USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.32 K(o=-1.3,f=-7.6!) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.062) USER MOD Single : A 13 SER OG : rot -99:sc= 1.01 USER MOD Single : A 18 TYR OH : rot -139:sc= -3.69! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00408 X(o=-0.0041,f=-0.19) USER MOD Single : A 41 MET CE :methyl -160:sc= -0.135 (180deg=-0.955) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.734 -13.219 -9.592 1.00 0.00 N ATOM 2 CA MET A 1 -4.490 -14.022 -8.380 1.00 0.00 C ATOM 3 C MET A 1 -5.626 -13.821 -7.389 1.00 0.00 C ATOM 4 O MET A 1 -5.974 -12.695 -7.041 1.00 0.00 O ATOM 5 CB MET A 1 -3.130 -13.680 -7.783 1.00 0.00 C ATOM 6 CG MET A 1 -2.148 -14.802 -7.960 1.00 0.00 C ATOM 7 SD MET A 1 -2.462 -16.064 -6.677 1.00 0.00 S ATOM 8 CE MET A 1 -0.796 -16.276 -6.032 1.00 0.00 C ATOM 0 H1 MET A 1 -3.954 -13.361 -10.265 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.629 -13.516 -10.031 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.792 -12.213 -9.336 1.00 0.00 H new ATOM 0 HA MET A 1 -4.466 -15.080 -8.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.741 -12.778 -8.256 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.243 -13.460 -6.722 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.249 -15.240 -8.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.128 -14.427 -7.880 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.807 -17.018 -5.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.136 -16.612 -6.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.434 -15.326 -5.639 1.00 0.00 H new ATOM 20 N VAL A 2 -6.159 -14.935 -6.896 1.00 0.00 N ATOM 21 CA VAL A 2 -7.348 -14.909 -6.055 1.00 0.00 C ATOM 22 C VAL A 2 -7.059 -15.565 -4.708 1.00 0.00 C ATOM 23 O VAL A 2 -6.410 -16.608 -4.642 1.00 0.00 O ATOM 24 CB VAL A 2 -8.546 -15.537 -6.796 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.030 -14.650 -7.931 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.251 -16.946 -7.296 1.00 0.00 C ATOM 0 H VAL A 2 -5.784 -15.868 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.625 -13.876 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.349 -15.619 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.875 -15.125 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.341 -13.685 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.222 -14.503 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.128 -17.341 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.408 -16.918 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.006 -17.588 -6.450 1.00 0.00 H new ATOM 36 N ASN A 3 -7.677 -15.022 -3.666 1.00 0.00 N ATOM 37 CA ASN A 3 -7.662 -15.641 -2.349 1.00 0.00 C ATOM 38 C ASN A 3 -6.240 -15.679 -1.797 1.00 0.00 C ATOM 39 O ASN A 3 -5.952 -16.410 -0.851 1.00 0.00 O ATOM 40 CB ASN A 3 -8.366 -16.997 -2.355 1.00 0.00 C ATOM 41 CG ASN A 3 -9.879 -16.887 -2.355 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.524 -17.012 -3.406 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.454 -16.647 -1.176 1.00 0.00 N ATOM 0 H ASN A 3 -8.199 -14.147 -3.710 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.242 -15.028 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.049 -17.559 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.050 -17.567 -1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.468 -16.558 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.880 -16.552 -0.338 1.00 0.00 H new ATOM 50 N LYS A 4 -5.411 -14.771 -2.298 1.00 0.00 N ATOM 51 CA LYS A 4 -4.088 -14.539 -1.737 1.00 0.00 C ATOM 52 C LYS A 4 -3.913 -13.066 -1.378 1.00 0.00 C ATOM 53 O LYS A 4 -4.890 -12.330 -1.248 1.00 0.00 O ATOM 54 CB LYS A 4 -2.977 -14.950 -2.706 1.00 0.00 C ATOM 55 CG LYS A 4 -1.954 -15.913 -2.104 1.00 0.00 C ATOM 56 CD LYS A 4 -2.486 -17.326 -1.946 1.00 0.00 C ATOM 57 CE LYS A 4 -1.605 -18.240 -1.203 1.00 0.00 C ATOM 58 NZ LYS A 4 -2.286 -19.522 -0.894 1.00 0.00 N ATOM 0 H LYS A 4 -5.635 -14.180 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.010 -15.154 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.427 -15.415 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.460 -14.055 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.067 -15.934 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.641 -15.538 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.450 -17.281 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.666 -17.744 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.706 -18.436 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.285 -17.765 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.637 -20.143 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.130 -19.336 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.569 -19.987 -1.780 1.00 0.00 H new ATOM 72 N GLN A 5 -2.673 -12.697 -1.072 1.00 0.00 N ATOM 73 CA GLN A 5 -2.383 -11.409 -0.457 1.00 0.00 C ATOM 74 C GLN A 5 -2.375 -10.306 -1.511 1.00 0.00 C ATOM 75 O GLN A 5 -3.354 -9.580 -1.672 1.00 0.00 O ATOM 76 CB GLN A 5 -1.076 -11.418 0.340 1.00 0.00 C ATOM 77 CG GLN A 5 -0.767 -10.101 1.024 1.00 0.00 C ATOM 78 CD GLN A 5 0.705 -9.908 1.300 1.00 0.00 C ATOM 79 OE1 GLN A 5 1.264 -8.829 1.127 1.00 0.00 O ATOM 80 NE2 GLN A 5 1.361 -11.010 1.661 1.00 0.00 N ATOM 0 H GLN A 5 -1.850 -13.276 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.180 -11.207 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.126 -12.205 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.254 -11.670 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.124 -9.282 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.317 -10.049 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.854 -11.885 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.370 -10.979 1.805 1.00 0.00 H new ATOM 89 N LYS A 6 -1.219 -10.126 -2.140 1.00 0.00 N ATOM 90 CA LYS A 6 -0.984 -8.981 -3.008 1.00 0.00 C ATOM 91 C LYS A 6 0.417 -9.057 -3.614 1.00 0.00 C ATOM 92 O LYS A 6 1.382 -9.376 -2.920 1.00 0.00 O ATOM 93 CB LYS A 6 -1.127 -7.656 -2.257 1.00 0.00 C ATOM 94 CG LYS A 6 -2.073 -6.661 -2.927 1.00 0.00 C ATOM 95 CD LYS A 6 -1.666 -6.317 -4.348 1.00 0.00 C ATOM 96 CE LYS A 6 -2.732 -5.719 -5.169 1.00 0.00 C ATOM 97 NZ LYS A 6 -3.312 -4.519 -4.516 1.00 0.00 N ATOM 0 H LYS A 6 -0.426 -10.763 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.738 -9.015 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.485 -7.859 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.143 -7.197 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.081 -7.076 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.109 -5.747 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.824 -5.626 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.314 -7.224 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.331 -5.446 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.517 -6.456 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.961 -4.045 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.833 -4.806 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.548 -3.865 -4.251 1.00 0.00 H new ATOM 111 N VAL A 7 0.477 -8.942 -4.937 1.00 0.00 N ATOM 112 CA VAL A 7 1.654 -9.352 -5.693 1.00 0.00 C ATOM 113 C VAL A 7 2.597 -8.164 -5.889 1.00 0.00 C ATOM 114 O VAL A 7 2.165 -7.012 -5.859 1.00 0.00 O ATOM 115 CB VAL A 7 1.242 -10.033 -7.012 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.289 -11.202 -6.794 1.00 0.00 C ATOM 117 CG2 VAL A 7 0.662 -9.039 -8.005 1.00 0.00 C ATOM 0 H VAL A 7 -0.279 -8.567 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 7 2.210 -10.100 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 7 2.158 -10.440 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.031 -11.645 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.771 -11.952 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.617 -10.846 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.384 -9.560 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.221 -8.567 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.406 -8.276 -8.233 1.00 0.00 H new ATOM 127 N CYS A 8 3.773 -8.482 -6.430 1.00 0.00 N ATOM 128 CA CYS A 8 4.759 -7.466 -6.774 1.00 0.00 C ATOM 129 C CYS A 8 4.928 -7.428 -8.312 1.00 0.00 C ATOM 130 O CYS A 8 5.631 -8.267 -8.898 1.00 0.00 O ATOM 131 CB CYS A 8 6.088 -7.743 -6.086 1.00 0.00 C ATOM 132 SG CYS A 8 7.309 -6.410 -6.198 1.00 0.00 S ATOM 0 H CYS A 8 4.063 -9.437 -6.638 1.00 0.00 H new ATOM 0 HA CYS A 8 4.411 -6.493 -6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.897 -7.951 -5.033 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.520 -8.646 -6.516 1.00 0.00 H new ATOM 137 N PRO A 9 4.536 -6.270 -8.887 1.00 0.00 N ATOM 138 CA PRO A 9 4.820 -5.946 -10.307 1.00 0.00 C ATOM 139 C PRO A 9 6.309 -5.846 -10.628 1.00 0.00 C ATOM 140 O PRO A 9 6.694 -5.722 -11.790 1.00 0.00 O ATOM 141 CB PRO A 9 4.060 -4.662 -10.616 1.00 0.00 C ATOM 142 CG PRO A 9 3.102 -4.395 -9.491 1.00 0.00 C ATOM 143 CD PRO A 9 3.563 -5.276 -8.340 1.00 0.00 C ATOM 0 HA PRO A 9 4.483 -6.760 -10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.754 -3.829 -10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.521 -4.758 -11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.114 -3.343 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.079 -4.635 -9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.030 -4.673 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.713 -5.784 -7.884 1.00 0.00 H new ATOM 151 N ALA A 10 7.098 -5.637 -9.576 1.00 0.00 N ATOM 152 CA ALA A 10 8.544 -5.537 -9.714 1.00 0.00 C ATOM 153 C ALA A 10 9.158 -6.918 -9.909 1.00 0.00 C ATOM 154 O ALA A 10 9.545 -7.287 -11.016 1.00 0.00 O ATOM 155 CB ALA A 10 9.146 -4.828 -8.505 1.00 0.00 C ATOM 0 H ALA A 10 6.758 -5.534 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 10 8.772 -4.943 -10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.227 -4.761 -8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.727 -3.825 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.914 -5.391 -7.601 1.00 0.00 H new ATOM 161 N CYS A 11 9.142 -7.714 -8.842 1.00 0.00 N ATOM 162 CA CYS A 11 9.871 -8.971 -8.821 1.00 0.00 C ATOM 163 C CYS A 11 8.986 -10.152 -9.207 1.00 0.00 C ATOM 164 O CYS A 11 9.401 -11.309 -8.986 1.00 0.00 O ATOM 165 CB CYS A 11 10.602 -9.186 -7.504 1.00 0.00 C ATOM 166 SG CYS A 11 9.573 -9.333 -6.031 1.00 0.00 S ATOM 0 H CYS A 11 8.631 -7.507 -7.984 1.00 0.00 H new ATOM 0 HA CYS A 11 10.642 -8.906 -9.588 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.205 -10.090 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.293 -8.356 -7.357 1.00 0.00 H new ATOM 171 N GLU A 12 7.689 -9.888 -9.297 1.00 0.00 N ATOM 172 CA GLU A 12 6.672 -10.919 -9.414 1.00 0.00 C ATOM 173 C GLU A 12 6.759 -11.909 -8.252 1.00 0.00 C ATOM 174 O GLU A 12 6.498 -13.100 -8.429 1.00 0.00 O ATOM 175 CB GLU A 12 6.796 -11.590 -10.766 1.00 0.00 C ATOM 176 CG GLU A 12 7.883 -12.615 -10.936 1.00 0.00 C ATOM 177 CD GLU A 12 7.728 -13.622 -12.043 1.00 0.00 C ATOM 178 OE1 GLU A 12 7.128 -13.401 -13.081 1.00 0.00 O ATOM 179 OE2 GLU A 12 8.453 -14.625 -11.865 1.00 0.00 O ATOM 0 H GLU A 12 7.312 -8.940 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 12 5.681 -10.469 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.844 -12.069 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.947 -10.812 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.822 -12.085 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.979 -13.161 -9.997 1.00 0.00 H new ATOM 186 N SER A 13 6.835 -11.354 -7.045 1.00 0.00 N ATOM 187 CA SER A 13 6.632 -12.120 -5.827 1.00 0.00 C ATOM 188 C SER A 13 5.142 -12.200 -5.489 1.00 0.00 C ATOM 189 O SER A 13 4.314 -11.612 -6.183 1.00 0.00 O ATOM 190 CB SER A 13 7.423 -11.551 -4.657 1.00 0.00 C ATOM 191 OG SER A 13 7.046 -10.216 -4.375 1.00 0.00 O ATOM 0 H SER A 13 7.038 -10.367 -6.888 1.00 0.00 H new ATOM 0 HA SER A 13 7.006 -13.128 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.263 -12.169 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.488 -11.589 -4.884 1.00 0.00 H new ATOM 0 HG SER A 13 7.689 -9.601 -4.786 1.00 0.00 H new ATOM 197 N ALA A 14 4.870 -12.668 -4.274 1.00 0.00 N ATOM 198 CA ALA A 14 3.547 -12.560 -3.677 1.00 0.00 C ATOM 199 C ALA A 14 3.603 -11.926 -2.287 1.00 0.00 C ATOM 200 O ALA A 14 2.565 -11.745 -1.644 1.00 0.00 O ATOM 201 CB ALA A 14 2.899 -13.939 -3.605 1.00 0.00 C ATOM 0 H ALA A 14 5.558 -13.130 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 14 2.944 -11.908 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.909 -13.853 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.808 -14.351 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.516 -14.600 -2.996 1.00 0.00 H new ATOM 207 N GLU A 15 4.813 -11.837 -1.754 1.00 0.00 N ATOM 208 CA GLU A 15 5.027 -11.468 -0.364 1.00 0.00 C ATOM 209 C GLU A 15 5.206 -9.952 -0.243 1.00 0.00 C ATOM 210 O GLU A 15 6.319 -9.447 -0.398 1.00 0.00 O ATOM 211 CB GLU A 15 6.256 -12.214 0.140 1.00 0.00 C ATOM 212 CG GLU A 15 6.324 -13.676 -0.210 1.00 0.00 C ATOM 213 CD GLU A 15 6.997 -14.055 -1.500 1.00 0.00 C ATOM 214 OE1 GLU A 15 6.501 -13.880 -2.600 1.00 0.00 O ATOM 215 OE2 GLU A 15 8.019 -14.748 -1.307 1.00 0.00 O ATOM 0 H GLU A 15 5.672 -12.018 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 15 4.164 -11.742 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.144 -11.723 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.297 -12.117 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.839 -14.191 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.305 -14.062 -0.237 1.00 0.00 H new ATOM 222 N LEU A 16 4.196 -9.315 0.341 1.00 0.00 N ATOM 223 CA LEU A 16 4.274 -7.909 0.704 1.00 0.00 C ATOM 224 C LEU A 16 3.891 -7.716 2.169 1.00 0.00 C ATOM 225 O LEU A 16 3.750 -8.684 2.915 1.00 0.00 O ATOM 226 CB LEU A 16 3.392 -7.118 -0.275 1.00 0.00 C ATOM 227 CG LEU A 16 3.485 -7.499 -1.743 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.567 -6.632 -2.594 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.931 -7.339 -2.198 1.00 0.00 C ATOM 0 H LEU A 16 3.307 -9.758 0.574 1.00 0.00 H new ATOM 0 HA LEU A 16 5.293 -7.531 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.354 -7.227 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.644 -6.062 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 16 3.167 -8.534 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.654 -6.927 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.536 -6.762 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.853 -5.586 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.013 -7.609 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.242 -6.303 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.573 -7.990 -1.605 1.00 0.00 H new ATOM 241 N ILE A 17 3.888 -6.458 2.594 1.00 0.00 N ATOM 242 CA ILE A 17 3.761 -6.120 4.006 1.00 0.00 C ATOM 243 C ILE A 17 3.307 -4.672 4.168 1.00 0.00 C ATOM 244 O ILE A 17 3.551 -3.836 3.300 1.00 0.00 O ATOM 245 CB ILE A 17 5.121 -6.393 4.754 1.00 0.00 C ATOM 246 CG1 ILE A 17 6.291 -5.844 3.898 1.00 0.00 C ATOM 247 CG2 ILE A 17 5.314 -7.880 5.118 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.699 -6.182 4.444 1.00 0.00 C ATOM 0 H ILE A 17 3.973 -5.651 1.976 1.00 0.00 H new ATOM 0 HA ILE A 17 2.999 -6.755 4.459 1.00 0.00 H new ATOM 0 HB ILE A 17 5.101 -5.867 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.202 -6.241 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.194 -4.761 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.267 -8.008 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.504 -8.203 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.308 -8.481 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.456 -5.759 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.813 -5.761 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.821 -7.264 4.490 1.00 0.00 H new ATOM 260 N TYR A 18 2.511 -4.440 5.205 1.00 0.00 N ATOM 261 CA TYR A 18 1.819 -3.171 5.378 1.00 0.00 C ATOM 262 C TYR A 18 2.431 -2.384 6.534 1.00 0.00 C ATOM 263 O TYR A 18 2.650 -2.928 7.616 1.00 0.00 O ATOM 264 CB TYR A 18 0.308 -3.389 5.602 1.00 0.00 C ATOM 265 CG TYR A 18 -0.551 -2.196 5.254 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.594 -1.085 6.097 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.340 -2.177 4.101 1.00 0.00 C ATOM 268 CE1 TYR A 18 -1.397 0.013 5.809 1.00 0.00 C ATOM 269 CE2 TYR A 18 -2.126 -1.071 3.782 1.00 0.00 C ATOM 270 CZ TYR A 18 -2.171 0.013 4.657 1.00 0.00 C ATOM 271 OH TYR A 18 -2.987 1.086 4.433 1.00 0.00 O ATOM 0 H TYR A 18 2.329 -5.120 5.943 1.00 0.00 H new ATOM 0 HA TYR A 18 1.939 -2.590 4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.016 -4.242 5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.141 -3.649 6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.010 -1.078 6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.341 -3.035 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.418 0.861 6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.695 -1.054 2.864 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.848 0.775 4.084 1.00 0.00 H new ATOM 281 N ASP A 19 2.944 -1.202 6.201 1.00 0.00 N ATOM 282 CA ASP A 19 3.572 -0.335 7.183 1.00 0.00 C ATOM 283 C ASP A 19 2.601 0.796 7.578 1.00 0.00 C ATOM 284 O ASP A 19 2.622 1.898 7.009 1.00 0.00 O ATOM 285 CB ASP A 19 4.935 0.167 6.720 1.00 0.00 C ATOM 286 CG ASP A 19 6.033 -0.034 7.748 1.00 0.00 C ATOM 287 OD1 ASP A 19 5.915 0.607 8.815 1.00 0.00 O ATOM 288 OD2 ASP A 19 6.980 -0.800 7.522 1.00 0.00 O ATOM 0 H ASP A 19 2.935 -0.825 5.253 1.00 0.00 H new ATOM 0 HA ASP A 19 3.781 -0.914 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.210 -0.349 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.861 1.228 6.481 1.00 0.00 H new ATOM 293 N PRO A 20 1.708 0.477 8.536 1.00 0.00 N ATOM 294 CA PRO A 20 0.598 1.384 8.924 1.00 0.00 C ATOM 295 C PRO A 20 1.070 2.740 9.444 1.00 0.00 C ATOM 296 O PRO A 20 0.262 3.634 9.690 1.00 0.00 O ATOM 297 CB PRO A 20 -0.251 0.625 9.935 1.00 0.00 C ATOM 298 CG PRO A 20 0.466 -0.639 10.307 1.00 0.00 C ATOM 299 CD PRO A 20 1.552 -0.820 9.255 1.00 0.00 C ATOM 0 HA PRO A 20 0.008 1.645 8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.423 1.237 10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.229 0.395 9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.896 -0.566 11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.217 -1.489 10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.492 -1.114 9.722 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.281 -1.613 8.558 1.00 0.00 H new ATOM 307 N GLU A 21 2.336 2.770 9.858 1.00 0.00 N ATOM 308 CA GLU A 21 2.941 3.995 10.365 1.00 0.00 C ATOM 309 C GLU A 21 3.002 5.046 9.256 1.00 0.00 C ATOM 310 O GLU A 21 2.331 6.075 9.336 1.00 0.00 O ATOM 311 CB GLU A 21 4.331 3.650 10.885 1.00 0.00 C ATOM 312 CG GLU A 21 4.384 3.047 12.264 1.00 0.00 C ATOM 313 CD GLU A 21 5.250 1.834 12.462 1.00 0.00 C ATOM 314 OE1 GLU A 21 5.014 0.744 11.971 1.00 0.00 O ATOM 315 OE2 GLU A 21 6.139 2.028 13.319 1.00 0.00 O ATOM 0 H GLU A 21 2.958 1.962 9.851 1.00 0.00 H new ATOM 0 HA GLU A 21 2.346 4.416 11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.797 2.955 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.935 4.557 10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.724 3.819 12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.367 2.784 12.555 1.00 0.00 H new ATOM 322 N ARG A 22 3.566 4.631 8.125 1.00 0.00 N ATOM 323 CA ARG A 22 3.626 5.475 6.942 1.00 0.00 C ATOM 324 C ARG A 22 2.283 5.468 6.214 1.00 0.00 C ATOM 325 O ARG A 22 1.978 6.383 5.450 1.00 0.00 O ATOM 326 CB ARG A 22 4.737 5.030 5.980 1.00 0.00 C ATOM 327 CG ARG A 22 6.068 5.738 6.181 1.00 0.00 C ATOM 328 CD ARG A 22 6.247 6.859 5.214 1.00 0.00 C ATOM 329 NE ARG A 22 5.361 7.979 5.501 1.00 0.00 N ATOM 330 CZ ARG A 22 5.589 8.859 6.477 1.00 0.00 C ATOM 331 NH1 ARG A 22 6.747 8.889 7.131 1.00 0.00 N ATOM 332 NH2 ARG A 22 4.654 9.764 6.769 1.00 0.00 N ATOM 0 H ARG A 22 3.989 3.711 8.006 1.00 0.00 H new ATOM 0 HA ARG A 22 3.854 6.487 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.890 3.957 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.402 5.197 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.126 6.123 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.882 5.023 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.282 7.200 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.058 6.498 4.203 1.00 0.00 H new ATOM 0 HE ARG A 22 4.526 8.096 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.486 8.229 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.896 9.572 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.777 9.778 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.816 10.443 7.513 1.00 0.00 H new ATOM 346 N GLY A 23 1.581 4.346 6.329 1.00 0.00 N ATOM 347 CA GLY A 23 0.409 4.081 5.507 1.00 0.00 C ATOM 348 C GLY A 23 0.823 3.469 4.173 1.00 0.00 C ATOM 349 O GLY A 23 0.362 3.894 3.114 1.00 0.00 O ATOM 0 H GLY A 23 1.807 3.602 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.265 3.404 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.139 5.007 5.335 1.00 0.00 H new ATOM 353 N GLU A 24 1.792 2.563 4.238 1.00 0.00 N ATOM 354 CA GLU A 24 2.452 2.052 3.042 1.00 0.00 C ATOM 355 C GLU A 24 2.216 0.545 2.921 1.00 0.00 C ATOM 356 O GLU A 24 2.084 -0.150 3.927 1.00 0.00 O ATOM 357 CB GLU A 24 3.935 2.378 3.151 1.00 0.00 C ATOM 358 CG GLU A 24 4.640 2.676 1.855 1.00 0.00 C ATOM 359 CD GLU A 24 4.690 4.109 1.402 1.00 0.00 C ATOM 360 OE1 GLU A 24 4.331 5.050 2.091 1.00 0.00 O ATOM 361 OE2 GLU A 24 5.352 4.242 0.350 1.00 0.00 O ATOM 0 H GLU A 24 2.139 2.166 5.111 1.00 0.00 H new ATOM 0 HA GLU A 24 2.046 2.517 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.051 3.238 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.437 1.538 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.665 2.315 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.160 2.092 1.070 1.00 0.00 H new ATOM 368 N ILE A 25 2.387 0.041 1.703 1.00 0.00 N ATOM 369 CA ILE A 25 2.543 -1.388 1.472 1.00 0.00 C ATOM 370 C ILE A 25 3.775 -1.647 0.604 1.00 0.00 C ATOM 371 O ILE A 25 4.088 -0.843 -0.277 1.00 0.00 O ATOM 372 CB ILE A 25 1.240 -1.988 0.822 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.006 -1.396 1.530 1.00 0.00 C ATOM 374 CG2 ILE A 25 1.229 -3.532 0.822 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.521 -0.072 0.914 1.00 0.00 C ATOM 0 H ILE A 25 2.421 0.608 0.856 1.00 0.00 H new ATOM 0 HA ILE A 25 2.693 -1.890 2.428 1.00 0.00 H new ATOM 0 HB ILE A 25 1.220 -1.701 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.809 -2.132 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.234 -1.226 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.308 -3.889 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.084 -3.902 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.288 -3.896 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.394 0.272 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.263 0.683 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.796 -0.238 -0.128 1.00 0.00 H new ATOM 387 N VAL A 26 4.582 -2.614 1.033 1.00 0.00 N ATOM 388 CA VAL A 26 5.920 -2.796 0.485 1.00 0.00 C ATOM 389 C VAL A 26 6.148 -4.267 0.131 1.00 0.00 C ATOM 390 O VAL A 26 5.475 -5.146 0.672 1.00 0.00 O ATOM 391 CB VAL A 26 6.988 -2.232 1.439 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.347 -2.068 0.765 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.546 -0.928 2.085 1.00 0.00 C ATOM 0 H VAL A 26 4.330 -3.284 1.760 1.00 0.00 H new ATOM 0 HA VAL A 26 6.011 -2.227 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 26 7.104 -2.974 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.063 -1.667 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.695 -3.037 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.255 -1.382 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.331 -0.567 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.356 -0.185 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.634 -1.097 2.658 1.00 0.00 H new ATOM 403 N CYS A 27 7.341 -4.513 -0.415 1.00 0.00 N ATOM 404 CA CYS A 27 7.735 -5.872 -0.789 1.00 0.00 C ATOM 405 C CYS A 27 8.764 -6.400 0.212 1.00 0.00 C ATOM 406 O CYS A 27 9.925 -5.981 0.183 1.00 0.00 O ATOM 407 CB CYS A 27 8.243 -5.905 -2.220 1.00 0.00 C ATOM 408 SG CYS A 27 8.545 -7.546 -2.918 1.00 0.00 S ATOM 0 H CYS A 27 8.043 -3.798 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 27 6.868 -6.532 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.520 -5.390 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.171 -5.335 -2.268 1.00 0.00 H new ATOM 413 N ALA A 28 8.440 -7.563 0.779 1.00 0.00 N ATOM 414 CA ALA A 28 9.332 -8.241 1.703 1.00 0.00 C ATOM 415 C ALA A 28 10.480 -8.930 0.980 1.00 0.00 C ATOM 416 O ALA A 28 11.377 -9.492 1.613 1.00 0.00 O ATOM 417 CB ALA A 28 8.545 -9.240 2.553 1.00 0.00 C ATOM 0 H ALA A 28 7.561 -8.052 0.609 1.00 0.00 H new ATOM 0 HA ALA A 28 9.773 -7.489 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.222 -9.744 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.778 -8.711 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.073 -9.978 1.904 1.00 0.00 H new ATOM 423 N LYS A 29 10.465 -8.854 -0.341 1.00 0.00 N ATOM 424 CA LYS A 29 11.587 -9.295 -1.159 1.00 0.00 C ATOM 425 C LYS A 29 12.460 -8.108 -1.550 1.00 0.00 C ATOM 426 O LYS A 29 13.516 -7.878 -0.965 1.00 0.00 O ATOM 427 CB LYS A 29 11.117 -10.010 -2.428 1.00 0.00 C ATOM 428 CG LYS A 29 11.782 -11.368 -2.656 1.00 0.00 C ATOM 429 CD LYS A 29 11.340 -12.038 -3.944 1.00 0.00 C ATOM 430 CE LYS A 29 11.271 -13.506 -3.886 1.00 0.00 C ATOM 431 NZ LYS A 29 12.515 -14.130 -4.403 1.00 0.00 N ATOM 0 H LYS A 29 9.678 -8.486 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 29 12.165 -9.998 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.037 -10.149 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.315 -9.370 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.864 -11.238 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.554 -12.023 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.358 -11.653 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.028 -11.752 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.104 -13.823 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.418 -13.855 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.433 -15.165 -4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.660 -13.846 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.325 -13.816 -3.831 1.00 0.00 H new ATOM 445 N CYS A 30 11.992 -7.341 -2.537 1.00 0.00 N ATOM 446 CA CYS A 30 12.870 -6.419 -3.249 1.00 0.00 C ATOM 447 C CYS A 30 13.030 -5.105 -2.498 1.00 0.00 C ATOM 448 O CYS A 30 13.767 -4.218 -2.941 1.00 0.00 O ATOM 449 CB CYS A 30 12.449 -6.235 -4.696 1.00 0.00 C ATOM 450 SG CYS A 30 10.831 -5.489 -4.974 1.00 0.00 S ATOM 0 H CYS A 30 11.023 -7.341 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 30 13.861 -6.871 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.199 -5.620 -5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.463 -7.210 -5.182 1.00 0.00 H new ATOM 455 N GLY A 31 12.102 -4.872 -1.566 1.00 0.00 N ATOM 456 CA GLY A 31 12.133 -3.660 -0.757 1.00 0.00 C ATOM 457 C GLY A 31 11.151 -2.614 -1.281 1.00 0.00 C ATOM 458 O GLY A 31 11.147 -1.475 -0.799 1.00 0.00 O ATOM 0 H GLY A 31 11.328 -5.503 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.889 -3.905 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.142 -3.247 -0.757 1.00 0.00 H new ATOM 462 N TYR A 32 10.630 -2.893 -2.476 1.00 0.00 N ATOM 463 CA TYR A 32 9.868 -1.913 -3.235 1.00 0.00 C ATOM 464 C TYR A 32 8.534 -1.631 -2.546 1.00 0.00 C ATOM 465 O TYR A 32 7.831 -2.552 -2.136 1.00 0.00 O ATOM 466 CB TYR A 32 9.652 -2.366 -4.691 1.00 0.00 C ATOM 467 CG TYR A 32 8.822 -1.414 -5.523 1.00 0.00 C ATOM 468 CD1 TYR A 32 9.106 -0.047 -5.564 1.00 0.00 C ATOM 469 CD2 TYR A 32 7.817 -1.901 -6.359 1.00 0.00 C ATOM 470 CE1 TYR A 32 8.381 0.819 -6.382 1.00 0.00 C ATOM 471 CE2 TYR A 32 7.086 -1.052 -7.185 1.00 0.00 C ATOM 472 CZ TYR A 32 7.383 0.304 -7.208 1.00 0.00 C ATOM 473 OH TYR A 32 6.673 1.100 -8.062 1.00 0.00 O ATOM 0 H TYR A 32 10.725 -3.797 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 32 10.446 -0.989 -3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.624 -2.493 -5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.168 -3.343 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.903 0.347 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.602 -2.959 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.591 1.878 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.293 -1.445 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 32 6.023 0.555 -8.553 1.00 0.00 H new ATOM 483 N VAL A 33 8.149 -0.358 -2.548 1.00 0.00 N ATOM 484 CA VAL A 33 6.784 0.029 -2.217 1.00 0.00 C ATOM 485 C VAL A 33 5.806 -0.578 -3.229 1.00 0.00 C ATOM 486 O VAL A 33 6.159 -0.771 -4.393 1.00 0.00 O ATOM 487 CB VAL A 33 6.657 1.559 -2.094 1.00 0.00 C ATOM 488 CG1 VAL A 33 5.224 2.008 -1.826 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.602 2.121 -1.044 1.00 0.00 C ATOM 0 H VAL A 33 8.765 0.423 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 33 6.522 -0.373 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 33 6.947 1.965 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.192 3.095 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.582 1.684 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.873 1.567 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.482 3.203 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.372 1.680 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.631 1.884 -1.316 1.00 0.00 H new ATOM 499 N ILE A 34 4.529 -0.497 -2.866 1.00 0.00 N ATOM 500 CA ILE A 34 3.442 -0.849 -3.769 1.00 0.00 C ATOM 501 C ILE A 34 2.567 0.380 -4.028 1.00 0.00 C ATOM 502 O ILE A 34 2.790 1.111 -4.992 1.00 0.00 O ATOM 503 CB ILE A 34 2.611 -2.041 -3.158 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.528 -3.289 -3.054 1.00 0.00 C ATOM 505 CG2 ILE A 34 1.307 -2.333 -3.924 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.809 -3.994 -4.403 1.00 0.00 C ATOM 0 H ILE A 34 4.222 -0.188 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 34 3.845 -1.178 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 34 2.280 -1.751 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.478 -2.990 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.069 -4.006 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.785 -3.164 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.670 -1.449 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.542 -2.593 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.457 -4.854 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.869 -4.328 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.299 -3.297 -5.083 1.00 0.00 H new ATOM 518 N GLU A 35 1.766 0.719 -3.024 1.00 0.00 N ATOM 519 CA GLU A 35 1.082 2.006 -2.980 1.00 0.00 C ATOM 520 C GLU A 35 1.048 2.531 -1.544 1.00 0.00 C ATOM 521 O GLU A 35 1.544 1.876 -0.628 1.00 0.00 O ATOM 522 CB GLU A 35 -0.321 1.809 -3.539 1.00 0.00 C ATOM 523 CG GLU A 35 -1.251 2.986 -3.416 1.00 0.00 C ATOM 524 CD GLU A 35 -0.933 4.215 -4.221 1.00 0.00 C ATOM 525 OE1 GLU A 35 -0.158 4.230 -5.160 1.00 0.00 O ATOM 526 OE2 GLU A 35 -1.663 5.180 -3.910 1.00 0.00 O ATOM 0 H GLU A 35 1.574 0.116 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 35 1.608 2.748 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.237 1.546 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.776 0.957 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.251 2.653 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.290 3.274 -2.365 1.00 0.00 H new ATOM 533 N GLU A 36 0.673 3.798 -1.416 1.00 0.00 N ATOM 534 CA GLU A 36 0.826 4.527 -0.162 1.00 0.00 C ATOM 535 C GLU A 36 -0.203 5.654 -0.081 1.00 0.00 C ATOM 536 O GLU A 36 -1.198 5.648 -0.804 1.00 0.00 O ATOM 537 CB GLU A 36 2.251 5.061 -0.102 1.00 0.00 C ATOM 538 CG GLU A 36 2.582 6.159 -1.078 1.00 0.00 C ATOM 539 CD GLU A 36 3.312 5.778 -2.336 1.00 0.00 C ATOM 540 OE1 GLU A 36 3.350 4.645 -2.783 1.00 0.00 O ATOM 541 OE2 GLU A 36 3.727 6.781 -2.956 1.00 0.00 O ATOM 0 H GLU A 36 0.258 4.345 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 36 0.651 3.872 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.439 5.429 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.937 4.231 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.650 6.645 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.182 6.904 -0.555 1.00 0.00 H new ATOM 548 N ASN A 37 -0.075 6.454 0.973 1.00 0.00 N ATOM 549 CA ASN A 37 -0.975 7.576 1.195 1.00 0.00 C ATOM 550 C ASN A 37 -2.392 7.076 1.468 1.00 0.00 C ATOM 551 O ASN A 37 -3.355 7.568 0.884 1.00 0.00 O ATOM 552 CB ASN A 37 -0.883 8.604 0.071 1.00 0.00 C ATOM 553 CG ASN A 37 -1.109 10.029 0.541 1.00 0.00 C ATOM 554 OD1 ASN A 37 -0.399 10.524 1.427 1.00 0.00 O ATOM 555 ND2 ASN A 37 -2.099 10.696 -0.051 1.00 0.00 N ATOM 0 H ASN A 37 0.645 6.344 1.687 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.661 8.112 2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.099 8.534 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.619 8.361 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.300 11.658 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.656 10.244 -0.776 1.00 0.00 H new ATOM 562 N ILE A 38 -2.507 6.222 2.479 1.00 0.00 N ATOM 563 CA ILE A 38 -3.803 5.813 3.000 1.00 0.00 C ATOM 564 C ILE A 38 -4.235 6.735 4.136 1.00 0.00 C ATOM 565 O ILE A 38 -3.421 7.469 4.695 1.00 0.00 O ATOM 566 CB ILE A 38 -3.755 4.305 3.458 1.00 0.00 C ATOM 567 CG1 ILE A 38 -2.535 4.098 4.392 1.00 0.00 C ATOM 568 CG2 ILE A 38 -3.753 3.322 2.270 1.00 0.00 C ATOM 569 CD1 ILE A 38 -2.887 3.544 5.794 1.00 0.00 C ATOM 0 H ILE A 38 -1.711 5.798 2.956 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.548 5.896 2.209 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.668 4.082 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.836 3.414 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.018 5.050 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.719 2.299 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.659 3.463 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.880 3.509 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.975 3.430 6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.560 4.236 6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.375 2.575 5.690 1.00 0.00 H new ATOM 581 N ILE A 39 -5.544 6.791 4.358 1.00 0.00 N ATOM 582 CA ILE A 39 -6.132 7.765 5.266 1.00 0.00 C ATOM 583 C ILE A 39 -5.954 9.177 4.719 1.00 0.00 C ATOM 584 O ILE A 39 -4.866 9.747 4.793 1.00 0.00 O ATOM 585 CB ILE A 39 -5.510 7.613 6.706 1.00 0.00 C ATOM 586 CG1 ILE A 39 -5.453 6.109 7.079 1.00 0.00 C ATOM 587 CG2 ILE A 39 -6.255 8.448 7.768 1.00 0.00 C ATOM 588 CD1 ILE A 39 -6.813 5.375 6.985 1.00 0.00 C ATOM 0 H ILE A 39 -6.221 6.168 3.917 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.203 7.577 5.346 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.496 8.014 6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.739 5.611 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.072 6.013 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.783 8.305 8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.213 9.503 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.296 8.127 7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.682 4.329 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.527 5.843 7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.189 5.435 5.964 1.00 0.00 H new ATOM 600 N ASP A 40 -7.084 9.806 4.405 1.00 0.00 N ATOM 601 CA ASP A 40 -7.091 11.176 3.916 1.00 0.00 C ATOM 602 C ASP A 40 -8.521 11.704 3.836 1.00 0.00 C ATOM 603 O ASP A 40 -9.472 10.931 3.737 1.00 0.00 O ATOM 604 CB ASP A 40 -6.301 11.316 2.617 1.00 0.00 C ATOM 605 CG ASP A 40 -5.595 12.653 2.486 1.00 0.00 C ATOM 606 OD1 ASP A 40 -4.660 12.865 3.288 1.00 0.00 O ATOM 607 OD2 ASP A 40 -5.945 13.474 1.627 1.00 0.00 O ATOM 0 H ASP A 40 -8.009 9.383 4.482 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.568 11.812 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.563 10.516 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.978 11.186 1.772 1.00 0.00 H new ATOM 612 N MET A 41 -8.657 13.009 4.047 1.00 0.00 N ATOM 613 CA MET A 41 -9.961 13.629 4.230 1.00 0.00 C ATOM 614 C MET A 41 -10.121 14.819 3.289 1.00 0.00 C ATOM 615 O MET A 41 -9.356 15.780 3.357 1.00 0.00 O ATOM 616 CB MET A 41 -10.180 14.025 5.689 1.00 0.00 C ATOM 617 CG MET A 41 -9.766 12.912 6.617 1.00 0.00 C ATOM 618 SD MET A 41 -10.343 13.356 8.295 1.00 0.00 S ATOM 619 CE MET A 41 -9.380 14.851 8.569 1.00 0.00 C ATOM 0 H MET A 41 -7.873 13.660 4.095 1.00 0.00 H new ATOM 0 HA MET A 41 -10.731 12.900 3.977 1.00 0.00 H new ATOM 0 HB2 MET A 41 -9.608 14.924 5.916 1.00 0.00 H new ATOM 0 HB3 MET A 41 -11.231 14.267 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 41 -10.202 11.965 6.299 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.684 12.784 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.326 15.058 9.638 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.373 14.713 8.175 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.857 15.689 8.060 1.00 0.00 H new ATOM 629 N GLY A 42 -11.233 14.823 2.561 1.00 0.00 N ATOM 630 CA GLY A 42 -11.632 15.966 1.760 1.00 0.00 C ATOM 631 C GLY A 42 -10.591 16.217 0.651 1.00 0.00 C ATOM 632 O GLY A 42 -10.086 17.335 0.474 1.00 0.00 O ATOM 0 H GLY A 42 -11.879 14.035 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.612 15.787 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.724 16.850 2.392 1.00 0.00 H new ATOM 636 N PRO A 43 -10.264 15.136 -0.084 1.00 0.00 N ATOM 637 CA PRO A 43 -9.405 15.226 -1.295 1.00 0.00 C ATOM 638 C PRO A 43 -9.945 16.180 -2.354 1.00 0.00 C ATOM 639 O PRO A 43 -10.481 15.757 -3.375 1.00 0.00 O ATOM 640 CB PRO A 43 -9.231 13.803 -1.808 1.00 0.00 C ATOM 641 CG PRO A 43 -10.053 12.877 -0.962 1.00 0.00 C ATOM 642 CD PRO A 43 -10.852 13.764 -0.020 1.00 0.00 C ATOM 0 HA PRO A 43 -8.440 15.662 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.543 13.738 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.180 13.515 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.714 12.269 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.416 12.190 -0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.902 13.784 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.811 13.377 0.998 1.00 0.00 H new ATOM 650 N GLU A 44 -9.766 17.473 -2.104 1.00 0.00 N ATOM 651 CA GLU A 44 -10.018 18.493 -3.116 1.00 0.00 C ATOM 652 C GLU A 44 -9.517 19.852 -2.626 1.00 0.00 C ATOM 653 O GLU A 44 -9.593 20.153 -1.436 1.00 0.00 O ATOM 654 CB GLU A 44 -11.515 18.515 -3.395 1.00 0.00 C ATOM 655 CG GLU A 44 -12.409 18.392 -2.190 1.00 0.00 C ATOM 656 CD GLU A 44 -13.807 17.881 -2.407 1.00 0.00 C ATOM 657 OE1 GLU A 44 -14.723 18.567 -2.826 1.00 0.00 O ATOM 658 OE2 GLU A 44 -13.874 16.639 -2.280 1.00 0.00 O ATOM 0 H GLU A 44 -9.447 17.840 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.483 18.267 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.756 19.446 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.749 17.702 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.918 17.733 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.479 19.374 -1.723 1.00 0.00 H new ATOM 665 N TRP A 45 -8.824 20.553 -3.516 1.00 0.00 N ATOM 666 CA TRP A 45 -8.058 21.734 -3.141 1.00 0.00 C ATOM 667 C TRP A 45 -6.971 21.362 -2.135 1.00 0.00 C ATOM 668 O TRP A 45 -7.225 21.299 -0.933 1.00 0.00 O ATOM 669 CB TRP A 45 -8.969 22.850 -2.629 1.00 0.00 C ATOM 670 CG TRP A 45 -10.010 23.302 -3.591 1.00 0.00 C ATOM 671 CD1 TRP A 45 -11.351 23.450 -3.361 1.00 0.00 C ATOM 672 CD2 TRP A 45 -9.801 23.676 -4.963 1.00 0.00 C ATOM 673 NE1 TRP A 45 -11.985 23.892 -4.499 1.00 0.00 N ATOM 674 CE2 TRP A 45 -11.059 24.041 -5.492 1.00 0.00 C ATOM 675 CE3 TRP A 45 -8.674 23.729 -5.777 1.00 0.00 C ATOM 676 CZ2 TRP A 45 -11.217 24.459 -6.805 1.00 0.00 C ATOM 677 CZ3 TRP A 45 -8.830 24.145 -7.084 1.00 0.00 C ATOM 678 CH2 TRP A 45 -10.075 24.502 -7.592 1.00 0.00 C ATOM 0 H TRP A 45 -8.777 20.321 -4.508 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.563 22.126 -4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.461 22.508 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.352 23.706 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.842 23.249 -2.420 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.984 24.078 -4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.702 23.452 -5.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.184 24.738 -7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.964 24.195 -7.728 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.154 24.819 -8.621 1.00 0.00 H new ATOM 689 N ARG A 46 -5.826 20.944 -2.662 1.00 0.00 N ATOM 690 CA ARG A 46 -4.805 20.280 -1.862 1.00 0.00 C ATOM 691 C ARG A 46 -3.604 21.200 -1.664 1.00 0.00 C ATOM 692 O ARG A 46 -3.403 21.749 -0.582 1.00 0.00 O ATOM 693 CB ARG A 46 -4.350 18.963 -2.502 1.00 0.00 C ATOM 694 CG ARG A 46 -3.294 18.204 -1.712 1.00 0.00 C ATOM 695 CD ARG A 46 -3.532 16.732 -1.747 1.00 0.00 C ATOM 696 NE ARG A 46 -2.478 15.991 -1.068 1.00 0.00 N ATOM 697 CZ ARG A 46 -1.547 15.286 -1.715 1.00 0.00 C ATOM 698 NH1 ARG A 46 -1.398 15.376 -3.034 1.00 0.00 N ATOM 699 NH2 ARG A 46 -0.711 14.516 -1.018 1.00 0.00 N ATOM 0 H ARG A 46 -5.581 21.054 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.249 20.049 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.219 18.319 -2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.958 19.175 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.307 18.423 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.295 18.549 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.491 16.509 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.598 16.400 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.450 16.012 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.003 15.994 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.679 14.827 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.787 14.470 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.004 13.973 -1.501 1.00 0.00 H new ATOM 713 N ALA A 47 -2.748 21.252 -2.680 1.00 0.00 N ATOM 714 CA ALA A 47 -1.414 21.825 -2.531 1.00 0.00 C ATOM 715 C ALA A 47 -0.777 22.036 -3.902 1.00 0.00 C ATOM 716 O ALA A 47 -1.477 22.238 -4.895 1.00 0.00 O ATOM 717 CB ALA A 47 -0.551 20.924 -1.653 1.00 0.00 C ATOM 0 H ALA A 47 -2.954 20.904 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.493 22.796 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.442 21.361 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.010 20.827 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.468 19.939 -2.113 1.00 0.00 H new ATOM 723 N PHE A 48 0.543 22.181 -3.901 1.00 0.00 N ATOM 724 CA PHE A 48 1.276 22.625 -5.078 1.00 0.00 C ATOM 725 C PHE A 48 1.044 24.113 -5.319 1.00 0.00 C ATOM 726 O PHE A 48 1.924 24.937 -5.080 1.00 0.00 O ATOM 727 CB PHE A 48 0.917 21.844 -6.369 1.00 0.00 C ATOM 728 CG PHE A 48 2.014 20.911 -6.796 1.00 0.00 C ATOM 729 CD1 PHE A 48 2.386 19.908 -5.898 1.00 0.00 C ATOM 730 CD2 PHE A 48 2.628 20.973 -8.046 1.00 0.00 C ATOM 731 CE1 PHE A 48 3.397 19.012 -6.209 1.00 0.00 C ATOM 732 CE2 PHE A 48 3.650 20.079 -8.382 1.00 0.00 C ATOM 733 CZ PHE A 48 4.051 19.117 -7.439 1.00 0.00 C ATOM 0 H PHE A 48 1.131 21.995 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 48 2.326 22.427 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.003 21.274 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.711 22.551 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.879 19.829 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.312 21.718 -8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.676 18.240 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.124 20.127 -9.351 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.872 18.453 -7.667 1.00 0.00 H new ATOM 743 N ASP A 49 -0.169 24.438 -5.752 1.00 0.00 N ATOM 744 CA ASP A 49 -0.588 25.825 -5.895 1.00 0.00 C ATOM 745 C ASP A 49 -2.110 25.926 -5.881 1.00 0.00 C ATOM 746 O ASP A 49 -2.809 24.921 -5.775 1.00 0.00 O ATOM 747 CB ASP A 49 0.072 26.492 -7.101 1.00 0.00 C ATOM 748 CG ASP A 49 0.229 25.561 -8.289 1.00 0.00 C ATOM 749 OD1 ASP A 49 1.240 24.827 -8.287 1.00 0.00 O ATOM 750 OD2 ASP A 49 -0.611 25.549 -9.201 1.00 0.00 O ATOM 0 H ASP A 49 -0.881 23.755 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.237 26.393 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.522 27.355 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.053 26.866 -6.809 1.00 0.00 H new ATOM 755 N ALA A 50 -2.599 27.126 -6.180 1.00 0.00 N ATOM 756 CA ALA A 50 -4.029 27.399 -6.145 1.00 0.00 C ATOM 757 C ALA A 50 -4.575 27.193 -4.734 1.00 0.00 C ATOM 758 O ALA A 50 -4.791 28.179 -4.013 1.00 0.00 O ATOM 759 CB ALA A 50 -4.763 26.515 -7.149 1.00 0.00 C ATOM 760 OXT ALA A 50 -4.585 26.053 -4.244 1.00 0.00 O ATOM 0 H ALA A 50 -2.024 27.924 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.194 28.440 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.831 26.731 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.388 26.715 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.596 25.467 -6.901 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.255 -7.202 -5.138 1.00 0.00 ZN