.221 -0.817 1.00 0.00 O ATOM 95 CB ARG A 8 -8.028 -3.429 -4.191 1.00 0.00 C ATOM 96 CG ARG A 8 -7.769 -2.316 -5.181 1.00 0.00 C ATOM 97 CD ARG A 8 -7.874 -2.794 -6.623 1.00 0.00 C ATOM 98 NE ARG A 8 -9.226 -3.248 -6.963 1.00 0.00 N ATOM 99 CZ ARG A 8 -10.302 -2.450 -7.002 1.00 0.00 C ATOM 100 NH1 ARG A 8 -10.176 -1.140 -6.812 1.00 0.00 N ATOM 101 NH2 ARG A 8 -11.502 -2.965 -7.247 1.00 0.00 N ATOM 0 H ARG A 8 -6.017 -3.696 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.249 -1.891 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.293 -4.220 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.008 -3.865 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.483 -1.510 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.775 -1.902 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.586 -1.984 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.168 -3.609 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.356 -4.235 -7.184 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.256 -0.736 -6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.999 -0.539 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.604 -3.967 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.321 -2.358 -7.277 1.00 0.00 H new ATOM 115 N VAL A 9 -9.427 -4.850 -2.360 1.00 0.00 N ATOM 116 CA VAL A 9 -10.415 -5.629 -1.632 1.00 0.00 C ATOM 117 C VAL A 9 -9.710 -6.520 -0.615 1.00 0.00 C ATOM 118 O VAL A 9 -10.278 -6.931 0.395 1.00 0.00 O ATOM 119 CB VAL A 9 -11.284 -6.482 -2.590 1.00 0.00 C ATOM 120 CG1 VAL A 9 -10.439 -7.506 -3.336 1.00 0.00 C ATOM 121 CG2 VAL A 9 -12.420 -7.163 -1.839 1.00 0.00 C ATOM 0 H VAL A 9 -9.120 -5.265 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.082 -4.941 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.722 -5.808 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.077 -8.089 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.678 -6.992 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.957 -8.171 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.014 -7.755 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.008 -7.815 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.053 -6.407 -1.374 1.00 0.00 H new ATOM 131 N ILE A 10 -8.440 -6.754 -0.884 1.00 0.00 N ATOM 132 CA ILE A 10 -7.577 -7.527 -0.013 1.00 0.00 C ATOM 133 C ILE A 10 -6.349 -6.674 0.277 1.00 0.00 C ATOM 134 O ILE A 10 -5.299 -6.838 -0.341 1.00 0.00 O ATOM 135 CB ILE A 10 -7.171 -8.881 -0.645 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.761 -8.698 -2.114 1.00 0.00 C ATOM 137 CG2 ILE A 10 -8.316 -9.878 -0.527 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.262 -9.969 -2.771 1.00 0.00 C ATOM 0 H ILE A 10 -7.974 -6.409 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.108 -7.773 0.906 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.310 -9.272 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.615 -8.321 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.981 -7.939 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.020 -10.827 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.557 -10.032 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.192 -9.489 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.991 -9.761 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.388 -10.337 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.048 -10.724 -2.746 1.00 0.00 H new ATOM 150 N PRO A 11 -6.499 -5.677 1.166 1.00 0.00 N ATOM 151 CA PRO A 11 -5.433 -4.729 1.478 1.00 0.00 C ATOM 152 C PRO A 11 -4.231 -5.301 2.203 1.00 0.00 C ATOM 153 O PRO A 11 -3.904 -6.482 2.114 1.00 0.00 O ATOM 154 CB PRO A 11 -6.110 -3.700 2.389 1.00 0.00 C ATOM 155 CG PRO A 11 -7.555 -3.871 2.162 1.00 0.00 C ATOM 156 CD PRO A 11 -7.741 -5.334 1.883 1.00 0.00 C ATOM 0 HA PRO A 11 -5.022 -4.344 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.853 -3.871 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.790 -2.687 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.130 -3.561 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.896 -3.264 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.854 -5.912 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.626 -5.523 1.276 1.00 0.00 H new ATOM 164 N VAL A 12 -3.591 -4.395 2.927 1.00 0.00 N ATOM 165 CA VAL A 12 -2.412 -4.669 3.712 1.00 0.00 C ATOM 166 C VAL A 12 -1.240 -5.070 2.834 1.00 0.00 C ATOM 167 O VAL A 12 -0.927 -6.250 2.684 1.00 0.00 O ATOM 168 CB VAL A 12 -2.638 -5.746 4.797 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.448 -5.813 5.746 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.924 -5.482 5.570 1.00 0.00 C ATOM 0 H VAL A 12 -3.892 -3.422 2.981 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.180 -3.734 4.222 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.735 -6.710 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.628 -6.577 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.548 -6.063 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.315 -4.846 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.059 -6.255 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.864 -4.507 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.770 -5.495 4.883 1.00 0.00 H new ATOM 180 N CYS A 13 -0.606 -4.060 2.266 1.00 0.00 N ATOM 181 CA CYS A 13 0.557 -4.244 1.400 1.00 0.00 C ATOM 182 C CYS A 13 1.598 -5.110 2.115 1.00 0.00 C ATOM 183 O CYS A 13 2.238 -4.663 3.067 1.00 0.00 O ATOM 184 CB CYS A 13 1.142 -2.872 1.080 1.00 0.00 C ATOM 185 SG CYS A 13 -0.113 -1.544 1.077 1.00 0.00 S ATOM 0 H CYS A 13 -0.879 -3.085 2.389 1.00 0.00 H new ATOM 0 HA CYS A 13 0.266 -4.744 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.914 -2.633 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.627 -2.908 0.104 1.00 0.00 H new ATOM 190 N THR A 14 1.713 -6.362 1.694 1.00 0.00 N ATOM 191 CA THR A 14 2.620 -7.311 2.330 1.00 0.00 C ATOM 192 C THR A 14 3.991 -7.423 1.639 1.00 0.00 C ATOM 193 O THR A 14 4.968 -7.831 2.268 1.00 0.00 O ATOM 194 CB THR A 14 1.962 -8.705 2.388 1.00 0.00 C ATOM 195 OG1 THR A 14 0.620 -8.587 2.880 1.00 0.00 O ATOM 196 CG2 THR A 14 2.743 -9.650 3.292 1.00 0.00 C ATOM 0 H THR A 14 1.186 -6.747 0.910 1.00 0.00 H new ATOM 0 HA THR A 14 2.807 -6.926 3.332 1.00 0.00 H new ATOM 0 HB THR A 14 1.958 -9.116 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.290 -7.679 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.253 -10.623 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.758 -9.762 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.778 -9.242 4.302 1.00 0.00 H new ATOM 204 N TYR A 15 4.079 -7.074 0.363 1.00 0.00 N ATOM 205 CA TYR A 15 5.350 -7.174 -0.351 1.00 0.00 C ATOM 206 C TYR A 15 6.297 -6.068 0.091 1.00 0.00 C ATOM 207 O TYR A 15 7.445 -6.312 0.458 1.00 0.00 O ATOM 208 CB TYR A 15 5.125 -7.109 -1.865 1.00 0.00 C ATOM 209 CG TYR A 15 6.388 -7.262 -2.684 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.253 -8.330 -2.472 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.714 -6.340 -3.670 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.406 -8.472 -3.219 1.00 0.00 C ATOM 213 CE2 TYR A 15 7.864 -6.477 -4.422 1.00 0.00 C ATOM 214 CZ TYR A 15 8.707 -7.543 -4.193 1.00 0.00 C ATOM 215 OH TYR A 15 9.855 -7.682 -4.939 1.00 0.00 O ATOM 0 H TYR A 15 3.300 -6.724 -0.195 1.00 0.00 H new ATOM 0 HA TYR A 15 5.803 -8.136 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.422 -7.892 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.658 -6.155 -2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.019 -9.060 -1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.057 -5.502 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.069 -9.306 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.102 -5.752 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 15 9.918 -6.945 -5.582 1.00 0.00 H new ATOM 225 N SER A 16 5.790 -4.855 0.067 1.00 0.00 N ATOM 226 CA SER A 16 6.553 -3.689 0.471 1.00 0.00 C ATOM 227 C SER A 16 6.367 -3.423 1.961 1.00 0.00 C ATOM 228 O SER A 16 6.720 -2.356 2.470 1.00 0.00 O ATOM 229 CB SER A 16 6.120 -2.487 -0.367 1.00 0.00 C ATOM 230 OG SER A 16 6.407 -2.697 -1.740 1.00 0.00 O ATOM 0 H SER A 16 4.838 -4.647 -0.233 1.00 0.00 H new ATOM 0 HA SER A 16 7.614 -3.868 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.052 -2.314 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.633 -1.591 -0.017 1.00 0.00 H new ATOM 0 HG SER A 16 5.667 -2.356 -2.285 1.00 0.00 H new ATOM 236 N ALA A 17 5.817 -4.413 2.659 1.00 0.00 N ATOM 237 CA ALA A 17 5.579 -4.309 4.092 1.00 0.00 C ATOM 238 C ALA A 17 6.883 -4.147 4.867 1.00 0.00 C ATOM 239 O ALA A 17 6.893 -3.566 5.947 1.00 0.00 O ATOM 240 CB ALA A 17 4.818 -5.522 4.602 1.00 0.00 C ATOM 0 H ALA A 17 5.527 -5.301 2.250 1.00 0.00 H new ATOM 0 HA ALA A 17 4.974 -3.417 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.652 -5.423 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.858 -5.591 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.398 -6.424 4.407 1.00 0.00 H new ATOM 246 N ALA A 18 7.981 -4.661 4.306 1.00 0.00 N ATOM 247 CA ALA A 18 9.296 -4.567 4.946 1.00 0.00 C ATOM 248 C ALA A 18 9.640 -3.109 5.239 1.00 0.00 C ATOM 249 O ALA A 18 10.153 -2.776 6.304 1.00 0.00 O ATOM 250 CB ALA A 18 10.361 -5.200 4.063 1.00 0.00 C ATOM 0 H ALA A 18 7.985 -5.147 3.409 1.00 0.00 H new ATOM 0 HA ALA A 18 9.264 -5.111 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.332 -5.122 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.120 -6.250 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.395 -4.681 3.105 1.00 0.00 H new ATOM 256 N LEU A 19 9.312 -2.248 4.287 1.00 0.00 N ATOM 257 CA LEU A 19 9.529 -0.811 4.417 1.00 0.00 C ATOM 258 C LEU A 19 8.507 -0.158 5.314 1.00 0.00 C ATOM 259 O LEU A 19 8.648 1.006 5.672 1.00 0.00 O ATOM 260 CB LEU A 19 9.469 -0.135 3.054 1.00 0.00 C ATOM 261 CG LEU A 19 10.807 0.097 2.366 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.756 -1.075 2.576 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.599 0.346 0.881 1.00 0.00 C ATOM 0 H LEU A 19 8.888 -2.524 3.401 1.00 0.00 H new ATOM 0 HA LEU A 19 10.517 -0.688 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.845 -0.741 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.970 0.827 3.169 1.00 0.00 H new ATOM 0 HG LEU A 19 11.263 0.979 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.700 -0.873 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.937 -1.210 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.311 -1.981 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.564 0.510 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.113 -0.520 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.971 1.226 0.744 1.00 0.00 H new ATOM 275 N GLY A 20 7.466 -0.889 5.626 1.00 0.00 N ATOM 276 CA GLY A 20 6.404 -0.347 6.432 1.00 0.00 C ATOM 277 C GLY A 20 5.451 0.423 5.556 1.00 0.00 C ATOM 278 O GLY A 20 4.822 1.383 5.992 1.00 0.00 O ATOM 0 H GLY A 20 7.332 -1.857 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.875 -1.151 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.815 0.306 7.202 1.00 0.00 H new ATOM 282 N CYS A 21 5.361 -0.021 4.303 1.00 0.00 N ATOM 283 CA CYS A 21 4.490 0.594 3.317 1.00 0.00 C ATOM 284 C CYS A 21 3.041 0.516 3.765 1.00 0.00 C ATOM 285 O CYS A 21 2.414 -0.543 3.711 1.00 0.00 O ATOM 286 CB CYS A 21 4.658 -0.099 1.960 1.00 0.00 C ATOM 287 SG CYS A 21 5.929 0.642 0.866 1.00 0.00 S ATOM 0 H CYS A 21 5.892 -0.817 3.949 1.00 0.00 H new ATOM 0 HA CYS A 21 4.767 1.643 3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.913 -1.145 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.700 -0.085 1.440 1.00 0.00 H new ATOM 292 N THR A 22 2.512 1.645 4.196 1.00 0.00 N ATOM 293 CA THR A 22 1.143 1.708 4.639 1.00 0.00 C ATOM 294 C THR A 22 0.343 2.578 3.705 1.00 0.00 C ATOM 295 O THR A 22 0.717 3.711 3.406 1.00 0.00 O ATOM 296 CB THR A 22 1.011 2.249 6.068 1.00 0.00 C ATOM 297 OG1 THR A 22 1.738 3.477 6.201 1.00 0.00 O ATOM 298 CG2 THR A 22 1.514 1.237 7.087 1.00 0.00 C ATOM 0 H THR A 22 3.016 2.531 4.247 1.00 0.00 H new ATOM 0 HA THR A 22 0.759 0.688 4.634 1.00 0.00 H new ATOM 0 HB THR A 22 -0.046 2.433 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.636 4.008 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.408 1.648 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.931 0.320 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.564 1.017 6.894 1.00 0.00 H new ATOM 306 N CYS A 23 -0.751 2.037 3.240 1.00 0.00 N ATOM 307 CA CYS A 23 -1.619 2.751 2.337 1.00 0.00 C ATOM 308 C CYS A 23 -2.703 3.494 3.108 1.00 0.00 C ATOM 309 O CYS A 23 -2.453 4.047 4.177 1.00 0.00 O ATOM 310 CB CYS A 23 -2.229 1.779 1.338 1.00 0.00 C ATOM 311 SG CYS A 23 -3.278 0.485 2.055 1.00 0.00 S ATOM 0 H CYS A 23 -1.066 1.095 3.473 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.034 3.492 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.821 2.346 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.422 1.302 0.781 1.00 0.00 H new ATOM 316 N ASP A 24 -3.905 3.474 2.560 1.00 0.00 N ATOM 317 CA ASP A 24 -5.054 4.118 3.179 1.00 0.00 C ATOM 318 C ASP A 24 -6.058 3.061 3.644 1.00 0.00 C ATOM 319 O ASP A 24 -6.377 2.978 4.827 1.00 0.00 O ATOM 320 CB ASP A 24 -5.704 5.079 2.175 1.00 0.00 C ATOM 321 CG ASP A 24 -6.886 5.847 2.744 1.00 0.00 C ATOM 322 OD1 ASP A 24 -7.940 5.227 2.991 1.00 0.00 O ATOM 323 OD2 ASP A 24 -6.757 7.074 2.928 1.00 0.00 O ATOM 0 H ASP A 24 -4.114 3.012 1.675 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.728 4.687 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.954 5.789 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.035 4.512 1.305 1.00 0.00 H new ATOM 328 N ASP A 25 -6.535 2.259 2.683 1.00 0.00 N ATOM 329 CA ASP A 25 -7.517 1.190 2.933 1.00 0.00 C ATOM 330 C ASP A 25 -8.786 1.749 3.495 1.00 0.00 C ATOM 331 O ASP A 25 -8.929 1.950 4.696 1.00 0.00 O ATOM 332 CB ASP A 25 -6.954 0.056 3.821 1.00 0.00 C ATOM 333 CG ASP A 25 -7.995 -0.976 4.272 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.173 -0.903 3.850 1.00 0.00 O ATOM 335 OD2 ASP A 25 -7.624 -1.881 5.045 1.00 0.00 O ATOM 0 H ASP A 25 -6.251 2.332 1.706 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.743 0.737 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.164 -0.459 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.493 0.498 4.704 1.00 0.00 H new ATOM 340 N ARG A 26 -9.702 1.960 2.566 1.00 0.00 N ATOM 341 CA ARG A 26 -11.026 2.481 2.821 1.00 0.00 C ATOM 342 C ARG A 26 -11.740 2.616 1.501 1.00 0.00 C ATOM 343 O ARG A 26 -11.602 3.625 0.814 1.00 0.00 O ATOM 344 CB ARG A 26 -10.989 3.830 3.529 1.00 0.00 C ATOM 345 CG ARG A 26 -11.043 3.777 5.060 1.00 0.00 C ATOM 346 CD ARG A 26 -11.963 2.671 5.579 1.00 0.00 C ATOM 347 NE ARG A 26 -11.350 1.346 5.436 1.00 0.00 N ATOM 348 CZ ARG A 26 -11.924 0.192 5.762 1.00 0.00 C ATOM 349 NH1 ARG A 26 -13.130 0.175 6.323 1.00 0.00 N ATOM 350 NH2 ARG A 26 -11.283 -0.948 5.524 1.00 0.00 N ATOM 0 H ARG A 26 -9.534 1.765 1.579 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.550 1.790 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.078 4.350 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.828 4.429 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.037 3.620 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.387 4.739 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.196 2.853 6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.907 2.697 5.034 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.405 1.307 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.620 1.051 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.565 -0.714 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.358 -0.933 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.716 -1.838 5.771 1.00 0.00 H new ATOM 364 N SER A 27 -12.463 1.565 1.135 1.00 0.00 N ATOM 365 CA SER A 27 -13.164 1.529 -0.134 1.00 0.00 C ATOM 366 C SER A 27 -12.135 1.553 -1.250 1.00 0.00 C ATOM 367 O SER A 27 -12.304 2.227 -2.271 1.00 0.00 O ATOM 368 CB SER A 27 -14.150 2.694 -0.246 1.00 0.00 C ATOM 369 OG SER A 27 -15.074 2.685 0.836 1.00 0.00 O ATOM 0 H SER A 27 -12.577 0.726 1.704 1.00 0.00 H new ATOM 0 HA SER A 27 -13.753 0.615 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.604 3.638 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.690 2.629 -1.191 1.00 0.00 H new ATOM 0 HG SER A 27 -15.693 3.439 0.744 1.00 0.00 H new ATOM 375 N ASP A 28 -11.068 0.785 -1.006 1.00 0.00 N ATOM 376 CA ASP A 28 -9.945 0.629 -1.921 1.00 0.00 C ATOM 377 C ASP A 28 -9.063 1.878 -1.956 1.00 0.00 C ATOM 378 O ASP A 28 -9.550 3.004 -2.018 1.00 0.00 O ATOM 379 CB ASP A 28 -10.429 0.269 -3.334 1.00 0.00 C ATOM 380 CG ASP A 28 -11.164 -1.063 -3.402 1.00 0.00 C ATOM 381 OD1 ASP A 28 -12.231 -1.198 -2.772 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.679 -1.973 -4.105 1.00 0.00 O ATOM 0 H ASP A 28 -10.964 0.245 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.337 -0.194 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.088 1.058 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.572 0.237 -4.006 1.00 0.00 H new ATOM 387 N GLY A 29 -7.748 1.667 -1.914 1.00 0.00 N ATOM 388 CA GLY A 29 -6.822 2.784 -1.941 1.00 0.00 C ATOM 389 C GLY A 29 -5.549 2.485 -2.699 1.00 0.00 C ATOM 390 O GLY A 29 -5.581 1.880 -3.770 1.00 0.00 O ATOM 0 H GLY A 29 -7.311 0.747 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.314 3.644 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.571 3.064 -0.918 1.00 0.00 H new ATOM 394 N LEU A 30 -4.425 2.932 -2.151 1.00 0.00 N ATOM 395 CA LEU A 30 -3.134 2.748 -2.792 1.00 0.00 C ATOM 396 C LEU A 30 -2.001 2.814 -1.759 1.00 0.00 C ATOM 397 O LEU A 30 -1.966 3.726 -0.932 1.00 0.00 O ATOM 398 CB LEU A 30 -2.977 3.842 -3.843 1.00 0.00 C ATOM 399 CG LEU A 30 -1.726 3.762 -4.713 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.824 2.580 -5.663 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.532 5.057 -5.487 1.00 0.00 C ATOM 0 H LEU A 30 -4.385 3.426 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.082 1.766 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.850 3.819 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.982 4.807 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.860 3.618 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.926 2.533 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.919 1.658 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.698 2.700 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.635 4.982 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.397 5.232 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.424 5.886 -4.788 1.00 0.00 H new ATOM 413 N CYS A 31 -1.105 1.825 -1.795 1.00 0.00 N ATOM 414 CA CYS A 31 0.017 1.725 -0.845 1.00 0.00 C ATOM 415 C CYS A 31 1.006 2.881 -0.952 1.00 0.00 C ATOM 416 O CYS A 31 1.229 3.415 -2.037 1.00 0.00 O ATOM 417 CB CYS A 31 0.751 0.407 -1.056 1.00 0.00 C ATOM 418 SG CYS A 31 -0.317 -1.055 -0.877 1.00 0.00 S ATOM 0 H CYS A 31 -1.132 1.070 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.415 1.771 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.195 0.403 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.571 0.338 -0.341 1.00 0.00 H new ATOM 423 N LYS A 32 1.603 3.252 0.186 1.00 0.00 N ATOM 424 CA LYS A 32 2.576 4.337 0.238 1.00 0.00 C ATOM 425 C LYS A 32 3.836 3.892 0.987 1.00 0.00 C ATOM 426 O LYS A 32 3.757 3.098 1.919 1.00 0.00 O ATOM 427 CB LYS A 32 1.951 5.577 0.880 1.00 0.00 C ATOM 428 CG LYS A 32 0.922 6.251 -0.015 1.00 0.00 C ATOM 429 CD LYS A 32 1.428 6.347 -1.448 1.00 0.00 C ATOM 430 CE LYS A 32 0.304 6.591 -2.430 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.341 7.918 -2.223 1.00 0.00 N ATOM 0 H LYS A 32 1.424 2.810 1.088 1.00 0.00 H new ATOM 0 HA LYS A 32 2.871 4.598 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.478 5.294 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.738 6.291 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.011 5.688 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.702 7.249 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.156 7.155 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.947 5.425 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.692 6.531 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.444 5.805 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.094 8.051 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.749 7.960 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.370 8.670 -2.329 1.00 0.00 H new ATOM 445 N ARG A 33 4.993 4.357 0.515 1.00 0.00 N ATOM 446 CA ARG A 33 6.298 3.964 1.069 1.00 0.00 C ATOM 447 C ARG A 33 6.644 4.697 2.374 1.00 0.00 C ATOM 448 O ARG A 33 5.787 4.907 3.225 1.00 0.00 O ATOM 449 CB ARG A 33 7.384 4.224 0.012 1.00 0.00 C ATOM 450 CG ARG A 33 8.547 3.241 0.053 1.00 0.00 C ATOM 451 CD ARG A 33 9.527 3.488 -1.089 1.00 0.00 C ATOM 452 NE ARG A 33 10.462 4.584 -0.812 1.00 0.00 N ATOM 453 CZ ARG A 33 11.566 4.471 -0.071 1.00 0.00 C ATOM 454 NH1 ARG A 33 11.887 3.307 0.483 1.00 0.00 N ATOM 455 NH2 ARG A 33 12.358 5.522 0.105 1.00 0.00 N ATOM 0 H ARG A 33 5.057 5.016 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 33 6.246 2.904 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.928 4.188 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.772 5.234 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.067 3.331 1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.166 2.222 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.091 2.575 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.969 3.714 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 33 10.253 5.498 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.288 2.493 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.732 3.227 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.123 6.416 -0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.202 5.436 0.671 1.00 0.00 H new ATOM 469 N ASN A 34 7.920 5.072 2.513 1.00 0.00 N ATOM 470 CA ASN A 34 8.433 5.769 3.694 1.00 0.00 C ATOM 471 C ASN A 34 9.663 6.573 3.312 1.00 0.00 C ATOM 472 O ASN A 34 10.367 6.208 2.374 1.00 0.00 O ATOM 473 CB ASN A 34 8.773 4.781 4.792 1.00 0.00 C ATOM 474 CG ASN A 34 7.617 4.518 5.728 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.044 5.441 6.303 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.288 3.251 5.898 1.00 0.00 N ATOM 0 H ASN A 34 8.631 4.898 1.802 1.00 0.00 H new ATOM 0 HA ASN A 34 7.663 6.443 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.090 3.840 4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.619 5.160 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.527 3.002 6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.795 2.521 5.397 1.00 0.00 H new ATOM 483 N GLY A 35 9.877 7.701 3.985 1.00 0.00 N ATOM 484 CA GLY A 35 10.986 8.584 3.639 1.00 0.00 C ATOM 485 C GLY A 35 10.543 9.487 2.508 1.00 0.00 C ATOM 486 O GLY A 35 10.733 10.701 2.527 1.00 0.00 O ATOM 0 H GLY A 35 9.303 8.022 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.282 9.177 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.856 8.000 3.339 1.00 0.00 H new ATOM 490 N ASP A 36 9.875 8.846 1.572 1.00 0.00 N ATOM 491 CA ASP A 36 9.267 9.461 0.408 1.00 0.00 C ATOM 492 C ASP A 36 8.000 8.657 0.079 1.00 0.00 C ATOM 493 O ASP A 36 7.826 8.188 -1.042 1.00 0.00 O ATOM 494 CB ASP A 36 10.245 9.453 -0.780 1.00 0.00 C ATOM 495 CG ASP A 36 10.910 8.099 -0.994 1.00 0.00 C ATOM 496 OD1 ASP A 36 10.216 7.124 -1.357 1.00 0.00 O ATOM 497 OD2 ASP A 36 12.132 7.992 -0.771 1.00 0.00 O ATOM 0 H ASP A 36 9.734 7.836 1.602 1.00 0.00 H new ATOM 0 HA ASP A 36 9.015 10.502 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.710 9.736 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.014 10.208 -0.615 1.00 0.00 H new ATOM 502 N PRO A 37 7.108 8.443 1.089 1.00 0.00 N ATOM 503 CA PRO A 37 5.880 7.638 0.938 1.00 0.00 C ATOM 504 C PRO A 37 5.064 7.942 -0.306 1.00 0.00 C ATOM 505 O PRO A 37 4.220 8.838 -0.340 1.00 0.00 O ATOM 506 CB PRO A 37 5.134 7.941 2.241 1.00 0.00 C ATOM 507 CG PRO A 37 6.270 8.003 3.186 1.00 0.00 C ATOM 508 CD PRO A 37 7.223 8.921 2.490 1.00 0.00 C ATOM 0 HA PRO A 37 6.096 6.580 0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.580 8.879 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.419 7.161 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.968 8.393 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.707 7.020 3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.936 9.968 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.239 8.829 2.875 1.00 0.00 H new