USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 261 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 Single : A 4 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.614 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -1.6 (180deg=-2.38!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -132:sc= -0.414 (180deg=-1.43!) USER MOD Single : A 30 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 2.062 3.892 3.304 1.00 0.00 N ATOM 40 CA ILE A 3 2.637 3.312 4.551 1.00 0.00 C ATOM 41 C ILE A 3 4.163 3.378 4.481 1.00 0.00 C ATOM 42 O ILE A 3 4.736 3.576 3.427 1.00 0.00 O ATOM 43 CB ILE A 3 2.176 1.851 4.602 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.750 1.714 4.049 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.201 1.365 6.053 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.249 2.291 5.054 1.00 0.00 C ATOM 0 HA ILE A 3 2.312 3.856 5.438 1.00 0.00 H new ATOM 0 HB ILE A 3 2.849 1.249 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.667 2.238 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.523 0.665 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.874 0.326 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.215 1.442 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.532 1.980 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.260 2.193 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.173 1.748 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.027 3.344 5.224 1.00 0.00 H new ATOM 58 N ASN A 4 4.824 3.204 5.587 1.00 0.00 N ATOM 59 CA ASN A 4 6.313 3.247 5.575 1.00 0.00 C ATOM 60 C ASN A 4 6.864 1.847 5.845 1.00 0.00 C ATOM 61 O ASN A 4 7.806 1.669 6.592 1.00 0.00 O ATOM 62 CB ASN A 4 6.700 4.214 6.697 1.00 0.00 C ATOM 63 CG ASN A 4 6.489 3.542 8.055 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.398 3.108 8.368 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.493 3.439 8.882 1.00 0.00 N ATOM 0 H ASN A 4 4.401 3.034 6.499 1.00 0.00 H new ATOM 0 HA ASN A 4 6.716 3.574 4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.742 4.514 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.098 5.121 6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.362 2.994 9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.409 3.803 8.620 1.00 0.00 H new ATOM 72 N ALA A 5 6.271 0.852 5.244 1.00 0.00 N ATOM 73 CA ALA A 5 6.739 -0.545 5.460 1.00 0.00 C ATOM 74 C ALA A 5 7.685 -0.974 4.333 1.00 0.00 C ATOM 75 O ALA A 5 7.950 -2.146 4.151 1.00 0.00 O ATOM 76 CB ALA A 5 5.463 -1.387 5.433 1.00 0.00 C ATOM 0 H ALA A 5 5.478 0.948 4.609 1.00 0.00 H new ATOM 0 HA ALA A 5 7.291 -0.657 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.716 -2.436 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.792 -1.057 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.970 -1.269 4.468 1.00 0.00 H new ATOM 82 N LYS A 6 8.190 -0.041 3.574 1.00 0.00 N ATOM 83 CA LYS A 6 9.108 -0.412 2.460 1.00 0.00 C ATOM 84 C LYS A 6 8.530 -1.600 1.693 1.00 0.00 C ATOM 85 O LYS A 6 9.136 -2.649 1.600 1.00 0.00 O ATOM 86 CB LYS A 6 10.423 -0.800 3.134 1.00 0.00 C ATOM 87 CG LYS A 6 11.278 0.450 3.333 1.00 0.00 C ATOM 88 CD LYS A 6 11.911 0.854 2.000 1.00 0.00 C ATOM 89 CE LYS A 6 13.024 1.873 2.250 1.00 0.00 C ATOM 90 NZ LYS A 6 14.024 1.619 1.174 1.00 0.00 N ATOM 0 H LYS A 6 8.008 0.957 3.676 1.00 0.00 H new ATOM 0 HA LYS A 6 9.247 0.401 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.226 -1.276 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.958 -1.526 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.665 1.265 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.055 0.258 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.314 -0.024 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.155 1.280 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.644 2.893 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.465 1.742 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.820 2.280 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.373 0.642 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.577 1.758 0.245 1.00 0.00 H new ATOM 104 N CYS A 7 7.354 -1.444 1.155 1.00 0.00 N ATOM 105 CA CYS A 7 6.723 -2.564 0.403 1.00 0.00 C ATOM 106 C CYS A 7 7.733 -3.220 -0.540 1.00 0.00 C ATOM 107 O CYS A 7 8.456 -2.554 -1.255 1.00 0.00 O ATOM 108 CB CYS A 7 5.592 -1.917 -0.393 1.00 0.00 C ATOM 109 SG CYS A 7 6.258 -0.544 -1.368 1.00 0.00 S ATOM 0 H CYS A 7 6.801 -0.588 1.203 1.00 0.00 H new ATOM 0 HA CYS A 7 6.362 -3.349 1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.127 -2.652 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.816 -1.556 0.282 1.00 0.00 H new ATOM 114 N ARG A 8 7.778 -4.523 -0.552 1.00 0.00 N ATOM 115 CA ARG A 8 8.729 -5.229 -1.454 1.00 0.00 C ATOM 116 C ARG A 8 8.003 -5.661 -2.730 1.00 0.00 C ATOM 117 O ARG A 8 8.606 -5.842 -3.771 1.00 0.00 O ATOM 118 CB ARG A 8 9.197 -6.451 -0.661 1.00 0.00 C ATOM 119 CG ARG A 8 10.293 -6.035 0.322 1.00 0.00 C ATOM 120 CD ARG A 8 9.995 -6.627 1.701 1.00 0.00 C ATOM 121 NE ARG A 8 10.739 -5.763 2.661 1.00 0.00 N ATOM 122 CZ ARG A 8 12.041 -5.706 2.614 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.724 -6.731 2.184 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.661 -4.623 2.999 1.00 0.00 N ATOM 0 H ARG A 8 7.196 -5.130 0.025 1.00 0.00 H new ATOM 0 HA ARG A 8 9.566 -4.600 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.358 -6.890 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.574 -7.215 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.264 -6.381 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.346 -4.948 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.925 -6.620 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.325 -7.664 1.765 1.00 0.00 H new ATOM 0 HE ARG A 8 10.230 -5.216 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.240 -7.577 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.742 -6.686 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.127 -3.822 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.679 -4.578 2.962 1.00 0.00 H new ATOM 138 N GLY A 9 6.711 -5.824 -2.656 1.00 0.00 N ATOM 139 CA GLY A 9 5.940 -6.240 -3.861 1.00 0.00 C ATOM 140 C GLY A 9 4.713 -5.340 -4.016 1.00 0.00 C ATOM 141 O GLY A 9 4.109 -4.926 -3.047 1.00 0.00 O ATOM 0 H GLY A 9 6.155 -5.687 -1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.568 -6.173 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.631 -7.281 -3.767 1.00 0.00 H new ATOM 145 N SER A 10 4.343 -5.032 -5.228 1.00 0.00 N ATOM 146 CA SER A 10 3.156 -4.156 -5.450 1.00 0.00 C ATOM 147 C SER A 10 1.892 -4.784 -4.843 1.00 0.00 C ATOM 148 O SER A 10 1.177 -4.128 -4.111 1.00 0.00 O ATOM 149 CB SER A 10 3.026 -4.041 -6.970 1.00 0.00 C ATOM 150 OG SER A 10 1.683 -4.312 -7.351 1.00 0.00 O ATOM 0 H SER A 10 4.812 -5.349 -6.077 1.00 0.00 H new ATOM 0 HA SER A 10 3.274 -3.182 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.313 -3.041 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.703 -4.742 -7.458 1.00 0.00 H new ATOM 0 HG SER A 10 1.598 -4.237 -8.324 1.00 0.00 H new ATOM 156 N PRO A 11 1.645 -6.032 -5.168 1.00 0.00 N ATOM 157 CA PRO A 11 0.443 -6.726 -4.644 1.00 0.00 C ATOM 158 C PRO A 11 0.500 -6.837 -3.116 1.00 0.00 C ATOM 159 O PRO A 11 -0.506 -7.043 -2.466 1.00 0.00 O ATOM 160 CB PRO A 11 0.533 -8.103 -5.306 1.00 0.00 C ATOM 161 CG PRO A 11 1.790 -8.145 -6.197 1.00 0.00 C ATOM 162 CD PRO A 11 2.535 -6.810 -6.063 1.00 0.00 C ATOM 0 HA PRO A 11 -0.490 -6.207 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.582 -8.884 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.359 -8.294 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.437 -8.970 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.511 -8.319 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.528 -6.941 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.668 -6.321 -7.028 1.00 0.00 H new ATOM 170 N GLU A 12 1.661 -6.700 -2.537 1.00 0.00 N ATOM 171 CA GLU A 12 1.759 -6.796 -1.052 1.00 0.00 C ATOM 172 C GLU A 12 1.111 -5.569 -0.404 1.00 0.00 C ATOM 173 O GLU A 12 0.548 -5.644 0.673 1.00 0.00 O ATOM 174 CB GLU A 12 3.257 -6.838 -0.748 1.00 0.00 C ATOM 175 CG GLU A 12 3.570 -8.086 0.080 1.00 0.00 C ATOM 176 CD GLU A 12 4.585 -7.735 1.168 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.866 -6.560 1.333 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.064 -8.649 1.820 1.00 0.00 O ATOM 0 H GLU A 12 2.541 -6.527 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 12 1.245 -7.674 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.828 -6.851 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.555 -5.942 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.657 -8.474 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.967 -8.872 -0.563 1.00 0.00 H new ATOM 185 N CYS A 13 1.176 -4.440 -1.054 1.00 0.00 N ATOM 186 CA CYS A 13 0.555 -3.219 -0.473 1.00 0.00 C ATOM 187 C CYS A 13 -0.965 -3.384 -0.421 1.00 0.00 C ATOM 188 O CYS A 13 -1.628 -2.847 0.444 1.00 0.00 O ATOM 189 CB CYS A 13 0.950 -2.078 -1.414 1.00 0.00 C ATOM 190 SG CYS A 13 0.916 -0.507 -0.512 1.00 0.00 S ATOM 0 H CYS A 13 1.630 -4.311 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 13 0.889 -3.027 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.947 -2.255 -1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.265 -2.038 -2.261 1.00 0.00 H new ATOM 195 N LEU A 14 -1.526 -4.134 -1.333 1.00 0.00 N ATOM 196 CA LEU A 14 -3.001 -4.338 -1.318 1.00 0.00 C ATOM 197 C LEU A 14 -3.445 -4.776 0.085 1.00 0.00 C ATOM 198 O LEU A 14 -4.227 -4.095 0.717 1.00 0.00 O ATOM 199 CB LEU A 14 -3.272 -5.428 -2.353 1.00 0.00 C ATOM 200 CG LEU A 14 -4.058 -4.834 -3.522 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.086 -4.374 -4.610 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.000 -5.896 -4.095 1.00 0.00 C ATOM 0 H LEU A 14 -1.027 -4.612 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.553 -3.429 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.332 -5.849 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.835 -6.244 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.641 -3.982 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.647 -3.951 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.415 -3.618 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.503 -5.225 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.561 -5.473 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.418 -6.748 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.693 -6.224 -3.320 1.00 0.00 H new ATOM 214 N PRO A 15 -2.918 -5.888 0.547 1.00 0.00 N ATOM 215 CA PRO A 15 -3.262 -6.375 1.901 1.00 0.00 C ATOM 216 C PRO A 15 -2.938 -5.292 2.930 1.00 0.00 C ATOM 217 O PRO A 15 -3.724 -5.003 3.812 1.00 0.00 O ATOM 218 CB PRO A 15 -2.351 -7.596 2.065 1.00 0.00 C ATOM 219 CG PRO A 15 -1.515 -7.763 0.781 1.00 0.00 C ATOM 220 CD PRO A 15 -1.967 -6.709 -0.239 1.00 0.00 C ATOM 0 HA PRO A 15 -4.315 -6.619 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.697 -7.467 2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.947 -8.490 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.454 -7.645 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.645 -8.765 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.130 -6.117 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.445 -7.163 -1.107 1.00 0.00 H new ATOM 228 N LYS A 16 -1.794 -4.671 2.812 1.00 0.00 N ATOM 229 CA LYS A 16 -1.439 -3.590 3.773 1.00 0.00 C ATOM 230 C LYS A 16 -2.509 -2.500 3.713 1.00 0.00 C ATOM 231 O LYS A 16 -2.824 -1.864 4.698 1.00 0.00 O ATOM 232 CB LYS A 16 -0.090 -3.055 3.291 1.00 0.00 C ATOM 233 CG LYS A 16 1.029 -3.974 3.785 1.00 0.00 C ATOM 234 CD LYS A 16 1.300 -3.695 5.265 1.00 0.00 C ATOM 235 CE LYS A 16 2.573 -4.426 5.697 1.00 0.00 C ATOM 236 NZ LYS A 16 3.420 -3.378 6.333 1.00 0.00 N ATOM 0 H LYS A 16 -1.095 -4.865 2.095 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.381 -3.938 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.076 -3.000 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.066 -2.042 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.746 -5.017 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.934 -3.809 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.410 -2.623 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.455 -4.026 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.348 -5.231 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.078 -4.878 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.415 -3.679 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.320 -2.486 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.116 -3.236 7.318 1.00 0.00 H new ATOM 250 N CYS A 17 -3.075 -2.292 2.555 1.00 0.00 N ATOM 251 CA CYS A 17 -4.136 -1.256 2.412 1.00 0.00 C ATOM 252 C CYS A 17 -5.394 -1.698 3.163 1.00 0.00 C ATOM 253 O CYS A 17 -6.063 -0.906 3.798 1.00 0.00 O ATOM 254 CB CYS A 17 -4.410 -1.182 0.909 1.00 0.00 C ATOM 255 SG CYS A 17 -4.771 0.528 0.442 1.00 0.00 S ATOM 0 H CYS A 17 -2.847 -2.797 1.699 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.838 -0.290 2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.546 -1.547 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.251 -1.826 0.650 1.00 0.00 H new ATOM 260 N LYS A 18 -5.718 -2.961 3.097 1.00 0.00 N ATOM 261 CA LYS A 18 -6.928 -3.464 3.807 1.00 0.00 C ATOM 262 C LYS A 18 -6.709 -3.415 5.321 1.00 0.00 C ATOM 263 O LYS A 18 -7.646 -3.417 6.095 1.00 0.00 O ATOM 264 CB LYS A 18 -7.088 -4.909 3.334 1.00 0.00 C ATOM 265 CG LYS A 18 -8.505 -5.397 3.638 1.00 0.00 C ATOM 266 CD LYS A 18 -8.556 -6.920 3.509 1.00 0.00 C ATOM 267 CE LYS A 18 -9.233 -7.515 4.747 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.113 -7.970 5.617 1.00 0.00 N ATOM 0 H LYS A 18 -5.195 -3.668 2.580 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.813 -2.865 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.892 -4.975 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.358 -5.548 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.797 -5.096 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.215 -4.939 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.105 -7.201 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.548 -7.321 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.851 -6.774 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.887 -8.345 4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.498 -8.390 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.547 -8.680 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.511 -7.158 5.862 1.00 0.00 H new ATOM 282 N GLU A 19 -5.477 -3.375 5.750 1.00 0.00 N ATOM 283 CA GLU A 19 -5.196 -3.329 7.213 1.00 0.00 C ATOM 284 C GLU A 19 -4.791 -1.913 7.633 1.00 0.00 C ATOM 285 O GLU A 19 -4.699 -1.605 8.805 1.00 0.00 O ATOM 286 CB GLU A 19 -4.036 -4.303 7.423 1.00 0.00 C ATOM 287 CG GLU A 19 -4.118 -4.903 8.828 1.00 0.00 C ATOM 288 CD GLU A 19 -3.080 -6.017 8.970 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.305 -6.199 8.046 1.00 0.00 O ATOM 290 OE2 GLU A 19 -3.077 -6.670 10.001 1.00 0.00 O ATOM 0 H GLU A 19 -4.652 -3.372 5.150 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.068 -3.597 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.073 -5.095 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.085 -3.786 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.941 -4.130 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.118 -5.298 9.008 1.00 0.00 H new ATOM 297 N ALA A 20 -4.546 -1.049 6.686 1.00 0.00 N ATOM 298 CA ALA A 20 -4.146 0.346 7.035 1.00 0.00 C ATOM 299 C ALA A 20 -5.276 1.320 6.690 1.00 0.00 C ATOM 300 O ALA A 20 -5.728 2.082 7.522 1.00 0.00 O ATOM 301 CB ALA A 20 -2.911 0.629 6.179 1.00 0.00 C ATOM 0 H ALA A 20 -4.605 -1.247 5.687 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.939 0.464 8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.554 1.640 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.127 -0.087 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.170 0.537 5.124 1.00 0.00 H new ATOM 307 N ILE A 21 -5.741 1.299 5.471 1.00 0.00 N ATOM 308 CA ILE A 21 -6.844 2.221 5.077 1.00 0.00 C ATOM 309 C ILE A 21 -8.159 1.444 4.964 1.00 0.00 C ATOM 310 O ILE A 21 -9.227 2.018 4.885 1.00 0.00 O ATOM 311 CB ILE A 21 -6.429 2.779 3.716 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.460 3.809 3.251 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.354 1.641 2.699 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.994 4.438 1.936 1.00 0.00 C ATOM 0 H ILE A 21 -5.405 0.683 4.731 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.003 3.015 5.807 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.452 3.255 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.431 3.332 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.588 4.580 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.058 2.039 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.620 0.906 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.331 1.165 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.728 5.172 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.033 4.929 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.889 3.661 1.178 1.00 0.00 H new ATOM 326 N GLY A 22 -8.087 0.141 4.962 1.00 0.00 N ATOM 327 CA GLY A 22 -9.329 -0.677 4.862 1.00 0.00 C ATOM 328 C GLY A 22 -9.960 -0.495 3.479 1.00 0.00 C ATOM 329 O GLY A 22 -11.162 -0.370 3.348 1.00 0.00 O ATOM 0 H GLY A 22 -7.220 -0.393 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.097 -1.729 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.036 -0.378 5.636 1.00 0.00 H new ATOM 333 N LYS A 23 -9.163 -0.478 2.447 1.00 0.00 N ATOM 334 CA LYS A 23 -9.724 -0.304 1.076 1.00 0.00 C ATOM 335 C LYS A 23 -9.077 -1.299 0.106 1.00 0.00 C ATOM 336 O LYS A 23 -9.371 -1.308 -1.074 1.00 0.00 O ATOM 337 CB LYS A 23 -9.379 1.134 0.687 1.00 0.00 C ATOM 338 CG LYS A 23 -9.917 1.432 -0.716 1.00 0.00 C ATOM 339 CD LYS A 23 -11.365 0.946 -0.826 1.00 0.00 C ATOM 340 CE LYS A 23 -12.077 1.706 -1.950 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.509 1.740 -1.543 1.00 0.00 N ATOM 0 H LYS A 23 -8.149 -0.577 2.492 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.798 -0.487 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.810 1.829 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.299 1.278 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.866 2.502 -0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.299 0.938 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.386 -0.125 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.885 1.103 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.674 2.713 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.951 1.203 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.063 2.245 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.867 0.768 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.599 2.231 -0.630 1.00 0.00 H new ATOM 355 N ALA A 24 -8.202 -2.137 0.595 1.00 0.00 N ATOM 356 CA ALA A 24 -7.534 -3.136 -0.291 1.00 0.00 C ATOM 357 C ALA A 24 -7.193 -2.508 -1.645 1.00 0.00 C ATOM 358 O ALA A 24 -7.451 -3.078 -2.686 1.00 0.00 O ATOM 359 CB ALA A 24 -8.556 -4.259 -0.463 1.00 0.00 C ATOM 0 H ALA A 24 -7.920 -2.173 1.574 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.597 -3.497 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.139 -5.035 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.797 -4.684 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.462 -3.860 -0.919 1.00 0.00 H new ATOM 365 N ALA A 25 -6.618 -1.337 -1.639 1.00 0.00 N ATOM 366 CA ALA A 25 -6.263 -0.674 -2.926 1.00 0.00 C ATOM 367 C ALA A 25 -4.989 0.158 -2.762 1.00 0.00 C ATOM 368 O ALA A 25 -5.037 1.334 -2.459 1.00 0.00 O ATOM 369 CB ALA A 25 -7.456 0.227 -3.247 1.00 0.00 C ATOM 0 H ALA A 25 -6.379 -0.810 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.069 -1.394 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.273 0.753 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.356 -0.381 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.591 0.952 -2.444 1.00 0.00 H new ATOM 375 N GLY A 26 -3.847 -0.444 -2.960 1.00 0.00 N ATOM 376 CA GLY A 26 -2.569 0.311 -2.817 1.00 0.00 C ATOM 377 C GLY A 26 -1.492 -0.339 -3.689 1.00 0.00 C ATOM 378 O GLY A 26 -1.712 -1.366 -4.300 1.00 0.00 O ATOM 0 H GLY A 26 -3.744 -1.426 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.713 1.350 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.253 0.317 -1.774 1.00 0.00 H new ATOM 382 N LYS A 27 -0.330 0.250 -3.750 1.00 0.00 N ATOM 383 CA LYS A 27 0.760 -0.336 -4.584 1.00 0.00 C ATOM 384 C LYS A 27 2.124 -0.084 -3.936 1.00 0.00 C ATOM 385 O LYS A 27 2.214 0.332 -2.796 1.00 0.00 O ATOM 386 CB LYS A 27 0.668 0.389 -5.928 1.00 0.00 C ATOM 387 CG LYS A 27 -0.737 0.219 -6.505 1.00 0.00 C ATOM 388 CD LYS A 27 -0.714 0.515 -8.007 1.00 0.00 C ATOM 389 CE LYS A 27 -1.335 1.890 -8.266 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.238 2.702 -8.865 1.00 0.00 N ATOM 0 H LYS A 27 -0.087 1.111 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 27 0.655 -1.415 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.894 1.447 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.408 -0.012 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.093 -0.796 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.432 0.892 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.311 0.491 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.266 -0.253 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.187 1.817 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.699 2.339 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.588 3.660 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.556 2.760 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.084 2.254 -9.747 1.00 0.00 H new ATOM 404 N CYS A 28 3.184 -0.331 -4.655 1.00 0.00 N ATOM 405 CA CYS A 28 4.542 -0.106 -4.082 1.00 0.00 C ATOM 406 C CYS A 28 5.350 0.825 -4.992 1.00 0.00 C ATOM 407 O CYS A 28 5.807 0.434 -6.048 1.00 0.00 O ATOM 408 CB CYS A 28 5.184 -1.492 -4.026 1.00 0.00 C ATOM 409 SG CYS A 28 6.754 -1.391 -3.133 1.00 0.00 S ATOM 0 H CYS A 28 3.169 -0.679 -5.614 1.00 0.00 H new ATOM 0 HA CYS A 28 4.504 0.364 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.515 -2.195 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.350 -1.869 -5.035 1.00 0.00 H new ATOM 414 N MET A 29 5.530 2.053 -4.589 1.00 0.00 N ATOM 415 CA MET A 29 6.308 3.008 -5.430 1.00 0.00 C ATOM 416 C MET A 29 7.406 3.676 -4.598 1.00 0.00 C ATOM 417 O MET A 29 7.191 4.070 -3.469 1.00 0.00 O ATOM 418 CB MET A 29 5.289 4.049 -5.898 1.00 0.00 C ATOM 419 CG MET A 29 5.629 4.497 -7.321 1.00 0.00 C ATOM 420 SD MET A 29 4.826 3.391 -8.509 1.00 0.00 S ATOM 421 CE MET A 29 6.303 2.458 -8.981 1.00 0.00 C ATOM 0 H MET A 29 5.172 2.437 -3.714 1.00 0.00 H new ATOM 0 HA MET A 29 6.799 2.511 -6.266 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.284 3.628 -5.869 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.295 4.906 -5.225 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.296 5.523 -7.480 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.709 4.485 -7.469 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.360 2.393 -10.068 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.190 2.964 -8.601 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.249 1.454 -8.560 1.00 0.00 H new ATOM 431 N ASN A 30 8.581 3.808 -5.149 1.00 0.00 N ATOM 432 CA ASN A 30 9.691 4.455 -4.391 1.00 0.00 C ATOM 433 C ASN A 30 9.924 3.730 -3.064 1.00 0.00 C ATOM 434 O ASN A 30 10.375 4.314 -2.099 1.00 0.00 O ATOM 435 CB ASN A 30 9.215 5.887 -4.145 1.00 0.00 C ATOM 436 CG ASN A 30 9.941 6.837 -5.098 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.328 7.694 -5.703 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.230 6.720 -5.259 1.00 0.00 N ATOM 0 H ASN A 30 8.821 3.497 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 30 10.635 4.425 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.138 5.955 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.409 6.173 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.724 7.348 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.744 6.000 -4.751 1.00 0.00 H new ATOM 445 N GLY A 31 9.621 2.462 -3.006 1.00 0.00 N ATOM 446 CA GLY A 31 9.827 1.705 -1.740 1.00 0.00 C ATOM 447 C GLY A 31 8.817 2.177 -0.692 1.00 0.00 C ATOM 448 O GLY A 31 9.124 2.275 0.480 1.00 0.00 O ATOM 0 H GLY A 31 9.240 1.918 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.708 0.636 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.843 1.856 -1.375 1.00 0.00 H new ATOM 452 N LYS A 32 7.614 2.469 -1.105 1.00 0.00 N ATOM 453 CA LYS A 32 6.582 2.934 -0.132 1.00 0.00 C ATOM 454 C LYS A 32 5.229 2.294 -0.457 1.00 0.00 C ATOM 455 O LYS A 32 4.937 1.978 -1.594 1.00 0.00 O ATOM 456 CB LYS A 32 6.517 4.452 -0.314 1.00 0.00 C ATOM 457 CG LYS A 32 7.794 5.091 0.237 1.00 0.00 C ATOM 458 CD LYS A 32 7.458 5.924 1.476 1.00 0.00 C ATOM 459 CE LYS A 32 8.030 7.335 1.312 1.00 0.00 C ATOM 460 NZ LYS A 32 6.880 8.162 0.852 1.00 0.00 N ATOM 0 H LYS A 32 7.300 2.406 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 32 6.827 2.660 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.402 4.697 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.645 4.853 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.519 4.318 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.255 5.721 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.378 5.972 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.872 5.453 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.435 7.709 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.843 7.350 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.192 9.145 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.520 7.786 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.124 8.134 1.566 1.00 0.00 H new ATOM 474 N CYS A 33 4.401 2.100 0.533 1.00 0.00 N ATOM 475 CA CYS A 33 3.070 1.477 0.280 1.00 0.00 C ATOM 476 C CYS A 33 2.023 2.561 0.005 1.00 0.00 C ATOM 477 O CYS A 33 1.571 3.241 0.904 1.00 0.00 O ATOM 478 CB CYS A 33 2.744 0.726 1.568 1.00 0.00 C ATOM 479 SG CYS A 33 1.984 -0.867 1.166 1.00 0.00 S ATOM 0 H CYS A 33 4.588 2.346 1.505 1.00 0.00 H new ATOM 0 HA CYS A 33 3.075 0.818 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.652 0.570 2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.068 1.318 2.185 1.00 0.00 H new ATOM 484 N LYS A 34 1.638 2.728 -1.231 1.00 0.00 N ATOM 485 CA LYS A 34 0.626 3.774 -1.561 1.00 0.00 C ATOM 486 C LYS A 34 -0.790 3.197 -1.475 1.00 0.00 C ATOM 487 O LYS A 34 -0.991 2.001 -1.549 1.00 0.00 O ATOM 488 CB LYS A 34 0.946 4.197 -2.994 1.00 0.00 C ATOM 489 CG LYS A 34 1.913 5.381 -2.975 1.00 0.00 C ATOM 490 CD LYS A 34 2.603 5.495 -4.336 1.00 0.00 C ATOM 491 CE LYS A 34 1.988 6.653 -5.125 1.00 0.00 C ATOM 492 NZ LYS A 34 2.739 6.684 -6.410 1.00 0.00 N ATOM 0 H LYS A 34 1.979 2.187 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 34 0.665 4.614 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.387 3.363 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.029 4.471 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.374 6.301 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.656 5.246 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.672 5.660 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.492 4.563 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.923 6.494 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.088 7.595 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.374 7.454 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.749 6.843 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.619 5.777 -6.904 1.00 0.00 H new ATOM 506 N CYS A 35 -1.772 4.043 -1.320 1.00 0.00 N ATOM 507 CA CYS A 35 -3.178 3.554 -1.229 1.00 0.00 C ATOM 508 C CYS A 35 -4.152 4.659 -1.647 1.00 0.00 C ATOM 509 O CYS A 35 -3.853 5.833 -1.546 1.00 0.00 O ATOM 510 CB CYS A 35 -3.374 3.197 0.244 1.00 0.00 C ATOM 511 SG CYS A 35 -2.976 1.451 0.499 1.00 0.00 S ATOM 0 H CYS A 35 -1.661 5.055 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.364 2.704 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.736 3.822 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.403 3.394 0.543 1.00 0.00 H new ATOM 516 N TYR A 36 -5.314 4.293 -2.114 1.00 0.00 N ATOM 517 CA TYR A 36 -6.306 5.323 -2.536 1.00 0.00 C ATOM 518 C TYR A 36 -7.413 5.449 -1.482 1.00 0.00 C ATOM 519 O TYR A 36 -7.705 4.501 -0.780 1.00 0.00 O ATOM 520 CB TYR A 36 -6.880 4.804 -3.855 1.00 0.00 C ATOM 521 CG TYR A 36 -6.014 5.270 -5.002 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.857 4.558 -5.340 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.370 6.413 -5.727 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.056 4.988 -6.405 1.00 0.00 C ATOM 525 CE2 TYR A 36 -5.569 6.844 -6.791 1.00 0.00 C ATOM 526 CZ TYR A 36 -4.413 6.131 -7.131 1.00 0.00 C ATOM 527 OH TYR A 36 -3.623 6.555 -8.180 1.00 0.00 O ATOM 0 H TYR A 36 -5.620 3.326 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.857 6.310 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.926 3.715 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.900 5.165 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.582 3.677 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.262 6.962 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.164 4.439 -6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.843 7.727 -7.350 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.013 7.362 -8.578 1.00 0.00 H new ATOM 537 N PRO A 37 -7.998 6.620 -1.400 1.00 0.00 N ATOM 538 CA PRO A 37 -9.083 6.864 -0.419 1.00 0.00 C ATOM 539 C PRO A 37 -10.269 5.930 -0.683 1.00 0.00 C ATOM 540 O PRO A 37 -11.109 5.809 0.193 1.00 0.00 O ATOM 541 CB PRO A 37 -9.461 8.323 -0.690 1.00 0.00 C ATOM 542 CG PRO A 37 -8.573 8.862 -1.828 1.00 0.00 C ATOM 543 CD PRO A 37 -7.611 7.751 -2.275 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.317 5.355 -1.758 1.00 0.00 O ATOM 0 HA PRO A 37 -8.788 6.681 0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.513 8.396 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.325 8.922 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.190 9.187 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.012 9.733 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.734 7.508 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.568 8.036 -2.133 1.00 0.00 H new