USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 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= -1.69! C(o=-1.7!,f=-5.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.224 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00327) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0216 (180deg=-0.126) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 163:sc= 0 (180deg=-0.00797) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -116:sc= -0.283 (180deg=-2.33!) 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 2.178 5.251 2.802 1.00 0.00 N ATOM 40 CA ILE A 3 2.620 4.792 4.153 1.00 0.00 C ATOM 41 C ILE A 3 4.063 4.289 4.080 1.00 0.00 C ATOM 42 O ILE A 3 4.505 3.788 3.063 1.00 0.00 O ATOM 43 CB ILE A 3 1.680 3.643 4.569 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.525 3.480 3.569 1.00 0.00 C ATOM 45 CG2 ILE A 3 1.096 3.942 5.950 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.349 2.298 3.989 1.00 0.00 C ATOM 0 HA ILE A 3 2.580 5.606 4.877 1.00 0.00 H new ATOM 0 HB ILE A 3 2.259 2.720 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.071 4.392 3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.919 3.317 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.431 3.131 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.905 4.032 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.536 4.876 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.169 2.182 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.251 1.388 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.753 2.480 4.985 1.00 0.00 H new ATOM 58 N ASN A 4 4.802 4.419 5.150 1.00 0.00 N ATOM 59 CA ASN A 4 6.218 3.950 5.142 1.00 0.00 C ATOM 60 C ASN A 4 6.298 2.495 5.610 1.00 0.00 C ATOM 61 O ASN A 4 7.120 2.142 6.432 1.00 0.00 O ATOM 62 CB ASN A 4 6.948 4.872 6.123 1.00 0.00 C ATOM 63 CG ASN A 4 6.591 4.485 7.560 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.593 3.832 7.796 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.371 4.860 8.536 1.00 0.00 N ATOM 0 H ASN A 4 4.486 4.830 6.029 1.00 0.00 H new ATOM 0 HA ASN A 4 6.658 3.986 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.025 4.798 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.671 5.910 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.144 4.605 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.208 5.408 8.338 1.00 0.00 H new ATOM 72 N ALA A 5 5.452 1.648 5.092 1.00 0.00 N ATOM 73 CA ALA A 5 5.482 0.216 5.509 1.00 0.00 C ATOM 74 C ALA A 5 6.593 -0.529 4.762 1.00 0.00 C ATOM 75 O ALA A 5 6.703 -1.737 4.840 1.00 0.00 O ATOM 76 CB ALA A 5 4.110 -0.338 5.123 1.00 0.00 C ATOM 0 H ALA A 5 4.742 1.884 4.399 1.00 0.00 H new ATOM 0 HA ALA A 5 5.683 0.100 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.052 -1.391 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.333 0.217 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.966 -0.236 4.047 1.00 0.00 H new ATOM 82 N LYS A 6 7.417 0.181 4.040 1.00 0.00 N ATOM 83 CA LYS A 6 8.518 -0.488 3.289 1.00 0.00 C ATOM 84 C LYS A 6 7.954 -1.630 2.442 1.00 0.00 C ATOM 85 O LYS A 6 8.429 -2.747 2.492 1.00 0.00 O ATOM 86 CB LYS A 6 9.462 -1.028 4.364 1.00 0.00 C ATOM 87 CG LYS A 6 10.334 0.112 4.892 1.00 0.00 C ATOM 88 CD LYS A 6 11.444 0.416 3.884 1.00 0.00 C ATOM 89 CE LYS A 6 11.972 1.834 4.116 1.00 0.00 C ATOM 90 NZ LYS A 6 12.763 2.154 2.896 1.00 0.00 N ATOM 0 H LYS A 6 7.376 1.195 3.938 1.00 0.00 H new ATOM 0 HA LYS A 6 9.029 0.192 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.888 -1.470 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.088 -1.818 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.726 1.001 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.767 -0.163 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.253 -0.306 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.062 0.321 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.155 2.542 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.591 1.883 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.158 3.112 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.538 1.468 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.146 2.106 2.060 1.00 0.00 H new ATOM 104 N CYS A 7 6.944 -1.356 1.663 1.00 0.00 N ATOM 105 CA CYS A 7 6.348 -2.424 0.812 1.00 0.00 C ATOM 106 C CYS A 7 7.422 -3.053 -0.077 1.00 0.00 C ATOM 107 O CYS A 7 8.387 -2.414 -0.448 1.00 0.00 O ATOM 108 CB CYS A 7 5.300 -1.708 -0.039 1.00 0.00 C ATOM 109 SG CYS A 7 6.103 -0.425 -1.029 1.00 0.00 S ATOM 0 H CYS A 7 6.506 -0.439 1.579 1.00 0.00 H new ATOM 0 HA CYS A 7 5.914 -3.231 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.795 -2.422 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.537 -1.265 0.601 1.00 0.00 H new ATOM 114 N ARG A 8 7.264 -4.301 -0.423 1.00 0.00 N ATOM 115 CA ARG A 8 8.279 -4.968 -1.288 1.00 0.00 C ATOM 116 C ARG A 8 7.688 -5.264 -2.669 1.00 0.00 C ATOM 117 O ARG A 8 8.399 -5.392 -3.645 1.00 0.00 O ATOM 118 CB ARG A 8 8.622 -6.271 -0.564 1.00 0.00 C ATOM 119 CG ARG A 8 9.721 -6.007 0.466 1.00 0.00 C ATOM 120 CD ARG A 8 9.651 -7.064 1.572 1.00 0.00 C ATOM 121 NE ARG A 8 10.042 -6.345 2.816 1.00 0.00 N ATOM 122 CZ ARG A 8 11.203 -6.577 3.365 1.00 0.00 C ATOM 123 NH1 ARG A 8 11.336 -7.554 4.219 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.229 -5.829 3.065 1.00 0.00 N ATOM 0 H ARG A 8 6.477 -4.887 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 8 9.159 -4.344 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.735 -6.670 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.954 -7.022 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.699 -6.033 -0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.602 -5.011 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.648 -7.482 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.326 -7.895 1.367 1.00 0.00 H new ATOM 0 HE ARG A 8 9.403 -5.672 3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.533 -8.136 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.243 -7.736 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.124 -5.062 2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.136 -6.011 3.495 1.00 0.00 H new ATOM 138 N GLY A 9 6.390 -5.375 -2.758 1.00 0.00 N ATOM 139 CA GLY A 9 5.757 -5.664 -4.076 1.00 0.00 C ATOM 140 C GLY A 9 4.440 -4.896 -4.194 1.00 0.00 C ATOM 141 O GLY A 9 3.780 -4.619 -3.212 1.00 0.00 O ATOM 0 H GLY A 9 5.742 -5.278 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.430 -5.378 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.576 -6.734 -4.176 1.00 0.00 H new ATOM 145 N SER A 10 4.056 -4.548 -5.390 1.00 0.00 N ATOM 146 CA SER A 10 2.783 -3.796 -5.580 1.00 0.00 C ATOM 147 C SER A 10 1.577 -4.602 -5.065 1.00 0.00 C ATOM 148 O SER A 10 0.752 -4.070 -4.350 1.00 0.00 O ATOM 149 CB SER A 10 2.671 -3.568 -7.088 1.00 0.00 C ATOM 150 OG SER A 10 3.934 -3.809 -7.696 1.00 0.00 O ATOM 0 H SER A 10 4.570 -4.752 -6.247 1.00 0.00 H new ATOM 0 HA SER A 10 2.786 -2.860 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.918 -4.232 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.346 -2.547 -7.290 1.00 0.00 H new ATOM 0 HG SER A 10 3.864 -3.665 -8.663 1.00 0.00 H new ATOM 156 N PRO A 11 1.500 -5.857 -5.445 1.00 0.00 N ATOM 157 CA PRO A 11 0.368 -6.711 -5.009 1.00 0.00 C ATOM 158 C PRO A 11 0.390 -6.906 -3.490 1.00 0.00 C ATOM 159 O PRO A 11 -0.637 -6.906 -2.841 1.00 0.00 O ATOM 160 CB PRO A 11 0.639 -8.031 -5.738 1.00 0.00 C ATOM 161 CG PRO A 11 1.926 -7.880 -6.572 1.00 0.00 C ATOM 162 CD PRO A 11 2.520 -6.489 -6.317 1.00 0.00 C ATOM 0 HA PRO A 11 -0.610 -6.287 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.747 -8.844 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.202 -8.286 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.645 -8.653 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.706 -8.008 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.492 -6.547 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.662 -5.933 -7.244 1.00 0.00 H new ATOM 170 N GLU A 12 1.551 -7.074 -2.919 1.00 0.00 N ATOM 171 CA GLU A 12 1.633 -7.269 -1.443 1.00 0.00 C ATOM 172 C GLU A 12 1.056 -6.050 -0.717 1.00 0.00 C ATOM 173 O GLU A 12 0.583 -6.146 0.399 1.00 0.00 O ATOM 174 CB GLU A 12 3.126 -7.412 -1.146 1.00 0.00 C ATOM 175 CG GLU A 12 3.399 -8.797 -0.556 1.00 0.00 C ATOM 176 CD GLU A 12 3.843 -8.651 0.900 1.00 0.00 C ATOM 177 OE1 GLU A 12 2.996 -8.369 1.731 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.023 -8.824 1.160 1.00 0.00 O ATOM 0 H GLU A 12 2.445 -7.085 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 12 1.065 -8.137 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.704 -7.274 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.444 -6.638 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.501 -9.412 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.171 -9.305 -1.134 1.00 0.00 H new ATOM 185 N CYS A 13 1.092 -4.904 -1.340 1.00 0.00 N ATOM 186 CA CYS A 13 0.548 -3.681 -0.684 1.00 0.00 C ATOM 187 C CYS A 13 -0.972 -3.790 -0.538 1.00 0.00 C ATOM 188 O CYS A 13 -1.556 -3.241 0.376 1.00 0.00 O ATOM 189 CB CYS A 13 0.917 -2.528 -1.618 1.00 0.00 C ATOM 190 SG CYS A 13 2.032 -1.389 -0.761 1.00 0.00 S ATOM 0 H CYS A 13 1.475 -4.762 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 13 0.953 -3.537 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.396 -2.914 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.017 -2.002 -1.936 1.00 0.00 H new ATOM 195 N LEU A 14 -1.620 -4.493 -1.427 1.00 0.00 N ATOM 196 CA LEU A 14 -3.099 -4.630 -1.326 1.00 0.00 C ATOM 197 C LEU A 14 -3.484 -5.152 0.066 1.00 0.00 C ATOM 198 O LEU A 14 -4.206 -4.491 0.787 1.00 0.00 O ATOM 199 CB LEU A 14 -3.490 -5.623 -2.421 1.00 0.00 C ATOM 200 CG LEU A 14 -4.235 -4.890 -3.539 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.243 -4.068 -4.364 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.925 -5.911 -4.446 1.00 0.00 C ATOM 0 H LEU A 14 -1.190 -4.976 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.615 -3.679 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.599 -6.108 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.121 -6.409 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.981 -4.226 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.775 -3.547 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.750 -3.340 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.496 -4.731 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.456 -5.390 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.178 -6.574 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.634 -6.497 -3.861 1.00 0.00 H new ATOM 214 N PRO A 15 -2.981 -6.313 0.417 1.00 0.00 N ATOM 215 CA PRO A 15 -3.277 -6.891 1.749 1.00 0.00 C ATOM 216 C PRO A 15 -2.816 -5.933 2.850 1.00 0.00 C ATOM 217 O PRO A 15 -3.539 -5.650 3.784 1.00 0.00 O ATOM 218 CB PRO A 15 -2.445 -8.176 1.754 1.00 0.00 C ATOM 219 CG PRO A 15 -1.696 -8.285 0.411 1.00 0.00 C ATOM 220 CD PRO A 15 -2.103 -7.104 -0.479 1.00 0.00 C ATOM 0 HA PRO A 15 -4.337 -7.070 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.736 -8.164 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.090 -9.043 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.619 -8.278 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.937 -9.228 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.238 -6.529 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.629 -7.434 -1.375 1.00 0.00 H new ATOM 228 N LYS A 16 -1.616 -5.427 2.741 1.00 0.00 N ATOM 229 CA LYS A 16 -1.109 -4.481 3.775 1.00 0.00 C ATOM 230 C LYS A 16 -2.005 -3.240 3.830 1.00 0.00 C ATOM 231 O LYS A 16 -2.419 -2.805 4.887 1.00 0.00 O ATOM 232 CB LYS A 16 0.297 -4.101 3.310 1.00 0.00 C ATOM 233 CG LYS A 16 1.324 -5.026 3.964 1.00 0.00 C ATOM 234 CD LYS A 16 2.734 -4.531 3.637 1.00 0.00 C ATOM 235 CE LYS A 16 3.692 -5.723 3.572 1.00 0.00 C ATOM 236 NZ LYS A 16 4.552 -5.592 4.782 1.00 0.00 N ATOM 0 H LYS A 16 -0.966 -5.628 1.981 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.103 -4.921 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.364 -4.177 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.509 -3.064 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.175 -5.047 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.192 -6.046 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.733 -4.000 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.068 -3.824 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.148 -6.667 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.288 -5.701 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.236 -6.375 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.063 -4.687 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.958 -5.623 5.635 1.00 0.00 H new ATOM 250 N CYS A 17 -2.308 -2.671 2.696 1.00 0.00 N ATOM 251 CA CYS A 17 -3.178 -1.460 2.678 1.00 0.00 C ATOM 252 C CYS A 17 -4.537 -1.784 3.299 1.00 0.00 C ATOM 253 O CYS A 17 -5.123 -0.975 3.992 1.00 0.00 O ATOM 254 CB CYS A 17 -3.334 -1.107 1.199 1.00 0.00 C ATOM 255 SG CYS A 17 -4.074 0.537 1.046 1.00 0.00 S ATOM 0 H CYS A 17 -1.991 -2.992 1.781 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.754 -0.635 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.363 -1.128 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.961 -1.847 0.702 1.00 0.00 H new ATOM 260 N LYS A 18 -5.042 -2.964 3.062 1.00 0.00 N ATOM 261 CA LYS A 18 -6.360 -3.343 3.645 1.00 0.00 C ATOM 262 C LYS A 18 -6.304 -3.236 5.170 1.00 0.00 C ATOM 263 O LYS A 18 -7.171 -2.661 5.795 1.00 0.00 O ATOM 264 CB LYS A 18 -6.579 -4.795 3.213 1.00 0.00 C ATOM 265 CG LYS A 18 -7.682 -5.423 4.067 1.00 0.00 C ATOM 266 CD LYS A 18 -8.621 -6.234 3.172 1.00 0.00 C ATOM 267 CE LYS A 18 -10.070 -6.000 3.606 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.462 -4.717 2.958 1.00 0.00 N ATOM 0 H LYS A 18 -4.598 -3.682 2.489 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.169 -2.694 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.854 -4.834 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.654 -5.361 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.244 -6.066 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.240 -4.645 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.491 -5.941 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.377 -7.294 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.715 -6.818 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.152 -5.936 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.062 -4.169 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.608 -4.169 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.990 -4.916 2.084 1.00 0.00 H new ATOM 282 N GLU A 19 -5.284 -3.783 5.772 1.00 0.00 N ATOM 283 CA GLU A 19 -5.167 -3.708 7.257 1.00 0.00 C ATOM 284 C GLU A 19 -4.783 -2.286 7.680 1.00 0.00 C ATOM 285 O GLU A 19 -5.064 -1.857 8.781 1.00 0.00 O ATOM 286 CB GLU A 19 -4.054 -4.694 7.616 1.00 0.00 C ATOM 287 CG GLU A 19 -4.403 -5.413 8.922 1.00 0.00 C ATOM 288 CD GLU A 19 -3.839 -4.628 10.108 1.00 0.00 C ATOM 289 OE1 GLU A 19 -4.035 -3.426 10.148 1.00 0.00 O ATOM 290 OE2 GLU A 19 -3.219 -5.245 10.958 1.00 0.00 O ATOM 0 H GLU A 19 -4.527 -4.278 5.301 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.103 -3.950 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.925 -5.420 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.107 -4.165 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.485 -5.509 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.993 -6.423 8.914 1.00 0.00 H new ATOM 297 N ALA A 20 -4.139 -1.555 6.812 1.00 0.00 N ATOM 298 CA ALA A 20 -3.734 -0.165 7.164 1.00 0.00 C ATOM 299 C ALA A 20 -4.953 0.760 7.202 1.00 0.00 C ATOM 300 O ALA A 20 -5.116 1.551 8.109 1.00 0.00 O ATOM 301 CB ALA A 20 -2.777 0.260 6.050 1.00 0.00 C ATOM 0 H ALA A 20 -3.876 -1.860 5.875 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.271 -0.112 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.432 1.277 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.922 -0.415 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.295 0.222 5.091 1.00 0.00 H new ATOM 307 N ILE A 21 -5.809 0.672 6.220 1.00 0.00 N ATOM 308 CA ILE A 21 -7.012 1.553 6.199 1.00 0.00 C ATOM 309 C ILE A 21 -8.292 0.715 6.100 1.00 0.00 C ATOM 310 O ILE A 21 -9.331 1.092 6.603 1.00 0.00 O ATOM 311 CB ILE A 21 -6.844 2.428 4.955 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.355 1.567 3.786 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.819 3.529 5.239 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.331 2.407 2.508 1.00 0.00 C ATOM 0 H ILE A 21 -5.728 0.029 5.432 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.098 2.148 7.108 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.802 2.880 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.358 1.180 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.011 0.706 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.699 4.152 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.165 4.143 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.861 3.077 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.983 1.794 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.335 2.773 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.657 3.254 2.642 1.00 0.00 H new ATOM 326 N GLY A 22 -8.226 -0.420 5.457 1.00 0.00 N ATOM 327 CA GLY A 22 -9.443 -1.274 5.330 1.00 0.00 C ATOM 328 C GLY A 22 -9.878 -1.336 3.865 1.00 0.00 C ATOM 329 O GLY A 22 -11.002 -1.679 3.556 1.00 0.00 O ATOM 0 H GLY A 22 -7.385 -0.792 5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.235 -2.278 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.249 -0.869 5.942 1.00 0.00 H new ATOM 333 N LYS A 23 -8.998 -1.007 2.960 1.00 0.00 N ATOM 334 CA LYS A 23 -9.363 -1.048 1.514 1.00 0.00 C ATOM 335 C LYS A 23 -8.157 -1.482 0.677 1.00 0.00 C ATOM 336 O LYS A 23 -7.096 -0.895 0.748 1.00 0.00 O ATOM 337 CB LYS A 23 -9.766 0.385 1.166 1.00 0.00 C ATOM 338 CG LYS A 23 -11.154 0.382 0.523 1.00 0.00 C ATOM 339 CD LYS A 23 -11.172 1.354 -0.659 1.00 0.00 C ATOM 340 CE LYS A 23 -11.823 2.669 -0.228 1.00 0.00 C ATOM 341 NZ LYS A 23 -11.784 3.531 -1.441 1.00 0.00 N ATOM 0 H LYS A 23 -8.042 -0.712 3.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.164 -1.758 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.771 1.001 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.038 0.823 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.408 -0.623 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.907 0.671 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.156 1.536 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.723 0.919 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.847 2.511 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.280 3.126 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.955 4.520 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.851 3.452 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.519 3.223 -2.109 1.00 0.00 H new ATOM 355 N ALA A 24 -8.312 -2.506 -0.117 1.00 0.00 N ATOM 356 CA ALA A 24 -7.174 -2.974 -0.959 1.00 0.00 C ATOM 357 C ALA A 24 -7.065 -2.116 -2.222 1.00 0.00 C ATOM 358 O ALA A 24 -7.517 -2.498 -3.283 1.00 0.00 O ATOM 359 CB ALA A 24 -7.518 -4.419 -1.319 1.00 0.00 C ATOM 0 H ALA A 24 -9.176 -3.038 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.217 -2.900 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.726 -4.837 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.613 -5.008 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.460 -4.443 -1.866 1.00 0.00 H new ATOM 365 N ALA A 25 -6.469 -0.960 -2.115 1.00 0.00 N ATOM 366 CA ALA A 25 -6.332 -0.078 -3.311 1.00 0.00 C ATOM 367 C ALA A 25 -5.069 0.779 -3.194 1.00 0.00 C ATOM 368 O ALA A 25 -5.137 1.983 -3.040 1.00 0.00 O ATOM 369 CB ALA A 25 -7.580 0.804 -3.296 1.00 0.00 C ATOM 0 H ALA A 25 -6.071 -0.588 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.245 -0.647 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.555 1.484 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.469 0.177 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.607 1.381 -2.372 1.00 0.00 H new ATOM 375 N GLY A 26 -3.916 0.170 -3.268 1.00 0.00 N ATOM 376 CA GLY A 26 -2.653 0.956 -3.161 1.00 0.00 C ATOM 377 C GLY A 26 -1.513 0.191 -3.833 1.00 0.00 C ATOM 378 O GLY A 26 -1.520 -1.023 -3.901 1.00 0.00 O ATOM 0 H GLY A 26 -3.794 -0.834 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.778 1.930 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.414 1.138 -2.113 1.00 0.00 H new ATOM 382 N LYS A 27 -0.530 0.890 -4.330 1.00 0.00 N ATOM 383 CA LYS A 27 0.613 0.204 -4.997 1.00 0.00 C ATOM 384 C LYS A 27 1.900 0.422 -4.195 1.00 0.00 C ATOM 385 O LYS A 27 1.901 1.077 -3.172 1.00 0.00 O ATOM 386 CB LYS A 27 0.723 0.863 -6.374 1.00 0.00 C ATOM 387 CG LYS A 27 -0.642 0.841 -7.063 1.00 0.00 C ATOM 388 CD LYS A 27 -0.448 0.839 -8.581 1.00 0.00 C ATOM 389 CE LYS A 27 -0.995 2.142 -9.169 1.00 0.00 C ATOM 390 NZ LYS A 27 0.083 2.638 -10.070 1.00 0.00 N ATOM 0 H LYS A 27 -0.469 1.908 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 27 0.462 -0.873 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.073 1.890 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.458 0.336 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.202 -0.042 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.227 1.710 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.610 0.735 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.962 -0.015 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.921 1.970 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.219 2.866 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.217 3.530 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.950 2.799 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.270 1.931 -10.810 1.00 0.00 H new ATOM 404 N CYS A 28 2.995 -0.123 -4.652 1.00 0.00 N ATOM 405 CA CYS A 28 4.279 0.055 -3.915 1.00 0.00 C ATOM 406 C CYS A 28 5.316 0.734 -4.814 1.00 0.00 C ATOM 407 O CYS A 28 5.430 0.431 -5.986 1.00 0.00 O ATOM 408 CB CYS A 28 4.729 -1.360 -3.554 1.00 0.00 C ATOM 409 SG CYS A 28 6.387 -1.296 -2.829 1.00 0.00 S ATOM 0 H CYS A 28 3.056 -0.683 -5.502 1.00 0.00 H new ATOM 0 HA CYS A 28 4.163 0.684 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.029 -1.808 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.733 -1.990 -4.443 1.00 0.00 H new ATOM 414 N MET A 29 6.073 1.652 -4.276 1.00 0.00 N ATOM 415 CA MET A 29 7.100 2.347 -5.106 1.00 0.00 C ATOM 416 C MET A 29 8.312 2.728 -4.251 1.00 0.00 C ATOM 417 O MET A 29 8.216 3.523 -3.336 1.00 0.00 O ATOM 418 CB MET A 29 6.399 3.603 -5.631 1.00 0.00 C ATOM 419 CG MET A 29 7.414 4.489 -6.355 1.00 0.00 C ATOM 420 SD MET A 29 7.385 6.150 -5.637 1.00 0.00 S ATOM 421 CE MET A 29 8.919 6.750 -6.384 1.00 0.00 C ATOM 0 H MET A 29 6.026 1.950 -3.302 1.00 0.00 H new ATOM 0 HA MET A 29 7.471 1.716 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.593 3.325 -6.310 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.945 4.151 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 29 8.413 4.061 -6.269 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.178 4.537 -7.418 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.950 7.838 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.772 6.334 -5.848 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.961 6.440 -7.428 1.00 0.00 H new ATOM 431 N ASN A 30 9.455 2.171 -4.548 1.00 0.00 N ATOM 432 CA ASN A 30 10.677 2.504 -3.760 1.00 0.00 C ATOM 433 C ASN A 30 10.545 1.998 -2.320 1.00 0.00 C ATOM 434 O ASN A 30 11.375 2.276 -1.478 1.00 0.00 O ATOM 435 CB ASN A 30 10.762 4.030 -3.786 1.00 0.00 C ATOM 436 CG ASN A 30 12.188 4.455 -4.139 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.092 4.313 -3.339 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.430 4.973 -5.311 1.00 0.00 N ATOM 0 H ASN A 30 9.596 1.499 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 30 11.570 2.037 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.060 4.432 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.479 4.437 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.378 5.259 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.671 5.092 -5.982 1.00 0.00 H new ATOM 445 N GLY A 31 9.512 1.255 -2.030 1.00 0.00 N ATOM 446 CA GLY A 31 9.339 0.733 -0.645 1.00 0.00 C ATOM 447 C GLY A 31 8.210 1.491 0.057 1.00 0.00 C ATOM 448 O GLY A 31 8.075 1.444 1.262 1.00 0.00 O ATOM 0 H GLY A 31 8.782 0.987 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.111 -0.333 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.268 0.845 -0.085 1.00 0.00 H new ATOM 452 N LYS A 32 7.397 2.187 -0.686 1.00 0.00 N ATOM 453 CA LYS A 32 6.278 2.944 -0.056 1.00 0.00 C ATOM 454 C LYS A 32 4.943 2.503 -0.664 1.00 0.00 C ATOM 455 O LYS A 32 4.849 2.230 -1.844 1.00 0.00 O ATOM 456 CB LYS A 32 6.563 4.412 -0.376 1.00 0.00 C ATOM 457 CG LYS A 32 7.777 4.884 0.428 1.00 0.00 C ATOM 458 CD LYS A 32 7.306 5.655 1.661 1.00 0.00 C ATOM 459 CE LYS A 32 8.513 6.272 2.370 1.00 0.00 C ATOM 460 NZ LYS A 32 8.030 6.592 3.742 1.00 0.00 N ATOM 0 H LYS A 32 7.458 2.265 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 32 6.210 2.773 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.751 4.533 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.694 5.023 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.381 4.028 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.411 5.519 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.605 6.436 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.775 4.987 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.352 5.577 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.859 7.168 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.057 7.621 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.054 6.252 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.641 6.126 4.443 1.00 0.00 H new ATOM 474 N CYS A 33 3.912 2.424 0.132 1.00 0.00 N ATOM 475 CA CYS A 33 2.589 1.992 -0.407 1.00 0.00 C ATOM 476 C CYS A 33 1.756 3.209 -0.812 1.00 0.00 C ATOM 477 O CYS A 33 1.564 4.127 -0.040 1.00 0.00 O ATOM 478 CB CYS A 33 1.920 1.240 0.742 1.00 0.00 C ATOM 479 SG CYS A 33 0.802 -0.019 0.073 1.00 0.00 S ATOM 0 H CYS A 33 3.927 2.639 1.129 1.00 0.00 H new ATOM 0 HA CYS A 33 2.690 1.370 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.676 0.772 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.366 1.936 1.372 1.00 0.00 H new ATOM 484 N LYS A 34 1.260 3.225 -2.019 1.00 0.00 N ATOM 485 CA LYS A 34 0.440 4.384 -2.473 1.00 0.00 C ATOM 486 C LYS A 34 -1.049 4.032 -2.409 1.00 0.00 C ATOM 487 O LYS A 34 -1.660 3.688 -3.401 1.00 0.00 O ATOM 488 CB LYS A 34 0.870 4.635 -3.918 1.00 0.00 C ATOM 489 CG LYS A 34 2.398 4.613 -4.010 1.00 0.00 C ATOM 490 CD LYS A 34 2.821 4.612 -5.481 1.00 0.00 C ATOM 491 CE LYS A 34 2.349 5.908 -6.149 1.00 0.00 C ATOM 492 NZ LYS A 34 2.291 5.601 -7.609 1.00 0.00 N ATOM 0 H LYS A 34 1.387 2.486 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 34 0.587 5.264 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.445 3.873 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.489 5.597 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.816 5.481 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.791 3.729 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.905 4.524 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.394 3.750 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.372 6.212 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.038 6.728 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.975 6.444 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.236 5.322 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.622 4.822 -7.774 1.00 0.00 H new ATOM 506 N CYS A 35 -1.637 4.116 -1.247 1.00 0.00 N ATOM 507 CA CYS A 35 -3.086 3.788 -1.119 1.00 0.00 C ATOM 508 C CYS A 35 -3.933 5.023 -1.433 1.00 0.00 C ATOM 509 O CYS A 35 -3.534 6.142 -1.176 1.00 0.00 O ATOM 510 CB CYS A 35 -3.269 3.366 0.338 1.00 0.00 C ATOM 511 SG CYS A 35 -2.515 1.741 0.594 1.00 0.00 S ATOM 0 H CYS A 35 -1.177 4.397 -0.381 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.397 3.005 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.811 4.100 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.330 3.330 0.587 1.00 0.00 H new ATOM 516 N TYR A 36 -5.095 4.831 -1.994 1.00 0.00 N ATOM 517 CA TYR A 36 -5.959 5.998 -2.329 1.00 0.00 C ATOM 518 C TYR A 36 -6.693 6.513 -1.079 1.00 0.00 C ATOM 519 O TYR A 36 -6.510 7.651 -0.694 1.00 0.00 O ATOM 520 CB TYR A 36 -6.946 5.481 -3.376 1.00 0.00 C ATOM 521 CG TYR A 36 -6.421 5.795 -4.756 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.381 5.032 -5.298 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.975 6.848 -5.495 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.894 5.320 -6.578 1.00 0.00 C ATOM 525 CE2 TYR A 36 -6.488 7.137 -6.775 1.00 0.00 C ATOM 526 CZ TYR A 36 -5.447 6.373 -7.317 1.00 0.00 C ATOM 527 OH TYR A 36 -4.967 6.659 -8.579 1.00 0.00 O ATOM 0 H TYR A 36 -5.483 3.919 -2.234 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.378 6.840 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.083 4.406 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.922 5.944 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.954 4.220 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.778 7.437 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.092 4.730 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.915 7.949 -7.345 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.462 7.418 -8.953 1.00 0.00 H new ATOM 537 N PRO A 37 -7.496 5.670 -0.474 1.00 0.00 N ATOM 538 CA PRO A 37 -8.241 6.077 0.743 1.00 0.00 C ATOM 539 C PRO A 37 -7.274 6.560 1.828 1.00 0.00 C ATOM 540 O PRO A 37 -6.725 5.720 2.522 1.00 0.00 O ATOM 541 CB PRO A 37 -8.936 4.779 1.164 1.00 0.00 C ATOM 542 CG PRO A 37 -8.562 3.671 0.162 1.00 0.00 C ATOM 543 CD PRO A 37 -7.707 4.284 -0.955 1.00 0.00 C ATOM 544 OXT PRO A 37 -7.099 7.762 1.946 1.00 0.00 O ATOM 0 HA PRO A 37 -8.935 6.901 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.630 4.496 2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.017 4.919 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.012 2.876 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.462 3.220 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.765 3.751 -1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.219 4.262 -1.917 1.00 0.00 H new