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= 0.411 (180deg=-0.431) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 42:sc= 0.561 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 83:sc= 1.17 USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.779 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.17) USER MOD Single : A 34 ASN : amide:sc= 0.41 K(o=0.41,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.701 6.762 -1.379 1.00 0.00 N ATOM 2 CA THR A 1 3.947 6.741 -2.586 1.00 0.00 C ATOM 3 C THR A 1 3.769 5.277 -2.904 1.00 0.00 C ATOM 4 O THR A 1 4.366 4.449 -2.223 1.00 0.00 O ATOM 5 CB THR A 1 4.656 7.485 -3.740 1.00 0.00 C ATOM 6 OG1 THR A 1 3.728 7.722 -4.808 1.00 0.00 O ATOM 7 CG2 THR A 1 5.848 6.696 -4.268 1.00 0.00 C ATOM 0 H3 THR A 1 5.588 7.282 -1.533 1.00 0.00 H new ATOM 0 HA THR A 1 2.996 7.259 -2.466 1.00 0.00 H new ATOM 0 HB THR A 1 5.024 8.433 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.182 8.195 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.321 7.250 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.568 6.543 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.509 5.729 -4.640 1.00 0.00 H new ATOM 15 N PHE A 2 2.940 4.978 -3.875 1.00 0.00 N ATOM 16 CA PHE A 2 2.635 3.608 -4.279 1.00 0.00 C ATOM 17 C PHE A 2 3.828 2.650 -4.106 1.00 0.00 C ATOM 18 O PHE A 2 4.754 2.640 -4.915 1.00 0.00 O ATOM 19 CB PHE A 2 2.161 3.642 -5.735 1.00 0.00 C ATOM 20 CG PHE A 2 1.985 2.300 -6.392 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.218 1.309 -5.804 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.581 2.043 -7.617 1.00 0.00 C ATOM 23 CE1 PHE A 2 1.052 0.087 -6.423 1.00 0.00 C ATOM 24 CE2 PHE A 2 2.416 0.823 -8.241 1.00 0.00 C ATOM 25 CZ PHE A 2 1.651 -0.156 -7.643 1.00 0.00 C ATOM 0 H PHE A 2 2.446 5.684 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 2 1.854 3.216 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.211 4.175 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.877 4.221 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.745 1.494 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.182 2.807 -8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.453 -0.679 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.885 0.636 -9.196 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.521 -1.112 -8.128 1.00 0.00 H new ATOM 35 N CYS A 3 3.790 1.882 -3.008 1.00 0.00 N ATOM 36 CA CYS A 3 4.851 0.929 -2.662 1.00 0.00 C ATOM 37 C CYS A 3 5.168 -0.012 -3.824 1.00 0.00 C ATOM 38 O CYS A 3 6.262 0.019 -4.387 1.00 0.00 O ATOM 39 CB CYS A 3 4.447 0.060 -1.458 1.00 0.00 C ATOM 40 SG CYS A 3 3.785 0.937 -0.003 1.00 0.00 S ATOM 0 H CYS A 3 3.023 1.905 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 3 5.729 1.528 -2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.698 -0.658 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.320 -0.512 -1.143 1.00 0.00 H new ATOM 45 N GLY A 4 4.201 -0.856 -4.155 1.00 0.00 N ATOM 46 CA GLY A 4 4.358 -1.819 -5.225 1.00 0.00 C ATOM 47 C GLY A 4 3.107 -2.651 -5.351 1.00 0.00 C ATOM 48 O GLY A 4 2.578 -2.850 -6.442 1.00 0.00 O ATOM 0 H GLY A 4 3.293 -0.889 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.559 -1.303 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.215 -2.462 -5.025 1.00 0.00 H new ATOM 52 N GLU A 5 2.614 -3.101 -4.209 1.00 0.00 N ATOM 53 CA GLU A 5 1.387 -3.874 -4.150 1.00 0.00 C ATOM 54 C GLU A 5 0.212 -2.919 -4.074 1.00 0.00 C ATOM 55 O GLU A 5 0.399 -1.708 -3.927 1.00 0.00 O ATOM 56 CB GLU A 5 1.378 -4.768 -2.918 1.00 0.00 C ATOM 57 CG GLU A 5 2.465 -5.820 -2.908 1.00 0.00 C ATOM 58 CD GLU A 5 2.736 -6.312 -1.510 1.00 0.00 C ATOM 59 OE1 GLU A 5 3.044 -5.468 -0.647 1.00 0.00 O ATOM 60 OE2 GLU A 5 2.650 -7.527 -1.264 1.00 0.00 O ATOM 0 H GLU A 5 3.051 -2.941 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 5 1.317 -4.499 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.483 -4.145 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.409 -5.262 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.170 -6.658 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.379 -5.406 -3.334 1.00 0.00 H new ATOM 67 N THR A 6 -0.993 -3.446 -4.140 1.00 0.00 N ATOM 68 CA THR A 6 -2.166 -2.608 -4.048 1.00 0.00 C ATOM 69 C THR A 6 -3.136 -3.141 -3.011 1.00 0.00 C ATOM 70 O THR A 6 -3.785 -4.166 -3.225 1.00 0.00 O ATOM 71 CB THR A 6 -2.902 -2.494 -5.391 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.192 -3.799 -5.908 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.086 -1.709 -6.407 1.00 0.00 C ATOM 0 H THR A 6 -1.183 -4.441 -4.256 1.00 0.00 H new ATOM 0 HA THR A 6 -1.812 -1.620 -3.755 1.00 0.00 H new ATOM 0 HB THR A 6 -3.834 -1.957 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.493 -4.380 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.636 -1.647 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.902 -0.704 -6.028 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.134 -2.213 -6.576 1.00 0.00 H new ATOM 81 N CYS A 7 -3.268 -2.423 -1.910 1.00 0.00 N ATOM 82 CA CYS A 7 -4.198 -2.807 -0.862 1.00 0.00 C ATOM 83 C CYS A 7 -5.583 -2.286 -1.232 1.00 0.00 C ATOM 84 O CYS A 7 -6.191 -1.506 -0.506 1.00 0.00 O ATOM 85 CB CYS A 7 -3.754 -2.306 0.531 1.00 0.00 C ATOM 86 SG CYS A 7 -3.089 -0.610 0.587 1.00 0.00 S ATOM 0 H CYS A 7 -2.743 -1.570 -1.718 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.221 -3.894 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.607 -2.364 1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.995 -2.987 0.917 1.00 0.00 H new ATOM 91 N ARG A 8 -6.038 -2.703 -2.408 1.00 0.00 N ATOM 92 CA ARG A 8 -7.320 -2.280 -2.947 1.00 0.00 C ATOM 93 C ARG A 8 -8.447 -3.193 -2.541 1.00 0.00 C ATOM 94 O ARG A 8 -9.142 -2.943 -1.562 1.00 0.00 O ATOM 95 CB ARG A 8 -7.245 -2.201 -4.465 1.00 0.00 C ATOM 96 CG ARG A 8 -6.441 -1.015 -4.907 1.00 0.00 C ATOM 97 CD ARG A 8 -6.838 -0.533 -6.290 1.00 0.00 C ATOM 98 NE ARG A 8 -8.102 0.194 -6.249 1.00 0.00 N ATOM 99 CZ ARG A 8 -8.705 0.731 -7.302 1.00 0.00 C ATOM 100 NH1 ARG A 8 -8.185 0.593 -8.519 1.00 0.00 N ATOM 101 NH2 ARG A 8 -9.831 1.410 -7.132 1.00 0.00 N ATOM 0 H ARG A 8 -5.526 -3.345 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.533 -1.295 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.797 -3.114 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.251 -2.136 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.571 -0.204 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.383 -1.275 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.057 0.112 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.926 -1.385 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.557 0.297 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.318 0.072 -8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.654 1.008 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.227 1.516 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.302 1.826 -7.935 1.00 0.00 H new ATOM 115 N VAL A 9 -8.637 -4.254 -3.304 1.00 0.00 N ATOM 116 CA VAL A 9 -9.701 -5.172 -3.002 1.00 0.00 C ATOM 117 C VAL A 9 -9.197 -6.219 -2.015 1.00 0.00 C ATOM 118 O VAL A 9 -9.936 -6.729 -1.174 1.00 0.00 O ATOM 119 CB VAL A 9 -10.274 -5.844 -4.276 1.00 0.00 C ATOM 120 CG1 VAL A 9 -9.206 -6.649 -5.007 1.00 0.00 C ATOM 121 CG2 VAL A 9 -11.471 -6.722 -3.935 1.00 0.00 C ATOM 0 H VAL A 9 -8.076 -4.492 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.520 -4.610 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.610 -5.051 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.640 -7.107 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.390 -5.989 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.822 -7.428 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.855 -7.183 -4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.164 -7.500 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.251 -6.112 -3.479 1.00 0.00 H new ATOM 131 N ILE A 10 -7.905 -6.481 -2.106 1.00 0.00 N ATOM 132 CA ILE A 10 -7.216 -7.403 -1.222 1.00 0.00 C ATOM 133 C ILE A 10 -6.030 -6.657 -0.627 1.00 0.00 C ATOM 134 O ILE A 10 -4.921 -6.700 -1.157 1.00 0.00 O ATOM 135 CB ILE A 10 -6.751 -8.683 -1.957 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.100 -8.336 -3.303 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.926 -9.630 -2.159 1.00 0.00 C ATOM 138 CD1 ILE A 10 -5.547 -9.537 -4.043 1.00 0.00 C ATOM 0 H ILE A 10 -7.298 -6.054 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.898 -7.739 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.003 -9.181 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.836 -7.839 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.293 -7.623 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.586 -10.527 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.341 -9.906 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.693 -9.136 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.103 -9.212 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.786 -10.022 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.353 -10.242 -4.246 1.00 0.00 H new ATOM 150 N PRO A 11 -6.283 -5.873 0.431 1.00 0.00 N ATOM 151 CA PRO A 11 -5.270 -5.022 1.062 1.00 0.00 C ATOM 152 C PRO A 11 -4.102 -5.747 1.718 1.00 0.00 C ATOM 153 O PRO A 11 -3.610 -6.756 1.221 1.00 0.00 O ATOM 154 CB PRO A 11 -6.062 -4.242 2.115 1.00 0.00 C ATOM 155 CG PRO A 11 -7.460 -4.299 1.638 1.00 0.00 C ATOM 156 CD PRO A 11 -7.605 -5.669 1.049 1.00 0.00 C ATOM 0 HA PRO A 11 -4.781 -4.416 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.960 -4.692 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.711 -3.213 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.164 -4.143 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.657 -3.526 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.821 -6.420 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.411 -5.716 0.316 1.00 0.00 H new ATOM 164 N VAL A 12 -3.658 -5.162 2.831 1.00 0.00 N ATOM 165 CA VAL A 12 -2.527 -5.640 3.622 1.00 0.00 C ATOM 166 C VAL A 12 -1.325 -6.019 2.768 1.00 0.00 C ATOM 167 O VAL A 12 -0.973 -7.190 2.631 1.00 0.00 O ATOM 168 CB VAL A 12 -2.873 -6.778 4.623 1.00 0.00 C ATOM 169 CG1 VAL A 12 -3.679 -6.229 5.788 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.624 -7.932 3.966 1.00 0.00 C ATOM 0 H VAL A 12 -4.087 -4.321 3.216 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.253 -4.776 4.228 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.926 -7.177 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.914 -7.037 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.098 -5.466 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.604 -5.790 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.839 -8.697 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.559 -7.564 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.011 -8.360 3.173 1.00 0.00 H new ATOM 180 N CYS A 13 -0.698 -4.992 2.211 1.00 0.00 N ATOM 181 CA CYS A 13 0.483 -5.148 1.370 1.00 0.00 C ATOM 182 C CYS A 13 1.566 -5.895 2.160 1.00 0.00 C ATOM 183 O CYS A 13 2.142 -5.339 3.092 1.00 0.00 O ATOM 184 CB CYS A 13 0.992 -3.755 0.993 1.00 0.00 C ATOM 185 SG CYS A 13 -0.322 -2.485 0.968 1.00 0.00 S ATOM 0 H CYS A 13 -0.994 -4.023 2.330 1.00 0.00 H new ATOM 0 HA CYS A 13 0.240 -5.713 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.764 -3.454 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.461 -3.801 0.010 1.00 0.00 H new ATOM 190 N THR A 14 1.803 -7.158 1.826 1.00 0.00 N ATOM 191 CA THR A 14 2.775 -7.971 2.555 1.00 0.00 C ATOM 192 C THR A 14 4.230 -7.697 2.151 1.00 0.00 C ATOM 193 O THR A 14 5.121 -7.735 3.001 1.00 0.00 O ATOM 194 CB THR A 14 2.463 -9.483 2.428 1.00 0.00 C ATOM 195 OG1 THR A 14 3.440 -10.252 3.142 1.00 0.00 O ATOM 196 CG2 THR A 14 2.421 -9.936 0.974 1.00 0.00 C ATOM 0 H THR A 14 1.338 -7.642 1.058 1.00 0.00 H new ATOM 0 HA THR A 14 2.674 -7.672 3.598 1.00 0.00 H new ATOM 0 HB THR A 14 1.476 -9.647 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.232 -11.206 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.199 -11.002 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.646 -9.383 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.387 -9.747 0.506 1.00 0.00 H new ATOM 204 N TYR A 15 4.484 -7.423 0.881 1.00 0.00 N ATOM 205 CA TYR A 15 5.844 -7.151 0.422 1.00 0.00 C ATOM 206 C TYR A 15 6.220 -5.717 0.758 1.00 0.00 C ATOM 207 O TYR A 15 7.316 -5.432 1.242 1.00 0.00 O ATOM 208 CB TYR A 15 5.963 -7.394 -1.087 1.00 0.00 C ATOM 209 CG TYR A 15 7.351 -7.161 -1.641 1.00 0.00 C ATOM 210 CD1 TYR A 15 8.464 -7.767 -1.069 1.00 0.00 C ATOM 211 CD2 TYR A 15 7.548 -6.334 -2.740 1.00 0.00 C ATOM 212 CE1 TYR A 15 9.731 -7.554 -1.575 1.00 0.00 C ATOM 213 CE2 TYR A 15 8.812 -6.117 -3.252 1.00 0.00 C ATOM 214 CZ TYR A 15 9.900 -6.729 -2.666 1.00 0.00 C ATOM 215 OH TYR A 15 11.162 -6.515 -3.173 1.00 0.00 O ATOM 0 H TYR A 15 3.773 -7.382 0.151 1.00 0.00 H new ATOM 0 HA TYR A 15 6.530 -7.829 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.664 -8.419 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.262 -6.741 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.335 -8.415 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.698 -5.853 -3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.585 -8.031 -1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.948 -5.471 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 15 11.107 -5.910 -3.942 1.00 0.00 H new ATOM 225 N SER A 16 5.279 -4.825 0.511 1.00 0.00 N ATOM 226 CA SER A 16 5.443 -3.409 0.783 1.00 0.00 C ATOM 227 C SER A 16 5.588 -3.176 2.282 1.00 0.00 C ATOM 228 O SER A 16 6.172 -2.182 2.717 1.00 0.00 O ATOM 229 CB SER A 16 4.241 -2.652 0.220 1.00 0.00 C ATOM 230 OG SER A 16 3.975 -3.044 -1.120 1.00 0.00 O ATOM 0 H SER A 16 4.371 -5.065 0.112 1.00 0.00 H new ATOM 0 HA SER A 16 6.349 -3.040 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.364 -2.842 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.432 -1.579 0.258 1.00 0.00 H new ATOM 0 HG SER A 16 3.441 -3.866 -1.121 1.00 0.00 H new ATOM 236 N ALA A 17 5.067 -4.114 3.067 1.00 0.00 N ATOM 237 CA ALA A 17 5.139 -4.029 4.521 1.00 0.00 C ATOM 238 C ALA A 17 6.585 -4.015 5.023 1.00 0.00 C ATOM 239 O ALA A 17 6.835 -3.645 6.166 1.00 0.00 O ATOM 240 CB ALA A 17 4.374 -5.174 5.165 1.00 0.00 C ATOM 0 H ALA A 17 4.589 -4.945 2.718 1.00 0.00 H new ATOM 0 HA ALA A 17 4.678 -3.085 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.441 -5.091 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.328 -5.129 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.804 -6.124 4.846 1.00 0.00 H new ATOM 246 N ALA A 18 7.538 -4.403 4.165 1.00 0.00 N ATOM 247 CA ALA A 18 8.956 -4.402 4.540 1.00 0.00 C ATOM 248 C ALA A 18 9.371 -2.995 4.958 1.00 0.00 C ATOM 249 O ALA A 18 10.034 -2.796 5.974 1.00 0.00 O ATOM 250 CB ALA A 18 9.816 -4.895 3.385 1.00 0.00 C ATOM 0 H ALA A 18 7.353 -4.719 3.213 1.00 0.00 H new ATOM 0 HA ALA A 18 9.103 -5.080 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.865 -4.887 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.522 -5.911 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.678 -4.241 2.524 1.00 0.00 H new ATOM 256 N LEU A 19 8.911 -2.022 4.183 1.00 0.00 N ATOM 257 CA LEU A 19 9.148 -0.610 4.463 1.00 0.00 C ATOM 258 C LEU A 19 8.166 -0.105 5.494 1.00 0.00 C ATOM 259 O LEU A 19 8.297 0.999 6.013 1.00 0.00 O ATOM 260 CB LEU A 19 8.994 0.227 3.192 1.00 0.00 C ATOM 261 CG LEU A 19 10.278 0.526 2.424 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.100 -0.735 2.200 1.00 0.00 C ATOM 263 CD2 LEU A 19 9.957 1.192 1.096 1.00 0.00 C ATOM 0 H LEU A 19 8.361 -2.189 3.340 1.00 0.00 H new ATOM 0 HA LEU A 19 10.165 -0.514 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.306 -0.290 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.526 1.174 3.460 1.00 0.00 H new ATOM 0 HG LEU A 19 10.876 1.210 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.007 -0.485 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.368 -1.171 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.515 -1.454 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.883 1.399 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.332 0.529 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.426 2.126 1.277 1.00 0.00 H new ATOM 275 N GLY A 20 7.157 -0.907 5.728 1.00 0.00 N ATOM 276 CA GLY A 20 6.100 -0.552 6.635 1.00 0.00 C ATOM 277 C GLY A 20 4.899 -0.138 5.835 1.00 0.00 C ATOM 278 O GLY A 20 3.825 -0.720 5.957 1.00 0.00 O ATOM 0 H GLY A 20 7.048 -1.824 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.853 -1.397 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.419 0.261 7.287 1.00 0.00 H new ATOM 282 N CYS A 21 5.130 0.847 4.972 1.00 0.00 N ATOM 283 CA CYS A 21 4.120 1.376 4.073 1.00 0.00 C ATOM 284 C CYS A 21 2.938 2.007 4.837 1.00 0.00 C ATOM 285 O CYS A 21 2.459 1.497 5.844 1.00 0.00 O ATOM 286 CB CYS A 21 3.707 0.298 3.045 1.00 0.00 C ATOM 287 SG CYS A 21 4.838 0.219 1.593 1.00 0.00 S ATOM 0 H CYS A 21 6.037 1.303 4.879 1.00 0.00 H new ATOM 0 HA CYS A 21 4.548 2.202 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.686 -0.675 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.694 0.503 2.699 1.00 0.00 H new ATOM 292 N THR A 22 2.521 3.165 4.353 1.00 0.00 N ATOM 293 CA THR A 22 1.457 3.951 4.957 1.00 0.00 C ATOM 294 C THR A 22 0.083 3.540 4.442 1.00 0.00 C ATOM 295 O THR A 22 -0.917 4.159 4.796 1.00 0.00 O ATOM 296 CB THR A 22 1.654 5.414 4.580 1.00 0.00 C ATOM 297 OG1 THR A 22 3.047 5.742 4.594 1.00 0.00 O ATOM 298 CG2 THR A 22 0.904 6.353 5.516 1.00 0.00 C ATOM 0 H THR A 22 2.918 3.592 3.516 1.00 0.00 H new ATOM 0 HA THR A 22 1.501 3.790 6.034 1.00 0.00 H new ATOM 0 HB THR A 22 1.249 5.546 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.467 5.419 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.074 7.385 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.163 6.133 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.264 6.214 6.536 1.00 0.00 H new ATOM 306 N CYS A 23 0.066 2.515 3.589 1.00 0.00 N ATOM 307 CA CYS A 23 -1.177 1.993 2.989 1.00 0.00 C ATOM 308 C CYS A 23 -2.349 2.120 3.966 1.00 0.00 C ATOM 309 O CYS A 23 -2.254 1.688 5.115 1.00 0.00 O ATOM 310 CB CYS A 23 -1.029 0.520 2.594 1.00 0.00 C ATOM 311 SG CYS A 23 -2.619 -0.382 2.553 1.00 0.00 S ATOM 0 H CYS A 23 0.907 2.020 3.291 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.374 2.588 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.560 0.460 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.358 0.028 3.298 1.00 0.00 H new ATOM 316 N ASP A 24 -3.425 2.751 3.521 1.00 0.00 N ATOM 317 CA ASP A 24 -4.583 2.981 4.379 1.00 0.00 C ATOM 318 C ASP A 24 -5.600 1.838 4.333 1.00 0.00 C ATOM 319 O ASP A 24 -5.697 1.048 5.269 1.00 0.00 O ATOM 320 CB ASP A 24 -5.265 4.287 3.956 1.00 0.00 C ATOM 321 CG ASP A 24 -6.397 4.696 4.877 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.122 5.072 6.033 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.567 4.668 4.441 1.00 0.00 O ATOM 0 H ASP A 24 -3.523 3.113 2.573 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.220 3.041 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.522 5.084 3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.652 4.176 2.943 1.00 0.00 H new ATOM 328 N ASP A 25 -6.377 1.811 3.249 1.00 0.00 N ATOM 329 CA ASP A 25 -7.456 0.837 3.040 1.00 0.00 C ATOM 330 C ASP A 25 -8.634 1.174 3.911 1.00 0.00 C ATOM 331 O ASP A 25 -8.545 1.253 5.135 1.00 0.00 O ATOM 332 CB ASP A 25 -7.050 -0.629 3.245 1.00 0.00 C ATOM 333 CG ASP A 25 -8.266 -1.543 3.279 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.126 -1.426 2.371 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.356 -2.386 4.194 1.00 0.00 O ATOM 0 H ASP A 25 -6.275 2.473 2.480 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.722 0.920 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.383 -0.939 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.493 -0.727 4.177 1.00 0.00 H new ATOM 340 N ARG A 26 -9.733 1.384 3.224 1.00 0.00 N ATOM 341 CA ARG A 26 -11.000 1.750 3.812 1.00 0.00 C ATOM 342 C ARG A 26 -12.016 1.797 2.711 1.00 0.00 C ATOM 343 O ARG A 26 -12.376 2.870 2.226 1.00 0.00 O ATOM 344 CB ARG A 26 -10.923 3.101 4.522 1.00 0.00 C ATOM 345 CG ARG A 26 -10.611 3.007 6.009 1.00 0.00 C ATOM 346 CD ARG A 26 -10.609 4.370 6.679 1.00 0.00 C ATOM 347 NE ARG A 26 -9.351 5.084 6.482 1.00 0.00 N ATOM 348 CZ ARG A 26 -9.080 6.278 7.004 1.00 0.00 C ATOM 349 NH1 ARG A 26 -10.017 6.946 7.673 1.00 0.00 N ATOM 350 NH2 ARG A 26 -7.875 6.803 6.852 1.00 0.00 N ATOM 0 H ARG A 26 -9.770 1.302 2.208 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.278 1.013 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.158 3.709 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.872 3.621 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.347 2.366 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.638 2.535 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.429 4.968 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.791 4.247 7.747 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.634 4.640 5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.947 6.543 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.805 7.861 8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.158 6.293 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.663 7.718 7.250 1.00 0.00 H new ATOM 364 N SER A 27 -12.408 0.608 2.283 1.00 0.00 N ATOM 365 CA SER A 27 -13.326 0.446 1.177 1.00 0.00 C ATOM 366 C SER A 27 -12.558 0.763 -0.093 1.00 0.00 C ATOM 367 O SER A 27 -13.066 1.435 -0.992 1.00 0.00 O ATOM 368 CB SER A 27 -14.560 1.342 1.328 1.00 0.00 C ATOM 369 OG SER A 27 -15.150 1.183 2.610 1.00 0.00 O ATOM 0 H SER A 27 -12.096 -0.271 2.696 1.00 0.00 H new ATOM 0 HA SER A 27 -13.704 -0.576 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.277 2.384 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.289 1.097 0.555 1.00 0.00 H new ATOM 0 HG SER A 27 -15.934 1.766 2.684 1.00 0.00 H new ATOM 375 N ASP A 28 -11.312 0.252 -0.108 1.00 0.00 N ATOM 376 CA ASP A 28 -10.352 0.404 -1.207 1.00 0.00 C ATOM 377 C ASP A 28 -9.435 1.615 -1.020 1.00 0.00 C ATOM 378 O ASP A 28 -9.859 2.677 -0.562 1.00 0.00 O ATOM 379 CB ASP A 28 -11.051 0.430 -2.578 1.00 0.00 C ATOM 380 CG ASP A 28 -10.113 0.716 -3.732 1.00 0.00 C ATOM 381 OD1 ASP A 28 -9.050 0.077 -3.804 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.455 1.552 -4.596 1.00 0.00 O ATOM 0 H ASP A 28 -10.939 -0.293 0.669 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.714 -0.479 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.538 -0.530 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.835 1.187 -2.562 1.00 0.00 H new ATOM 387 N GLY A 29 -8.163 1.424 -1.377 1.00 0.00 N ATOM 388 CA GLY A 29 -7.165 2.470 -1.259 1.00 0.00 C ATOM 389 C GLY A 29 -5.956 2.210 -2.132 1.00 0.00 C ATOM 390 O GLY A 29 -6.089 1.963 -3.330 1.00 0.00 O ATOM 0 H GLY A 29 -7.806 0.545 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.610 3.426 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.849 2.552 -0.219 1.00 0.00 H new ATOM 394 N LEU A 30 -4.767 2.286 -1.533 1.00 0.00 N ATOM 395 CA LEU A 30 -3.526 2.090 -2.271 1.00 0.00 C ATOM 396 C LEU A 30 -2.333 2.052 -1.304 1.00 0.00 C ATOM 397 O LEU A 30 -2.267 2.849 -0.366 1.00 0.00 O ATOM 398 CB LEU A 30 -3.388 3.249 -3.269 1.00 0.00 C ATOM 399 CG LEU A 30 -2.418 3.053 -4.442 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.978 3.225 -4.005 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.620 1.688 -5.079 1.00 0.00 C ATOM 0 H LEU A 30 -4.641 2.482 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.542 1.140 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.375 3.461 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.075 4.135 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.635 3.822 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.318 3.079 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.837 4.229 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.741 2.491 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.924 1.567 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.439 0.910 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.642 1.607 -5.448 1.00 0.00 H new ATOM 413 N CYS A 31 -1.396 1.124 -1.529 1.00 0.00 N ATOM 414 CA CYS A 31 -0.216 0.998 -0.666 1.00 0.00 C ATOM 415 C CYS A 31 0.735 2.171 -0.877 1.00 0.00 C ATOM 416 O CYS A 31 1.194 2.409 -1.988 1.00 0.00 O ATOM 417 CB CYS A 31 0.556 -0.295 -0.958 1.00 0.00 C ATOM 418 SG CYS A 31 -0.431 -1.827 -0.948 1.00 0.00 S ATOM 0 H CYS A 31 -1.431 0.453 -2.296 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.578 0.984 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.033 -0.199 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.353 -0.394 -0.222 1.00 0.00 H new ATOM 423 N LYS A 32 1.059 2.882 0.189 1.00 0.00 N ATOM 424 CA LYS A 32 1.985 4.002 0.099 1.00 0.00 C ATOM 425 C LYS A 32 3.242 3.685 0.902 1.00 0.00 C ATOM 426 O LYS A 32 3.156 3.038 1.922 1.00 0.00 O ATOM 427 CB LYS A 32 1.310 5.285 0.576 1.00 0.00 C ATOM 428 CG LYS A 32 1.032 6.255 -0.562 1.00 0.00 C ATOM 429 CD LYS A 32 0.202 5.588 -1.651 1.00 0.00 C ATOM 430 CE LYS A 32 0.149 6.407 -2.925 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.162 7.842 -2.665 1.00 0.00 N ATOM 0 H LYS A 32 0.697 2.706 1.126 1.00 0.00 H new ATOM 0 HA LYS A 32 2.278 4.159 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.373 5.035 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.944 5.772 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.504 7.129 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.973 6.609 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.620 4.606 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.812 5.428 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.106 6.333 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.606 5.989 -3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.388 8.316 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.977 7.910 -2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.662 8.302 -2.228 1.00 0.00 H new ATOM 445 N ARG A 33 4.405 4.063 0.389 1.00 0.00 N ATOM 446 CA ARG A 33 5.696 3.733 1.016 1.00 0.00 C ATOM 447 C ARG A 33 6.025 4.592 2.241 1.00 0.00 C ATOM 448 O ARG A 33 5.138 5.000 2.976 1.00 0.00 O ATOM 449 CB ARG A 33 6.807 3.897 -0.029 1.00 0.00 C ATOM 450 CG ARG A 33 7.056 2.657 -0.872 1.00 0.00 C ATOM 451 CD ARG A 33 7.882 2.973 -2.114 1.00 0.00 C ATOM 452 NE ARG A 33 9.139 3.653 -1.794 1.00 0.00 N ATOM 453 CZ ARG A 33 9.471 4.858 -2.267 1.00 0.00 C ATOM 454 NH1 ARG A 33 8.664 5.488 -3.105 1.00 0.00 N ATOM 455 NH2 ARG A 33 10.616 5.428 -1.917 1.00 0.00 N ATOM 0 H ARG A 33 4.490 4.606 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 33 5.624 2.705 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.551 4.726 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.732 4.169 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.573 1.908 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.102 2.223 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.099 2.047 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.295 3.598 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 33 9.798 3.180 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.786 5.054 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.919 6.408 -3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.252 4.946 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.861 6.348 -2.283 1.00 0.00 H new ATOM 469 N ASN A 34 7.321 4.842 2.443 1.00 0.00 N ATOM 470 CA ASN A 34 7.828 5.638 3.565 1.00 0.00 C ATOM 471 C ASN A 34 9.113 6.325 3.130 1.00 0.00 C ATOM 472 O ASN A 34 9.791 5.834 2.225 1.00 0.00 O ATOM 473 CB ASN A 34 8.105 4.770 4.783 1.00 0.00 C ATOM 474 CG ASN A 34 6.865 4.412 5.580 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.032 5.262 5.878 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.766 3.148 5.964 1.00 0.00 N ATOM 0 H ASN A 34 8.056 4.494 1.827 1.00 0.00 H new ATOM 0 HA ASN A 34 7.072 6.372 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.594 3.851 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.806 5.290 5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.973 2.848 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.483 2.475 5.693 1.00 0.00 H new ATOM 483 N GLY A 35 9.414 7.485 3.714 1.00 0.00 N ATOM 484 CA GLY A 35 10.590 8.253 3.304 1.00 0.00 C ATOM 485 C GLY A 35 10.245 9.046 2.060 1.00 0.00 C ATOM 486 O GLY A 35 10.541 10.229 1.934 1.00 0.00 O ATOM 0 H GLY A 35 8.868 7.910 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.901 8.924 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.427 7.584 3.105 1.00 0.00 H new ATOM 490 N ASP A 36 9.536 8.349 1.199 1.00 0.00 N ATOM 491 CA ASP A 36 8.988 8.847 -0.047 1.00 0.00 C ATOM 492 C ASP A 36 7.667 8.088 -0.244 1.00 0.00 C ATOM 493 O ASP A 36 7.488 7.336 -1.199 1.00 0.00 O ATOM 494 CB ASP A 36 9.981 8.598 -1.196 1.00 0.00 C ATOM 495 CG ASP A 36 9.402 8.857 -2.576 1.00 0.00 C ATOM 496 OD1 ASP A 36 8.878 9.960 -2.810 1.00 0.00 O ATOM 497 OD2 ASP A 36 9.488 7.941 -3.429 1.00 0.00 O ATOM 0 H ASP A 36 9.314 7.366 1.357 1.00 0.00 H new ATOM 0 HA ASP A 36 8.812 9.923 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.854 9.235 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.328 7.566 -1.146 1.00 0.00 H new ATOM 502 N PRO A 37 6.746 8.192 0.751 1.00 0.00 N ATOM 503 CA PRO A 37 5.469 7.453 0.762 1.00 0.00 C ATOM 504 C PRO A 37 4.581 7.689 -0.448 1.00 0.00 C ATOM 505 O PRO A 37 3.794 8.635 -0.518 1.00 0.00 O ATOM 506 CB PRO A 37 4.824 7.925 2.075 1.00 0.00 C ATOM 507 CG PRO A 37 6.027 8.127 2.909 1.00 0.00 C ATOM 508 CD PRO A 37 6.890 8.952 2.012 1.00 0.00 C ATOM 0 HA PRO A 37 5.624 6.376 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.249 8.842 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.148 7.181 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.796 8.643 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.501 7.183 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.537 9.979 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.924 8.999 2.355 1.00 0.00 H new TER 516 PRO A 37