USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 484 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.474 USER MOD Single : A 6 SER OG : rot 21:sc= 0.0725! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -1.05 K(o=-1,f=-5.6!) USER MOD Single : A 27 TYR OH : rot -140:sc= -1.35 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.31) USER MOD Single : A 40 MET CE :methyl -170:sc= -0.266 (180deg=-0.476) USER MOD Single : A 47 MET CE :methyl 136:sc= -0.48 (180deg=-2.47!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.6!) USER MOD Single : A 65 THR OG1 : rot 53:sc= 0.0888 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.162 14.587 16.177 1.00 0.00 N ATOM 2 CA GLY A 1 12.639 15.871 16.605 1.00 0.00 C ATOM 3 C GLY A 1 11.150 16.004 16.351 1.00 0.00 C ATOM 4 O GLY A 1 10.725 16.233 15.219 1.00 0.00 O ATOM 0 H1 GLY A 1 14.183 14.546 16.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.679 13.825 16.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.999 14.469 15.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.836 16.004 17.669 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.167 16.668 16.081 1.00 0.00 H new ATOM 8 N SER A 2 10.356 15.857 17.407 1.00 0.00 N ATOM 9 CA SER A 2 8.906 15.957 17.293 1.00 0.00 C ATOM 10 C SER A 2 8.342 14.785 16.495 1.00 0.00 C ATOM 11 O SER A 2 9.030 14.201 15.658 1.00 0.00 O ATOM 12 CB SER A 2 8.515 17.277 16.625 1.00 0.00 C ATOM 13 OG SER A 2 7.855 18.135 17.540 1.00 0.00 O ATOM 0 H SER A 2 10.693 15.668 18.351 1.00 0.00 H new ATOM 0 HA SER A 2 8.485 15.927 18.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.406 17.770 16.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.864 17.079 15.773 1.00 0.00 H new ATOM 0 HG SER A 2 7.617 18.972 17.090 1.00 0.00 H new ATOM 19 N SER A 3 7.085 14.446 16.762 1.00 0.00 N ATOM 20 CA SER A 3 6.428 13.341 16.073 1.00 0.00 C ATOM 21 C SER A 3 5.763 13.821 14.787 1.00 0.00 C ATOM 22 O SER A 3 5.354 14.977 14.680 1.00 0.00 O ATOM 23 CB SER A 3 5.389 12.688 16.986 1.00 0.00 C ATOM 24 OG SER A 3 4.448 13.641 17.450 1.00 0.00 O ATOM 0 H SER A 3 6.501 14.921 17.451 1.00 0.00 H new ATOM 0 HA SER A 3 7.188 12.603 15.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.872 11.895 16.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.888 12.222 17.835 1.00 0.00 H new ATOM 0 HG SER A 3 3.794 13.199 18.030 1.00 0.00 H new ATOM 30 N GLY A 4 5.657 12.924 13.811 1.00 0.00 N ATOM 31 CA GLY A 4 5.041 13.274 12.545 1.00 0.00 C ATOM 32 C GLY A 4 6.034 13.858 11.559 1.00 0.00 C ATOM 33 O GLY A 4 7.161 13.378 11.445 1.00 0.00 O ATOM 0 H GLY A 4 5.987 11.961 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.581 12.386 12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.241 13.994 12.720 1.00 0.00 H new ATOM 37 N SER A 5 5.613 14.896 10.843 1.00 0.00 N ATOM 38 CA SER A 5 6.472 15.542 9.857 1.00 0.00 C ATOM 39 C SER A 5 7.382 14.523 9.178 1.00 0.00 C ATOM 40 O SER A 5 8.550 14.381 9.538 1.00 0.00 O ATOM 41 CB SER A 5 7.314 16.633 10.520 1.00 0.00 C ATOM 42 OG SER A 5 8.077 16.107 11.593 1.00 0.00 O ATOM 0 H SER A 5 4.683 15.307 10.927 1.00 0.00 H new ATOM 0 HA SER A 5 5.835 15.996 9.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.979 17.082 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.663 17.426 10.887 1.00 0.00 H new ATOM 0 HG SER A 5 8.490 15.262 11.317 1.00 0.00 H new ATOM 48 N SER A 6 6.837 13.817 8.192 1.00 0.00 N ATOM 49 CA SER A 6 7.597 12.808 7.464 1.00 0.00 C ATOM 50 C SER A 6 6.963 12.526 6.105 1.00 0.00 C ATOM 51 O SER A 6 5.755 12.317 6.003 1.00 0.00 O ATOM 52 CB SER A 6 7.681 11.516 8.279 1.00 0.00 C ATOM 53 OG SER A 6 6.440 10.830 8.276 1.00 0.00 O ATOM 0 H SER A 6 5.872 13.925 7.879 1.00 0.00 H new ATOM 0 HA SER A 6 8.604 13.193 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.457 10.872 7.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.970 11.747 9.304 1.00 0.00 H new ATOM 0 HG SER A 6 5.907 11.122 7.508 1.00 0.00 H new ATOM 59 N GLY A 7 7.789 12.522 5.063 1.00 0.00 N ATOM 60 CA GLY A 7 7.292 12.265 3.724 1.00 0.00 C ATOM 61 C GLY A 7 6.806 10.840 3.549 1.00 0.00 C ATOM 62 O GLY A 7 5.633 10.544 3.775 1.00 0.00 O ATOM 0 H GLY A 7 8.793 12.692 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.476 12.953 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.083 12.467 3.001 1.00 0.00 H new ATOM 66 N CYS A 8 7.710 9.954 3.145 1.00 0.00 N ATOM 67 CA CYS A 8 7.368 8.552 2.937 1.00 0.00 C ATOM 68 C CYS A 8 6.912 7.904 4.242 1.00 0.00 C ATOM 69 O CYS A 8 7.714 7.678 5.148 1.00 0.00 O ATOM 70 CB CYS A 8 8.568 7.791 2.370 1.00 0.00 C ATOM 71 SG CYS A 8 8.268 6.012 2.118 1.00 0.00 S ATOM 0 H CYS A 8 8.686 10.182 2.955 1.00 0.00 H new ATOM 0 HA CYS A 8 6.546 8.507 2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.852 8.239 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.415 7.914 3.045 1.00 0.00 H new ATOM 76 N ASP A 9 5.619 7.610 4.329 1.00 0.00 N ATOM 77 CA ASP A 9 5.056 6.987 5.521 1.00 0.00 C ATOM 78 C ASP A 9 5.326 5.486 5.530 1.00 0.00 C ATOM 79 O ASP A 9 4.428 4.685 5.790 1.00 0.00 O ATOM 80 CB ASP A 9 3.550 7.247 5.595 1.00 0.00 C ATOM 81 CG ASP A 9 3.200 8.341 6.585 1.00 0.00 C ATOM 82 OD1 ASP A 9 3.157 8.052 7.799 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.969 9.487 6.145 1.00 0.00 O ATOM 0 H ASP A 9 4.942 7.793 3.589 1.00 0.00 H new ATOM 0 HA ASP A 9 5.537 7.429 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.183 7.524 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.039 6.327 5.879 1.00 0.00 H new ATOM 88 N SER A 10 6.569 5.112 5.243 1.00 0.00 N ATOM 89 CA SER A 10 6.956 3.706 5.212 1.00 0.00 C ATOM 90 C SER A 10 8.387 3.526 5.712 1.00 0.00 C ATOM 91 O SER A 10 8.657 2.682 6.567 1.00 0.00 O ATOM 92 CB SER A 10 6.826 3.150 3.793 1.00 0.00 C ATOM 93 OG SER A 10 6.887 1.734 3.793 1.00 0.00 O ATOM 0 H SER A 10 7.325 5.762 5.029 1.00 0.00 H new ATOM 0 HA SER A 10 6.286 3.155 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.882 3.477 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.623 3.552 3.167 1.00 0.00 H new ATOM 0 HG SER A 10 6.800 1.403 2.875 1.00 0.00 H new ATOM 99 N CYS A 11 9.300 4.326 5.172 1.00 0.00 N ATOM 100 CA CYS A 11 10.704 4.257 5.561 1.00 0.00 C ATOM 101 C CYS A 11 11.159 5.570 6.191 1.00 0.00 C ATOM 102 O CYS A 11 12.345 5.898 6.176 1.00 0.00 O ATOM 103 CB CYS A 11 11.575 3.932 4.346 1.00 0.00 C ATOM 104 SG CYS A 11 11.622 5.250 3.090 1.00 0.00 S ATOM 0 H CYS A 11 9.093 5.030 4.463 1.00 0.00 H new ATOM 0 HA CYS A 11 10.812 3.463 6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.591 3.731 4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.207 3.017 3.883 1.00 0.00 H new ATOM 109 N GLU A 12 10.208 6.316 6.743 1.00 0.00 N ATOM 110 CA GLU A 12 10.511 7.593 7.378 1.00 0.00 C ATOM 111 C GLU A 12 11.580 8.350 6.594 1.00 0.00 C ATOM 112 O GLU A 12 12.620 8.721 7.138 1.00 0.00 O ATOM 113 CB GLU A 12 10.980 7.374 8.818 1.00 0.00 C ATOM 114 CG GLU A 12 9.925 6.743 9.712 1.00 0.00 C ATOM 115 CD GLU A 12 9.263 7.750 10.633 1.00 0.00 C ATOM 116 OE1 GLU A 12 9.983 8.604 11.193 1.00 0.00 O ATOM 117 OE2 GLU A 12 8.027 7.685 10.794 1.00 0.00 O ATOM 0 H GLU A 12 9.221 6.058 6.763 1.00 0.00 H new ATOM 0 HA GLU A 12 9.599 8.190 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.865 6.738 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.279 8.332 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.165 6.269 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.384 5.956 10.310 1.00 0.00 H new ATOM 124 N LYS A 13 11.315 8.575 5.311 1.00 0.00 N ATOM 125 CA LYS A 13 12.252 9.287 4.450 1.00 0.00 C ATOM 126 C LYS A 13 11.513 10.224 3.500 1.00 0.00 C ATOM 127 O LYS A 13 10.399 9.931 3.065 1.00 0.00 O ATOM 128 CB LYS A 13 13.097 8.294 3.649 1.00 0.00 C ATOM 129 CG LYS A 13 13.917 7.355 4.516 1.00 0.00 C ATOM 130 CD LYS A 13 15.408 7.577 4.323 1.00 0.00 C ATOM 131 CE LYS A 13 16.218 6.915 5.428 1.00 0.00 C ATOM 132 NZ LYS A 13 17.115 5.852 4.897 1.00 0.00 N ATOM 0 H LYS A 13 10.459 8.274 4.845 1.00 0.00 H new ATOM 0 HA LYS A 13 12.908 9.884 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.440 7.704 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.768 8.848 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.658 7.507 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.667 6.322 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.714 7.177 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.619 8.646 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.813 7.669 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.541 6.484 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.649 5.425 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.545 5.120 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.778 6.267 4.212 1.00 0.00 H new ATOM 146 N TYR A 14 12.140 11.351 3.182 1.00 0.00 N ATOM 147 CA TYR A 14 11.541 12.332 2.284 1.00 0.00 C ATOM 148 C TYR A 14 11.577 11.841 0.840 1.00 0.00 C ATOM 149 O TYR A 14 12.449 11.060 0.460 1.00 0.00 O ATOM 150 CB TYR A 14 12.270 13.671 2.398 1.00 0.00 C ATOM 151 CG TYR A 14 11.560 14.809 1.699 1.00 0.00 C ATOM 152 CD1 TYR A 14 10.220 15.076 1.950 1.00 0.00 C ATOM 153 CD2 TYR A 14 12.229 15.615 0.786 1.00 0.00 C ATOM 154 CE1 TYR A 14 9.567 16.114 1.313 1.00 0.00 C ATOM 155 CE2 TYR A 14 11.585 16.655 0.145 1.00 0.00 C ATOM 156 CZ TYR A 14 10.254 16.901 0.412 1.00 0.00 C ATOM 157 OH TYR A 14 9.608 17.935 -0.225 1.00 0.00 O ATOM 0 H TYR A 14 13.063 11.608 3.533 1.00 0.00 H new ATOM 0 HA TYR A 14 10.500 12.467 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.390 13.921 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.271 13.567 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.679 14.462 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.271 15.425 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.525 16.308 1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.120 17.272 -0.561 1.00 0.00 H new ATOM 0 HH TYR A 14 10.234 18.391 -0.826 1.00 0.00 H new ATOM 167 N ILE A 15 10.624 12.307 0.040 1.00 0.00 N ATOM 168 CA ILE A 15 10.547 11.918 -1.363 1.00 0.00 C ATOM 169 C ILE A 15 11.096 13.016 -2.269 1.00 0.00 C ATOM 170 O ILE A 15 10.534 14.108 -2.351 1.00 0.00 O ATOM 171 CB ILE A 15 9.099 11.601 -1.781 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.544 10.447 -0.942 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.037 11.263 -3.263 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.734 10.903 0.251 1.00 0.00 C ATOM 0 H ILE A 15 9.895 12.954 0.339 1.00 0.00 H new ATOM 0 HA ILE A 15 11.154 11.020 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 15 8.484 12.483 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.920 9.816 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.373 9.830 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.007 11.041 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.397 12.112 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.663 10.394 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.372 10.033 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.360 11.510 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.885 11.495 -0.091 1.00 0.00 H new ATOM 186 N THR A 16 12.198 12.717 -2.949 1.00 0.00 N ATOM 187 CA THR A 16 12.824 13.677 -3.850 1.00 0.00 C ATOM 188 C THR A 16 12.244 13.570 -5.256 1.00 0.00 C ATOM 189 O THR A 16 12.977 13.596 -6.243 1.00 0.00 O ATOM 190 CB THR A 16 14.349 13.471 -3.919 1.00 0.00 C ATOM 191 OG1 THR A 16 14.645 12.192 -4.491 1.00 0.00 O ATOM 192 CG2 THR A 16 14.972 13.569 -2.534 1.00 0.00 C ATOM 0 H THR A 16 12.676 11.818 -2.893 1.00 0.00 H new ATOM 0 HA THR A 16 12.617 14.669 -3.449 1.00 0.00 H new ATOM 0 HB THR A 16 14.771 14.256 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.616 12.069 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.049 13.420 -2.608 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.770 14.554 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.544 12.803 -1.887 1.00 0.00 H new ATOM 200 N GLY A 17 10.923 13.452 -5.338 1.00 0.00 N ATOM 201 CA GLY A 17 10.267 13.345 -6.628 1.00 0.00 C ATOM 202 C GLY A 17 8.783 13.061 -6.503 1.00 0.00 C ATOM 203 O GLY A 17 8.070 13.759 -5.781 1.00 0.00 O ATOM 0 H GLY A 17 10.295 13.429 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.411 14.272 -7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.738 12.551 -7.207 1.00 0.00 H new ATOM 207 N ARG A 18 8.316 12.036 -7.208 1.00 0.00 N ATOM 208 CA ARG A 18 6.907 11.664 -7.174 1.00 0.00 C ATOM 209 C ARG A 18 6.619 10.730 -6.002 1.00 0.00 C ATOM 210 O ARG A 18 7.449 9.894 -5.642 1.00 0.00 O ATOM 211 CB ARG A 18 6.503 10.991 -8.487 1.00 0.00 C ATOM 212 CG ARG A 18 6.966 9.548 -8.600 1.00 0.00 C ATOM 213 CD ARG A 18 7.316 9.186 -10.035 1.00 0.00 C ATOM 214 NE ARG A 18 8.702 8.745 -10.166 1.00 0.00 N ATOM 215 CZ ARG A 18 9.725 9.577 -10.325 1.00 0.00 C ATOM 216 NH1 ARG A 18 9.519 10.886 -10.371 1.00 0.00 N ATOM 217 NH2 ARG A 18 10.958 9.100 -10.437 1.00 0.00 N ATOM 0 H ARG A 18 8.893 11.448 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 18 6.320 12.574 -7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.418 11.024 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.914 11.562 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.836 9.393 -7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.182 8.884 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.650 8.396 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.148 10.050 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 18 8.895 7.744 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.573 11.257 -10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.307 11.522 -10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.121 8.094 -10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.743 9.740 -10.559 1.00 0.00 H new ATOM 231 N VAL A 19 5.438 10.877 -5.411 1.00 0.00 N ATOM 232 CA VAL A 19 5.040 10.047 -4.280 1.00 0.00 C ATOM 233 C VAL A 19 3.714 9.346 -4.553 1.00 0.00 C ATOM 234 O VAL A 19 2.834 9.895 -5.218 1.00 0.00 O ATOM 235 CB VAL A 19 4.913 10.878 -2.990 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.025 11.912 -2.910 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.548 11.545 -2.919 1.00 0.00 C ATOM 0 H VAL A 19 4.740 11.563 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 19 5.822 9.300 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 19 5.010 10.208 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.919 12.490 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.991 11.408 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.963 12.581 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.475 12.128 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.420 12.203 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.769 10.782 -2.927 1.00 0.00 H new ATOM 247 N LEU A 20 3.576 8.131 -4.035 1.00 0.00 N ATOM 248 CA LEU A 20 2.355 7.354 -4.222 1.00 0.00 C ATOM 249 C LEU A 20 1.288 7.764 -3.212 1.00 0.00 C ATOM 250 O LEU A 20 1.282 7.291 -2.076 1.00 0.00 O ATOM 251 CB LEU A 20 2.653 5.859 -4.088 1.00 0.00 C ATOM 252 CG LEU A 20 3.255 5.182 -5.319 1.00 0.00 C ATOM 253 CD1 LEU A 20 3.736 3.780 -4.976 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.241 5.137 -6.453 1.00 0.00 C ATOM 0 H LEU A 20 4.294 7.662 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 20 1.976 7.555 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.336 5.719 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.726 5.346 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 20 4.113 5.768 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.161 3.314 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.496 3.837 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.896 3.184 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.687 4.652 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.363 4.575 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.945 6.152 -6.717 1.00 0.00 H new ATOM 266 N GLU A 21 0.387 8.644 -3.635 1.00 0.00 N ATOM 267 CA GLU A 21 -0.686 9.116 -2.767 1.00 0.00 C ATOM 268 C GLU A 21 -1.807 8.085 -2.679 1.00 0.00 C ATOM 269 O GLU A 21 -2.653 7.994 -3.568 1.00 0.00 O ATOM 270 CB GLU A 21 -1.240 10.446 -3.281 1.00 0.00 C ATOM 271 CG GLU A 21 -1.342 11.518 -2.209 1.00 0.00 C ATOM 272 CD GLU A 21 -2.387 12.568 -2.531 1.00 0.00 C ATOM 273 OE1 GLU A 21 -3.563 12.366 -2.165 1.00 0.00 O ATOM 274 OE2 GLU A 21 -2.028 13.592 -3.151 1.00 0.00 O ATOM 0 H GLU A 21 0.378 9.045 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.273 9.264 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.601 10.809 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.228 10.277 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.585 11.050 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.372 12.001 -2.090 1.00 0.00 H new ATOM 281 N ALA A 22 -1.807 7.310 -1.599 1.00 0.00 N ATOM 282 CA ALA A 22 -2.825 6.287 -1.392 1.00 0.00 C ATOM 283 C ALA A 22 -3.790 6.689 -0.282 1.00 0.00 C ATOM 284 O ALA A 22 -3.534 6.440 0.896 1.00 0.00 O ATOM 285 CB ALA A 22 -2.172 4.951 -1.070 1.00 0.00 C ATOM 0 H ALA A 22 -1.113 7.371 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.397 6.186 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.944 4.196 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.529 4.651 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.575 5.047 -0.163 1.00 0.00 H new ATOM 291 N GLY A 23 -4.900 7.312 -0.665 1.00 0.00 N ATOM 292 CA GLY A 23 -5.886 7.739 0.311 1.00 0.00 C ATOM 293 C GLY A 23 -5.537 9.072 0.942 1.00 0.00 C ATOM 294 O GLY A 23 -6.005 10.119 0.494 1.00 0.00 O ATOM 0 H GLY A 23 -5.134 7.529 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.861 7.813 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.972 6.983 1.091 1.00 0.00 H new ATOM 298 N GLU A 24 -4.715 9.034 1.987 1.00 0.00 N ATOM 299 CA GLU A 24 -4.308 10.249 2.681 1.00 0.00 C ATOM 300 C GLU A 24 -2.873 10.131 3.189 1.00 0.00 C ATOM 301 O GLU A 24 -2.487 10.791 4.153 1.00 0.00 O ATOM 302 CB GLU A 24 -5.252 10.536 3.851 1.00 0.00 C ATOM 303 CG GLU A 24 -6.538 11.231 3.438 1.00 0.00 C ATOM 304 CD GLU A 24 -6.969 12.297 4.427 1.00 0.00 C ATOM 305 OE1 GLU A 24 -7.200 11.953 5.605 1.00 0.00 O ATOM 306 OE2 GLU A 24 -7.074 13.474 4.023 1.00 0.00 O ATOM 0 H GLU A 24 -4.319 8.176 2.370 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.358 11.075 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.499 9.597 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.733 11.155 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.402 11.685 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.331 10.490 3.339 1.00 0.00 H new ATOM 313 N LYS A 25 -2.088 9.283 2.532 1.00 0.00 N ATOM 314 CA LYS A 25 -0.696 9.077 2.915 1.00 0.00 C ATOM 315 C LYS A 25 0.217 9.131 1.694 1.00 0.00 C ATOM 316 O LYS A 25 -0.252 9.206 0.558 1.00 0.00 O ATOM 317 CB LYS A 25 -0.535 7.731 3.625 1.00 0.00 C ATOM 318 CG LYS A 25 -1.178 7.689 5.001 1.00 0.00 C ATOM 319 CD LYS A 25 -0.236 7.102 6.039 1.00 0.00 C ATOM 320 CE LYS A 25 -0.997 6.360 7.126 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.111 5.447 7.900 1.00 0.00 N ATOM 0 H LYS A 25 -2.392 8.728 1.732 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.410 9.878 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.972 6.948 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.527 7.506 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.467 8.697 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.091 7.095 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.463 6.421 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.356 7.900 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.457 7.080 7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.806 5.785 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.668 4.960 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.308 4.744 7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.646 5.999 8.352 1.00 0.00 H new ATOM 335 N HIS A 26 1.523 9.093 1.936 1.00 0.00 N ATOM 336 CA HIS A 26 2.502 9.136 0.855 1.00 0.00 C ATOM 337 C HIS A 26 3.571 8.063 1.047 1.00 0.00 C ATOM 338 O HIS A 26 3.900 7.696 2.175 1.00 0.00 O ATOM 339 CB HIS A 26 3.156 10.516 0.785 1.00 0.00 C ATOM 340 CG HIS A 26 2.172 11.645 0.791 1.00 0.00 C ATOM 341 ND1 HIS A 26 0.913 11.549 0.237 1.00 0.00 N ATOM 342 CD2 HIS A 26 2.267 12.900 1.289 1.00 0.00 C ATOM 343 CE1 HIS A 26 0.277 12.697 0.392 1.00 0.00 C ATOM 344 NE2 HIS A 26 1.077 13.534 1.028 1.00 0.00 N ATOM 0 H HIS A 26 1.928 9.033 2.870 1.00 0.00 H new ATOM 0 HA HIS A 26 1.980 8.941 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.834 10.631 1.631 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.761 10.577 -0.119 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.532 10.721 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.120 13.324 1.797 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.726 12.914 0.056 1.00 0.00 H new ATOM 352 N TYR A 27 4.107 7.565 -0.061 1.00 0.00 N ATOM 353 CA TYR A 27 5.136 6.533 -0.015 1.00 0.00 C ATOM 354 C TYR A 27 6.020 6.588 -1.257 1.00 0.00 C ATOM 355 O TYR A 27 5.668 7.216 -2.256 1.00 0.00 O ATOM 356 CB TYR A 27 4.495 5.149 0.107 1.00 0.00 C ATOM 357 CG TYR A 27 3.331 5.104 1.072 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.543 5.097 2.446 1.00 0.00 C ATOM 359 CD2 TYR A 27 2.021 5.067 0.611 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.484 5.055 3.331 1.00 0.00 C ATOM 361 CE2 TYR A 27 0.956 5.027 1.490 1.00 0.00 C ATOM 362 CZ TYR A 27 1.192 5.020 2.849 1.00 0.00 C ATOM 363 OH TYR A 27 0.134 4.979 3.727 1.00 0.00 O ATOM 0 H TYR A 27 3.846 7.859 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 27 5.759 6.717 0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.153 4.828 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.252 4.434 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.553 5.125 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.832 5.070 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.666 5.050 4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.056 5.001 1.115 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.552 4.368 3.385 1.00 0.00 H new ATOM 373 N HIS A 28 7.170 5.925 -1.187 1.00 0.00 N ATOM 374 CA HIS A 28 8.105 5.897 -2.306 1.00 0.00 C ATOM 375 C HIS A 28 7.564 5.039 -3.445 1.00 0.00 C ATOM 376 O HIS A 28 6.676 4.206 -3.260 1.00 0.00 O ATOM 377 CB HIS A 28 9.463 5.362 -1.850 1.00 0.00 C ATOM 378 CG HIS A 28 10.376 6.422 -1.316 1.00 0.00 C ATOM 379 ND1 HIS A 28 10.902 6.390 -0.042 1.00 0.00 N ATOM 380 CD2 HIS A 28 10.858 7.548 -1.893 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.667 7.452 0.143 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.657 8.170 -0.965 1.00 0.00 N ATOM 0 H HIS A 28 7.477 5.400 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 28 8.228 6.917 -2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.307 4.607 -1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.949 4.865 -2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.653 7.893 -2.896 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.208 7.692 1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.161 9.045 -1.109 1.00 0.00 H new ATOM 390 N PRO A 29 8.109 5.245 -4.653 1.00 0.00 N ATOM 391 CA PRO A 29 7.695 4.501 -5.846 1.00 0.00 C ATOM 392 C PRO A 29 8.124 3.038 -5.794 1.00 0.00 C ATOM 393 O PRO A 29 7.876 2.275 -6.728 1.00 0.00 O ATOM 394 CB PRO A 29 8.414 5.228 -6.985 1.00 0.00 C ATOM 395 CG PRO A 29 9.600 5.860 -6.343 1.00 0.00 C ATOM 396 CD PRO A 29 9.171 6.222 -4.947 1.00 0.00 C ATOM 0 HA PRO A 29 6.611 4.476 -5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.712 4.534 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.769 5.975 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.447 5.174 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.918 6.744 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.997 6.143 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.801 7.246 -4.893 1.00 0.00 H new ATOM 404 N SER A 30 8.768 2.654 -4.697 1.00 0.00 N ATOM 405 CA SER A 30 9.235 1.283 -4.525 1.00 0.00 C ATOM 406 C SER A 30 8.809 0.731 -3.168 1.00 0.00 C ATOM 407 O SER A 30 8.561 -0.467 -3.022 1.00 0.00 O ATOM 408 CB SER A 30 10.757 1.219 -4.659 1.00 0.00 C ATOM 409 OG SER A 30 11.391 1.966 -3.635 1.00 0.00 O ATOM 0 H SER A 30 8.978 3.273 -3.914 1.00 0.00 H new ATOM 0 HA SER A 30 8.783 0.671 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.086 0.181 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.056 1.605 -5.633 1.00 0.00 H new ATOM 0 HG SER A 30 12.363 1.908 -3.742 1.00 0.00 H new ATOM 415 N CYS A 31 8.726 1.612 -2.177 1.00 0.00 N ATOM 416 CA CYS A 31 8.331 1.215 -0.831 1.00 0.00 C ATOM 417 C CYS A 31 6.916 0.645 -0.825 1.00 0.00 C ATOM 418 O CYS A 31 6.659 -0.399 -0.226 1.00 0.00 O ATOM 419 CB CYS A 31 8.415 2.410 0.121 1.00 0.00 C ATOM 420 SG CYS A 31 10.109 2.822 0.649 1.00 0.00 S ATOM 0 H CYS A 31 8.927 2.607 -2.281 1.00 0.00 H new ATOM 0 HA CYS A 31 9.018 0.439 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.976 3.281 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.811 2.201 1.004 1.00 0.00 H new ATOM 425 N ALA A 32 6.002 1.337 -1.497 1.00 0.00 N ATOM 426 CA ALA A 32 4.614 0.899 -1.571 1.00 0.00 C ATOM 427 C ALA A 32 4.395 -0.030 -2.761 1.00 0.00 C ATOM 428 O ALA A 32 4.378 0.411 -3.911 1.00 0.00 O ATOM 429 CB ALA A 32 3.685 2.101 -1.659 1.00 0.00 C ATOM 0 H ALA A 32 6.198 2.204 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 32 4.385 0.343 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.652 1.759 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.814 2.726 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.923 2.680 -2.551 1.00 0.00 H new ATOM 435 N LEU A 33 4.228 -1.317 -2.477 1.00 0.00 N ATOM 436 CA LEU A 33 4.010 -2.309 -3.524 1.00 0.00 C ATOM 437 C LEU A 33 2.723 -3.089 -3.276 1.00 0.00 C ATOM 438 O LEU A 33 2.500 -3.608 -2.182 1.00 0.00 O ATOM 439 CB LEU A 33 5.197 -3.271 -3.597 1.00 0.00 C ATOM 440 CG LEU A 33 6.584 -2.628 -3.583 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.667 -3.695 -3.601 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.745 -1.683 -4.765 1.00 0.00 C ATOM 0 H LEU A 33 4.239 -1.698 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 33 3.917 -1.784 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.131 -3.963 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.103 -3.864 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 33 6.687 -2.051 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.647 -3.219 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.564 -4.333 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.567 -4.300 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.738 -1.234 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.622 -2.239 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.991 -0.898 -4.709 1.00 0.00 H new ATOM 454 N CYS A 34 1.879 -3.169 -4.300 1.00 0.00 N ATOM 455 CA CYS A 34 0.614 -3.886 -4.194 1.00 0.00 C ATOM 456 C CYS A 34 0.766 -5.130 -3.323 1.00 0.00 C ATOM 457 O CYS A 34 1.556 -6.023 -3.627 1.00 0.00 O ATOM 458 CB CYS A 34 0.112 -4.283 -5.584 1.00 0.00 C ATOM 459 SG CYS A 34 -1.289 -5.448 -5.564 1.00 0.00 S ATOM 0 H CYS A 34 2.049 -2.746 -5.212 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.114 -3.223 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.185 -3.383 -6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.935 -4.730 -6.142 1.00 0.00 H new ATOM 464 N VAL A 35 0.001 -5.180 -2.236 1.00 0.00 N ATOM 465 CA VAL A 35 0.049 -6.314 -1.320 1.00 0.00 C ATOM 466 C VAL A 35 -0.246 -7.621 -2.048 1.00 0.00 C ATOM 467 O VAL A 35 0.263 -8.678 -1.677 1.00 0.00 O ATOM 468 CB VAL A 35 -0.955 -6.144 -0.165 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.719 -4.828 0.560 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.383 -6.228 -0.683 1.00 0.00 C ATOM 0 H VAL A 35 -0.658 -4.449 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 35 1.059 -6.349 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.803 -6.955 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.438 -4.726 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.292 -4.813 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.842 -4.001 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.079 -6.106 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.551 -5.439 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.544 -7.199 -1.151 1.00 0.00 H new ATOM 480 N ARG A 36 -1.073 -7.540 -3.086 1.00 0.00 N ATOM 481 CA ARG A 36 -1.437 -8.717 -3.865 1.00 0.00 C ATOM 482 C ARG A 36 -0.237 -9.242 -4.649 1.00 0.00 C ATOM 483 O ARG A 36 0.339 -10.274 -4.305 1.00 0.00 O ATOM 484 CB ARG A 36 -2.581 -8.385 -4.825 1.00 0.00 C ATOM 485 CG ARG A 36 -3.280 -9.613 -5.386 1.00 0.00 C ATOM 486 CD ARG A 36 -4.716 -9.709 -4.894 1.00 0.00 C ATOM 487 NE ARG A 36 -5.130 -11.094 -4.683 1.00 0.00 N ATOM 488 CZ ARG A 36 -4.673 -11.855 -3.695 1.00 0.00 C ATOM 489 NH1 ARG A 36 -3.792 -11.368 -2.832 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.098 -13.105 -3.568 1.00 0.00 N ATOM 0 H ARG A 36 -1.503 -6.672 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.765 -9.493 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.313 -7.766 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.190 -7.790 -5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.269 -9.574 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.733 -10.510 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.818 -9.154 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.380 -9.238 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.807 -11.499 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.464 -10.407 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.443 -11.954 -2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.776 -13.483 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.746 -13.689 -2.809 1.00 0.00 H new ATOM 504 N CYS A 37 0.133 -8.525 -5.705 1.00 0.00 N ATOM 505 CA CYS A 37 1.262 -8.918 -6.539 1.00 0.00 C ATOM 506 C CYS A 37 2.544 -8.232 -6.077 1.00 0.00 C ATOM 507 O CYS A 37 3.579 -8.875 -5.907 1.00 0.00 O ATOM 508 CB CYS A 37 0.985 -8.574 -8.004 1.00 0.00 C ATOM 509 SG CYS A 37 0.753 -6.795 -8.318 1.00 0.00 S ATOM 0 H CYS A 37 -0.333 -7.668 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 37 1.394 -9.996 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.813 -8.935 -8.614 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.093 -9.109 -8.329 1.00 0.00 H new ATOM 514 N GLY A 38 2.467 -6.920 -5.876 1.00 0.00 N ATOM 515 CA GLY A 38 3.627 -6.167 -5.435 1.00 0.00 C ATOM 516 C GLY A 38 4.323 -5.454 -6.577 1.00 0.00 C ATOM 517 O GLY A 38 5.545 -5.307 -6.572 1.00 0.00 O ATOM 0 H GLY A 38 1.622 -6.365 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.319 -5.436 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.331 -6.842 -4.949 1.00 0.00 H new ATOM 521 N GLN A 39 3.544 -5.011 -7.559 1.00 0.00 N ATOM 522 CA GLN A 39 4.094 -4.311 -8.714 1.00 0.00 C ATOM 523 C GLN A 39 3.988 -2.800 -8.536 1.00 0.00 C ATOM 524 O GLN A 39 2.898 -2.264 -8.337 1.00 0.00 O ATOM 525 CB GLN A 39 3.367 -4.739 -9.990 1.00 0.00 C ATOM 526 CG GLN A 39 3.559 -6.207 -10.336 1.00 0.00 C ATOM 527 CD GLN A 39 4.489 -6.411 -11.516 1.00 0.00 C ATOM 528 OE1 GLN A 39 4.350 -5.758 -12.551 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.444 -7.321 -11.367 1.00 0.00 N ATOM 0 H GLN A 39 2.530 -5.124 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 39 5.148 -4.575 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.302 -4.537 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.720 -4.129 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.959 -6.732 -9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.590 -6.653 -10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.523 -7.839 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.099 -7.502 -12.128 1.00 0.00 H new ATOM 538 N MET A 40 5.127 -2.119 -8.609 1.00 0.00 N ATOM 539 CA MET A 40 5.161 -0.669 -8.457 1.00 0.00 C ATOM 540 C MET A 40 4.088 -0.007 -9.316 1.00 0.00 C ATOM 541 O MET A 40 3.522 -0.634 -10.212 1.00 0.00 O ATOM 542 CB MET A 40 6.541 -0.128 -8.837 1.00 0.00 C ATOM 543 CG MET A 40 7.658 -0.624 -7.934 1.00 0.00 C ATOM 544 SD MET A 40 8.610 -1.963 -8.678 1.00 0.00 S ATOM 545 CE MET A 40 8.489 -3.214 -7.403 1.00 0.00 C ATOM 0 H MET A 40 6.038 -2.548 -8.772 1.00 0.00 H new ATOM 0 HA MET A 40 4.961 -0.433 -7.412 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.763 -0.412 -9.866 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.516 0.961 -8.806 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.326 0.205 -7.700 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.232 -0.966 -6.991 1.00 0.00 H new ATOM 0 HE1 MET A 40 9.170 -4.034 -7.632 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.755 -2.779 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.468 -3.592 -7.360 1.00 0.00 H new ATOM 555 N PHE A 41 3.812 1.262 -9.035 1.00 0.00 N ATOM 556 CA PHE A 41 2.806 2.009 -9.781 1.00 0.00 C ATOM 557 C PHE A 41 3.408 3.268 -10.397 1.00 0.00 C ATOM 558 O PHE A 41 4.622 3.467 -10.367 1.00 0.00 O ATOM 559 CB PHE A 41 1.637 2.383 -8.868 1.00 0.00 C ATOM 560 CG PHE A 41 1.240 1.286 -7.922 1.00 0.00 C ATOM 561 CD1 PHE A 41 2.106 0.866 -6.925 1.00 0.00 C ATOM 562 CD2 PHE A 41 0.002 0.673 -8.030 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.744 -0.143 -6.052 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.366 -0.336 -7.160 1.00 0.00 C ATOM 565 CZ PHE A 41 0.507 -0.745 -6.171 1.00 0.00 C ATOM 0 H PHE A 41 4.271 1.795 -8.296 1.00 0.00 H new ATOM 0 HA PHE A 41 2.440 1.372 -10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.905 3.269 -8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.778 2.650 -9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.075 1.332 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.683 0.987 -8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.428 -0.460 -5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.335 -0.804 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.222 -1.535 -5.491 1.00 0.00 H new ATOM 575 N ALA A 42 2.550 4.114 -10.957 1.00 0.00 N ATOM 576 CA ALA A 42 2.996 5.355 -11.579 1.00 0.00 C ATOM 577 C ALA A 42 2.893 6.525 -10.606 1.00 0.00 C ATOM 578 O ALA A 42 2.751 6.329 -9.399 1.00 0.00 O ATOM 579 CB ALA A 42 2.184 5.637 -12.834 1.00 0.00 C ATOM 0 H ALA A 42 1.542 3.963 -10.993 1.00 0.00 H new ATOM 0 HA ALA A 42 4.044 5.238 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.527 6.566 -13.288 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.312 4.818 -13.542 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.130 5.729 -12.572 1.00 0.00 H new ATOM 585 N GLU A 43 2.967 7.740 -11.139 1.00 0.00 N ATOM 586 CA GLU A 43 2.883 8.941 -10.316 1.00 0.00 C ATOM 587 C GLU A 43 1.483 9.545 -10.375 1.00 0.00 C ATOM 588 O GLU A 43 1.320 10.764 -10.371 1.00 0.00 O ATOM 589 CB GLU A 43 3.915 9.973 -10.775 1.00 0.00 C ATOM 590 CG GLU A 43 3.591 10.602 -12.120 1.00 0.00 C ATOM 591 CD GLU A 43 4.009 12.057 -12.200 1.00 0.00 C ATOM 592 OE1 GLU A 43 5.215 12.338 -12.042 1.00 0.00 O ATOM 593 OE2 GLU A 43 3.128 12.915 -12.420 1.00 0.00 O ATOM 0 H GLU A 43 3.085 7.919 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 43 3.095 8.659 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.989 10.760 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.893 9.495 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.091 10.040 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.519 10.525 -12.304 1.00 0.00 H new ATOM 600 N GLY A 44 0.474 8.681 -10.429 1.00 0.00 N ATOM 601 CA GLY A 44 -0.899 9.146 -10.489 1.00 0.00 C ATOM 602 C GLY A 44 -1.859 8.066 -10.947 1.00 0.00 C ATOM 603 O GLY A 44 -2.736 8.316 -11.773 1.00 0.00 O ATOM 0 H GLY A 44 0.583 7.667 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.202 9.503 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.962 9.996 -11.169 1.00 0.00 H new ATOM 607 N GLU A 45 -1.690 6.861 -10.412 1.00 0.00 N ATOM 608 CA GLU A 45 -2.547 5.738 -10.775 1.00 0.00 C ATOM 609 C GLU A 45 -3.772 5.673 -9.866 1.00 0.00 C ATOM 610 O GLU A 45 -3.721 6.089 -8.709 1.00 0.00 O ATOM 611 CB GLU A 45 -1.767 4.424 -10.692 1.00 0.00 C ATOM 612 CG GLU A 45 -0.884 4.164 -11.901 1.00 0.00 C ATOM 613 CD GLU A 45 -1.671 4.105 -13.196 1.00 0.00 C ATOM 614 OE1 GLU A 45 -2.711 3.414 -13.227 1.00 0.00 O ATOM 615 OE2 GLU A 45 -1.247 4.749 -14.178 1.00 0.00 O ATOM 0 H GLU A 45 -0.968 6.637 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.884 5.888 -11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.147 4.435 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.471 3.599 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.132 4.950 -11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.350 3.224 -11.761 1.00 0.00 H new ATOM 622 N GLU A 46 -4.870 5.148 -10.400 1.00 0.00 N ATOM 623 CA GLU A 46 -6.108 5.030 -9.638 1.00 0.00 C ATOM 624 C GLU A 46 -6.377 3.576 -9.259 1.00 0.00 C ATOM 625 O GLU A 46 -6.501 2.711 -10.126 1.00 0.00 O ATOM 626 CB GLU A 46 -7.284 5.585 -10.443 1.00 0.00 C ATOM 627 CG GLU A 46 -7.198 7.081 -10.694 1.00 0.00 C ATOM 628 CD GLU A 46 -6.478 7.416 -11.986 1.00 0.00 C ATOM 629 OE1 GLU A 46 -5.493 6.721 -12.313 1.00 0.00 O ATOM 630 OE2 GLU A 46 -6.900 8.371 -12.671 1.00 0.00 O ATOM 0 H GLU A 46 -4.928 4.798 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.998 5.612 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.335 5.067 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.211 5.367 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.204 7.499 -10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.681 7.556 -9.861 1.00 0.00 H new ATOM 637 N MET A 47 -6.466 3.316 -7.959 1.00 0.00 N ATOM 638 CA MET A 47 -6.721 1.968 -7.466 1.00 0.00 C ATOM 639 C MET A 47 -7.568 2.004 -6.198 1.00 0.00 C ATOM 640 O MET A 47 -7.667 3.037 -5.535 1.00 0.00 O ATOM 641 CB MET A 47 -5.402 1.244 -7.191 1.00 0.00 C ATOM 642 CG MET A 47 -4.524 1.949 -6.169 1.00 0.00 C ATOM 643 SD MET A 47 -3.706 3.407 -6.844 1.00 0.00 S ATOM 644 CE MET A 47 -1.987 2.996 -6.555 1.00 0.00 C ATOM 0 H MET A 47 -6.365 4.021 -7.228 1.00 0.00 H new ATOM 0 HA MET A 47 -7.271 1.426 -8.235 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.617 0.235 -6.839 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.850 1.144 -8.125 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.133 2.242 -5.314 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.771 1.252 -5.801 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.401 3.240 -7.441 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.614 3.567 -5.705 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.898 1.931 -6.343 1.00 0.00 H new ATOM 654 N TYR A 48 -8.179 0.872 -5.867 1.00 0.00 N ATOM 655 CA TYR A 48 -9.020 0.775 -4.680 1.00 0.00 C ATOM 656 C TYR A 48 -8.171 0.733 -3.413 1.00 0.00 C ATOM 657 O TYR A 48 -7.083 0.155 -3.398 1.00 0.00 O ATOM 658 CB TYR A 48 -9.905 -0.470 -4.756 1.00 0.00 C ATOM 659 CG TYR A 48 -10.669 -0.591 -6.055 1.00 0.00 C ATOM 660 CD1 TYR A 48 -11.908 0.017 -6.214 1.00 0.00 C ATOM 661 CD2 TYR A 48 -10.152 -1.314 -7.123 1.00 0.00 C ATOM 662 CE1 TYR A 48 -12.609 -0.092 -7.399 1.00 0.00 C ATOM 663 CE2 TYR A 48 -10.846 -1.427 -8.312 1.00 0.00 C ATOM 664 CZ TYR A 48 -12.074 -0.815 -8.445 1.00 0.00 C ATOM 665 OH TYR A 48 -12.770 -0.924 -9.627 1.00 0.00 O ATOM 0 H TYR A 48 -8.108 0.008 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.654 1.661 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.283 -1.356 -4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.613 -0.453 -3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.330 0.584 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.191 -1.796 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.571 0.386 -7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.429 -1.992 -9.133 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.255 -1.465 -10.261 1.00 0.00 H new ATOM 675 N LEU A 49 -8.676 1.349 -2.349 1.00 0.00 N ATOM 676 CA LEU A 49 -7.967 1.383 -1.075 1.00 0.00 C ATOM 677 C LEU A 49 -8.814 0.772 0.036 1.00 0.00 C ATOM 678 O LEU A 49 -10.023 0.992 0.098 1.00 0.00 O ATOM 679 CB LEU A 49 -7.592 2.821 -0.716 1.00 0.00 C ATOM 680 CG LEU A 49 -6.268 3.333 -1.284 1.00 0.00 C ATOM 681 CD1 LEU A 49 -5.110 2.478 -0.791 1.00 0.00 C ATOM 682 CD2 LEU A 49 -6.311 3.349 -2.805 1.00 0.00 C ATOM 0 H LEU A 49 -9.574 1.832 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.057 0.792 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.390 3.479 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.555 2.905 0.370 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.115 4.354 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.176 2.857 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.067 2.517 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.257 1.447 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.360 3.716 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.487 2.339 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.116 4.003 -3.139 1.00 0.00 H new ATOM 694 N GLN A 50 -8.170 0.008 0.913 1.00 0.00 N ATOM 695 CA GLN A 50 -8.865 -0.632 2.023 1.00 0.00 C ATOM 696 C GLN A 50 -8.041 -0.547 3.303 1.00 0.00 C ATOM 697 O GLN A 50 -6.963 -1.133 3.400 1.00 0.00 O ATOM 698 CB GLN A 50 -9.163 -2.095 1.690 1.00 0.00 C ATOM 699 CG GLN A 50 -10.536 -2.313 1.076 1.00 0.00 C ATOM 700 CD GLN A 50 -11.497 -3.003 2.025 1.00 0.00 C ATOM 701 OE1 GLN A 50 -12.032 -4.068 1.718 1.00 0.00 O ATOM 702 NE2 GLN A 50 -11.720 -2.398 3.186 1.00 0.00 N ATOM 0 H GLN A 50 -7.169 -0.182 0.876 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.805 -0.104 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.403 -2.464 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.083 -2.689 2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.953 -1.351 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.434 -2.911 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.255 -1.516 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.357 -2.816 3.865 1.00 0.00 H new ATOM 711 N GLY A 51 -8.555 0.188 4.285 1.00 0.00 N ATOM 712 CA GLY A 51 -7.853 0.337 5.546 1.00 0.00 C ATOM 713 C GLY A 51 -6.570 1.132 5.405 1.00 0.00 C ATOM 714 O GLY A 51 -6.505 2.295 5.805 1.00 0.00 O ATOM 0 H GLY A 51 -9.445 0.683 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.506 0.831 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.623 -0.649 5.949 1.00 0.00 H new ATOM 718 N SER A 52 -5.546 0.505 4.836 1.00 0.00 N ATOM 719 CA SER A 52 -4.256 1.160 4.648 1.00 0.00 C ATOM 720 C SER A 52 -3.366 0.348 3.712 1.00 0.00 C ATOM 721 O SER A 52 -2.144 0.328 3.862 1.00 0.00 O ATOM 722 CB SER A 52 -3.558 1.353 5.995 1.00 0.00 C ATOM 723 OG SER A 52 -2.871 2.592 6.041 1.00 0.00 O ATOM 0 H SER A 52 -5.584 -0.456 4.497 1.00 0.00 H new ATOM 0 HA SER A 52 -4.434 2.136 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.293 1.311 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.855 0.537 6.164 1.00 0.00 H new ATOM 0 HG SER A 52 -2.435 2.692 6.913 1.00 0.00 H new ATOM 729 N SER A 53 -3.987 -0.321 2.746 1.00 0.00 N ATOM 730 CA SER A 53 -3.253 -1.138 1.787 1.00 0.00 C ATOM 731 C SER A 53 -3.624 -0.762 0.356 1.00 0.00 C ATOM 732 O SER A 53 -4.759 -0.373 0.080 1.00 0.00 O ATOM 733 CB SER A 53 -3.537 -2.622 2.027 1.00 0.00 C ATOM 734 OG SER A 53 -3.530 -2.925 3.411 1.00 0.00 O ATOM 0 H SER A 53 -4.997 -0.313 2.607 1.00 0.00 H new ATOM 0 HA SER A 53 -2.188 -0.952 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.505 -2.884 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.788 -3.226 1.515 1.00 0.00 H new ATOM 0 HG SER A 53 -3.716 -3.879 3.538 1.00 0.00 H new ATOM 740 N ILE A 54 -2.659 -0.881 -0.549 1.00 0.00 N ATOM 741 CA ILE A 54 -2.884 -0.555 -1.952 1.00 0.00 C ATOM 742 C ILE A 54 -3.284 -1.794 -2.747 1.00 0.00 C ATOM 743 O ILE A 54 -2.483 -2.709 -2.933 1.00 0.00 O ATOM 744 CB ILE A 54 -1.631 0.070 -2.593 1.00 0.00 C ATOM 745 CG1 ILE A 54 -1.223 1.337 -1.838 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.885 0.380 -4.061 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.235 1.699 -2.009 1.00 0.00 C ATOM 0 H ILE A 54 -1.714 -1.201 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.697 0.171 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.813 -0.647 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.838 2.169 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.433 1.202 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.990 0.821 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.132 -0.541 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.715 1.082 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.453 2.607 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.858 0.885 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.447 1.867 -3.065 1.00 0.00 H new ATOM 759 N TRP A 55 -4.527 -1.814 -3.214 1.00 0.00 N ATOM 760 CA TRP A 55 -5.033 -2.939 -3.991 1.00 0.00 C ATOM 761 C TRP A 55 -5.239 -2.545 -5.450 1.00 0.00 C ATOM 762 O TRP A 55 -6.022 -1.646 -5.756 1.00 0.00 O ATOM 763 CB TRP A 55 -6.348 -3.446 -3.397 1.00 0.00 C ATOM 764 CG TRP A 55 -6.223 -3.889 -1.970 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.462 -3.138 -0.855 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.828 -5.185 -1.507 1.00 0.00 C ATOM 767 NE1 TRP A 55 -6.238 -3.888 0.274 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.850 -5.148 -0.099 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.460 -6.373 -2.144 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.516 -6.253 0.680 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -5.129 -7.469 -1.370 1.00 0.00 C ATOM 772 CH2 TRP A 55 -5.160 -7.403 0.029 1.00 0.00 C ATOM 0 H TRP A 55 -5.203 -1.064 -3.068 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.292 -3.738 -3.951 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.096 -2.656 -3.460 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.713 -4.279 -3.998 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.780 -2.106 -0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.343 -3.560 1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.435 -6.434 -3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.537 -6.204 1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.842 -8.392 -1.852 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.898 -8.278 0.606 1.00 0.00 H new ATOM 783 N HIS A 56 -4.531 -3.224 -6.347 1.00 0.00 N ATOM 784 CA HIS A 56 -4.638 -2.945 -7.775 1.00 0.00 C ATOM 785 C HIS A 56 -6.085 -3.057 -8.244 1.00 0.00 C ATOM 786 O HIS A 56 -6.943 -3.618 -7.562 1.00 0.00 O ATOM 787 CB HIS A 56 -3.755 -3.906 -8.572 1.00 0.00 C ATOM 788 CG HIS A 56 -2.394 -3.359 -8.874 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.230 -4.052 -8.615 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.015 -2.180 -9.418 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.194 -3.321 -8.985 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.643 -2.180 -9.477 1.00 0.00 N ATOM 0 H HIS A 56 -3.878 -3.971 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.297 -1.924 -7.947 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.648 -4.836 -8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.254 -4.153 -9.509 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.670 -1.386 -9.745 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.844 -3.607 -8.900 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.065 -1.423 -9.841 1.00 0.00 H new ATOM 800 N PRO A 57 -6.366 -2.510 -9.436 1.00 0.00 N ATOM 801 CA PRO A 57 -7.709 -2.536 -10.023 1.00 0.00 C ATOM 802 C PRO A 57 -8.125 -3.937 -10.458 1.00 0.00 C ATOM 803 O PRO A 57 -9.300 -4.296 -10.386 1.00 0.00 O ATOM 804 CB PRO A 57 -7.583 -1.614 -11.239 1.00 0.00 C ATOM 805 CG PRO A 57 -6.138 -1.659 -11.599 1.00 0.00 C ATOM 806 CD PRO A 57 -5.393 -1.826 -10.304 1.00 0.00 C ATOM 0 HA PRO A 57 -8.471 -2.222 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.207 -1.958 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.900 -0.599 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.931 -2.486 -12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.834 -0.745 -12.109 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.487 -2.417 -10.435 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.090 -0.865 -9.888 1.00 0.00 H new ATOM 814 N ALA A 58 -7.154 -4.725 -10.908 1.00 0.00 N ATOM 815 CA ALA A 58 -7.419 -6.087 -11.352 1.00 0.00 C ATOM 816 C ALA A 58 -7.215 -7.084 -10.216 1.00 0.00 C ATOM 817 O ALA A 58 -7.991 -8.027 -10.057 1.00 0.00 O ATOM 818 CB ALA A 58 -6.528 -6.441 -12.533 1.00 0.00 C ATOM 0 H ALA A 58 -6.176 -4.443 -10.975 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.461 -6.143 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.737 -7.462 -12.854 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.725 -5.754 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.482 -6.361 -12.237 1.00 0.00 H new ATOM 824 N CYS A 59 -6.166 -6.871 -9.429 1.00 0.00 N ATOM 825 CA CYS A 59 -5.859 -7.751 -8.308 1.00 0.00 C ATOM 826 C CYS A 59 -7.032 -7.822 -7.334 1.00 0.00 C ATOM 827 O CYS A 59 -7.602 -8.890 -7.110 1.00 0.00 O ATOM 828 CB CYS A 59 -4.605 -7.263 -7.579 1.00 0.00 C ATOM 829 SG CYS A 59 -3.095 -7.292 -8.596 1.00 0.00 S ATOM 0 H CYS A 59 -5.514 -6.096 -9.547 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.677 -8.751 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.775 -6.245 -7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.447 -7.882 -6.696 1.00 0.00 H new ATOM 834 N ARG A 60 -7.387 -6.677 -6.760 1.00 0.00 N ATOM 835 CA ARG A 60 -8.491 -6.609 -5.810 1.00 0.00 C ATOM 836 C ARG A 60 -9.646 -7.502 -6.254 1.00 0.00 C ATOM 837 O ARG A 60 -10.155 -8.307 -5.474 1.00 0.00 O ATOM 838 CB ARG A 60 -8.976 -5.166 -5.661 1.00 0.00 C ATOM 839 CG ARG A 60 -9.812 -4.930 -4.415 1.00 0.00 C ATOM 840 CD ARG A 60 -11.294 -4.845 -4.746 1.00 0.00 C ATOM 841 NE ARG A 60 -11.988 -3.872 -3.906 1.00 0.00 N ATOM 842 CZ ARG A 60 -13.150 -3.317 -4.232 1.00 0.00 C ATOM 843 NH1 ARG A 60 -13.745 -3.637 -5.372 1.00 0.00 N ATOM 844 NH2 ARG A 60 -13.719 -2.439 -3.415 1.00 0.00 N ATOM 0 H ARG A 60 -6.926 -5.784 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.129 -6.965 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.112 -4.502 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.564 -4.897 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.643 -5.738 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.493 -4.007 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.416 -4.571 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.751 -5.826 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.557 -3.604 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.311 -4.311 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.637 -3.209 -5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.264 -2.190 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.611 -2.013 -3.666 1.00 0.00 H new ATOM 858 N GLN A 61 -10.053 -7.353 -7.510 1.00 0.00 N ATOM 859 CA GLN A 61 -11.148 -8.145 -8.057 1.00 0.00 C ATOM 860 C GLN A 61 -11.032 -9.604 -7.628 1.00 0.00 C ATOM 861 O GLN A 61 -12.028 -10.243 -7.292 1.00 0.00 O ATOM 862 CB GLN A 61 -11.163 -8.049 -9.583 1.00 0.00 C ATOM 863 CG GLN A 61 -11.572 -6.680 -10.103 1.00 0.00 C ATOM 864 CD GLN A 61 -12.112 -6.731 -11.519 1.00 0.00 C ATOM 865 OE1 GLN A 61 -12.140 -7.790 -12.147 1.00 0.00 O ATOM 866 NE2 GLN A 61 -12.544 -5.584 -12.029 1.00 0.00 N ATOM 0 H GLN A 61 -9.641 -6.691 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.083 -7.744 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.171 -8.291 -9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.848 -8.798 -9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.330 -6.257 -9.444 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.712 -6.011 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.502 -4.730 -11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.918 -5.556 -12.978 1.00 0.00 H new ATOM 875 N ALA A 62 -9.809 -10.124 -7.643 1.00 0.00 N ATOM 876 CA ALA A 62 -9.562 -11.507 -7.255 1.00 0.00 C ATOM 877 C ALA A 62 -9.647 -11.676 -5.741 1.00 0.00 C ATOM 878 O ALA A 62 -10.171 -12.673 -5.247 1.00 0.00 O ATOM 879 CB ALA A 62 -8.203 -11.964 -7.763 1.00 0.00 C ATOM 0 H ALA A 62 -8.974 -9.608 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.334 -12.128 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.033 -12.999 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.177 -11.890 -8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.424 -11.331 -7.338 1.00 0.00 H new ATOM 885 N ALA A 63 -9.128 -10.694 -5.011 1.00 0.00 N ATOM 886 CA ALA A 63 -9.147 -10.733 -3.554 1.00 0.00 C ATOM 887 C ALA A 63 -10.248 -9.839 -2.995 1.00 0.00 C ATOM 888 O ALA A 63 -10.039 -9.117 -2.020 1.00 0.00 O ATOM 889 CB ALA A 63 -7.793 -10.318 -2.998 1.00 0.00 C ATOM 0 H ALA A 63 -8.689 -9.862 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.356 -11.757 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.821 -10.352 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.025 -11.001 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.561 -9.304 -3.324 1.00 0.00 H new ATOM 895 N ARG A 64 -11.420 -9.892 -3.619 1.00 0.00 N ATOM 896 CA ARG A 64 -12.554 -9.084 -3.184 1.00 0.00 C ATOM 897 C ARG A 64 -13.646 -9.962 -2.578 1.00 0.00 C ATOM 898 O ARG A 64 -14.642 -9.461 -2.055 1.00 0.00 O ATOM 899 CB ARG A 64 -13.120 -8.286 -4.359 1.00 0.00 C ATOM 900 CG ARG A 64 -14.094 -9.075 -5.219 1.00 0.00 C ATOM 901 CD ARG A 64 -15.485 -8.461 -5.190 1.00 0.00 C ATOM 902 NE ARG A 64 -15.627 -7.382 -6.164 1.00 0.00 N ATOM 903 CZ ARG A 64 -16.589 -6.467 -6.113 1.00 0.00 C ATOM 904 NH1 ARG A 64 -17.489 -6.501 -5.140 1.00 0.00 N ATOM 905 NH2 ARG A 64 -16.652 -5.516 -7.036 1.00 0.00 N ATOM 0 H ARG A 64 -11.610 -10.485 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.202 -8.391 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.624 -7.399 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.296 -7.940 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.731 -9.107 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.142 -10.105 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.227 -9.233 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.691 -8.077 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.950 -7.328 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.444 -7.231 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.227 -5.798 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.961 -5.487 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.391 -4.814 -6.996 1.00 0.00 H new ATOM 919 N THR A 65 -13.452 -11.275 -2.653 1.00 0.00 N ATOM 920 CA THR A 65 -14.420 -12.222 -2.115 1.00 0.00 C ATOM 921 C THR A 65 -13.726 -13.341 -1.346 1.00 0.00 C ATOM 922 O THR A 65 -13.405 -14.387 -1.909 1.00 0.00 O ATOM 923 CB THR A 65 -15.281 -12.841 -3.232 1.00 0.00 C ATOM 924 OG1 THR A 65 -14.456 -13.200 -4.346 1.00 0.00 O ATOM 925 CG2 THR A 65 -16.359 -11.868 -3.686 1.00 0.00 C ATOM 0 H THR A 65 -12.633 -11.706 -3.081 1.00 0.00 H new ATOM 0 HA THR A 65 -15.064 -11.663 -1.436 1.00 0.00 H new ATOM 0 HB THR A 65 -15.763 -13.734 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.718 -13.766 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.954 -12.327 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.004 -11.620 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.892 -10.959 -4.066 1.00 0.00 H new ATOM 933 N GLU A 66 -13.497 -13.112 -0.057 1.00 0.00 N ATOM 934 CA GLU A 66 -12.840 -14.102 0.789 1.00 0.00 C ATOM 935 C GLU A 66 -13.414 -14.077 2.203 1.00 0.00 C ATOM 936 O GLU A 66 -12.991 -13.281 3.042 1.00 0.00 O ATOM 937 CB GLU A 66 -11.332 -13.847 0.834 1.00 0.00 C ATOM 938 CG GLU A 66 -10.537 -14.730 -0.112 1.00 0.00 C ATOM 939 CD GLU A 66 -10.684 -14.313 -1.563 1.00 0.00 C ATOM 940 OE1 GLU A 66 -10.830 -13.099 -1.819 1.00 0.00 O ATOM 941 OE2 GLU A 66 -10.654 -15.200 -2.441 1.00 0.00 O ATOM 0 H GLU A 66 -13.756 -12.251 0.424 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.022 -15.087 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.141 -12.802 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.975 -14.006 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.484 -14.698 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.865 -15.763 -0.000 1.00 0.00 H new ATOM 948 N ASP A 67 -14.380 -14.952 2.459 1.00 0.00 N ATOM 949 CA ASP A 67 -15.012 -15.031 3.770 1.00 0.00 C ATOM 950 C ASP A 67 -14.201 -15.915 4.712 1.00 0.00 C ATOM 951 O ASP A 67 -14.570 -17.058 4.980 1.00 0.00 O ATOM 952 CB ASP A 67 -16.436 -15.575 3.641 1.00 0.00 C ATOM 953 CG ASP A 67 -17.298 -15.231 4.841 1.00 0.00 C ATOM 954 OD1 ASP A 67 -17.945 -14.164 4.819 1.00 0.00 O ATOM 955 OD2 ASP A 67 -17.324 -16.029 5.801 1.00 0.00 O ATOM 0 H ASP A 67 -14.742 -15.617 1.775 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.051 -14.025 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.896 -15.171 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -16.399 -16.658 3.522 1.00 0.00 H new ATOM 960 N SER A 68 -13.092 -15.377 5.211 1.00 0.00 N ATOM 961 CA SER A 68 -12.225 -16.118 6.120 1.00 0.00 C ATOM 962 C SER A 68 -12.581 -15.822 7.574 1.00 0.00 C ATOM 963 O SER A 68 -12.939 -16.721 8.333 1.00 0.00 O ATOM 964 CB SER A 68 -10.759 -15.766 5.860 1.00 0.00 C ATOM 965 OG SER A 68 -9.902 -16.817 6.272 1.00 0.00 O ATOM 0 H SER A 68 -12.773 -14.431 5.001 1.00 0.00 H new ATOM 0 HA SER A 68 -12.374 -17.182 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.612 -15.568 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.501 -14.851 6.394 1.00 0.00 H new ATOM 0 HG SER A 68 -8.971 -16.569 6.094 1.00 0.00 H new ATOM 971 N GLY A 69 -12.480 -14.552 7.954 1.00 0.00 N ATOM 972 CA GLY A 69 -12.794 -14.158 9.315 1.00 0.00 C ATOM 973 C GLY A 69 -11.764 -13.210 9.897 1.00 0.00 C ATOM 974 O GLY A 69 -10.652 -13.079 9.386 1.00 0.00 O ATOM 0 H GLY A 69 -12.186 -13.789 7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.774 -13.681 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.859 -15.048 9.941 1.00 0.00 H new ATOM 978 N PRO A 70 -12.134 -12.527 10.990 1.00 0.00 N ATOM 979 CA PRO A 70 -11.248 -11.573 11.665 1.00 0.00 C ATOM 980 C PRO A 70 -10.084 -12.262 12.369 1.00 0.00 C ATOM 981 O PRO A 70 -10.281 -13.016 13.322 1.00 0.00 O ATOM 982 CB PRO A 70 -12.167 -10.898 12.686 1.00 0.00 C ATOM 983 CG PRO A 70 -13.242 -11.895 12.947 1.00 0.00 C ATOM 984 CD PRO A 70 -13.445 -12.633 11.653 1.00 0.00 C ATOM 0 HA PRO A 70 -10.785 -10.879 10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.628 -10.649 13.600 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.577 -9.967 12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.954 -12.579 13.745 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.162 -11.403 13.264 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -13.726 -13.672 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.236 -12.183 11.053 1.00 0.00 H new ATOM 992 N SER A 71 -8.871 -11.997 11.894 1.00 0.00 N ATOM 993 CA SER A 71 -7.675 -12.594 12.476 1.00 0.00 C ATOM 994 C SER A 71 -7.265 -11.859 13.749 1.00 0.00 C ATOM 995 O SER A 71 -7.072 -12.472 14.799 1.00 0.00 O ATOM 996 CB SER A 71 -6.525 -12.570 11.468 1.00 0.00 C ATOM 997 OG SER A 71 -6.227 -13.876 11.004 1.00 0.00 O ATOM 0 H SER A 71 -8.691 -11.373 11.108 1.00 0.00 H new ATOM 0 HA SER A 71 -7.903 -13.629 12.732 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.790 -11.932 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.640 -12.134 11.931 1.00 0.00 H new ATOM 0 HG SER A 71 -5.490 -13.834 10.360 1.00 0.00 H new ATOM 1003 N SER A 72 -7.135 -10.540 13.647 1.00 0.00 N ATOM 1004 CA SER A 72 -6.744 -9.720 14.788 1.00 0.00 C ATOM 1005 C SER A 72 -7.051 -8.248 14.530 1.00 0.00 C ATOM 1006 O SER A 72 -7.069 -7.797 13.385 1.00 0.00 O ATOM 1007 CB SER A 72 -5.254 -9.897 15.085 1.00 0.00 C ATOM 1008 OG SER A 72 -4.461 -9.434 14.006 1.00 0.00 O ATOM 0 H SER A 72 -7.295 -10.016 12.786 1.00 0.00 H new ATOM 0 HA SER A 72 -7.321 -10.048 15.653 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.993 -9.352 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.040 -10.949 15.273 1.00 0.00 H new ATOM 0 HG SER A 72 -3.513 -9.556 14.221 1.00 0.00 H new ATOM 1014 N GLY A 73 -7.293 -7.503 15.604 1.00 0.00 N ATOM 1015 CA GLY A 73 -7.597 -6.089 15.473 1.00 0.00 C ATOM 1016 C GLY A 73 -6.518 -5.207 16.070 1.00 0.00 C ATOM 1017 O GLY A 73 -6.280 -5.284 17.275 1.00 0.00 O ATOM 0 H GLY A 73 -7.284 -7.853 16.562 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.721 -5.843 14.418 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.547 -5.878 15.963 1.00 0.00 H new TER 1021 GLY A 73 HETATM 1022 ZN ZN A 201 10.163 4.985 1.363 1.00 0.00 ZN HETATM 1023 ZN ZN A 401 -1.370 -6.040 -7.838 1.00 0.00 ZN