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+ 122:sc= 1.12 (180deg=-0.304) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 6 THR OG1 : rot 46:sc= 0.00478 USER MOD Single : A 14 THR OG1 : rot -1:sc= 0.0994 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.124 USER MOD Single : A 27 SER OG : rot -57:sc= 0.159 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0132) USER MOD Single : A 34 ASN : amide:sc= 1.15 K(o=1.2,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.425 7.384 -0.353 1.00 0.00 N ATOM 2 CA THR A 1 4.605 7.652 -1.485 1.00 0.00 C ATOM 3 C THR A 1 4.181 6.301 -2.008 1.00 0.00 C ATOM 4 O THR A 1 4.521 5.283 -1.410 1.00 0.00 O ATOM 5 CB THR A 1 5.350 8.465 -2.568 1.00 0.00 C ATOM 6 OG1 THR A 1 4.420 8.939 -3.554 1.00 0.00 O ATOM 7 CG2 THR A 1 6.428 7.634 -3.248 1.00 0.00 C ATOM 0 H3 THR A 1 6.364 7.808 -0.496 1.00 0.00 H new ATOM 0 HA THR A 1 3.748 8.266 -1.207 1.00 0.00 H new ATOM 0 HB THR A 1 5.830 9.310 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.900 9.454 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.931 8.238 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.154 7.303 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.972 6.765 -3.723 1.00 0.00 H new ATOM 15 N PHE A 2 3.433 6.287 -3.074 1.00 0.00 N ATOM 16 CA PHE A 2 2.942 5.051 -3.651 1.00 0.00 C ATOM 17 C PHE A 2 4.072 4.042 -3.901 1.00 0.00 C ATOM 18 O PHE A 2 4.873 4.199 -4.824 1.00 0.00 O ATOM 19 CB PHE A 2 2.204 5.392 -4.942 1.00 0.00 C ATOM 20 CG PHE A 2 1.915 4.224 -5.851 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.300 3.078 -5.371 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.252 4.284 -7.194 1.00 0.00 C ATOM 23 CE1 PHE A 2 1.029 2.017 -6.211 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.981 3.225 -8.039 1.00 0.00 C ATOM 25 CZ PHE A 2 1.369 2.090 -7.547 1.00 0.00 C ATOM 0 H PHE A 2 3.142 7.127 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 2 2.262 4.569 -2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.260 5.872 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.793 6.123 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.030 3.015 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.732 5.169 -7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.551 1.130 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.248 3.285 -9.084 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.157 1.261 -8.206 1.00 0.00 H new ATOM 35 N CYS A 3 4.130 3.022 -3.045 1.00 0.00 N ATOM 36 CA CYS A 3 5.151 1.978 -3.136 1.00 0.00 C ATOM 37 C CYS A 3 5.076 1.249 -4.473 1.00 0.00 C ATOM 38 O CYS A 3 6.026 1.249 -5.254 1.00 0.00 O ATOM 39 CB CYS A 3 4.963 0.930 -2.030 1.00 0.00 C ATOM 40 SG CYS A 3 4.442 1.584 -0.416 1.00 0.00 S ATOM 0 H CYS A 3 3.475 2.896 -2.273 1.00 0.00 H new ATOM 0 HA CYS A 3 6.116 2.474 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.223 0.203 -2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.902 0.392 -1.899 1.00 0.00 H new ATOM 45 N GLY A 4 3.938 0.611 -4.697 1.00 0.00 N ATOM 46 CA GLY A 4 3.704 -0.155 -5.904 1.00 0.00 C ATOM 47 C GLY A 4 2.531 -1.082 -5.692 1.00 0.00 C ATOM 48 O GLY A 4 1.694 -1.271 -6.571 1.00 0.00 O ATOM 0 H GLY A 4 3.153 0.612 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.505 0.515 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.594 -0.730 -6.161 1.00 0.00 H new ATOM 52 N GLU A 5 2.479 -1.632 -4.485 1.00 0.00 N ATOM 53 CA GLU A 5 1.415 -2.531 -4.063 1.00 0.00 C ATOM 54 C GLU A 5 0.075 -1.815 -3.992 1.00 0.00 C ATOM 55 O GLU A 5 0.011 -0.581 -4.001 1.00 0.00 O ATOM 56 CB GLU A 5 1.742 -3.083 -2.681 1.00 0.00 C ATOM 57 CG GLU A 5 2.525 -4.373 -2.698 1.00 0.00 C ATOM 58 CD GLU A 5 1.618 -5.568 -2.524 1.00 0.00 C ATOM 59 OE1 GLU A 5 0.732 -5.765 -3.372 1.00 0.00 O ATOM 60 OE2 GLU A 5 1.782 -6.288 -1.516 1.00 0.00 O ATOM 0 H GLU A 5 3.182 -1.464 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 5 1.344 -3.334 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.309 -2.334 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.811 -3.243 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.067 -4.459 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.269 -4.360 -1.902 1.00 0.00 H new ATOM 67 N THR A 6 -0.988 -2.594 -3.870 1.00 0.00 N ATOM 68 CA THR A 6 -2.326 -2.045 -3.747 1.00 0.00 C ATOM 69 C THR A 6 -3.153 -2.853 -2.753 1.00 0.00 C ATOM 70 O THR A 6 -3.458 -4.024 -2.977 1.00 0.00 O ATOM 71 CB THR A 6 -3.059 -1.999 -5.103 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.794 -3.191 -5.852 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.645 -0.778 -5.914 1.00 0.00 C ATOM 0 H THR A 6 -0.948 -3.613 -3.854 1.00 0.00 H new ATOM 0 HA THR A 6 -2.214 -1.023 -3.384 1.00 0.00 H new ATOM 0 HB THR A 6 -4.128 -1.930 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.887 -3.972 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.179 -0.774 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.888 0.128 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.572 -0.812 -6.101 1.00 0.00 H new ATOM 81 N CYS A 7 -3.523 -2.212 -1.657 1.00 0.00 N ATOM 82 CA CYS A 7 -4.327 -2.853 -0.626 1.00 0.00 C ATOM 83 C CYS A 7 -5.803 -2.823 -1.032 1.00 0.00 C ATOM 84 O CYS A 7 -6.585 -2.031 -0.514 1.00 0.00 O ATOM 85 CB CYS A 7 -4.111 -2.169 0.738 1.00 0.00 C ATOM 86 SG CYS A 7 -4.234 -0.354 0.699 1.00 0.00 S ATOM 0 H CYS A 7 -3.278 -1.242 -1.456 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.015 -3.892 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.846 -2.555 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.127 -2.446 1.118 1.00 0.00 H new ATOM 91 N ARG A 8 -6.156 -3.668 -2.001 1.00 0.00 N ATOM 92 CA ARG A 8 -7.520 -3.735 -2.530 1.00 0.00 C ATOM 93 C ARG A 8 -8.498 -4.441 -1.576 1.00 0.00 C ATOM 94 O ARG A 8 -8.759 -3.953 -0.481 1.00 0.00 O ATOM 95 CB ARG A 8 -7.508 -4.390 -3.914 1.00 0.00 C ATOM 96 CG ARG A 8 -7.485 -3.377 -5.039 1.00 0.00 C ATOM 97 CD ARG A 8 -7.370 -4.035 -6.407 1.00 0.00 C ATOM 98 NE ARG A 8 -8.189 -5.253 -6.545 1.00 0.00 N ATOM 99 CZ ARG A 8 -9.531 -5.300 -6.486 1.00 0.00 C ATOM 100 NH1 ARG A 8 -10.250 -4.214 -6.226 1.00 0.00 N ATOM 101 NH2 ARG A 8 -10.156 -6.458 -6.676 1.00 0.00 N ATOM 0 H ARG A 8 -5.509 -4.323 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.888 -2.713 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.636 -5.039 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.388 -5.024 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.394 -2.776 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.647 -2.696 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.668 -3.318 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.326 -4.286 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.696 -6.133 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.785 -3.320 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.267 -4.273 -6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.617 -7.303 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.174 -6.501 -6.633 1.00 0.00 H new ATOM 115 N VAL A 9 -9.048 -5.589 -1.988 1.00 0.00 N ATOM 116 CA VAL A 9 -10.001 -6.315 -1.152 1.00 0.00 C ATOM 117 C VAL A 9 -9.268 -7.263 -0.216 1.00 0.00 C ATOM 118 O VAL A 9 -9.839 -8.200 0.339 1.00 0.00 O ATOM 119 CB VAL A 9 -11.012 -7.109 -2.008 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.890 -6.161 -2.813 1.00 0.00 C ATOM 121 CG2 VAL A 9 -10.294 -8.086 -2.931 1.00 0.00 C ATOM 0 H VAL A 9 -8.850 -6.029 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.552 -5.580 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.649 -7.684 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.596 -6.738 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.438 -5.508 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.265 -5.558 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.028 -8.633 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.628 -7.536 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.712 -8.789 -2.335 1.00 0.00 H new ATOM 131 N ILE A 10 -7.998 -6.962 -0.048 1.00 0.00 N ATOM 132 CA ILE A 10 -7.082 -7.687 0.812 1.00 0.00 C ATOM 133 C ILE A 10 -5.925 -6.751 1.118 1.00 0.00 C ATOM 134 O ILE A 10 -4.827 -6.914 0.590 1.00 0.00 O ATOM 135 CB ILE A 10 -6.539 -8.986 0.158 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.297 -8.780 -1.345 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.483 -10.156 0.404 1.00 0.00 C ATOM 138 CD1 ILE A 10 -5.684 -9.979 -2.037 1.00 0.00 C ATOM 0 H ILE A 10 -7.557 -6.175 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.613 -7.996 1.712 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.583 -9.225 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.245 -8.540 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.643 -7.919 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.080 -11.054 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.586 -10.321 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.460 -9.931 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.544 -9.756 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.720 -10.207 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.347 -10.838 -1.932 1.00 0.00 H new ATOM 150 N PRO A 11 -6.185 -5.693 1.911 1.00 0.00 N ATOM 151 CA PRO A 11 -5.184 -4.676 2.223 1.00 0.00 C ATOM 152 C PRO A 11 -3.938 -5.184 2.926 1.00 0.00 C ATOM 153 O PRO A 11 -3.666 -6.380 2.992 1.00 0.00 O ATOM 154 CB PRO A 11 -5.926 -3.697 3.132 1.00 0.00 C ATOM 155 CG PRO A 11 -7.348 -3.882 2.784 1.00 0.00 C ATOM 156 CD PRO A 11 -7.493 -5.354 2.509 1.00 0.00 C ATOM 0 HA PRO A 11 -4.800 -4.248 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.743 -3.914 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.604 -2.670 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.998 -3.567 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.621 -3.289 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.683 -5.921 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.318 -5.561 1.827 1.00 0.00 H new ATOM 164 N VAL A 12 -3.186 -4.224 3.436 1.00 0.00 N ATOM 165 CA VAL A 12 -1.940 -4.476 4.127 1.00 0.00 C ATOM 166 C VAL A 12 -0.908 -5.007 3.147 1.00 0.00 C ATOM 167 O VAL A 12 -0.521 -6.174 3.187 1.00 0.00 O ATOM 168 CB VAL A 12 -2.085 -5.445 5.327 1.00 0.00 C ATOM 169 CG1 VAL A 12 -0.803 -5.478 6.151 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.269 -5.058 6.203 1.00 0.00 C ATOM 0 H VAL A 12 -3.430 -3.235 3.379 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.612 -3.523 4.541 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.268 -6.443 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.926 -6.164 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.023 -5.814 5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.588 -4.479 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.347 -5.755 7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.123 -4.048 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.185 -5.094 5.613 1.00 0.00 H new ATOM 180 N CYS A 13 -0.505 -4.107 2.259 1.00 0.00 N ATOM 181 CA CYS A 13 0.477 -4.374 1.204 1.00 0.00 C ATOM 182 C CYS A 13 1.623 -5.242 1.735 1.00 0.00 C ATOM 183 O CYS A 13 2.499 -4.753 2.443 1.00 0.00 O ATOM 184 CB CYS A 13 1.014 -3.026 0.735 1.00 0.00 C ATOM 185 SG CYS A 13 -0.197 -1.672 0.949 1.00 0.00 S ATOM 0 H CYS A 13 -0.856 -3.149 2.248 1.00 0.00 H new ATOM 0 HA CYS A 13 0.011 -4.916 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.921 -2.788 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.293 -3.096 -0.316 1.00 0.00 H new ATOM 190 N THR A 14 1.567 -6.533 1.432 1.00 0.00 N ATOM 191 CA THR A 14 2.549 -7.498 1.919 1.00 0.00 C ATOM 192 C THR A 14 3.875 -7.498 1.139 1.00 0.00 C ATOM 193 O THR A 14 4.931 -7.762 1.715 1.00 0.00 O ATOM 194 CB THR A 14 1.943 -8.913 1.901 1.00 0.00 C ATOM 195 OG1 THR A 14 0.643 -8.883 2.507 1.00 0.00 O ATOM 196 CG2 THR A 14 2.825 -9.903 2.648 1.00 0.00 C ATOM 0 H THR A 14 0.841 -6.942 0.843 1.00 0.00 H new ATOM 0 HA THR A 14 2.793 -7.190 2.936 1.00 0.00 H new ATOM 0 HB THR A 14 1.868 -9.238 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.443 -7.972 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.369 -10.892 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.808 -9.941 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.931 -9.585 3.685 1.00 0.00 H new ATOM 204 N TYR A 15 3.839 -7.211 -0.154 1.00 0.00 N ATOM 205 CA TYR A 15 5.062 -7.204 -0.952 1.00 0.00 C ATOM 206 C TYR A 15 5.929 -6.023 -0.552 1.00 0.00 C ATOM 207 O TYR A 15 7.136 -6.148 -0.352 1.00 0.00 O ATOM 208 CB TYR A 15 4.734 -7.146 -2.447 1.00 0.00 C ATOM 209 CG TYR A 15 5.950 -7.219 -3.346 1.00 0.00 C ATOM 210 CD1 TYR A 15 6.892 -8.230 -3.193 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.153 -6.279 -4.347 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.001 -8.300 -4.014 1.00 0.00 C ATOM 213 CE2 TYR A 15 7.260 -6.343 -5.172 1.00 0.00 C ATOM 214 CZ TYR A 15 8.181 -7.355 -5.002 1.00 0.00 C ATOM 215 OH TYR A 15 9.284 -7.422 -5.821 1.00 0.00 O ATOM 0 H TYR A 15 2.989 -6.982 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 15 5.610 -8.127 -0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.062 -7.968 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.196 -6.221 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.755 -8.972 -2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.434 -5.485 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.724 -9.092 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.403 -5.604 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 15 9.259 -6.683 -6.464 1.00 0.00 H new ATOM 225 N SER A 16 5.292 -4.879 -0.411 1.00 0.00 N ATOM 226 CA SER A 16 5.981 -3.664 -0.009 1.00 0.00 C ATOM 227 C SER A 16 5.970 -3.530 1.515 1.00 0.00 C ATOM 228 O SER A 16 6.352 -2.497 2.065 1.00 0.00 O ATOM 229 CB SER A 16 5.332 -2.453 -0.687 1.00 0.00 C ATOM 230 OG SER A 16 5.392 -2.574 -2.099 1.00 0.00 O ATOM 0 H SER A 16 4.291 -4.762 -0.569 1.00 0.00 H new ATOM 0 HA SER A 16 7.022 -3.712 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.293 -2.366 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.839 -1.540 -0.374 1.00 0.00 H new ATOM 0 HG SER A 16 4.836 -1.880 -2.511 1.00 0.00 H new ATOM 236 N ALA A 17 5.537 -4.593 2.192 1.00 0.00 N ATOM 237 CA ALA A 17 5.474 -4.603 3.653 1.00 0.00 C ATOM 238 C ALA A 17 6.861 -4.539 4.280 1.00 0.00 C ATOM 239 O ALA A 17 7.001 -4.098 5.416 1.00 0.00 O ATOM 240 CB ALA A 17 4.737 -5.830 4.163 1.00 0.00 C ATOM 0 H ALA A 17 5.225 -5.459 1.752 1.00 0.00 H new ATOM 0 HA ALA A 17 4.923 -3.710 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.706 -5.809 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.720 -5.832 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.255 -6.730 3.832 1.00 0.00 H new ATOM 246 N ALA A 18 7.880 -4.983 3.541 1.00 0.00 N ATOM 247 CA ALA A 18 9.260 -4.968 4.038 1.00 0.00 C ATOM 248 C ALA A 18 9.640 -3.565 4.500 1.00 0.00 C ATOM 249 O ALA A 18 10.262 -3.380 5.541 1.00 0.00 O ATOM 250 CB ALA A 18 10.216 -5.454 2.959 1.00 0.00 C ATOM 0 H ALA A 18 7.777 -5.357 2.598 1.00 0.00 H new ATOM 0 HA ALA A 18 9.332 -5.643 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.236 -5.437 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.953 -6.472 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.145 -4.801 2.089 1.00 0.00 H new ATOM 256 N LEU A 19 9.216 -2.584 3.719 1.00 0.00 N ATOM 257 CA LEU A 19 9.446 -1.177 4.024 1.00 0.00 C ATOM 258 C LEU A 19 8.484 -0.640 5.055 1.00 0.00 C ATOM 259 O LEU A 19 8.648 0.475 5.534 1.00 0.00 O ATOM 260 CB LEU A 19 9.331 -0.333 2.762 1.00 0.00 C ATOM 261 CG LEU A 19 10.647 -0.004 2.071 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.515 -1.243 1.904 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.390 0.649 0.723 1.00 0.00 C ATOM 0 H LEU A 19 8.701 -2.740 2.853 1.00 0.00 H new ATOM 0 HA LEU A 19 10.454 -1.114 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.690 -0.856 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.830 0.601 3.015 1.00 0.00 H new ATOM 0 HG LEU A 19 11.188 0.698 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.446 -0.971 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.737 -1.667 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.985 -1.980 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.341 0.878 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.819 -0.032 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.825 1.570 0.867 1.00 0.00 H new ATOM 275 N GLY A 20 7.466 -1.410 5.357 1.00 0.00 N ATOM 276 CA GLY A 20 6.463 -0.969 6.293 1.00 0.00 C ATOM 277 C GLY A 20 5.458 -0.101 5.584 1.00 0.00 C ATOM 278 O GLY A 20 4.899 0.830 6.160 1.00 0.00 O ATOM 0 H GLY A 20 7.312 -2.341 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.965 -1.829 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.929 -0.413 7.106 1.00 0.00 H new ATOM 282 N CYS A 21 5.252 -0.420 4.311 1.00 0.00 N ATOM 283 CA CYS A 21 4.327 0.310 3.462 1.00 0.00 C ATOM 284 C CYS A 21 2.907 0.218 3.981 1.00 0.00 C ATOM 285 O CYS A 21 2.246 -0.815 3.844 1.00 0.00 O ATOM 286 CB CYS A 21 4.378 -0.238 2.037 1.00 0.00 C ATOM 287 SG CYS A 21 5.589 0.583 0.939 1.00 0.00 S ATOM 0 H CYS A 21 5.724 -1.193 3.841 1.00 0.00 H new ATOM 0 HA CYS A 21 4.630 1.357 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.612 -1.302 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.387 -0.147 1.593 1.00 0.00 H new ATOM 292 N THR A 22 2.429 1.308 4.540 1.00 0.00 N ATOM 293 CA THR A 22 1.081 1.359 5.036 1.00 0.00 C ATOM 294 C THR A 22 0.272 2.293 4.172 1.00 0.00 C ATOM 295 O THR A 22 0.648 3.444 3.952 1.00 0.00 O ATOM 296 CB THR A 22 1.001 1.823 6.494 1.00 0.00 C ATOM 297 OG1 THR A 22 1.725 3.047 6.665 1.00 0.00 O ATOM 298 CG2 THR A 22 1.548 0.762 7.439 1.00 0.00 C ATOM 0 H THR A 22 2.960 2.171 4.660 1.00 0.00 H new ATOM 0 HA THR A 22 0.682 0.345 4.998 1.00 0.00 H new ATOM 0 HB THR A 22 -0.049 1.989 6.736 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.582 3.623 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.478 1.119 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.967 -0.154 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.591 0.560 7.195 1.00 0.00 H new ATOM 306 N CYS A 23 -0.827 1.792 3.678 1.00 0.00 N ATOM 307 CA CYS A 23 -1.692 2.580 2.834 1.00 0.00 C ATOM 308 C CYS A 23 -2.760 3.274 3.667 1.00 0.00 C ATOM 309 O CYS A 23 -2.509 3.698 4.796 1.00 0.00 O ATOM 310 CB CYS A 23 -2.323 1.702 1.755 1.00 0.00 C ATOM 311 SG CYS A 23 -3.240 0.253 2.361 1.00 0.00 S ATOM 0 H CYS A 23 -1.148 0.838 3.844 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.096 3.349 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.000 2.316 1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.535 1.357 1.085 1.00 0.00 H new ATOM 316 N ASP A 24 -3.944 3.380 3.102 1.00 0.00 N ATOM 317 CA ASP A 24 -5.069 4.016 3.765 1.00 0.00 C ATOM 318 C ASP A 24 -6.291 3.095 3.753 1.00 0.00 C ATOM 319 O ASP A 24 -6.928 2.893 4.784 1.00 0.00 O ATOM 320 CB ASP A 24 -5.396 5.344 3.064 1.00 0.00 C ATOM 321 CG ASP A 24 -5.796 5.161 1.605 1.00 0.00 C ATOM 322 OD1 ASP A 24 -5.066 4.450 0.865 1.00 0.00 O ATOM 323 OD2 ASP A 24 -6.832 5.718 1.197 1.00 0.00 O ATOM 0 H ASP A 24 -4.157 3.028 2.169 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.802 4.214 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.206 5.841 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.528 6.001 3.118 1.00 0.00 H new ATOM 328 N ASP A 25 -6.599 2.569 2.565 1.00 0.00 N ATOM 329 CA ASP A 25 -7.750 1.687 2.329 1.00 0.00 C ATOM 330 C ASP A 25 -9.051 2.417 2.536 1.00 0.00 C ATOM 331 O ASP A 25 -9.314 3.025 3.574 1.00 0.00 O ATOM 332 CB ASP A 25 -7.728 0.397 3.160 1.00 0.00 C ATOM 333 CG ASP A 25 -9.020 -0.389 2.992 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.458 -0.574 1.830 1.00 0.00 O ATOM 335 OD2 ASP A 25 -9.596 -0.820 4.010 1.00 0.00 O ATOM 0 H ASP A 25 -6.048 2.745 1.725 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.668 1.383 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.882 -0.220 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.583 0.642 4.212 1.00 0.00 H new ATOM 340 N ARG A 26 -9.861 2.350 1.508 1.00 0.00 N ATOM 341 CA ARG A 26 -11.146 3.001 1.494 1.00 0.00 C ATOM 342 C ARG A 26 -11.967 2.389 0.389 1.00 0.00 C ATOM 343 O ARG A 26 -12.434 3.097 -0.505 1.00 0.00 O ATOM 344 CB ARG A 26 -10.958 4.495 1.231 1.00 0.00 C ATOM 345 CG ARG A 26 -10.782 5.346 2.481 1.00 0.00 C ATOM 346 CD ARG A 26 -11.843 5.032 3.523 1.00 0.00 C ATOM 347 NE ARG A 26 -13.200 5.217 3.004 1.00 0.00 N ATOM 348 CZ ARG A 26 -14.301 4.910 3.684 1.00 0.00 C ATOM 349 NH1 ARG A 26 -14.205 4.387 4.904 1.00 0.00 N ATOM 350 NH2 ARG A 26 -15.498 5.116 3.143 1.00 0.00 N ATOM 0 H ARG A 26 -9.645 1.839 0.652 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.649 2.873 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.086 4.630 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.821 4.863 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.793 5.173 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.834 6.402 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.723 4.003 3.863 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.698 5.674 4.392 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.307 5.604 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.287 4.222 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.049 4.151 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.573 5.510 2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.341 4.880 3.666 1.00 0.00 H new ATOM 364 N SER A 27 -12.061 1.064 0.418 1.00 0.00 N ATOM 365 CA SER A 27 -12.732 0.323 -0.634 1.00 0.00 C ATOM 366 C SER A 27 -11.827 0.436 -1.832 1.00 0.00 C ATOM 367 O SER A 27 -12.246 0.806 -2.931 1.00 0.00 O ATOM 368 CB SER A 27 -14.147 0.859 -0.918 1.00 0.00 C ATOM 369 OG SER A 27 -14.812 0.078 -1.894 1.00 0.00 O ATOM 0 H SER A 27 -11.678 0.483 1.164 1.00 0.00 H new ATOM 0 HA SER A 27 -12.893 -0.717 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.728 0.862 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.084 1.892 -1.259 1.00 0.00 H new ATOM 0 HG SER A 27 -14.279 0.059 -2.716 1.00 0.00 H new ATOM 375 N ASP A 28 -10.558 0.140 -1.524 1.00 0.00 N ATOM 376 CA ASP A 28 -9.428 0.190 -2.442 1.00 0.00 C ATOM 377 C ASP A 28 -8.676 1.504 -2.294 1.00 0.00 C ATOM 378 O ASP A 28 -9.011 2.505 -2.925 1.00 0.00 O ATOM 379 CB ASP A 28 -9.820 -0.022 -3.911 1.00 0.00 C ATOM 380 CG ASP A 28 -10.037 -1.473 -4.296 1.00 0.00 C ATOM 381 OD1 ASP A 28 -10.077 -2.344 -3.403 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.157 -1.752 -5.511 1.00 0.00 O ATOM 0 H ASP A 28 -10.286 -0.153 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.781 -0.643 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.734 0.536 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.041 0.398 -4.547 1.00 0.00 H new ATOM 387 N GLY A 29 -7.643 1.486 -1.453 1.00 0.00 N ATOM 388 CA GLY A 29 -6.840 2.674 -1.239 1.00 0.00 C ATOM 389 C GLY A 29 -5.585 2.668 -2.074 1.00 0.00 C ATOM 390 O GLY A 29 -5.605 2.290 -3.247 1.00 0.00 O ATOM 0 H GLY A 29 -7.350 0.669 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.430 3.558 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.573 2.746 -0.185 1.00 0.00 H new ATOM 394 N LEU A 30 -4.489 3.106 -1.476 1.00 0.00 N ATOM 395 CA LEU A 30 -3.227 3.178 -2.182 1.00 0.00 C ATOM 396 C LEU A 30 -2.052 3.132 -1.187 1.00 0.00 C ATOM 397 O LEU A 30 -1.950 3.967 -0.288 1.00 0.00 O ATOM 398 CB LEU A 30 -3.259 4.472 -3.000 1.00 0.00 C ATOM 399 CG LEU A 30 -2.224 4.621 -4.118 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.840 4.851 -3.556 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.239 3.398 -5.022 1.00 0.00 C ATOM 0 H LEU A 30 -4.451 3.416 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.083 2.327 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.250 4.567 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.136 5.309 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.492 5.496 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.127 4.953 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.837 5.762 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.556 4.005 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.497 3.520 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.003 2.510 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.228 3.287 -5.467 1.00 0.00 H new ATOM 413 N CYS A 31 -1.190 2.119 -1.342 1.00 0.00 N ATOM 414 CA CYS A 31 -0.035 1.896 -0.452 1.00 0.00 C ATOM 415 C CYS A 31 0.969 3.046 -0.453 1.00 0.00 C ATOM 416 O CYS A 31 1.232 3.656 -1.489 1.00 0.00 O ATOM 417 CB CYS A 31 0.678 0.608 -0.845 1.00 0.00 C ATOM 418 SG CYS A 31 -0.407 -0.854 -0.890 1.00 0.00 S ATOM 0 H CYS A 31 -1.271 1.428 -2.088 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.437 1.827 0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.132 0.741 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.489 0.424 -0.141 1.00 0.00 H new ATOM 423 N LYS A 32 1.542 3.324 0.721 1.00 0.00 N ATOM 424 CA LYS A 32 2.526 4.389 0.869 1.00 0.00 C ATOM 425 C LYS A 32 3.806 3.864 1.536 1.00 0.00 C ATOM 426 O LYS A 32 3.745 3.040 2.445 1.00 0.00 O ATOM 427 CB LYS A 32 1.916 5.544 1.663 1.00 0.00 C ATOM 428 CG LYS A 32 0.872 6.321 0.875 1.00 0.00 C ATOM 429 CD LYS A 32 1.355 6.613 -0.537 1.00 0.00 C ATOM 430 CE LYS A 32 0.237 7.117 -1.421 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.357 8.383 -0.912 1.00 0.00 N ATOM 0 H LYS A 32 1.337 2.821 1.584 1.00 0.00 H new ATOM 0 HA LYS A 32 2.805 4.756 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.460 5.152 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.710 6.224 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.056 5.750 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.648 7.257 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.153 7.355 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.780 5.708 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.618 7.277 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.540 6.356 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.060 8.735 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.819 8.206 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.392 9.094 -0.790 1.00 0.00 H new ATOM 445 N ARG A 33 4.958 4.305 1.021 1.00 0.00 N ATOM 446 CA ARG A 33 6.280 3.855 1.489 1.00 0.00 C ATOM 447 C ARG A 33 6.743 4.512 2.791 1.00 0.00 C ATOM 448 O ARG A 33 5.943 4.962 3.606 1.00 0.00 O ATOM 449 CB ARG A 33 7.339 4.146 0.413 1.00 0.00 C ATOM 450 CG ARG A 33 7.484 3.066 -0.643 1.00 0.00 C ATOM 451 CD ARG A 33 8.871 3.086 -1.276 1.00 0.00 C ATOM 452 NE ARG A 33 9.136 4.306 -2.040 1.00 0.00 N ATOM 453 CZ ARG A 33 8.631 4.565 -3.248 1.00 0.00 C ATOM 454 NH1 ARG A 33 7.847 3.679 -3.857 1.00 0.00 N ATOM 455 NH2 ARG A 33 8.934 5.701 -3.854 1.00 0.00 N ATOM 0 H ARG A 33 5.004 4.987 0.264 1.00 0.00 H new ATOM 0 HA ARG A 33 6.172 2.788 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.088 5.085 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.303 4.290 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.302 2.090 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.728 3.207 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.623 2.984 -0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.976 2.223 -1.933 1.00 0.00 H new ATOM 0 HE ARG A 33 9.748 5.006 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.628 2.794 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.465 3.885 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.551 6.374 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.551 5.904 -4.777 1.00 0.00 H new ATOM 469 N ASN A 34 8.072 4.562 2.935 1.00 0.00 N ATOM 470 CA ASN A 34 8.761 5.152 4.081 1.00 0.00 C ATOM 471 C ASN A 34 10.106 5.666 3.600 1.00 0.00 C ATOM 472 O ASN A 34 10.629 5.169 2.607 1.00 0.00 O ATOM 473 CB ASN A 34 8.961 4.138 5.193 1.00 0.00 C ATOM 474 CG ASN A 34 7.708 3.888 6.000 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.140 4.804 6.590 1.00 0.00 O ATOM 476 ND2 ASN A 34 7.288 2.638 6.037 1.00 0.00 N ATOM 0 H ASN A 34 8.712 4.182 2.238 1.00 0.00 H new ATOM 0 HA ASN A 34 8.157 5.963 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.302 3.197 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.750 4.488 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.455 2.396 6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.796 1.914 5.529 1.00 0.00 H new ATOM 483 N GLY A 35 10.624 6.706 4.241 1.00 0.00 N ATOM 484 CA GLY A 35 11.866 7.319 3.782 1.00 0.00 C ATOM 485 C GLY A 35 11.509 8.341 2.727 1.00 0.00 C ATOM 486 O GLY A 35 11.927 9.497 2.770 1.00 0.00 O ATOM 0 H GLY A 35 10.212 7.138 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.389 7.793 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.537 6.564 3.372 1.00 0.00 H new ATOM 490 N ASP A 36 10.641 7.887 1.842 1.00 0.00 N ATOM 491 CA ASP A 36 10.054 8.677 0.778 1.00 0.00 C ATOM 492 C ASP A 36 8.599 8.188 0.622 1.00 0.00 C ATOM 493 O ASP A 36 8.167 7.779 -0.453 1.00 0.00 O ATOM 494 CB ASP A 36 10.864 8.525 -0.529 1.00 0.00 C ATOM 495 CG ASP A 36 10.694 7.176 -1.222 1.00 0.00 C ATOM 496 OD1 ASP A 36 10.749 6.124 -0.544 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.505 7.167 -2.457 1.00 0.00 O ATOM 0 H ASP A 36 10.314 6.921 1.846 1.00 0.00 H new ATOM 0 HA ASP A 36 10.069 9.741 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.568 9.315 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.921 8.675 -0.307 1.00 0.00 H new ATOM 502 N PRO A 37 7.826 8.170 1.747 1.00 0.00 N ATOM 503 CA PRO A 37 6.437 7.666 1.780 1.00 0.00 C ATOM 504 C PRO A 37 5.532 8.195 0.684 1.00 0.00 C ATOM 505 O PRO A 37 4.932 9.267 0.785 1.00 0.00 O ATOM 506 CB PRO A 37 5.977 8.074 3.185 1.00 0.00 C ATOM 507 CG PRO A 37 7.228 7.869 3.945 1.00 0.00 C ATOM 508 CD PRO A 37 8.236 8.587 3.109 1.00 0.00 C ATOM 0 HA PRO A 37 6.389 6.594 1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.632 9.107 3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.161 7.451 3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.165 8.285 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.469 6.811 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.186 9.668 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.256 8.284 3.343 1.00 0.00 H new TER 516 PRO A 37