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= -0.743 X(o=-0.74,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.606 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -173:sc= 0 (180deg=-0.0117) USER MOD Single : A 30 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= -0.132 (180deg=-0.878) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 1.876 5.312 3.285 1.00 0.00 N ATOM 40 CA ILE A 3 2.646 4.985 4.522 1.00 0.00 C ATOM 41 C ILE A 3 4.040 4.467 4.153 1.00 0.00 C ATOM 42 O ILE A 3 4.257 3.943 3.076 1.00 0.00 O ATOM 43 CB ILE A 3 1.836 3.898 5.231 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.315 2.886 4.206 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.654 4.539 5.962 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.519 1.796 4.925 1.00 0.00 C ATOM 0 HA ILE A 3 2.788 5.858 5.159 1.00 0.00 H new ATOM 0 HB ILE A 3 2.475 3.384 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.684 3.388 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.148 2.443 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.076 3.765 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.025 5.254 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.018 5.055 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.148 1.076 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.164 1.288 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.323 2.247 5.450 1.00 0.00 H new ATOM 58 N ASN A 4 4.989 4.617 5.039 1.00 0.00 N ATOM 59 CA ASN A 4 6.373 4.143 4.744 1.00 0.00 C ATOM 60 C ASN A 4 6.447 2.614 4.786 1.00 0.00 C ATOM 61 O ASN A 4 7.496 2.035 4.589 1.00 0.00 O ATOM 62 CB ASN A 4 7.242 4.749 5.847 1.00 0.00 C ATOM 63 CG ASN A 4 6.874 4.118 7.191 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.437 3.114 7.578 1.00 0.00 O ATOM 65 ND2 ASN A 4 5.944 4.668 7.923 1.00 0.00 N ATOM 0 H ASN A 4 4.865 5.048 5.955 1.00 0.00 H new ATOM 0 HA ASN A 4 6.700 4.442 3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.296 4.578 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.096 5.828 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.690 4.255 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.471 5.511 7.598 1.00 0.00 H new ATOM 72 N ALA A 5 5.348 1.956 5.042 1.00 0.00 N ATOM 73 CA ALA A 5 5.369 0.466 5.093 1.00 0.00 C ATOM 74 C ALA A 5 6.225 -0.087 3.949 1.00 0.00 C ATOM 75 O ALA A 5 5.818 -0.097 2.804 1.00 0.00 O ATOM 76 CB ALA A 5 3.910 0.045 4.923 1.00 0.00 C ATOM 0 H ALA A 5 4.439 2.385 5.218 1.00 0.00 H new ATOM 0 HA ALA A 5 5.796 0.088 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.840 -1.042 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.313 0.467 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.535 0.410 3.967 1.00 0.00 H new ATOM 82 N LYS A 6 7.411 -0.539 4.251 1.00 0.00 N ATOM 83 CA LYS A 6 8.297 -1.082 3.181 1.00 0.00 C ATOM 84 C LYS A 6 7.604 -2.232 2.445 1.00 0.00 C ATOM 85 O LYS A 6 7.575 -3.354 2.912 1.00 0.00 O ATOM 86 CB LYS A 6 9.540 -1.587 3.915 1.00 0.00 C ATOM 87 CG LYS A 6 10.780 -0.866 3.381 1.00 0.00 C ATOM 88 CD LYS A 6 11.861 -1.893 3.038 1.00 0.00 C ATOM 89 CE LYS A 6 13.080 -1.179 2.450 1.00 0.00 C ATOM 90 NZ LYS A 6 13.438 -1.965 1.235 1.00 0.00 N ATOM 0 H LYS A 6 7.805 -0.556 5.192 1.00 0.00 H new ATOM 0 HA LYS A 6 8.542 -0.331 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.438 -1.412 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.645 -2.663 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.522 -0.284 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.154 -0.164 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.148 -2.447 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.473 -2.619 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.847 -0.145 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.905 -1.155 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.267 -1.536 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.661 -2.944 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.636 -1.964 0.572 1.00 0.00 H new ATOM 104 N CYS A 7 7.050 -1.961 1.297 1.00 0.00 N ATOM 105 CA CYS A 7 6.361 -3.038 0.526 1.00 0.00 C ATOM 106 C CYS A 7 7.386 -4.032 -0.028 1.00 0.00 C ATOM 107 O CYS A 7 8.525 -4.062 0.392 1.00 0.00 O ATOM 108 CB CYS A 7 5.638 -2.319 -0.616 1.00 0.00 C ATOM 109 SG CYS A 7 6.809 -1.274 -1.519 1.00 0.00 S ATOM 0 H CYS A 7 7.043 -1.041 0.857 1.00 0.00 H new ATOM 0 HA CYS A 7 5.669 -3.607 1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.190 -3.048 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.825 -1.711 -0.219 1.00 0.00 H new ATOM 114 N ARG A 8 6.989 -4.846 -0.968 1.00 0.00 N ATOM 115 CA ARG A 8 7.942 -5.838 -1.545 1.00 0.00 C ATOM 116 C ARG A 8 7.925 -5.765 -3.074 1.00 0.00 C ATOM 117 O ARG A 8 8.950 -5.856 -3.720 1.00 0.00 O ATOM 118 CB ARG A 8 7.432 -7.199 -1.070 1.00 0.00 C ATOM 119 CG ARG A 8 8.132 -7.580 0.237 1.00 0.00 C ATOM 120 CD ARG A 8 8.611 -9.031 0.155 1.00 0.00 C ATOM 121 NE ARG A 8 9.915 -9.047 0.874 1.00 0.00 N ATOM 122 CZ ARG A 8 9.954 -9.309 2.152 1.00 0.00 C ATOM 123 NH1 ARG A 8 9.711 -8.365 3.020 1.00 0.00 N ATOM 124 NH2 ARG A 8 10.233 -10.516 2.563 1.00 0.00 N ATOM 0 H ARG A 8 6.048 -4.868 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 8 8.969 -5.653 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.353 -7.162 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.622 -7.956 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.978 -6.916 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.448 -7.458 1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.896 -9.710 0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.727 -9.350 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 8 10.779 -8.853 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.490 -7.422 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.742 -8.570 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.421 -11.255 1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.263 -10.720 3.562 1.00 0.00 H new ATOM 138 N GLY A 9 6.769 -5.603 -3.658 1.00 0.00 N ATOM 139 CA GLY A 9 6.689 -5.527 -5.145 1.00 0.00 C ATOM 140 C GLY A 9 5.413 -4.788 -5.553 1.00 0.00 C ATOM 141 O GLY A 9 5.450 -3.833 -6.302 1.00 0.00 O ATOM 0 H GLY A 9 5.877 -5.520 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.563 -5.010 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.692 -6.530 -5.571 1.00 0.00 H new ATOM 145 N SER A 10 4.281 -5.222 -5.066 1.00 0.00 N ATOM 146 CA SER A 10 3.004 -4.540 -5.426 1.00 0.00 C ATOM 147 C SER A 10 1.797 -5.356 -4.940 1.00 0.00 C ATOM 148 O SER A 10 0.966 -4.843 -4.217 1.00 0.00 O ATOM 149 CB SER A 10 3.012 -4.443 -6.952 1.00 0.00 C ATOM 150 OG SER A 10 1.722 -4.766 -7.450 1.00 0.00 O ATOM 0 H SER A 10 4.185 -6.018 -4.435 1.00 0.00 H new ATOM 0 HA SER A 10 2.924 -3.558 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.293 -3.436 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.755 -5.123 -7.367 1.00 0.00 H new ATOM 0 HG SER A 10 1.724 -4.703 -8.428 1.00 0.00 H new ATOM 156 N PRO A 11 1.728 -6.605 -5.345 1.00 0.00 N ATOM 157 CA PRO A 11 0.600 -7.473 -4.930 1.00 0.00 C ATOM 158 C PRO A 11 0.550 -7.604 -3.404 1.00 0.00 C ATOM 159 O PRO A 11 -0.423 -8.070 -2.844 1.00 0.00 O ATOM 160 CB PRO A 11 0.941 -8.811 -5.590 1.00 0.00 C ATOM 161 CG PRO A 11 2.259 -8.657 -6.373 1.00 0.00 C ATOM 162 CD PRO A 11 2.754 -7.213 -6.228 1.00 0.00 C ATOM 0 HA PRO A 11 -0.377 -7.088 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.040 -9.590 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.138 -9.117 -6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.007 -9.352 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.104 -8.899 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.749 -7.168 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.812 -6.706 -7.191 1.00 0.00 H new ATOM 170 N GLU A 12 1.588 -7.197 -2.725 1.00 0.00 N ATOM 171 CA GLU A 12 1.590 -7.300 -1.237 1.00 0.00 C ATOM 172 C GLU A 12 1.073 -5.997 -0.619 1.00 0.00 C ATOM 173 O GLU A 12 0.648 -5.962 0.519 1.00 0.00 O ATOM 174 CB GLU A 12 3.052 -7.532 -0.855 1.00 0.00 C ATOM 175 CG GLU A 12 3.599 -8.729 -1.635 1.00 0.00 C ATOM 176 CD GLU A 12 4.752 -9.364 -0.855 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.091 -8.841 0.194 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.276 -10.363 -1.320 1.00 0.00 O ATOM 0 H GLU A 12 2.433 -6.799 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 12 0.945 -8.102 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.642 -6.642 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.135 -7.714 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.809 -9.462 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.944 -8.409 -2.618 1.00 0.00 H new ATOM 185 N CYS A 13 1.104 -4.926 -1.363 1.00 0.00 N ATOM 186 CA CYS A 13 0.614 -3.628 -0.820 1.00 0.00 C ATOM 187 C CYS A 13 -0.911 -3.648 -0.685 1.00 0.00 C ATOM 188 O CYS A 13 -1.465 -3.128 0.263 1.00 0.00 O ATOM 189 CB CYS A 13 1.050 -2.578 -1.840 1.00 0.00 C ATOM 190 SG CYS A 13 2.239 -1.452 -1.070 1.00 0.00 S ATOM 0 H CYS A 13 1.447 -4.894 -2.323 1.00 0.00 H new ATOM 0 HA CYS A 13 1.015 -3.421 0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.499 -3.062 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.184 -2.021 -2.198 1.00 0.00 H new ATOM 195 N LEU A 14 -1.596 -4.248 -1.621 1.00 0.00 N ATOM 196 CA LEU A 14 -3.080 -4.297 -1.531 1.00 0.00 C ATOM 197 C LEU A 14 -3.505 -4.792 -0.142 1.00 0.00 C ATOM 198 O LEU A 14 -4.236 -4.113 0.551 1.00 0.00 O ATOM 199 CB LEU A 14 -3.516 -5.270 -2.626 1.00 0.00 C ATOM 200 CG LEU A 14 -4.188 -4.492 -3.759 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.117 -3.815 -4.616 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.001 -5.456 -4.627 1.00 0.00 C ATOM 0 H LEU A 14 -1.193 -4.704 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.540 -3.318 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.653 -5.816 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.206 -6.009 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.850 -3.735 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.594 -3.260 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.537 -3.129 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.456 -4.572 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.480 -4.903 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.339 -6.213 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.763 -5.940 -4.017 1.00 0.00 H new ATOM 214 N PRO A 15 -3.025 -5.955 0.239 1.00 0.00 N ATOM 215 CA PRO A 15 -3.361 -6.509 1.571 1.00 0.00 C ATOM 216 C PRO A 15 -2.870 -5.559 2.666 1.00 0.00 C ATOM 217 O PRO A 15 -3.524 -5.363 3.672 1.00 0.00 O ATOM 218 CB PRO A 15 -2.585 -7.828 1.598 1.00 0.00 C ATOM 219 CG PRO A 15 -1.824 -7.981 0.268 1.00 0.00 C ATOM 220 CD PRO A 15 -2.135 -6.771 -0.622 1.00 0.00 C ATOM 0 HA PRO A 15 -4.429 -6.644 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.888 -7.839 2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.268 -8.665 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.752 -8.048 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.120 -8.903 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.231 -6.229 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.627 -7.066 -1.549 1.00 0.00 H new ATOM 228 N LYS A 16 -1.724 -4.963 2.474 1.00 0.00 N ATOM 229 CA LYS A 16 -1.192 -4.022 3.498 1.00 0.00 C ATOM 230 C LYS A 16 -2.117 -2.810 3.622 1.00 0.00 C ATOM 231 O LYS A 16 -2.575 -2.476 4.698 1.00 0.00 O ATOM 232 CB LYS A 16 0.181 -3.600 2.976 1.00 0.00 C ATOM 233 CG LYS A 16 1.157 -4.770 3.117 1.00 0.00 C ATOM 234 CD LYS A 16 1.639 -4.859 4.565 1.00 0.00 C ATOM 235 CE LYS A 16 3.008 -5.541 4.603 1.00 0.00 C ATOM 236 NZ LYS A 16 3.396 -5.543 6.041 1.00 0.00 N ATOM 0 H LYS A 16 -1.134 -5.088 1.651 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.126 -4.477 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.108 -3.296 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.546 -2.738 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.670 -5.701 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.006 -4.632 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.705 -3.862 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.923 -5.422 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.955 -6.555 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.736 -5.000 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.326 -5.995 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.445 -4.564 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.688 -6.071 6.591 1.00 0.00 H new ATOM 250 N CYS A 17 -2.403 -2.152 2.532 1.00 0.00 N ATOM 251 CA CYS A 17 -3.308 -0.971 2.601 1.00 0.00 C ATOM 252 C CYS A 17 -4.619 -1.372 3.286 1.00 0.00 C ATOM 253 O CYS A 17 -5.176 -0.626 4.066 1.00 0.00 O ATOM 254 CB CYS A 17 -3.563 -0.567 1.147 1.00 0.00 C ATOM 255 SG CYS A 17 -2.056 0.146 0.437 1.00 0.00 S ATOM 0 H CYS A 17 -2.051 -2.380 1.602 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.877 -0.149 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.874 -1.436 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.377 0.156 1.098 1.00 0.00 H new ATOM 260 N LYS A 18 -5.107 -2.552 3.006 1.00 0.00 N ATOM 261 CA LYS A 18 -6.375 -3.008 3.645 1.00 0.00 C ATOM 262 C LYS A 18 -6.238 -2.955 5.168 1.00 0.00 C ATOM 263 O LYS A 18 -7.116 -2.485 5.864 1.00 0.00 O ATOM 264 CB LYS A 18 -6.563 -4.452 3.172 1.00 0.00 C ATOM 265 CG LYS A 18 -7.855 -5.021 3.764 1.00 0.00 C ATOM 266 CD LYS A 18 -8.991 -4.869 2.750 1.00 0.00 C ATOM 267 CE LYS A 18 -9.676 -6.220 2.537 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.094 -5.885 2.230 1.00 0.00 N ATOM 0 H LYS A 18 -4.682 -3.219 2.362 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.225 -2.381 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.604 -4.487 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.712 -5.060 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.719 -6.072 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.105 -4.499 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.714 -4.136 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.599 -4.496 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.214 -6.773 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.601 -6.846 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.631 -6.761 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.509 -5.365 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.134 -5.294 1.375 1.00 0.00 H new ATOM 282 N GLU A 19 -5.139 -3.427 5.689 1.00 0.00 N ATOM 283 CA GLU A 19 -4.941 -3.397 7.166 1.00 0.00 C ATOM 284 C GLU A 19 -4.536 -1.988 7.609 1.00 0.00 C ATOM 285 O GLU A 19 -4.474 -1.690 8.786 1.00 0.00 O ATOM 286 CB GLU A 19 -3.812 -4.392 7.440 1.00 0.00 C ATOM 287 CG GLU A 19 -4.150 -5.740 6.800 1.00 0.00 C ATOM 288 CD GLU A 19 -5.194 -6.464 7.651 1.00 0.00 C ATOM 289 OE1 GLU A 19 -4.836 -6.936 8.718 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.334 -6.534 7.222 1.00 0.00 O ATOM 0 H GLU A 19 -4.369 -3.832 5.156 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.848 -3.657 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.873 -4.012 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.673 -4.513 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.531 -5.589 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.250 -6.349 6.714 1.00 0.00 H new ATOM 297 N ALA A 20 -4.257 -1.121 6.674 1.00 0.00 N ATOM 298 CA ALA A 20 -3.854 0.267 7.039 1.00 0.00 C ATOM 299 C ALA A 20 -5.014 1.239 6.802 1.00 0.00 C ATOM 300 O ALA A 20 -5.377 2.008 7.670 1.00 0.00 O ATOM 301 CB ALA A 20 -2.684 0.594 6.111 1.00 0.00 C ATOM 0 H ALA A 20 -4.291 -1.314 5.673 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.580 0.353 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.328 1.603 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.876 -0.118 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.013 0.530 5.074 1.00 0.00 H new ATOM 307 N ILE A 21 -5.599 1.213 5.634 1.00 0.00 N ATOM 308 CA ILE A 21 -6.734 2.139 5.349 1.00 0.00 C ATOM 309 C ILE A 21 -8.068 1.406 5.504 1.00 0.00 C ATOM 310 O ILE A 21 -9.085 2.006 5.793 1.00 0.00 O ATOM 311 CB ILE A 21 -6.532 2.589 3.900 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.452 3.775 3.603 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.873 1.441 2.950 1.00 0.00 C ATOM 314 CD1 ILE A 21 -7.158 4.309 2.200 1.00 0.00 C ATOM 0 H ILE A 21 -5.341 0.592 4.867 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.756 2.985 6.036 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.492 2.883 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.495 3.467 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.300 4.561 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.728 1.766 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.222 0.591 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.912 1.146 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.813 5.154 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.119 4.633 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.333 3.521 1.467 1.00 0.00 H new ATOM 326 N GLY A 22 -8.076 0.116 5.314 1.00 0.00 N ATOM 327 CA GLY A 22 -9.348 -0.646 5.454 1.00 0.00 C ATOM 328 C GLY A 22 -9.650 -1.391 4.153 1.00 0.00 C ATOM 329 O GLY A 22 -10.282 -2.427 4.155 1.00 0.00 O ATOM 0 H GLY A 22 -7.259 -0.443 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.270 -1.353 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.166 0.034 5.693 1.00 0.00 H new ATOM 333 N LYS A 23 -9.203 -0.872 3.039 1.00 0.00 N ATOM 334 CA LYS A 23 -9.467 -1.556 1.739 1.00 0.00 C ATOM 335 C LYS A 23 -8.170 -1.679 0.935 1.00 0.00 C ATOM 336 O LYS A 23 -7.300 -0.835 1.008 1.00 0.00 O ATOM 337 CB LYS A 23 -10.467 -0.659 1.008 1.00 0.00 C ATOM 338 CG LYS A 23 -11.889 -1.002 1.459 1.00 0.00 C ATOM 339 CD LYS A 23 -12.206 -0.263 2.760 1.00 0.00 C ATOM 340 CE LYS A 23 -13.432 0.629 2.556 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.744 1.171 3.908 1.00 0.00 N ATOM 0 H LYS A 23 -8.668 -0.006 2.974 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.854 -2.565 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.251 0.389 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.373 -0.795 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.604 -0.721 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.985 -2.078 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.393 -0.979 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.351 0.340 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.223 1.431 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.271 0.061 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.575 1.793 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.945 0.385 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.930 1.713 4.261 1.00 0.00 H new ATOM 355 N ALA A 24 -8.036 -2.724 0.165 1.00 0.00 N ATOM 356 CA ALA A 24 -6.795 -2.899 -0.643 1.00 0.00 C ATOM 357 C ALA A 24 -6.869 -2.052 -1.916 1.00 0.00 C ATOM 358 O ALA A 24 -7.419 -2.466 -2.918 1.00 0.00 O ATOM 359 CB ALA A 24 -6.754 -4.389 -0.988 1.00 0.00 C ATOM 0 H ALA A 24 -8.731 -3.463 0.060 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.902 -2.582 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.866 -4.600 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.721 -4.974 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.645 -4.655 -1.557 1.00 0.00 H new ATOM 365 N ALA A 25 -6.316 -0.871 -1.887 1.00 0.00 N ATOM 366 CA ALA A 25 -6.352 0.002 -3.096 1.00 0.00 C ATOM 367 C ALA A 25 -5.063 0.820 -3.194 1.00 0.00 C ATOM 368 O ALA A 25 -5.092 2.025 -3.350 1.00 0.00 O ATOM 369 CB ALA A 25 -7.554 0.922 -2.884 1.00 0.00 C ATOM 0 H ALA A 25 -5.840 -0.472 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.436 -0.573 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.649 1.598 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.460 0.322 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.411 1.503 -1.973 1.00 0.00 H new ATOM 375 N GLY A 26 -3.930 0.178 -3.103 1.00 0.00 N ATOM 376 CA GLY A 26 -2.643 0.924 -3.190 1.00 0.00 C ATOM 377 C GLY A 26 -1.604 0.082 -3.931 1.00 0.00 C ATOM 378 O GLY A 26 -1.876 -1.019 -4.367 1.00 0.00 O ATOM 0 H GLY A 26 -3.840 -0.830 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.795 1.870 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.283 1.164 -2.190 1.00 0.00 H new ATOM 382 N LYS A 27 -0.412 0.593 -4.069 1.00 0.00 N ATOM 383 CA LYS A 27 0.654 -0.172 -4.774 1.00 0.00 C ATOM 384 C LYS A 27 1.988 -0.004 -4.042 1.00 0.00 C ATOM 385 O LYS A 27 2.076 0.680 -3.044 1.00 0.00 O ATOM 386 CB LYS A 27 0.731 0.442 -6.173 1.00 0.00 C ATOM 387 CG LYS A 27 -0.664 0.479 -6.797 1.00 0.00 C ATOM 388 CD LYS A 27 -0.627 1.308 -8.082 1.00 0.00 C ATOM 389 CE LYS A 27 -0.263 2.755 -7.745 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.524 3.520 -8.997 1.00 0.00 N ATOM 0 H LYS A 27 -0.130 1.510 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 27 0.439 -1.240 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.141 1.450 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.405 -0.141 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.003 -0.534 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.377 0.910 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.103 0.890 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.597 1.272 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.867 3.132 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.780 2.839 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.297 4.523 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.069 3.144 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.527 3.427 -9.258 1.00 0.00 H new ATOM 404 N CYS A 28 3.028 -0.620 -4.533 1.00 0.00 N ATOM 405 CA CYS A 28 4.354 -0.488 -3.864 1.00 0.00 C ATOM 406 C CYS A 28 5.279 0.388 -4.715 1.00 0.00 C ATOM 407 O CYS A 28 5.592 0.064 -5.843 1.00 0.00 O ATOM 408 CB CYS A 28 4.888 -1.921 -3.770 1.00 0.00 C ATOM 409 SG CYS A 28 6.667 -1.898 -3.435 1.00 0.00 S ATOM 0 H CYS A 28 3.018 -1.208 -5.367 1.00 0.00 H new ATOM 0 HA CYS A 28 4.288 -0.018 -2.883 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.368 -2.461 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.692 -2.453 -4.701 1.00 0.00 H new ATOM 414 N MET A 29 5.713 1.500 -4.186 1.00 0.00 N ATOM 415 CA MET A 29 6.610 2.396 -4.970 1.00 0.00 C ATOM 416 C MET A 29 7.611 3.094 -4.045 1.00 0.00 C ATOM 417 O MET A 29 7.348 3.307 -2.878 1.00 0.00 O ATOM 418 CB MET A 29 5.677 3.420 -5.617 1.00 0.00 C ATOM 419 CG MET A 29 5.388 3.008 -7.062 1.00 0.00 C ATOM 420 SD MET A 29 3.601 2.844 -7.296 1.00 0.00 S ATOM 421 CE MET A 29 3.646 1.389 -8.373 1.00 0.00 C ATOM 0 H MET A 29 5.486 1.826 -3.247 1.00 0.00 H new ATOM 0 HA MET A 29 7.194 1.848 -5.709 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.746 3.486 -5.054 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.134 4.409 -5.594 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.789 3.752 -7.751 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.883 2.064 -7.288 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.643 1.181 -8.746 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.314 1.579 -9.213 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.008 0.530 -7.809 1.00 0.00 H new ATOM 431 N ASN A 30 8.753 3.457 -4.559 1.00 0.00 N ATOM 432 CA ASN A 30 9.770 4.145 -3.713 1.00 0.00 C ATOM 433 C ASN A 30 10.002 3.359 -2.420 1.00 0.00 C ATOM 434 O ASN A 30 10.437 3.899 -1.423 1.00 0.00 O ATOM 435 CB ASN A 30 9.165 5.516 -3.402 1.00 0.00 C ATOM 436 CG ASN A 30 8.549 6.106 -4.673 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.118 6.007 -5.742 1.00 0.00 O ATOM 438 ND2 ASN A 30 7.399 6.720 -4.601 1.00 0.00 N ATOM 0 H ASN A 30 9.027 3.307 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 30 10.735 4.227 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.404 5.422 -2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.934 6.184 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.979 7.116 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.921 6.803 -3.704 1.00 0.00 H new ATOM 445 N GLY A 31 9.713 2.087 -2.429 1.00 0.00 N ATOM 446 CA GLY A 31 9.916 1.271 -1.198 1.00 0.00 C ATOM 447 C GLY A 31 8.818 1.601 -0.186 1.00 0.00 C ATOM 448 O GLY A 31 8.959 1.367 0.997 1.00 0.00 O ATOM 0 H GLY A 31 9.346 1.578 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.893 0.209 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.896 1.477 -0.769 1.00 0.00 H new ATOM 452 N LYS A 32 7.723 2.143 -0.644 1.00 0.00 N ATOM 453 CA LYS A 32 6.612 2.489 0.288 1.00 0.00 C ATOM 454 C LYS A 32 5.282 1.989 -0.278 1.00 0.00 C ATOM 455 O LYS A 32 5.185 1.640 -1.437 1.00 0.00 O ATOM 456 CB LYS A 32 6.620 4.015 0.364 1.00 0.00 C ATOM 457 CG LYS A 32 8.056 4.512 0.541 1.00 0.00 C ATOM 458 CD LYS A 32 8.082 6.039 0.444 1.00 0.00 C ATOM 459 CE LYS A 32 8.153 6.639 1.849 1.00 0.00 C ATOM 460 NZ LYS A 32 6.914 7.456 1.981 1.00 0.00 N ATOM 0 H LYS A 32 7.549 2.362 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 32 6.736 2.032 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.188 4.437 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.003 4.351 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.447 4.191 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.700 4.077 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.941 6.362 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.190 6.396 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.195 5.859 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.046 7.252 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.890 7.901 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.905 8.194 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.081 6.844 1.866 1.00 0.00 H new ATOM 474 N CYS A 33 4.255 1.958 0.526 1.00 0.00 N ATOM 475 CA CYS A 33 2.937 1.484 0.017 1.00 0.00 C ATOM 476 C CYS A 33 2.030 2.679 -0.271 1.00 0.00 C ATOM 477 O CYS A 33 1.744 3.479 0.599 1.00 0.00 O ATOM 478 CB CYS A 33 2.357 0.620 1.136 1.00 0.00 C ATOM 479 SG CYS A 33 1.203 -0.586 0.434 1.00 0.00 S ATOM 0 H CYS A 33 4.270 2.238 1.507 1.00 0.00 H new ATOM 0 HA CYS A 33 3.030 0.922 -0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.159 0.106 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.845 1.247 1.865 1.00 0.00 H new ATOM 484 N LYS A 34 1.585 2.814 -1.488 1.00 0.00 N ATOM 485 CA LYS A 34 0.708 3.968 -1.835 1.00 0.00 C ATOM 486 C LYS A 34 -0.769 3.561 -1.809 1.00 0.00 C ATOM 487 O LYS A 34 -1.324 3.140 -2.804 1.00 0.00 O ATOM 488 CB LYS A 34 1.133 4.368 -3.248 1.00 0.00 C ATOM 489 CG LYS A 34 2.416 5.197 -3.177 1.00 0.00 C ATOM 490 CD LYS A 34 3.131 5.155 -4.528 1.00 0.00 C ATOM 491 CE LYS A 34 2.532 6.213 -5.457 1.00 0.00 C ATOM 492 NZ LYS A 34 1.460 5.503 -6.208 1.00 0.00 N ATOM 0 H LYS A 34 1.790 2.177 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 34 0.811 4.788 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.295 3.478 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.342 4.943 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.181 6.227 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.070 4.808 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.197 5.337 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.030 4.165 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.128 7.052 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.286 6.618 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.388 5.898 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.690 4.490 -6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.552 5.624 -5.715 1.00 0.00 H new ATOM 506 N CYS A 35 -1.412 3.698 -0.681 1.00 0.00 N ATOM 507 CA CYS A 35 -2.857 3.333 -0.598 1.00 0.00 C ATOM 508 C CYS A 35 -3.718 4.536 -1.000 1.00 0.00 C ATOM 509 O CYS A 35 -3.430 5.661 -0.645 1.00 0.00 O ATOM 510 CB CYS A 35 -3.100 2.964 0.869 1.00 0.00 C ATOM 511 SG CYS A 35 -1.780 1.869 1.456 1.00 0.00 S ATOM 0 H CYS A 35 -1.001 4.046 0.185 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.115 2.511 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.134 3.866 1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.067 2.471 0.974 1.00 0.00 H new ATOM 516 N TYR A 36 -4.767 4.310 -1.743 1.00 0.00 N ATOM 517 CA TYR A 36 -5.637 5.447 -2.168 1.00 0.00 C ATOM 518 C TYR A 36 -6.725 5.708 -1.120 1.00 0.00 C ATOM 519 O TYR A 36 -7.152 4.798 -0.436 1.00 0.00 O ATOM 520 CB TYR A 36 -6.261 4.995 -3.490 1.00 0.00 C ATOM 521 CG TYR A 36 -5.374 5.410 -4.641 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.004 5.615 -4.434 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.923 5.591 -5.916 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.184 6.001 -5.501 1.00 0.00 C ATOM 525 CE2 TYR A 36 -5.102 5.976 -6.984 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.733 6.180 -6.776 1.00 0.00 C ATOM 527 OH TYR A 36 -2.925 6.561 -7.829 1.00 0.00 O ATOM 0 H TYR A 36 -5.060 3.391 -2.074 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.077 6.376 -2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.391 3.913 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.252 5.435 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.580 5.475 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.979 5.434 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.128 6.161 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.525 6.115 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.464 6.639 -8.643 1.00 0.00 H new ATOM 537 N PRO A 37 -7.144 6.947 -1.026 1.00 0.00 N ATOM 538 CA PRO A 37 -8.194 7.325 -0.051 1.00 0.00 C ATOM 539 C PRO A 37 -9.503 6.592 -0.360 1.00 0.00 C ATOM 540 O PRO A 37 -10.518 6.974 0.198 1.00 0.00 O ATOM 541 CB PRO A 37 -8.340 8.833 -0.279 1.00 0.00 C ATOM 542 CG PRO A 37 -7.360 9.264 -1.387 1.00 0.00 C ATOM 543 CD PRO A 37 -6.596 8.028 -1.880 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.466 5.664 -1.149 1.00 0.00 O ATOM 0 HA PRO A 37 -7.947 7.069 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.364 9.074 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.131 9.376 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.902 9.726 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.664 10.011 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.773 7.838 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.519 8.139 -1.752 1.00 0.00 H new