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= 0.41 (180deg=-0.118) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.0033 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.911 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0474 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 40:sc= 0.0362 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 138:sc=-0.000546 (180deg=-0.138) USER MOD Single : A 34 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.583 7.359 -0.635 1.00 0.00 N ATOM 2 CA THR A 1 4.810 7.672 -1.790 1.00 0.00 C ATOM 3 C THR A 1 4.255 6.348 -2.268 1.00 0.00 C ATOM 4 O THR A 1 4.596 5.311 -1.700 1.00 0.00 O ATOM 5 CB THR A 1 5.650 8.361 -2.890 1.00 0.00 C ATOM 6 OG1 THR A 1 4.799 8.821 -3.946 1.00 0.00 O ATOM 7 CG2 THR A 1 6.704 7.421 -3.456 1.00 0.00 C ATOM 0 H3 THR A 1 6.567 7.661 -0.783 1.00 0.00 H new ATOM 0 HA THR A 1 4.020 8.385 -1.552 1.00 0.00 H new ATOM 0 HB THR A 1 6.159 9.210 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.341 9.257 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 1 7.276 7.938 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.375 7.103 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.217 6.548 -3.890 1.00 0.00 H new ATOM 15 N PHE A 2 3.393 6.379 -3.250 1.00 0.00 N ATOM 16 CA PHE A 2 2.769 5.170 -3.772 1.00 0.00 C ATOM 17 C PHE A 2 3.799 4.067 -4.055 1.00 0.00 C ATOM 18 O PHE A 2 4.558 4.139 -5.018 1.00 0.00 O ATOM 19 CB PHE A 2 1.984 5.538 -5.030 1.00 0.00 C ATOM 20 CG PHE A 2 1.536 4.373 -5.876 1.00 0.00 C ATOM 21 CD1 PHE A 2 0.831 3.315 -5.322 1.00 0.00 C ATOM 22 CD2 PHE A 2 1.817 4.345 -7.234 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.414 2.256 -6.105 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.404 3.288 -8.021 1.00 0.00 C ATOM 25 CZ PHE A 2 0.702 2.242 -7.456 1.00 0.00 C ATOM 0 H PHE A 2 3.097 7.237 -3.717 1.00 0.00 H new ATOM 0 HA PHE A 2 2.092 4.763 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.105 6.110 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.601 6.195 -5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.605 3.319 -4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.366 5.160 -7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.137 1.440 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.630 3.280 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.378 1.414 -8.069 1.00 0.00 H new ATOM 35 N CYS A 3 3.821 3.065 -3.171 1.00 0.00 N ATOM 36 CA CYS A 3 4.755 1.941 -3.279 1.00 0.00 C ATOM 37 C CYS A 3 4.592 1.199 -4.603 1.00 0.00 C ATOM 38 O CYS A 3 5.521 1.124 -5.404 1.00 0.00 O ATOM 39 CB CYS A 3 4.533 0.943 -2.136 1.00 0.00 C ATOM 40 SG CYS A 3 4.056 1.685 -0.542 1.00 0.00 S ATOM 0 H CYS A 3 3.197 3.010 -2.366 1.00 0.00 H new ATOM 0 HA CYS A 3 5.760 2.359 -3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.759 0.237 -2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.449 0.370 -1.992 1.00 0.00 H new ATOM 45 N GLY A 4 3.409 0.640 -4.808 1.00 0.00 N ATOM 46 CA GLY A 4 3.128 -0.104 -6.020 1.00 0.00 C ATOM 47 C GLY A 4 1.877 -0.935 -5.863 1.00 0.00 C ATOM 48 O GLY A 4 1.021 -0.966 -6.744 1.00 0.00 O ATOM 0 H GLY A 4 2.631 0.689 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.009 0.586 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.972 -0.751 -6.258 1.00 0.00 H new ATOM 52 N GLU A 5 1.774 -1.594 -4.718 1.00 0.00 N ATOM 53 CA GLU A 5 0.621 -2.425 -4.402 1.00 0.00 C ATOM 54 C GLU A 5 -0.596 -1.568 -4.071 1.00 0.00 C ATOM 55 O GLU A 5 -0.497 -0.344 -3.941 1.00 0.00 O ATOM 56 CB GLU A 5 0.934 -3.326 -3.204 1.00 0.00 C ATOM 57 CG GLU A 5 1.689 -4.594 -3.558 1.00 0.00 C ATOM 58 CD GLU A 5 0.820 -5.605 -4.279 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.311 -5.249 -4.673 1.00 0.00 O ATOM 60 OE2 GLU A 5 1.258 -6.757 -4.443 1.00 0.00 O ATOM 0 H GLU A 5 2.483 -1.568 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 5 0.399 -3.035 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.519 -2.759 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.001 -3.598 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.543 -4.341 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.085 -5.044 -2.647 1.00 0.00 H new ATOM 67 N THR A 6 -1.731 -2.230 -3.894 1.00 0.00 N ATOM 68 CA THR A 6 -2.972 -1.563 -3.534 1.00 0.00 C ATOM 69 C THR A 6 -3.707 -2.403 -2.495 1.00 0.00 C ATOM 70 O THR A 6 -3.758 -3.626 -2.598 1.00 0.00 O ATOM 71 CB THR A 6 -3.894 -1.326 -4.754 1.00 0.00 C ATOM 72 OG1 THR A 6 -4.119 -2.552 -5.467 1.00 0.00 O ATOM 73 CG2 THR A 6 -3.303 -0.286 -5.697 1.00 0.00 C ATOM 0 H THR A 6 -1.816 -3.241 -3.996 1.00 0.00 H new ATOM 0 HA THR A 6 -2.716 -0.584 -3.129 1.00 0.00 H new ATOM 0 HB THR A 6 -4.846 -0.953 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.705 -2.382 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.973 -0.141 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.179 0.658 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.333 -0.630 -6.056 1.00 0.00 H new ATOM 81 N CYS A 7 -4.263 -1.760 -1.487 1.00 0.00 N ATOM 82 CA CYS A 7 -4.983 -2.477 -0.447 1.00 0.00 C ATOM 83 C CYS A 7 -6.453 -2.668 -0.847 1.00 0.00 C ATOM 84 O CYS A 7 -7.346 -2.093 -0.237 1.00 0.00 O ATOM 85 CB CYS A 7 -4.860 -1.737 0.897 1.00 0.00 C ATOM 86 SG CYS A 7 -5.163 0.060 0.795 1.00 0.00 S ATOM 0 H CYS A 7 -4.232 -0.748 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.538 -3.465 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.565 -2.173 1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.861 -1.903 1.300 1.00 0.00 H new ATOM 91 N ARG A 8 -6.675 -3.466 -1.902 1.00 0.00 N ATOM 92 CA ARG A 8 -8.023 -3.738 -2.439 1.00 0.00 C ATOM 93 C ARG A 8 -8.902 -4.544 -1.478 1.00 0.00 C ATOM 94 O ARG A 8 -9.058 -4.202 -0.312 1.00 0.00 O ATOM 95 CB ARG A 8 -7.933 -4.474 -3.792 1.00 0.00 C ATOM 96 CG ARG A 8 -6.971 -5.657 -3.816 1.00 0.00 C ATOM 97 CD ARG A 8 -5.598 -5.245 -4.325 1.00 0.00 C ATOM 98 NE ARG A 8 -4.597 -6.301 -4.156 1.00 0.00 N ATOM 99 CZ ARG A 8 -3.305 -6.155 -4.469 1.00 0.00 C ATOM 100 NH1 ARG A 8 -2.869 -5.026 -5.009 1.00 0.00 N ATOM 101 NH2 ARG A 8 -2.440 -7.140 -4.250 1.00 0.00 N ATOM 0 H ARG A 8 -5.928 -3.942 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.495 -2.765 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.928 -4.828 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.628 -3.761 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.879 -6.074 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.376 -6.444 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.669 -4.982 -5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.271 -4.351 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.902 -7.198 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.520 -4.262 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.882 -4.921 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.759 -8.017 -3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.457 -7.018 -4.492 1.00 0.00 H new ATOM 115 N VAL A 9 -9.475 -5.633 -1.985 1.00 0.00 N ATOM 116 CA VAL A 9 -10.343 -6.497 -1.183 1.00 0.00 C ATOM 117 C VAL A 9 -9.480 -7.534 -0.469 1.00 0.00 C ATOM 118 O VAL A 9 -9.879 -8.667 -0.215 1.00 0.00 O ATOM 119 CB VAL A 9 -11.409 -7.199 -2.059 1.00 0.00 C ATOM 120 CG1 VAL A 9 -12.555 -7.726 -1.206 1.00 0.00 C ATOM 121 CG2 VAL A 9 -11.932 -6.253 -3.132 1.00 0.00 C ATOM 0 H VAL A 9 -9.354 -5.940 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.873 -5.884 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.934 -8.048 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.290 -8.215 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.170 -8.444 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.027 -6.897 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.680 -6.766 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.384 -5.381 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.107 -5.934 -3.769 1.00 0.00 H new ATOM 131 N ILE A 10 -8.287 -7.069 -0.154 1.00 0.00 N ATOM 132 CA ILE A 10 -7.237 -7.800 0.538 1.00 0.00 C ATOM 133 C ILE A 10 -6.136 -6.789 0.814 1.00 0.00 C ATOM 134 O ILE A 10 -5.082 -6.821 0.180 1.00 0.00 O ATOM 135 CB ILE A 10 -6.643 -8.976 -0.285 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.663 -8.658 -1.787 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.372 -10.280 0.014 1.00 0.00 C ATOM 138 CD1 ILE A 10 -5.981 -9.702 -2.647 1.00 0.00 C ATOM 0 H ILE A 10 -8.006 -6.116 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.657 -8.249 1.438 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.603 -9.105 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.698 -8.554 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.179 -7.695 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.934 -11.085 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.278 -10.515 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.426 -10.174 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.038 -9.405 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.936 -9.791 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.478 -10.663 -2.515 1.00 0.00 H new ATOM 150 N PRO A 11 -6.405 -5.810 1.701 1.00 0.00 N ATOM 151 CA PRO A 11 -5.464 -4.732 1.995 1.00 0.00 C ATOM 152 C PRO A 11 -4.161 -5.169 2.629 1.00 0.00 C ATOM 153 O PRO A 11 -3.725 -6.313 2.510 1.00 0.00 O ATOM 154 CB PRO A 11 -6.221 -3.837 2.976 1.00 0.00 C ATOM 155 CG PRO A 11 -7.644 -4.156 2.755 1.00 0.00 C ATOM 156 CD PRO A 11 -7.673 -5.623 2.438 1.00 0.00 C ATOM 0 HA PRO A 11 -5.162 -4.254 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.925 -4.039 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.018 -2.783 2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.240 -3.932 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.057 -3.568 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.713 -6.233 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.539 -5.891 1.833 1.00 0.00 H new ATOM 164 N VAL A 12 -3.550 -4.206 3.304 1.00 0.00 N ATOM 165 CA VAL A 12 -2.285 -4.393 3.976 1.00 0.00 C ATOM 166 C VAL A 12 -1.236 -4.870 2.985 1.00 0.00 C ATOM 167 O VAL A 12 -0.838 -6.033 2.989 1.00 0.00 O ATOM 168 CB VAL A 12 -2.376 -5.374 5.168 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.096 -5.344 5.994 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.583 -5.057 6.040 1.00 0.00 C ATOM 0 H VAL A 12 -3.929 -3.264 3.398 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.996 -3.425 4.386 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.500 -6.380 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.184 -6.042 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.252 -5.631 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.936 -4.337 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.626 -5.760 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.496 -4.042 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.493 -5.142 5.446 1.00 0.00 H new ATOM 180 N CYS A 13 -0.835 -3.942 2.127 1.00 0.00 N ATOM 181 CA CYS A 13 0.153 -4.178 1.072 1.00 0.00 C ATOM 182 C CYS A 13 1.296 -5.065 1.573 1.00 0.00 C ATOM 183 O CYS A 13 2.169 -4.599 2.294 1.00 0.00 O ATOM 184 CB CYS A 13 0.717 -2.829 0.640 1.00 0.00 C ATOM 185 SG CYS A 13 -0.462 -1.457 0.866 1.00 0.00 S ATOM 0 H CYS A 13 -1.191 -2.986 2.141 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.329 -4.687 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.622 -2.620 1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.007 -2.882 -0.409 1.00 0.00 H new ATOM 190 N THR A 14 1.253 -6.345 1.224 1.00 0.00 N ATOM 191 CA THR A 14 2.248 -7.311 1.681 1.00 0.00 C ATOM 192 C THR A 14 3.572 -7.250 0.916 1.00 0.00 C ATOM 193 O THR A 14 4.632 -7.484 1.494 1.00 0.00 O ATOM 194 CB THR A 14 1.677 -8.736 1.589 1.00 0.00 C ATOM 195 OG1 THR A 14 0.870 -8.853 0.410 1.00 0.00 O ATOM 196 CG2 THR A 14 0.845 -9.070 2.818 1.00 0.00 C ATOM 0 H THR A 14 0.533 -6.742 0.620 1.00 0.00 H new ATOM 0 HA THR A 14 2.470 -7.044 2.714 1.00 0.00 H new ATOM 0 HB THR A 14 2.508 -9.440 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.508 -9.762 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.453 -10.083 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.468 -9.000 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.017 -8.366 2.899 1.00 0.00 H new ATOM 204 N TYR A 15 3.527 -6.941 -0.372 1.00 0.00 N ATOM 205 CA TYR A 15 4.746 -6.873 -1.171 1.00 0.00 C ATOM 206 C TYR A 15 5.583 -5.686 -0.723 1.00 0.00 C ATOM 207 O TYR A 15 6.794 -5.780 -0.541 1.00 0.00 O ATOM 208 CB TYR A 15 4.410 -6.758 -2.661 1.00 0.00 C ATOM 209 CG TYR A 15 5.623 -6.794 -3.565 1.00 0.00 C ATOM 210 CD1 TYR A 15 6.577 -7.797 -3.442 1.00 0.00 C ATOM 211 CD2 TYR A 15 5.814 -5.825 -4.544 1.00 0.00 C ATOM 212 CE1 TYR A 15 7.687 -7.832 -4.265 1.00 0.00 C ATOM 213 CE2 TYR A 15 6.921 -5.855 -5.371 1.00 0.00 C ATOM 214 CZ TYR A 15 7.854 -6.861 -5.228 1.00 0.00 C ATOM 215 OH TYR A 15 8.958 -6.893 -6.050 1.00 0.00 O ATOM 0 H TYR A 15 2.669 -6.735 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 15 5.317 -7.790 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.739 -7.572 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.869 -5.827 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.449 -8.562 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.085 -5.036 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.420 -8.617 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.055 -5.094 -6.126 1.00 0.00 H new ATOM 0 HH TYR A 15 8.923 -6.138 -6.674 1.00 0.00 H new ATOM 225 N SER A 16 4.908 -4.573 -0.531 1.00 0.00 N ATOM 226 CA SER A 16 5.550 -3.347 -0.085 1.00 0.00 C ATOM 227 C SER A 16 5.549 -3.264 1.442 1.00 0.00 C ATOM 228 O SER A 16 5.914 -2.241 2.018 1.00 0.00 O ATOM 229 CB SER A 16 4.828 -2.156 -0.715 1.00 0.00 C ATOM 230 OG SER A 16 4.812 -2.272 -2.129 1.00 0.00 O ATOM 0 H SER A 16 3.902 -4.488 -0.678 1.00 0.00 H new ATOM 0 HA SER A 16 6.592 -3.336 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.807 -2.102 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.324 -1.229 -0.426 1.00 0.00 H new ATOM 0 HG SER A 16 3.940 -1.985 -2.471 1.00 0.00 H new ATOM 236 N ALA A 17 5.150 -4.354 2.092 1.00 0.00 N ATOM 237 CA ALA A 17 5.109 -4.394 3.552 1.00 0.00 C ATOM 238 C ALA A 17 6.511 -4.406 4.154 1.00 0.00 C ATOM 239 O ALA A 17 6.683 -4.065 5.320 1.00 0.00 O ATOM 240 CB ALA A 17 4.328 -5.601 4.051 1.00 0.00 C ATOM 0 H ALA A 17 4.852 -5.216 1.635 1.00 0.00 H new ATOM 0 HA ALA A 17 4.600 -3.486 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.316 -5.602 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.305 -5.553 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.802 -6.515 3.693 1.00 0.00 H new ATOM 246 N ALA A 18 7.506 -4.805 3.357 1.00 0.00 N ATOM 247 CA ALA A 18 8.896 -4.857 3.822 1.00 0.00 C ATOM 248 C ALA A 18 9.311 -3.504 4.391 1.00 0.00 C ATOM 249 O ALA A 18 9.929 -3.416 5.449 1.00 0.00 O ATOM 250 CB ALA A 18 9.818 -5.265 2.683 1.00 0.00 C ATOM 0 H ALA A 18 7.376 -5.096 2.388 1.00 0.00 H new ATOM 0 HA ALA A 18 8.975 -5.603 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.847 -5.300 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.529 -6.250 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.740 -4.539 1.874 1.00 0.00 H new ATOM 256 N LEU A 19 8.910 -2.459 3.685 1.00 0.00 N ATOM 257 CA LEU A 19 9.162 -1.085 4.094 1.00 0.00 C ATOM 258 C LEU A 19 8.228 -0.661 5.212 1.00 0.00 C ATOM 259 O LEU A 19 8.545 0.225 6.004 1.00 0.00 O ATOM 260 CB LEU A 19 8.981 -0.142 2.900 1.00 0.00 C ATOM 261 CG LEU A 19 10.251 0.232 2.140 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.080 -0.999 1.802 1.00 0.00 C ATOM 263 CD2 LEU A 19 9.899 0.999 0.876 1.00 0.00 C ATOM 0 H LEU A 19 8.397 -2.540 2.807 1.00 0.00 H new ATOM 0 HA LEU A 19 10.187 -1.030 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.286 -0.605 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.511 0.775 3.255 1.00 0.00 H new ATOM 0 HG LEU A 19 10.854 0.870 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.977 -0.697 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.366 -1.509 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.492 -1.674 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.813 1.260 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.271 0.379 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.361 1.909 1.141 1.00 0.00 H new ATOM 275 N GLY A 20 7.063 -1.274 5.238 1.00 0.00 N ATOM 276 CA GLY A 20 6.063 -0.923 6.213 1.00 0.00 C ATOM 277 C GLY A 20 5.099 0.047 5.581 1.00 0.00 C ATOM 278 O GLY A 20 4.594 0.968 6.227 1.00 0.00 O ATOM 0 H GLY A 20 6.789 -2.016 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.535 -1.814 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.530 -0.476 7.090 1.00 0.00 H new ATOM 282 N CYS A 21 4.884 -0.174 4.288 1.00 0.00 N ATOM 283 CA CYS A 21 4.010 0.649 3.473 1.00 0.00 C ATOM 284 C CYS A 21 2.614 0.771 4.065 1.00 0.00 C ATOM 285 O CYS A 21 1.861 -0.204 4.130 1.00 0.00 O ATOM 286 CB CYS A 21 3.926 0.058 2.059 1.00 0.00 C ATOM 287 SG CYS A 21 5.161 0.706 0.868 1.00 0.00 S ATOM 0 H CYS A 21 5.319 -0.940 3.774 1.00 0.00 H new ATOM 0 HA CYS A 21 4.436 1.652 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.043 -1.024 2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.928 0.246 1.662 1.00 0.00 H new ATOM 292 N THR A 22 2.261 1.985 4.458 1.00 0.00 N ATOM 293 CA THR A 22 0.951 2.249 4.997 1.00 0.00 C ATOM 294 C THR A 22 0.018 2.630 3.869 1.00 0.00 C ATOM 295 O THR A 22 0.303 3.521 3.072 1.00 0.00 O ATOM 296 CB THR A 22 0.955 3.356 6.057 1.00 0.00 C ATOM 297 OG1 THR A 22 1.698 4.492 5.589 1.00 0.00 O ATOM 298 CG2 THR A 22 1.547 2.856 7.366 1.00 0.00 C ATOM 0 H THR A 22 2.871 2.801 4.410 1.00 0.00 H new ATOM 0 HA THR A 22 0.611 1.338 5.490 1.00 0.00 H new ATOM 0 HB THR A 22 -0.078 3.653 6.236 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.504 4.641 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.538 3.661 8.101 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.955 2.020 7.737 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.573 2.528 7.200 1.00 0.00 H new ATOM 306 N CYS A 23 -1.073 1.927 3.783 1.00 0.00 N ATOM 307 CA CYS A 23 -2.039 2.169 2.732 1.00 0.00 C ATOM 308 C CYS A 23 -3.124 3.146 3.180 1.00 0.00 C ATOM 309 O CYS A 23 -2.854 4.108 3.896 1.00 0.00 O ATOM 310 CB CYS A 23 -2.641 0.842 2.275 1.00 0.00 C ATOM 311 SG CYS A 23 -3.319 0.866 0.584 1.00 0.00 S ATOM 0 H CYS A 23 -1.324 1.177 4.427 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.527 2.633 1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.875 0.069 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.434 0.559 2.967 1.00 0.00 H new ATOM 316 N ASP A 24 -4.348 2.879 2.748 1.00 0.00 N ATOM 317 CA ASP A 24 -5.497 3.715 3.085 1.00 0.00 C ATOM 318 C ASP A 24 -6.689 2.821 3.448 1.00 0.00 C ATOM 319 O ASP A 24 -7.258 2.941 4.530 1.00 0.00 O ATOM 320 CB ASP A 24 -5.833 4.613 1.887 1.00 0.00 C ATOM 321 CG ASP A 24 -6.596 5.867 2.269 1.00 0.00 C ATOM 322 OD1 ASP A 24 -7.763 5.755 2.689 1.00 0.00 O ATOM 323 OD2 ASP A 24 -6.024 6.968 2.145 1.00 0.00 O ATOM 0 H ASP A 24 -4.575 2.080 2.156 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.265 4.346 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.908 4.898 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.422 4.043 1.169 1.00 0.00 H new ATOM 328 N ASP A 25 -7.008 1.906 2.527 1.00 0.00 N ATOM 329 CA ASP A 25 -8.095 0.914 2.666 1.00 0.00 C ATOM 330 C ASP A 25 -9.473 1.532 2.768 1.00 0.00 C ATOM 331 O ASP A 25 -9.801 2.290 3.680 1.00 0.00 O ATOM 332 CB ASP A 25 -7.844 -0.069 3.821 1.00 0.00 C ATOM 333 CG ASP A 25 -8.887 -1.179 3.899 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.703 -1.316 2.957 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.857 -1.945 4.885 1.00 0.00 O ATOM 0 H ASP A 25 -6.509 1.827 1.641 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.080 0.348 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.856 -0.514 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.836 0.480 4.762 1.00 0.00 H new ATOM 340 N ARG A 26 -10.254 1.148 1.776 1.00 0.00 N ATOM 341 CA ARG A 26 -11.630 1.556 1.573 1.00 0.00 C ATOM 342 C ARG A 26 -12.132 0.859 0.325 1.00 0.00 C ATOM 343 O ARG A 26 -12.528 1.509 -0.643 1.00 0.00 O ATOM 344 CB ARG A 26 -11.735 3.070 1.416 1.00 0.00 C ATOM 345 CG ARG A 26 -12.039 3.816 2.706 1.00 0.00 C ATOM 346 CD ARG A 26 -11.680 5.291 2.604 1.00 0.00 C ATOM 347 NE ARG A 26 -10.394 5.580 3.236 1.00 0.00 N ATOM 348 CZ ARG A 26 -10.183 5.587 4.554 1.00 0.00 C ATOM 349 NH1 ARG A 26 -11.194 5.413 5.404 1.00 0.00 N ATOM 350 NH2 ARG A 26 -8.958 5.787 5.014 1.00 0.00 N ATOM 0 H ARG A 26 -9.927 0.509 1.052 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.234 1.280 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.798 3.446 1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.515 3.294 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.098 3.715 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.484 3.363 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.644 5.585 1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.460 5.889 3.076 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.603 5.791 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.140 5.273 5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.022 5.420 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.186 5.934 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.786 5.794 6.019 1.00 0.00 H new ATOM 364 N SER A 27 -12.016 -0.474 0.349 1.00 0.00 N ATOM 365 CA SER A 27 -12.353 -1.354 -0.777 1.00 0.00 C ATOM 366 C SER A 27 -11.120 -1.455 -1.659 1.00 0.00 C ATOM 367 O SER A 27 -10.980 -2.369 -2.475 1.00 0.00 O ATOM 368 CB SER A 27 -13.576 -0.874 -1.577 1.00 0.00 C ATOM 369 OG SER A 27 -13.924 -1.805 -2.586 1.00 0.00 O ATOM 0 H SER A 27 -11.679 -0.981 1.167 1.00 0.00 H new ATOM 0 HA SER A 27 -12.638 -2.333 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.421 -0.730 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.361 0.094 -2.030 1.00 0.00 H new ATOM 0 HG SER A 27 -14.705 -1.477 -3.079 1.00 0.00 H new ATOM 375 N ASP A 28 -10.226 -0.506 -1.426 1.00 0.00 N ATOM 376 CA ASP A 28 -8.946 -0.388 -2.092 1.00 0.00 C ATOM 377 C ASP A 28 -8.311 0.897 -1.578 1.00 0.00 C ATOM 378 O ASP A 28 -8.764 1.429 -0.566 1.00 0.00 O ATOM 379 CB ASP A 28 -9.096 -0.371 -3.622 1.00 0.00 C ATOM 380 CG ASP A 28 -7.834 -0.818 -4.356 1.00 0.00 C ATOM 381 OD1 ASP A 28 -6.757 -0.227 -4.131 1.00 0.00 O ATOM 382 OD2 ASP A 28 -7.920 -1.770 -5.160 1.00 0.00 O ATOM 0 H ASP A 28 -10.383 0.231 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.317 -1.250 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.923 -1.021 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.358 0.637 -3.944 1.00 0.00 H new ATOM 387 N GLY A 29 -7.297 1.407 -2.238 1.00 0.00 N ATOM 388 CA GLY A 29 -6.686 2.627 -1.774 1.00 0.00 C ATOM 389 C GLY A 29 -5.474 3.014 -2.563 1.00 0.00 C ATOM 390 O GLY A 29 -5.535 3.189 -3.777 1.00 0.00 O ATOM 0 H GLY A 29 -6.886 1.005 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.417 3.434 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.409 2.512 -0.726 1.00 0.00 H new ATOM 394 N LEU A 30 -4.374 3.182 -1.851 1.00 0.00 N ATOM 395 CA LEU A 30 -3.133 3.597 -2.454 1.00 0.00 C ATOM 396 C LEU A 30 -2.002 3.454 -1.428 1.00 0.00 C ATOM 397 O LEU A 30 -1.855 4.290 -0.532 1.00 0.00 O ATOM 398 CB LEU A 30 -3.316 5.051 -2.903 1.00 0.00 C ATOM 399 CG LEU A 30 -2.419 5.547 -4.039 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.981 5.658 -3.588 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.532 4.631 -5.248 1.00 0.00 C ATOM 0 H LEU A 30 -4.322 3.034 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.869 2.982 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.354 5.183 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.155 5.695 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.759 6.542 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.366 6.013 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.913 6.362 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.625 4.680 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.887 5.000 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.225 3.623 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.565 4.613 -5.596 1.00 0.00 H new ATOM 413 N CYS A 31 -1.229 2.377 -1.552 1.00 0.00 N ATOM 414 CA CYS A 31 -0.128 2.092 -0.628 1.00 0.00 C ATOM 415 C CYS A 31 0.923 3.194 -0.640 1.00 0.00 C ATOM 416 O CYS A 31 1.271 3.725 -1.695 1.00 0.00 O ATOM 417 CB CYS A 31 0.517 0.752 -0.975 1.00 0.00 C ATOM 418 SG CYS A 31 -0.649 -0.647 -0.979 1.00 0.00 S ATOM 0 H CYS A 31 -1.345 1.681 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.547 2.045 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.983 0.827 -1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.313 0.547 -0.260 1.00 0.00 H new ATOM 423 N LYS A 32 1.416 3.545 0.539 1.00 0.00 N ATOM 424 CA LYS A 32 2.414 4.592 0.677 1.00 0.00 C ATOM 425 C LYS A 32 3.672 4.043 1.350 1.00 0.00 C ATOM 426 O LYS A 32 3.585 3.251 2.279 1.00 0.00 O ATOM 427 CB LYS A 32 1.800 5.743 1.466 1.00 0.00 C ATOM 428 CG LYS A 32 2.151 7.119 0.925 1.00 0.00 C ATOM 429 CD LYS A 32 1.781 7.224 -0.554 1.00 0.00 C ATOM 430 CE LYS A 32 0.358 6.762 -0.828 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.652 7.460 0.018 1.00 0.00 N ATOM 0 H LYS A 32 1.137 3.114 1.421 1.00 0.00 H new ATOM 0 HA LYS A 32 2.717 4.961 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.716 5.631 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.130 5.676 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.623 7.885 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.217 7.305 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.895 8.257 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.475 6.624 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.123 6.930 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.290 5.688 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.481 7.703 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.944 6.835 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.236 8.329 0.409 1.00 0.00 H new ATOM 445 N ARG A 33 4.830 4.421 0.817 1.00 0.00 N ATOM 446 CA ARG A 33 6.129 3.921 1.290 1.00 0.00 C ATOM 447 C ARG A 33 6.596 4.558 2.593 1.00 0.00 C ATOM 448 O ARG A 33 5.812 5.125 3.352 1.00 0.00 O ATOM 449 CB ARG A 33 7.199 4.189 0.220 1.00 0.00 C ATOM 450 CG ARG A 33 7.172 3.226 -0.954 1.00 0.00 C ATOM 451 CD ARG A 33 7.393 3.947 -2.282 1.00 0.00 C ATOM 452 NE ARG A 33 8.659 4.689 -2.347 1.00 0.00 N ATOM 453 CZ ARG A 33 9.865 4.130 -2.451 1.00 0.00 C ATOM 454 NH1 ARG A 33 10.002 2.806 -2.456 1.00 0.00 N ATOM 455 NH2 ARG A 33 10.936 4.903 -2.572 1.00 0.00 N ATOM 0 H ARG A 33 4.901 5.083 0.044 1.00 0.00 H new ATOM 0 HA ARG A 33 5.993 2.856 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.072 5.204 -0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.182 4.143 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.943 2.467 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.214 2.707 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.368 3.216 -3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.568 4.638 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 33 8.612 5.707 -2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.179 2.208 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.930 2.390 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.834 5.918 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.862 4.483 -2.652 1.00 0.00 H new ATOM 469 N ASN A 34 7.902 4.436 2.829 1.00 0.00 N ATOM 470 CA ASN A 34 8.563 4.961 4.016 1.00 0.00 C ATOM 471 C ASN A 34 9.956 5.410 3.601 1.00 0.00 C ATOM 472 O ASN A 34 10.509 4.867 2.643 1.00 0.00 O ATOM 473 CB ASN A 34 8.694 3.902 5.103 1.00 0.00 C ATOM 474 CG ASN A 34 7.519 2.939 5.182 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.246 2.189 4.242 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.820 2.941 6.304 1.00 0.00 N ATOM 0 H ASN A 34 8.538 3.961 2.188 1.00 0.00 H new ATOM 0 HA ASN A 34 7.971 5.782 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.606 3.331 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.807 4.399 6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.027 2.309 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.074 3.575 7.062 1.00 0.00 H new ATOM 483 N GLY A 35 10.503 6.431 4.261 1.00 0.00 N ATOM 484 CA GLY A 35 11.809 6.963 3.868 1.00 0.00 C ATOM 485 C GLY A 35 11.616 7.902 2.698 1.00 0.00 C ATOM 486 O GLY A 35 12.115 9.023 2.665 1.00 0.00 O ATOM 0 H GLY A 35 10.071 6.900 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.270 7.490 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.481 6.150 3.594 1.00 0.00 H new ATOM 490 N ASP A 36 10.792 7.417 1.793 1.00 0.00 N ATOM 491 CA ASP A 36 10.342 8.113 0.605 1.00 0.00 C ATOM 492 C ASP A 36 8.866 7.726 0.427 1.00 0.00 C ATOM 493 O ASP A 36 8.473 7.113 -0.567 1.00 0.00 O ATOM 494 CB ASP A 36 11.190 7.699 -0.606 1.00 0.00 C ATOM 495 CG ASP A 36 10.674 8.258 -1.919 1.00 0.00 C ATOM 496 OD1 ASP A 36 10.540 9.489 -2.035 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.408 7.446 -2.837 1.00 0.00 O ATOM 0 H ASP A 36 10.398 6.479 1.870 1.00 0.00 H new ATOM 0 HA ASP A 36 10.447 9.194 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.216 8.035 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.216 6.611 -0.668 1.00 0.00 H new ATOM 502 N PRO A 37 8.038 7.987 1.471 1.00 0.00 N ATOM 503 CA PRO A 37 6.614 7.599 1.500 1.00 0.00 C ATOM 504 C PRO A 37 5.781 8.189 0.375 1.00 0.00 C ATOM 505 O PRO A 37 5.312 9.325 0.433 1.00 0.00 O ATOM 506 CB PRO A 37 6.172 8.082 2.895 1.00 0.00 C ATOM 507 CG PRO A 37 7.433 7.930 3.656 1.00 0.00 C ATOM 508 CD PRO A 37 8.414 8.601 2.759 1.00 0.00 C ATOM 0 HA PRO A 37 6.471 6.530 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.819 9.113 2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.366 7.474 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.380 8.408 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.684 6.883 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.301 9.685 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.447 8.389 3.037 1.00 0.00 H new