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+ 166:sc= -0.0275 (180deg=-0.223) USER MOD Single : A 3 ASN : amide:sc= 0.45 K(o=0.45,f=-6.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= 0.642 (180deg=0.0868) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.489 K(o=-0.49,f=-1.4) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.595 -8.061 -0.239 1.00 0.00 N ATOM 2 CA MET A 1 -5.288 -9.472 0.056 1.00 0.00 C ATOM 3 C MET A 1 -6.530 -10.325 -0.159 1.00 0.00 C ATOM 4 O MET A 1 -7.205 -10.718 0.791 1.00 0.00 O ATOM 5 CB MET A 1 -4.723 -9.612 1.463 1.00 0.00 C ATOM 6 CG MET A 1 -5.537 -8.822 2.456 1.00 0.00 C ATOM 7 SD MET A 1 -4.982 -9.309 4.129 1.00 0.00 S ATOM 8 CE MET A 1 -6.569 -9.685 4.886 1.00 0.00 C ATOM 0 H1 MET A 1 -4.834 -7.456 0.129 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.674 -7.931 -1.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.494 -7.799 0.213 1.00 0.00 H new ATOM 0 HA MET A 1 -4.520 -9.831 -0.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.713 -10.663 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.689 -9.267 1.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.398 -7.752 2.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.600 -9.026 2.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.414 -10.001 5.918 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.200 -8.796 4.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.057 -10.486 4.330 1.00 0.00 H new ATOM 20 N VAL A 2 -6.865 -10.543 -1.429 1.00 0.00 N ATOM 21 CA VAL A 2 -7.907 -11.493 -1.793 1.00 0.00 C ATOM 22 C VAL A 2 -7.411 -12.924 -1.599 1.00 0.00 C ATOM 23 O VAL A 2 -6.304 -13.142 -1.109 1.00 0.00 O ATOM 24 CB VAL A 2 -8.416 -11.210 -3.221 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.385 -10.035 -3.275 1.00 0.00 C ATOM 26 CG2 VAL A 2 -7.266 -11.009 -4.196 1.00 0.00 C ATOM 0 H VAL A 2 -6.428 -10.073 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.764 -11.371 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.971 -12.097 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.712 -9.880 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.250 -10.248 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.887 -9.136 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.663 -10.812 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.659 -10.163 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.650 -11.908 -4.223 1.00 0.00 H new ATOM 36 N ASN A 3 -8.132 -13.857 -2.214 1.00 0.00 N ATOM 37 CA ASN A 3 -7.698 -15.241 -2.295 1.00 0.00 C ATOM 38 C ASN A 3 -6.906 -15.483 -3.579 1.00 0.00 C ATOM 39 O ASN A 3 -6.609 -16.625 -3.926 1.00 0.00 O ATOM 40 CB ASN A 3 -8.861 -16.211 -2.090 1.00 0.00 C ATOM 41 CG ASN A 3 -10.047 -15.922 -2.991 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.165 -14.824 -3.552 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.944 -16.900 -3.118 1.00 0.00 N ATOM 0 H ASN A 3 -9.027 -13.673 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.013 -15.443 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.514 -17.228 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.184 -16.166 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.772 -16.761 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.803 -17.788 -2.636 1.00 0.00 H new ATOM 50 N LYS A 4 -6.358 -14.394 -4.112 1.00 0.00 N ATOM 51 CA LYS A 4 -5.414 -14.464 -5.215 1.00 0.00 C ATOM 52 C LYS A 4 -4.117 -13.741 -4.855 1.00 0.00 C ATOM 53 O LYS A 4 -3.059 -14.037 -5.410 1.00 0.00 O ATOM 54 CB LYS A 4 -5.984 -13.850 -6.496 1.00 0.00 C ATOM 55 CG LYS A 4 -5.871 -14.757 -7.721 1.00 0.00 C ATOM 56 CD LYS A 4 -7.198 -15.366 -8.136 1.00 0.00 C ATOM 57 CE LYS A 4 -7.550 -15.177 -9.552 1.00 0.00 C ATOM 58 NZ LYS A 4 -7.898 -13.762 -9.841 1.00 0.00 N ATOM 0 H LYS A 4 -6.556 -13.446 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.216 -15.521 -5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.033 -13.604 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.465 -12.913 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.465 -14.183 -8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.161 -15.557 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.174 -16.435 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.987 -14.936 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.713 -15.483 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.392 -15.820 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.141 -13.663 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.712 -13.479 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.085 -13.152 -9.620 1.00 0.00 H new ATOM 72 N GLN A 5 -4.183 -12.978 -3.769 1.00 0.00 N ATOM 73 CA GLN A 5 -3.003 -12.356 -3.188 1.00 0.00 C ATOM 74 C GLN A 5 -2.494 -11.233 -4.090 1.00 0.00 C ATOM 75 O GLN A 5 -2.005 -11.486 -5.191 1.00 0.00 O ATOM 76 CB GLN A 5 -1.889 -13.360 -2.883 1.00 0.00 C ATOM 77 CG GLN A 5 -1.752 -13.692 -1.410 1.00 0.00 C ATOM 78 CD GLN A 5 -0.893 -14.905 -1.155 1.00 0.00 C ATOM 79 OE1 GLN A 5 0.279 -14.810 -0.798 1.00 0.00 O ATOM 80 NE2 GLN A 5 -1.478 -16.076 -1.399 1.00 0.00 N ATOM 0 H GLN A 5 -5.050 -12.776 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.306 -11.934 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.079 -14.279 -3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.942 -12.959 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.325 -12.835 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.743 -13.860 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.454 -16.107 -1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.950 -16.942 -1.291 1.00 0.00 H new ATOM 89 N LYS A 6 -2.456 -10.028 -3.533 1.00 0.00 N ATOM 90 CA LYS A 6 -1.739 -8.916 -4.146 1.00 0.00 C ATOM 91 C LYS A 6 -0.253 -9.247 -4.262 1.00 0.00 C ATOM 92 O LYS A 6 0.286 -9.999 -3.451 1.00 0.00 O ATOM 93 CB LYS A 6 -1.901 -7.624 -3.344 1.00 0.00 C ATOM 94 CG LYS A 6 -1.726 -6.352 -4.175 1.00 0.00 C ATOM 95 CD LYS A 6 -2.895 -5.393 -4.048 1.00 0.00 C ATOM 96 CE LYS A 6 -3.708 -5.243 -5.265 1.00 0.00 C ATOM 97 NZ LYS A 6 -3.160 -4.190 -6.158 1.00 0.00 N ATOM 0 H LYS A 6 -2.916 -9.795 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.167 -8.763 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.890 -7.614 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.174 -7.619 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.812 -5.845 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.599 -6.624 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.539 -5.734 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.513 -4.413 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.744 -6.192 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.733 -4.992 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.756 -4.110 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.149 -3.280 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.191 -4.442 -6.438 1.00 0.00 H new ATOM 111 N VAL A 7 0.341 -8.827 -5.374 1.00 0.00 N ATOM 112 CA VAL A 7 1.639 -9.336 -5.795 1.00 0.00 C ATOM 113 C VAL A 7 2.637 -8.185 -5.945 1.00 0.00 C ATOM 114 O VAL A 7 2.253 -7.017 -5.883 1.00 0.00 O ATOM 115 CB VAL A 7 1.496 -10.181 -7.078 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.521 -11.338 -6.911 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.121 -9.321 -8.276 1.00 0.00 C ATOM 0 H VAL A 7 -0.060 -8.131 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 7 2.037 -10.000 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 7 2.477 -10.617 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.459 -11.899 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.870 -11.996 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.465 -10.949 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.029 -9.950 -9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.170 -8.824 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.895 -8.572 -8.442 1.00 0.00 H new ATOM 127 N CYS A 8 3.797 -8.536 -6.504 1.00 0.00 N ATOM 128 CA CYS A 8 4.806 -7.556 -6.866 1.00 0.00 C ATOM 129 C CYS A 8 4.940 -7.508 -8.411 1.00 0.00 C ATOM 130 O CYS A 8 5.662 -8.327 -9.007 1.00 0.00 O ATOM 131 CB CYS A 8 6.150 -7.872 -6.227 1.00 0.00 C ATOM 132 SG CYS A 8 7.366 -6.532 -6.324 1.00 0.00 S ATOM 0 H CYS A 8 4.056 -9.500 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 8 4.491 -6.582 -6.492 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.989 -8.123 -5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.566 -8.758 -6.707 1.00 0.00 H new ATOM 137 N PRO A 9 4.611 -6.306 -8.949 1.00 0.00 N ATOM 138 CA PRO A 9 4.900 -5.956 -10.360 1.00 0.00 C ATOM 139 C PRO A 9 6.386 -5.798 -10.669 1.00 0.00 C ATOM 140 O PRO A 9 6.762 -5.507 -11.805 1.00 0.00 O ATOM 141 CB PRO A 9 4.095 -4.697 -10.669 1.00 0.00 C ATOM 142 CG PRO A 9 3.127 -4.469 -9.545 1.00 0.00 C ATOM 143 CD PRO A 9 3.621 -5.330 -8.394 1.00 0.00 C ATOM 0 HA PRO A 9 4.601 -6.779 -11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.759 -3.839 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.561 -4.810 -11.613 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.097 -3.417 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.115 -4.749 -9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.083 -4.712 -7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.789 -5.854 -7.924 1.00 0.00 H new ATOM 151 N ALA A 10 7.180 -5.735 -9.600 1.00 0.00 N ATOM 152 CA ALA A 10 8.625 -5.601 -9.738 1.00 0.00 C ATOM 153 C ALA A 10 9.273 -6.969 -9.902 1.00 0.00 C ATOM 154 O ALA A 10 9.590 -7.390 -11.014 1.00 0.00 O ATOM 155 CB ALA A 10 9.208 -4.844 -8.550 1.00 0.00 C ATOM 0 H ALA A 10 6.847 -5.774 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 10 8.840 -5.022 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.288 -4.754 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.764 -3.850 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.990 -5.387 -7.630 1.00 0.00 H new ATOM 161 N CYS A 11 9.349 -7.713 -8.797 1.00 0.00 N ATOM 162 CA CYS A 11 10.179 -8.909 -8.754 1.00 0.00 C ATOM 163 C CYS A 11 9.413 -10.151 -9.197 1.00 0.00 C ATOM 164 O CYS A 11 9.911 -11.273 -8.975 1.00 0.00 O ATOM 165 CB CYS A 11 10.858 -9.081 -7.404 1.00 0.00 C ATOM 166 SG CYS A 11 9.769 -9.325 -5.987 1.00 0.00 S ATOM 0 H CYS A 11 8.850 -7.508 -7.931 1.00 0.00 H new ATOM 0 HA CYS A 11 10.980 -8.773 -9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.534 -9.934 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.473 -8.201 -7.216 1.00 0.00 H new ATOM 171 N GLU A 12 8.106 -9.990 -9.357 1.00 0.00 N ATOM 172 CA GLU A 12 7.185 -11.101 -9.539 1.00 0.00 C ATOM 173 C GLU A 12 7.281 -12.082 -8.370 1.00 0.00 C ATOM 174 O GLU A 12 7.195 -13.296 -8.565 1.00 0.00 O ATOM 175 CB GLU A 12 7.445 -11.748 -10.880 1.00 0.00 C ATOM 176 CG GLU A 12 8.599 -12.706 -10.984 1.00 0.00 C ATOM 177 CD GLU A 12 9.849 -12.226 -11.669 1.00 0.00 C ATOM 178 OE1 GLU A 12 9.594 -11.579 -12.707 1.00 0.00 O ATOM 179 OE2 GLU A 12 10.965 -12.327 -11.194 1.00 0.00 O ATOM 0 H GLU A 12 7.653 -9.076 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 12 6.157 -10.739 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.541 -12.280 -11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.602 -10.954 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.868 -13.017 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.250 -13.595 -11.509 1.00 0.00 H new ATOM 186 N SER A 13 7.180 -11.536 -7.161 1.00 0.00 N ATOM 187 CA SER A 13 6.893 -12.326 -5.975 1.00 0.00 C ATOM 188 C SER A 13 5.829 -11.641 -5.119 1.00 0.00 C ATOM 189 O SER A 13 5.626 -10.431 -5.223 1.00 0.00 O ATOM 190 CB SER A 13 8.150 -12.613 -5.163 1.00 0.00 C ATOM 191 OG SER A 13 8.670 -13.901 -5.452 1.00 0.00 O ATOM 0 H SER A 13 7.295 -10.539 -6.980 1.00 0.00 H new ATOM 0 HA SER A 13 6.503 -13.288 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.905 -11.857 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.922 -12.541 -4.099 1.00 0.00 H new ATOM 0 HG SER A 13 9.477 -14.056 -4.917 1.00 0.00 H new ATOM 197 N ALA A 14 5.018 -12.458 -4.453 1.00 0.00 N ATOM 198 CA ALA A 14 3.724 -12.014 -3.939 1.00 0.00 C ATOM 199 C ALA A 14 3.855 -11.395 -2.547 1.00 0.00 C ATOM 200 O ALA A 14 2.859 -10.946 -1.971 1.00 0.00 O ATOM 201 CB ALA A 14 2.754 -13.190 -3.910 1.00 0.00 C ATOM 0 H ALA A 14 5.234 -13.435 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 14 3.338 -11.242 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.790 -12.857 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.627 -13.582 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.151 -13.973 -3.264 1.00 0.00 H new ATOM 207 N GLU A 15 4.994 -11.667 -1.920 1.00 0.00 N ATOM 208 CA GLU A 15 5.214 -11.321 -0.526 1.00 0.00 C ATOM 209 C GLU A 15 5.301 -9.799 -0.369 1.00 0.00 C ATOM 210 O GLU A 15 6.384 -9.227 -0.499 1.00 0.00 O ATOM 211 CB GLU A 15 6.498 -12.000 -0.065 1.00 0.00 C ATOM 212 CG GLU A 15 6.645 -13.450 -0.442 1.00 0.00 C ATOM 213 CD GLU A 15 7.234 -13.765 -1.791 1.00 0.00 C ATOM 214 OE1 GLU A 15 6.589 -13.776 -2.825 1.00 0.00 O ATOM 215 OE2 GLU A 15 8.394 -14.221 -1.696 1.00 0.00 O ATOM 0 H GLU A 15 5.786 -12.132 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 15 4.383 -11.665 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.345 -11.450 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.560 -11.918 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.263 -13.933 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.659 -13.912 -0.390 1.00 0.00 H new ATOM 222 N LEU A 16 4.259 -9.246 0.247 1.00 0.00 N ATOM 223 CA LEU A 16 4.233 -7.834 0.596 1.00 0.00 C ATOM 224 C LEU A 16 3.873 -7.655 2.068 1.00 0.00 C ATOM 225 O LEU A 16 3.610 -8.628 2.774 1.00 0.00 O ATOM 226 CB LEU A 16 3.268 -7.125 -0.368 1.00 0.00 C ATOM 227 CG LEU A 16 3.287 -7.578 -1.818 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.350 -6.735 -2.669 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.715 -7.468 -2.343 1.00 0.00 C ATOM 0 H LEU A 16 3.419 -9.760 0.514 1.00 0.00 H new ATOM 0 HA LEU A 16 5.217 -7.378 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.255 -7.251 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.488 -6.058 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 16 2.943 -8.611 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.385 -7.082 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.332 -6.827 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.660 -5.691 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.746 -7.790 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.050 -6.433 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.371 -8.102 -1.747 1.00 0.00 H new ATOM 241 N ILE A 17 4.043 -6.429 2.548 1.00 0.00 N ATOM 242 CA ILE A 17 3.909 -6.128 3.966 1.00 0.00 C ATOM 243 C ILE A 17 3.509 -4.668 4.165 1.00 0.00 C ATOM 244 O ILE A 17 3.734 -3.830 3.293 1.00 0.00 O ATOM 245 CB ILE A 17 5.246 -6.474 4.726 1.00 0.00 C ATOM 246 CG1 ILE A 17 6.446 -5.896 3.931 1.00 0.00 C ATOM 247 CG2 ILE A 17 5.401 -7.985 5.000 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.825 -6.128 4.594 1.00 0.00 C ATOM 0 H ILE A 17 4.276 -5.622 1.970 1.00 0.00 H new ATOM 0 HA ILE A 17 3.117 -6.747 4.388 1.00 0.00 H new ATOM 0 HB ILE A 17 5.215 -6.008 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.455 -6.342 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.296 -4.825 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.339 -8.165 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.569 -8.331 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.404 -8.528 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.606 -5.692 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.840 -5.658 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.002 -7.198 4.701 1.00 0.00 H new ATOM 260 N TYR A 18 2.782 -4.420 5.249 1.00 0.00 N ATOM 261 CA TYR A 18 2.115 -3.142 5.454 1.00 0.00 C ATOM 262 C TYR A 18 2.855 -2.321 6.508 1.00 0.00 C ATOM 263 O TYR A 18 3.691 -2.846 7.241 1.00 0.00 O ATOM 264 CB TYR A 18 0.638 -3.344 5.853 1.00 0.00 C ATOM 265 CG TYR A 18 -0.248 -2.151 5.579 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.245 -1.056 6.443 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.162 -2.150 4.521 1.00 0.00 C ATOM 268 CE1 TYR A 18 -1.076 0.038 6.228 1.00 0.00 C ATOM 269 CE2 TYR A 18 -1.999 -1.061 4.290 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.979 0.017 5.173 1.00 0.00 C ATOM 271 OH TYR A 18 -2.819 1.085 5.026 1.00 0.00 O ATOM 0 H TYR A 18 2.640 -5.092 6.003 1.00 0.00 H new ATOM 0 HA TYR A 18 2.132 -2.593 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.243 -4.206 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.590 -3.581 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.416 -1.058 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.220 -3.010 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.020 0.899 6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.658 -1.052 3.434 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.398 0.941 4.248 1.00 0.00 H new ATOM 281 N ASP A 19 2.673 -1.006 6.433 1.00 0.00 N ATOM 282 CA ASP A 19 3.430 -0.073 7.247 1.00 0.00 C ATOM 283 C ASP A 19 2.507 1.066 7.731 1.00 0.00 C ATOM 284 O ASP A 19 2.434 2.143 7.123 1.00 0.00 O ATOM 285 CB ASP A 19 4.685 0.422 6.541 1.00 0.00 C ATOM 286 CG ASP A 19 5.959 0.171 7.329 1.00 0.00 C ATOM 287 OD1 ASP A 19 6.483 -0.952 7.345 1.00 0.00 O ATOM 288 OD2 ASP A 19 6.418 1.146 7.962 1.00 0.00 O ATOM 0 H ASP A 19 1.999 -0.563 5.808 1.00 0.00 H new ATOM 0 HA ASP A 19 3.797 -0.595 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.764 -0.068 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.589 1.491 6.351 1.00 0.00 H new ATOM 293 N PRO A 20 1.705 0.751 8.768 1.00 0.00 N ATOM 294 CA PRO A 20 0.617 1.646 9.237 1.00 0.00 C ATOM 295 C PRO A 20 1.110 3.015 9.701 1.00 0.00 C ATOM 296 O PRO A 20 0.311 3.899 10.006 1.00 0.00 O ATOM 297 CB PRO A 20 -0.130 0.887 10.327 1.00 0.00 C ATOM 298 CG PRO A 20 0.381 -0.524 10.364 1.00 0.00 C ATOM 299 CD PRO A 20 1.669 -0.517 9.553 1.00 0.00 C ATOM 0 HA PRO A 20 -0.049 1.887 8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.019 1.369 11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.202 0.896 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.565 -0.847 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.346 -1.215 9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.535 -0.584 10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.707 -1.380 8.888 1.00 0.00 H new ATOM 307 N GLU A 21 2.405 3.070 10.001 1.00 0.00 N ATOM 308 CA GLU A 21 3.023 4.284 10.516 1.00 0.00 C ATOM 309 C GLU A 21 3.269 5.272 9.374 1.00 0.00 C ATOM 310 O GLU A 21 2.864 6.431 9.454 1.00 0.00 O ATOM 311 CB GLU A 21 4.322 3.894 11.208 1.00 0.00 C ATOM 312 CG GLU A 21 4.182 2.989 12.404 1.00 0.00 C ATOM 313 CD GLU A 21 4.526 1.537 12.223 1.00 0.00 C ATOM 314 OE1 GLU A 21 3.889 0.769 11.524 1.00 0.00 O ATOM 315 OE2 GLU A 21 5.632 1.252 12.733 1.00 0.00 O ATOM 0 H GLU A 21 3.047 2.284 9.895 1.00 0.00 H new ATOM 0 HA GLU A 21 2.368 4.778 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.967 3.404 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.831 4.805 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.811 3.386 13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.151 3.049 12.752 1.00 0.00 H new ATOM 322 N ARG A 22 3.672 4.719 8.234 1.00 0.00 N ATOM 323 CA ARG A 22 3.845 5.497 7.019 1.00 0.00 C ATOM 324 C ARG A 22 2.523 5.606 6.263 1.00 0.00 C ATOM 325 O ARG A 22 2.315 6.543 5.494 1.00 0.00 O ATOM 326 CB ARG A 22 4.917 4.892 6.101 1.00 0.00 C ATOM 327 CG ARG A 22 6.349 5.113 6.565 1.00 0.00 C ATOM 328 CD ARG A 22 7.130 5.912 5.579 1.00 0.00 C ATOM 329 NE ARG A 22 7.031 7.343 5.829 1.00 0.00 N ATOM 330 CZ ARG A 22 7.855 8.240 5.283 1.00 0.00 C ATOM 331 NH1 ARG A 22 8.949 7.870 4.625 1.00 0.00 N ATOM 332 NH2 ARG A 22 7.602 9.539 5.447 1.00 0.00 N ATOM 0 H ARG A 22 3.885 3.727 8.130 1.00 0.00 H new ATOM 0 HA ARG A 22 4.177 6.491 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.739 3.820 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.803 5.316 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.345 5.625 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.835 4.149 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.177 5.610 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.772 5.695 4.573 1.00 0.00 H new ATOM 0 HE ARG A 22 6.296 7.677 6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.175 6.880 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.562 8.576 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.787 9.836 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.223 10.235 5.035 1.00 0.00 H new ATOM 346 N GLY A 23 1.725 4.548 6.357 1.00 0.00 N ATOM 347 CA GLY A 23 0.567 4.374 5.490 1.00 0.00 C ATOM 348 C GLY A 23 0.995 3.804 4.141 1.00 0.00 C ATOM 349 O GLY A 23 0.794 4.432 3.102 1.00 0.00 O ATOM 0 H GLY A 23 1.861 3.794 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.152 3.706 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.066 5.331 5.345 1.00 0.00 H new ATOM 353 N GLU A 24 1.725 2.696 4.197 1.00 0.00 N ATOM 354 CA GLU A 24 2.413 2.167 3.024 1.00 0.00 C ATOM 355 C GLU A 24 2.327 0.640 3.013 1.00 0.00 C ATOM 356 O GLU A 24 2.547 -0.005 4.037 1.00 0.00 O ATOM 357 CB GLU A 24 3.859 2.645 3.074 1.00 0.00 C ATOM 358 CG GLU A 24 4.506 2.922 1.744 1.00 0.00 C ATOM 359 CD GLU A 24 4.225 4.248 1.093 1.00 0.00 C ATOM 360 OE1 GLU A 24 4.156 5.301 1.701 1.00 0.00 O ATOM 361 OE2 GLU A 24 3.904 4.120 -0.108 1.00 0.00 O ATOM 0 H GLU A 24 1.856 2.145 5.045 1.00 0.00 H new ATOM 0 HA GLU A 24 1.947 2.524 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.900 3.555 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.452 1.893 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.585 2.832 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.200 2.137 1.052 1.00 0.00 H new ATOM 368 N ILE A 25 2.224 0.087 1.810 1.00 0.00 N ATOM 369 CA ILE A 25 2.428 -1.339 1.593 1.00 0.00 C ATOM 370 C ILE A 25 3.658 -1.561 0.713 1.00 0.00 C ATOM 371 O ILE A 25 3.940 -0.758 -0.176 1.00 0.00 O ATOM 372 CB ILE A 25 1.142 -1.996 0.968 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.122 -1.425 1.661 1.00 0.00 C ATOM 374 CG2 ILE A 25 1.181 -3.540 1.013 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.653 -0.112 1.035 1.00 0.00 C ATOM 0 H ILE A 25 1.998 0.610 0.964 1.00 0.00 H new ATOM 0 HA ILE A 25 2.606 -1.824 2.553 1.00 0.00 H new ATOM 0 HB ILE A 25 1.109 -1.737 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.912 -2.176 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.103 -1.247 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.269 -3.940 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.045 -3.899 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.256 -3.872 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.538 0.219 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.118 0.657 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.913 -0.286 -0.009 1.00 0.00 H new ATOM 387 N VAL A 26 4.463 -2.546 1.099 1.00 0.00 N ATOM 388 CA VAL A 26 5.778 -2.736 0.502 1.00 0.00 C ATOM 389 C VAL A 26 5.964 -4.199 0.092 1.00 0.00 C ATOM 390 O VAL A 26 5.263 -5.079 0.591 1.00 0.00 O ATOM 391 CB VAL A 26 6.888 -2.224 1.440 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.231 -2.077 0.732 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.497 -0.928 2.130 1.00 0.00 C ATOM 0 H VAL A 26 4.227 -3.225 1.823 1.00 0.00 H new ATOM 0 HA VAL A 26 5.852 -2.139 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 26 7.009 -2.989 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.977 -1.713 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.544 -3.045 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.133 -1.367 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.308 -0.603 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.304 -0.160 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.597 -1.089 2.724 1.00 0.00 H new ATOM 403 N CYS A 27 7.124 -4.451 -0.510 1.00 0.00 N ATOM 404 CA CYS A 27 7.537 -5.811 -0.847 1.00 0.00 C ATOM 405 C CYS A 27 8.553 -6.306 0.181 1.00 0.00 C ATOM 406 O CYS A 27 9.557 -5.647 0.439 1.00 0.00 O ATOM 407 CB CYS A 27 8.069 -5.872 -2.270 1.00 0.00 C ATOM 408 SG CYS A 27 8.395 -7.526 -2.923 1.00 0.00 S ATOM 0 H CYS A 27 7.795 -3.730 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 27 6.676 -6.478 -0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.352 -5.378 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.993 -5.296 -2.316 1.00 0.00 H new ATOM 413 N ALA A 28 8.387 -7.567 0.569 1.00 0.00 N ATOM 414 CA ALA A 28 9.316 -8.222 1.476 1.00 0.00 C ATOM 415 C ALA A 28 10.341 -9.042 0.693 1.00 0.00 C ATOM 416 O ALA A 28 10.913 -9.996 1.220 1.00 0.00 O ATOM 417 CB ALA A 28 8.555 -9.107 2.462 1.00 0.00 C ATOM 0 H ALA A 28 7.612 -8.156 0.266 1.00 0.00 H new ATOM 0 HA ALA A 28 9.851 -7.458 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.261 -9.592 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.863 -8.495 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.997 -9.866 1.914 1.00 0.00 H new ATOM 423 N LYS A 29 10.420 -8.774 -0.607 1.00 0.00 N ATOM 424 CA LYS A 29 11.032 -9.708 -1.548 1.00 0.00 C ATOM 425 C LYS A 29 11.979 -8.966 -2.488 1.00 0.00 C ATOM 426 O LYS A 29 13.044 -9.480 -2.834 1.00 0.00 O ATOM 427 CB LYS A 29 9.982 -10.452 -2.371 1.00 0.00 C ATOM 428 CG LYS A 29 9.989 -11.968 -2.165 1.00 0.00 C ATOM 429 CD LYS A 29 11.356 -12.591 -2.384 1.00 0.00 C ATOM 430 CE LYS A 29 11.428 -14.036 -2.109 1.00 0.00 C ATOM 431 NZ LYS A 29 11.046 -14.342 -0.707 1.00 0.00 N ATOM 0 H LYS A 29 10.068 -7.917 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 29 11.589 -10.440 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.995 -10.066 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.145 -10.238 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.651 -12.193 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.274 -12.425 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.658 -12.417 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.079 -12.078 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.768 -14.571 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.440 -14.394 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.461 -15.253 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.399 -13.592 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.010 -14.396 -0.633 1.00 0.00 H new ATOM 445 N CYS A 30 11.712 -7.670 -2.657 1.00 0.00 N ATOM 446 CA CYS A 30 12.698 -6.736 -3.173 1.00 0.00 C ATOM 447 C CYS A 30 12.813 -5.492 -2.303 1.00 0.00 C ATOM 448 O CYS A 30 13.612 -4.597 -2.597 1.00 0.00 O ATOM 449 CB CYS A 30 12.470 -6.409 -4.641 1.00 0.00 C ATOM 450 SG CYS A 30 10.906 -5.602 -5.039 1.00 0.00 S ATOM 0 H CYS A 30 10.810 -7.246 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 30 13.665 -7.236 -3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.283 -5.768 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.534 -7.335 -5.213 1.00 0.00 H new ATOM 455 N GLY A 31 11.793 -5.299 -1.460 1.00 0.00 N ATOM 456 CA GLY A 31 11.769 -4.154 -0.559 1.00 0.00 C ATOM 457 C GLY A 31 10.871 -3.041 -1.094 1.00 0.00 C ATOM 458 O GLY A 31 10.850 -1.940 -0.532 1.00 0.00 O ATOM 0 H GLY A 31 10.984 -5.916 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.415 -4.469 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.782 -3.773 -0.425 1.00 0.00 H new ATOM 462 N TYR A 32 10.473 -3.212 -2.356 1.00 0.00 N ATOM 463 CA TYR A 32 9.800 -2.160 -3.103 1.00 0.00 C ATOM 464 C TYR A 32 8.426 -1.879 -2.489 1.00 0.00 C ATOM 465 O TYR A 32 7.580 -2.777 -2.446 1.00 0.00 O ATOM 466 CB TYR A 32 9.677 -2.518 -4.595 1.00 0.00 C ATOM 467 CG TYR A 32 8.902 -1.519 -5.424 1.00 0.00 C ATOM 468 CD1 TYR A 32 9.303 -0.185 -5.479 1.00 0.00 C ATOM 469 CD2 TYR A 32 7.806 -1.908 -6.198 1.00 0.00 C ATOM 470 CE1 TYR A 32 8.633 0.741 -6.271 1.00 0.00 C ATOM 471 CE2 TYR A 32 7.116 -0.991 -6.989 1.00 0.00 C ATOM 472 CZ TYR A 32 7.553 0.331 -7.041 1.00 0.00 C ATOM 473 OH TYR A 32 6.945 1.259 -7.840 1.00 0.00 O ATOM 0 H TYR A 32 10.608 -4.076 -2.880 1.00 0.00 H new ATOM 0 HA TYR A 32 10.404 -1.255 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.678 -2.618 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.196 -3.492 -4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.152 0.136 -4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.487 -2.940 -6.183 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.951 1.773 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.251 -1.302 -7.556 1.00 0.00 H new ATOM 0 HH TYR A 32 6.205 0.838 -8.325 1.00 0.00 H new ATOM 483 N VAL A 33 8.111 -0.587 -2.398 1.00 0.00 N ATOM 484 CA VAL A 33 6.774 -0.143 -2.045 1.00 0.00 C ATOM 485 C VAL A 33 5.759 -0.642 -3.077 1.00 0.00 C ATOM 486 O VAL A 33 6.098 -0.820 -4.247 1.00 0.00 O ATOM 487 CB VAL A 33 6.727 1.383 -1.841 1.00 0.00 C ATOM 488 CG1 VAL A 33 5.321 1.888 -1.528 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.711 1.840 -0.776 1.00 0.00 C ATOM 0 H VAL A 33 8.773 0.171 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 33 6.497 -0.582 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 33 7.026 1.825 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.344 2.969 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.653 1.639 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.960 1.416 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.647 2.922 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.469 1.360 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.723 1.566 -1.074 1.00 0.00 H new ATOM 499 N ILE A 34 4.491 -0.511 -2.704 1.00 0.00 N ATOM 500 CA ILE A 34 3.385 -0.818 -3.603 1.00 0.00 C ATOM 501 C ILE A 34 2.530 0.430 -3.809 1.00 0.00 C ATOM 502 O ILE A 34 2.508 1.009 -4.892 1.00 0.00 O ATOM 503 CB ILE A 34 2.553 -2.021 -3.012 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.447 -3.290 -3.012 1.00 0.00 C ATOM 505 CG2 ILE A 34 1.207 -2.250 -3.723 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.584 -3.978 -4.391 1.00 0.00 C ATOM 0 H ILE A 34 4.202 -0.192 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 34 3.760 -1.121 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 34 2.273 -1.772 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.441 -3.019 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.037 -4.008 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.691 -3.093 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.591 -1.355 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.384 -2.465 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.225 -4.855 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.599 -4.284 -4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.024 -3.280 -5.103 1.00 0.00 H new ATOM 518 N GLU A 35 1.758 0.763 -2.780 1.00 0.00 N ATOM 519 CA GLU A 35 0.758 1.819 -2.880 1.00 0.00 C ATOM 520 C GLU A 35 0.927 2.811 -1.731 1.00 0.00 C ATOM 521 O GLU A 35 1.878 2.728 -0.958 1.00 0.00 O ATOM 522 CB GLU A 35 -0.616 1.164 -2.861 1.00 0.00 C ATOM 523 CG GLU A 35 -1.707 1.905 -3.587 1.00 0.00 C ATOM 524 CD GLU A 35 -2.965 2.220 -2.825 1.00 0.00 C ATOM 525 OE1 GLU A 35 -3.509 1.440 -2.063 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.274 3.428 -2.915 1.00 0.00 O ATOM 0 H GLU A 35 1.806 0.315 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 35 0.876 2.381 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.529 0.168 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.921 1.033 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.290 2.845 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.984 1.320 -4.464 1.00 0.00 H new ATOM 533 N GLU A 36 -0.099 3.638 -1.542 1.00 0.00 N ATOM 534 CA GLU A 36 -0.017 4.738 -0.587 1.00 0.00 C ATOM 535 C GLU A 36 -1.031 4.529 0.539 1.00 0.00 C ATOM 536 O GLU A 36 -1.507 3.416 0.752 1.00 0.00 O ATOM 537 CB GLU A 36 -0.277 6.034 -1.343 1.00 0.00 C ATOM 538 CG GLU A 36 0.583 7.207 -0.951 1.00 0.00 C ATOM 539 CD GLU A 36 2.074 7.020 -0.980 1.00 0.00 C ATOM 540 OE1 GLU A 36 2.525 6.691 0.139 1.00 0.00 O ATOM 541 OE2 GLU A 36 2.778 7.315 -1.930 1.00 0.00 O ATOM 0 H GLU A 36 -0.990 3.568 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 36 0.970 4.782 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.138 5.845 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.322 6.311 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.336 8.039 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.302 7.506 0.059 1.00 0.00 H new ATOM 548 N ASN A 37 -1.182 5.559 1.364 1.00 0.00 N ATOM 549 CA ASN A 37 -1.860 5.426 2.649 1.00 0.00 C ATOM 550 C ASN A 37 -3.327 5.081 2.445 1.00 0.00 C ATOM 551 O ASN A 37 -4.141 5.931 2.085 1.00 0.00 O ATOM 552 CB ASN A 37 -1.616 6.644 3.538 1.00 0.00 C ATOM 553 CG ASN A 37 -2.297 7.901 3.031 1.00 0.00 C ATOM 554 OD1 ASN A 37 -3.481 8.137 3.310 1.00 0.00 O ATOM 555 ND2 ASN A 37 -1.573 8.681 2.228 1.00 0.00 N ATOM 0 H ASN A 37 -0.842 6.500 1.165 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.429 4.588 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.971 6.427 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.543 6.824 3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.991 9.514 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.601 8.445 2.028 1.00 0.00 H new ATOM 562 N ILE A 38 -3.644 3.796 2.569 1.00 0.00 N ATOM 563 CA ILE A 38 -5.017 3.335 2.658 1.00 0.00 C ATOM 564 C ILE A 38 -5.855 3.806 1.478 1.00 0.00 C ATOM 565 O ILE A 38 -6.448 4.882 1.507 1.00 0.00 O ATOM 566 CB ILE A 38 -5.658 3.716 4.042 1.00 0.00 C ATOM 567 CG1 ILE A 38 -7.087 3.112 4.123 1.00 0.00 C ATOM 568 CG2 ILE A 38 -5.652 5.230 4.332 1.00 0.00 C ATOM 569 CD1 ILE A 38 -7.125 1.623 4.541 1.00 0.00 C ATOM 0 H ILE A 38 -2.952 3.048 2.610 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.002 2.246 2.603 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.035 3.286 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.674 3.692 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.569 3.217 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.110 5.416 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.625 5.595 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.217 5.751 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.159 1.280 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.568 1.028 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.675 1.510 5.527 1.00 0.00 H new ATOM 581 N ILE A 39 -5.947 2.950 0.463 1.00 0.00 N ATOM 582 CA ILE A 39 -6.878 3.155 -0.636 1.00 0.00 C ATOM 583 C ILE A 39 -8.299 2.803 -0.201 1.00 0.00 C ATOM 584 O ILE A 39 -8.626 1.631 -0.016 1.00 0.00 O ATOM 585 CB ILE A 39 -6.430 2.319 -1.894 1.00 0.00 C ATOM 586 CG1 ILE A 39 -7.301 2.727 -3.111 1.00 0.00 C ATOM 587 CG2 ILE A 39 -6.462 0.797 -1.640 1.00 0.00 C ATOM 588 CD1 ILE A 39 -6.494 3.121 -4.372 1.00 0.00 C ATOM 0 H ILE A 39 -5.383 2.104 0.382 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.871 4.208 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.387 2.551 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.963 1.898 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.935 3.566 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.144 0.271 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.789 0.551 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.476 0.493 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.181 3.392 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.852 3.971 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.880 2.278 -4.689 1.00 0.00 H new ATOM 600 N ASP A 40 -9.164 3.810 -0.213 1.00 0.00 N ATOM 601 CA ASP A 40 -10.593 3.604 -0.031 1.00 0.00 C ATOM 602 C ASP A 40 -11.329 3.782 -1.357 1.00 0.00 C ATOM 603 O ASP A 40 -11.604 2.811 -2.059 1.00 0.00 O ATOM 604 CB ASP A 40 -11.146 4.457 1.109 1.00 0.00 C ATOM 605 CG ASP A 40 -10.508 5.830 1.194 1.00 0.00 C ATOM 606 OD1 ASP A 40 -9.342 5.873 1.647 1.00 0.00 O ATOM 607 OD2 ASP A 40 -11.131 6.843 0.844 1.00 0.00 O ATOM 0 H ASP A 40 -8.896 4.785 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.767 2.574 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.222 4.571 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.993 3.934 2.053 1.00 0.00 H new ATOM 612 N MET A 41 -11.499 5.040 -1.748 1.00 0.00 N ATOM 613 CA MET A 41 -11.982 5.375 -3.080 1.00 0.00 C ATOM 614 C MET A 41 -11.978 6.889 -3.281 1.00 0.00 C ATOM 615 O MET A 41 -12.910 7.579 -2.873 1.00 0.00 O ATOM 616 CB MET A 41 -13.363 4.773 -3.331 1.00 0.00 C ATOM 617 CG MET A 41 -13.289 3.667 -4.352 1.00 0.00 C ATOM 618 SD MET A 41 -14.897 2.795 -4.331 1.00 0.00 S ATOM 619 CE MET A 41 -14.378 1.202 -3.677 1.00 0.00 C ATOM 0 H MET A 41 -11.308 5.848 -1.156 1.00 0.00 H new ATOM 0 HA MET A 41 -11.305 4.939 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.770 4.385 -2.397 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.045 5.549 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.085 4.072 -5.343 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.477 2.980 -4.115 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.242 0.542 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 41 -13.641 0.757 -4.346 1.00 0.00 H new ATOM 0 HE3 MET A 41 -13.936 1.340 -2.690 1.00 0.00 H new ATOM 629 N GLY A 42 -10.835 7.398 -3.728 1.00 0.00 N ATOM 630 CA GLY A 42 -10.613 8.827 -3.835 1.00 0.00 C ATOM 631 C GLY A 42 -9.425 9.105 -4.779 1.00 0.00 C ATOM 632 O GLY A 42 -9.028 8.256 -5.589 1.00 0.00 O ATOM 0 H GLY A 42 -10.041 6.830 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.511 9.316 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.412 9.247 -2.850 1.00 0.00 H new ATOM 636 N PRO A 43 -8.878 10.331 -4.666 1.00 0.00 N ATOM 637 CA PRO A 43 -7.639 10.718 -5.389 1.00 0.00 C ATOM 638 C PRO A 43 -6.463 9.781 -5.126 1.00 0.00 C ATOM 639 O PRO A 43 -6.644 8.668 -4.634 1.00 0.00 O ATOM 640 CB PRO A 43 -7.344 12.162 -5.004 1.00 0.00 C ATOM 641 CG PRO A 43 -8.416 12.644 -4.073 1.00 0.00 C ATOM 642 CD PRO A 43 -9.228 11.412 -3.699 1.00 0.00 C ATOM 0 HA PRO A 43 -7.793 10.631 -6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.368 12.232 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.307 12.790 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.984 13.111 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.043 13.394 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.004 11.101 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.295 11.630 -3.738 1.00 0.00 H new ATOM 650 N GLU A 44 -5.260 10.311 -5.313 1.00 0.00 N ATOM 651 CA GLU A 44 -4.043 9.637 -4.875 1.00 0.00 C ATOM 652 C GLU A 44 -3.310 10.495 -3.846 1.00 0.00 C ATOM 653 O GLU A 44 -3.493 10.324 -2.641 1.00 0.00 O ATOM 654 CB GLU A 44 -3.183 9.377 -6.105 1.00 0.00 C ATOM 655 CG GLU A 44 -2.959 7.930 -6.455 1.00 0.00 C ATOM 656 CD GLU A 44 -2.038 7.624 -7.604 1.00 0.00 C ATOM 657 OE1 GLU A 44 -0.835 7.819 -7.581 1.00 0.00 O ATOM 658 OE2 GLU A 44 -2.617 6.983 -8.508 1.00 0.00 O ATOM 0 H GLU A 44 -5.101 11.210 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.277 8.688 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.646 9.870 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.212 9.849 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.570 7.427 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.929 7.484 -6.674 1.00 0.00 H new ATOM 665 N TRP A 45 -2.698 11.567 -4.343 1.00 0.00 N ATOM 666 CA TRP A 45 -1.927 12.466 -3.495 1.00 0.00 C ATOM 667 C TRP A 45 -2.262 13.919 -3.818 1.00 0.00 C ATOM 668 O TRP A 45 -3.179 14.197 -4.588 1.00 0.00 O ATOM 669 CB TRP A 45 -0.429 12.176 -3.594 1.00 0.00 C ATOM 670 CG TRP A 45 0.197 11.675 -2.341 1.00 0.00 C ATOM 671 CD1 TRP A 45 -0.079 10.511 -1.678 1.00 0.00 C ATOM 672 CD2 TRP A 45 1.140 12.384 -1.517 1.00 0.00 C ATOM 673 NE1 TRP A 45 0.647 10.439 -0.513 1.00 0.00 N ATOM 674 CE2 TRP A 45 1.403 11.570 -0.393 1.00 0.00 C ATOM 675 CE3 TRP A 45 1.780 13.612 -1.640 1.00 0.00 C ATOM 676 CZ2 TRP A 45 2.287 11.953 0.606 1.00 0.00 C ATOM 677 CZ3 TRP A 45 2.663 13.990 -0.650 1.00 0.00 C ATOM 678 CH2 TRP A 45 2.912 13.181 0.456 1.00 0.00 C ATOM 0 H TRP A 45 -2.722 11.832 -5.328 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.206 12.290 -2.456 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.268 11.441 -4.382 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.083 13.088 -3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -0.770 9.755 -2.021 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.625 9.667 0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.591 14.253 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.479 11.323 1.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.174 14.938 -0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.606 13.517 1.212 1.00 0.00 H new ATOM 689 N ARG A 46 -1.606 14.828 -3.104 1.00 0.00 N ATOM 690 CA ARG A 46 -2.001 16.231 -3.091 1.00 0.00 C ATOM 691 C ARG A 46 -3.377 16.386 -2.451 1.00 0.00 C ATOM 692 O ARG A 46 -3.488 16.702 -1.266 1.00 0.00 O ATOM 693 CB ARG A 46 -2.011 16.832 -4.501 1.00 0.00 C ATOM 694 CG ARG A 46 -2.092 18.351 -4.544 1.00 0.00 C ATOM 695 CD ARG A 46 -0.748 18.968 -4.732 1.00 0.00 C ATOM 696 NE ARG A 46 -0.835 20.379 -5.078 1.00 0.00 N ATOM 697 CZ ARG A 46 -0.584 20.850 -6.301 1.00 0.00 C ATOM 698 NH1 ARG A 46 -0.429 20.036 -7.340 1.00 0.00 N ATOM 699 NH2 ARG A 46 -0.542 22.168 -6.496 1.00 0.00 N ATOM 0 H ARG A 46 -0.794 14.616 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.263 16.774 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.108 16.515 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.858 16.421 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.751 18.658 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.535 18.718 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.167 18.855 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.212 18.435 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.101 21.041 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.501 19.027 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.238 20.421 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.701 22.804 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.351 22.540 -7.426 1.00 0.00 H new ATOM 713 N ALA A 47 -4.407 16.028 -3.209 1.00 0.00 N ATOM 714 CA ALA A 47 -5.739 15.815 -2.649 1.00 0.00 C ATOM 715 C ALA A 47 -6.256 17.101 -2.010 1.00 0.00 C ATOM 716 O ALA A 47 -5.563 18.117 -1.997 1.00 0.00 O ATOM 717 CB ALA A 47 -5.708 14.673 -1.638 1.00 0.00 C ATOM 0 H ALA A 47 -4.346 15.878 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.422 15.539 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.707 14.523 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.378 13.759 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.017 14.920 -0.832 1.00 0.00 H new ATOM 723 N PHE A 48 -7.385 16.980 -1.321 1.00 0.00 N ATOM 724 CA PHE A 48 -7.851 18.019 -0.411 1.00 0.00 C ATOM 725 C PHE A 48 -9.049 17.519 0.393 1.00 0.00 C ATOM 726 O PHE A 48 -10.147 17.375 -0.145 1.00 0.00 O ATOM 727 CB PHE A 48 -8.236 19.341 -1.120 1.00 0.00 C ATOM 728 CG PHE A 48 -9.316 19.148 -2.145 1.00 0.00 C ATOM 729 CD1 PHE A 48 -8.990 18.416 -3.289 1.00 0.00 C ATOM 730 CD2 PHE A 48 -10.614 19.635 -1.991 1.00 0.00 C ATOM 731 CE1 PHE A 48 -9.922 18.210 -4.294 1.00 0.00 C ATOM 732 CE2 PHE A 48 -11.571 19.440 -2.992 1.00 0.00 C ATOM 733 CZ PHE A 48 -11.204 18.752 -4.161 1.00 0.00 C ATOM 0 H PHE A 48 -7.998 16.167 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.009 18.239 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.570 20.065 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.353 19.762 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.997 18.004 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -10.882 20.167 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.661 17.637 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.577 19.813 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.918 18.641 -4.963 1.00 0.00 H new ATOM 743 N ASP A 49 -8.768 17.064 1.610 1.00 0.00 N ATOM 744 CA ASP A 49 -9.742 16.328 2.404 1.00 0.00 C ATOM 745 C ASP A 49 -9.741 16.831 3.845 1.00 0.00 C ATOM 746 O ASP A 49 -8.718 16.780 4.528 1.00 0.00 O ATOM 747 CB ASP A 49 -9.553 14.819 2.269 1.00 0.00 C ATOM 748 CG ASP A 49 -10.495 14.183 1.265 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.287 14.457 0.062 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.402 13.426 1.637 1.00 0.00 O ATOM 0 H ASP A 49 -7.867 17.194 2.069 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.741 16.521 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.524 14.614 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.703 14.353 3.243 1.00 0.00 H new ATOM 755 N ALA A 50 -10.945 17.073 4.355 1.00 0.00 N ATOM 756 CA ALA A 50 -11.124 17.493 5.737 1.00 0.00 C ATOM 757 C ALA A 50 -12.611 17.592 6.072 1.00 0.00 C ATOM 758 O ALA A 50 -13.238 18.618 5.765 1.00 0.00 O ATOM 759 CB ALA A 50 -10.419 18.824 5.983 1.00 0.00 C ATOM 760 OXT ALA A 50 -13.224 16.577 6.431 1.00 0.00 O ATOM 0 H ALA A 50 -11.813 16.984 3.827 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.676 16.746 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.562 19.125 7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.354 18.714 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.837 19.585 5.324 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.241 -7.236 -5.097 1.00 0.00 ZN