USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 402 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 GLY N :NH3+ -122:sc= 0.108 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.214 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 0.776 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= 0.593 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.62! K(o=-2.6!,f=-1.6) USER MOD Single : A 19 MET CE :methyl 141:sc= -0.0162 (180deg=-1.88) USER MOD Single : A 22 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.38) USER MOD Single : A 23 MET CE :methyl 142:sc= 0 (180deg=-0.0629) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.75! C(o=-1.8!,f=-4.7!) USER MOD Single : A 38 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.7) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.0019 (180deg=-0.259) USER MOD Single : A 44 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-4.58e-05 K(o=-4.6e-05,f=-1.3) USER MOD Single : A 49 MET CE :methyl -167:sc= 0 (180deg=-0.0716) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0677 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.393 3.619 12.131 1.00 0.00 N ATOM 2 CA GLY A 1 -19.786 3.005 13.388 1.00 0.00 C ATOM 3 C GLY A 1 -18.767 3.308 14.488 1.00 0.00 C ATOM 4 O GLY A 1 -17.755 3.961 14.239 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.147 4.258 11.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.516 4.160 12.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.235 2.879 11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.768 3.373 13.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.876 1.927 13.258 1.00 0.00 H new ATOM 8 N SER A 2 -19.071 2.821 15.682 1.00 0.00 N ATOM 9 CA SER A 2 -18.195 3.033 16.822 1.00 0.00 C ATOM 10 C SER A 2 -18.399 1.920 17.852 1.00 0.00 C ATOM 11 O SER A 2 -19.421 1.881 18.535 1.00 0.00 O ATOM 12 CB SER A 2 -18.443 4.400 17.461 1.00 0.00 C ATOM 13 OG SER A 2 -19.827 4.630 17.710 1.00 0.00 O ATOM 0 H SER A 2 -19.912 2.280 15.885 1.00 0.00 H new ATOM 0 HA SER A 2 -17.164 3.009 16.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.890 4.468 18.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.058 5.182 16.806 1.00 0.00 H new ATOM 0 HG SER A 2 -20.230 3.822 18.091 1.00 0.00 H new ATOM 19 N SER A 3 -17.409 1.043 17.932 1.00 0.00 N ATOM 20 CA SER A 3 -17.467 -0.068 18.868 1.00 0.00 C ATOM 21 C SER A 3 -16.052 -0.524 19.227 1.00 0.00 C ATOM 22 O SER A 3 -15.659 -0.483 20.392 1.00 0.00 O ATOM 23 CB SER A 3 -18.271 -1.234 18.289 1.00 0.00 C ATOM 24 OG SER A 3 -18.959 -1.963 19.302 1.00 0.00 O ATOM 0 H SER A 3 -16.562 1.079 17.364 1.00 0.00 H new ATOM 0 HA SER A 3 -17.972 0.272 19.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.991 -0.854 17.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.601 -1.905 17.751 1.00 0.00 H new ATOM 0 HG SER A 3 -19.462 -2.698 18.892 1.00 0.00 H new ATOM 30 N GLY A 4 -15.324 -0.949 18.204 1.00 0.00 N ATOM 31 CA GLY A 4 -13.961 -1.412 18.397 1.00 0.00 C ATOM 32 C GLY A 4 -12.953 -0.373 17.903 1.00 0.00 C ATOM 33 O GLY A 4 -13.325 0.757 17.588 1.00 0.00 O ATOM 0 H GLY A 4 -15.653 -0.982 17.239 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.789 -1.617 19.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.813 -2.350 17.862 1.00 0.00 H new ATOM 37 N SER A 5 -11.697 -0.791 17.852 1.00 0.00 N ATOM 38 CA SER A 5 -10.633 0.090 17.402 1.00 0.00 C ATOM 39 C SER A 5 -9.483 -0.734 16.819 1.00 0.00 C ATOM 40 O SER A 5 -8.971 -1.642 17.473 1.00 0.00 O ATOM 41 CB SER A 5 -10.127 0.972 18.545 1.00 0.00 C ATOM 42 OG SER A 5 -9.087 1.850 18.122 1.00 0.00 O ATOM 0 H SER A 5 -11.392 -1.728 18.115 1.00 0.00 H new ATOM 0 HA SER A 5 -11.035 0.742 16.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.955 1.557 18.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.762 0.341 19.355 1.00 0.00 H new ATOM 0 HG SER A 5 -8.792 2.397 18.880 1.00 0.00 H new ATOM 48 N SER A 6 -9.109 -0.388 15.596 1.00 0.00 N ATOM 49 CA SER A 6 -8.029 -1.084 14.918 1.00 0.00 C ATOM 50 C SER A 6 -7.470 -0.212 13.792 1.00 0.00 C ATOM 51 O SER A 6 -8.219 0.491 13.116 1.00 0.00 O ATOM 52 CB SER A 6 -8.504 -2.428 14.362 1.00 0.00 C ATOM 53 OG SER A 6 -8.523 -3.442 15.363 1.00 0.00 O ATOM 0 H SER A 6 -9.535 0.366 15.057 1.00 0.00 H new ATOM 0 HA SER A 6 -7.239 -1.280 15.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.503 -2.314 13.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.849 -2.735 13.547 1.00 0.00 H new ATOM 0 HG SER A 6 -8.625 -3.028 16.246 1.00 0.00 H new ATOM 59 N GLY A 7 -6.158 -0.286 13.625 1.00 0.00 N ATOM 60 CA GLY A 7 -5.489 0.488 12.593 1.00 0.00 C ATOM 61 C GLY A 7 -4.767 -0.428 11.602 1.00 0.00 C ATOM 62 O GLY A 7 -5.385 -0.966 10.685 1.00 0.00 O ATOM 0 H GLY A 7 -5.540 -0.871 14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.218 1.101 12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.773 1.170 13.052 1.00 0.00 H new ATOM 66 N CYS A 8 -3.469 -0.576 11.822 1.00 0.00 N ATOM 67 CA CYS A 8 -2.656 -1.417 10.960 1.00 0.00 C ATOM 68 C CYS A 8 -3.361 -2.766 10.801 1.00 0.00 C ATOM 69 O CYS A 8 -4.378 -3.018 11.444 1.00 0.00 O ATOM 70 CB CYS A 8 -1.234 -1.577 11.502 1.00 0.00 C ATOM 71 SG CYS A 8 -1.272 -2.452 13.109 1.00 0.00 S ATOM 0 H CYS A 8 -2.960 -0.128 12.584 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.551 -0.945 9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.625 -2.134 10.790 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.769 -0.598 11.622 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.060 -2.585 13.560 1.00 0.00 H new ATOM 77 N SER A 9 -2.791 -3.598 9.941 1.00 0.00 N ATOM 78 CA SER A 9 -3.352 -4.915 9.690 1.00 0.00 C ATOM 79 C SER A 9 -2.458 -5.688 8.719 1.00 0.00 C ATOM 80 O SER A 9 -1.749 -5.089 7.912 1.00 0.00 O ATOM 81 CB SER A 9 -4.774 -4.811 9.135 1.00 0.00 C ATOM 82 OG SER A 9 -5.758 -5.065 10.134 1.00 0.00 O ATOM 0 H SER A 9 -1.947 -3.386 9.410 1.00 0.00 H new ATOM 0 HA SER A 9 -3.399 -5.453 10.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.929 -3.815 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.897 -5.521 8.317 1.00 0.00 H new ATOM 0 HG SER A 9 -5.614 -4.465 10.895 1.00 0.00 H new ATOM 88 N GLU A 10 -2.520 -7.007 8.830 1.00 0.00 N ATOM 89 CA GLU A 10 -1.725 -7.868 7.972 1.00 0.00 C ATOM 90 C GLU A 10 -2.466 -8.142 6.661 1.00 0.00 C ATOM 91 O GLU A 10 -1.840 -8.349 5.622 1.00 0.00 O ATOM 92 CB GLU A 10 -1.370 -9.175 8.684 1.00 0.00 C ATOM 93 CG GLU A 10 0.138 -9.428 8.646 1.00 0.00 C ATOM 94 CD GLU A 10 0.763 -9.230 10.028 1.00 0.00 C ATOM 95 OE1 GLU A 10 0.263 -9.876 10.975 1.00 0.00 O ATOM 96 OE2 GLU A 10 1.726 -8.438 10.108 1.00 0.00 O ATOM 0 H GLU A 10 -3.109 -7.500 9.501 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.792 -7.354 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.709 -9.133 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.894 -10.005 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.331 -10.443 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.606 -8.751 7.931 1.00 0.00 H new ATOM 103 N GLU A 11 -3.787 -8.134 6.753 1.00 0.00 N ATOM 104 CA GLU A 11 -4.620 -8.378 5.587 1.00 0.00 C ATOM 105 C GLU A 11 -4.473 -7.235 4.581 1.00 0.00 C ATOM 106 O GLU A 11 -4.158 -7.467 3.415 1.00 0.00 O ATOM 107 CB GLU A 11 -6.083 -8.571 5.990 1.00 0.00 C ATOM 108 CG GLU A 11 -6.746 -9.660 5.144 1.00 0.00 C ATOM 109 CD GLU A 11 -6.978 -10.928 5.967 1.00 0.00 C ATOM 110 OE1 GLU A 11 -8.016 -10.971 6.663 1.00 0.00 O ATOM 111 OE2 GLU A 11 -6.113 -11.827 5.882 1.00 0.00 O ATOM 0 H GLU A 11 -4.302 -7.962 7.617 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.285 -9.299 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.141 -8.839 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.624 -7.632 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.697 -9.295 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.117 -9.890 4.284 1.00 0.00 H new ATOM 118 N ASP A 12 -4.710 -6.026 5.069 1.00 0.00 N ATOM 119 CA ASP A 12 -4.608 -4.847 4.227 1.00 0.00 C ATOM 120 C ASP A 12 -3.214 -4.793 3.598 1.00 0.00 C ATOM 121 O ASP A 12 -3.080 -4.558 2.398 1.00 0.00 O ATOM 122 CB ASP A 12 -4.808 -3.568 5.043 1.00 0.00 C ATOM 123 CG ASP A 12 -6.225 -2.992 5.006 1.00 0.00 C ATOM 124 OD1 ASP A 12 -7.065 -3.597 4.306 1.00 0.00 O ATOM 125 OD2 ASP A 12 -6.436 -1.960 5.679 1.00 0.00 O ATOM 0 H ASP A 12 -4.972 -5.838 6.037 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.382 -4.912 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.542 -3.771 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.114 -2.810 4.679 1.00 0.00 H new ATOM 130 N LEU A 13 -2.213 -5.015 4.436 1.00 0.00 N ATOM 131 CA LEU A 13 -0.834 -4.995 3.977 1.00 0.00 C ATOM 132 C LEU A 13 -0.665 -6.004 2.840 1.00 0.00 C ATOM 133 O LEU A 13 -0.493 -5.619 1.684 1.00 0.00 O ATOM 134 CB LEU A 13 0.124 -5.222 5.149 1.00 0.00 C ATOM 135 CG LEU A 13 1.122 -4.096 5.426 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.548 -4.091 6.896 1.00 0.00 C ATOM 137 CD2 LEU A 13 2.323 -4.182 4.482 1.00 0.00 C ATOM 0 H LEU A 13 -2.329 -5.210 5.431 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.581 -4.015 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.468 -5.386 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.683 -6.139 4.963 1.00 0.00 H new ATOM 0 HG LEU A 13 0.627 -3.145 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.257 -3.281 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.672 -3.945 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.018 -5.043 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.017 -3.370 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.828 -5.138 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.981 -4.099 3.450 1.00 0.00 H new ATOM 149 N LYS A 14 -0.720 -7.276 3.207 1.00 0.00 N ATOM 150 CA LYS A 14 -0.575 -8.343 2.232 1.00 0.00 C ATOM 151 C LYS A 14 -1.305 -7.955 0.945 1.00 0.00 C ATOM 152 O LYS A 14 -0.884 -8.329 -0.149 1.00 0.00 O ATOM 153 CB LYS A 14 -1.038 -9.676 2.824 1.00 0.00 C ATOM 154 CG LYS A 14 0.149 -10.613 3.059 1.00 0.00 C ATOM 155 CD LYS A 14 0.646 -10.517 4.503 1.00 0.00 C ATOM 156 CE LYS A 14 1.632 -11.643 4.819 1.00 0.00 C ATOM 157 NZ LYS A 14 1.010 -12.638 5.720 1.00 0.00 N ATOM 0 H LYS A 14 -0.863 -7.591 4.166 1.00 0.00 H new ATOM 0 HA LYS A 14 0.475 -8.483 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.558 -9.499 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.752 -10.149 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.144 -11.639 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.958 -10.359 2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.127 -9.552 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.201 -10.568 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.948 -12.128 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.527 -11.231 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.693 -13.396 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.730 -12.175 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.169 -13.044 5.261 1.00 0.00 H new ATOM 171 N ALA A 15 -2.387 -7.209 1.118 1.00 0.00 N ATOM 172 CA ALA A 15 -3.179 -6.766 -0.016 1.00 0.00 C ATOM 173 C ALA A 15 -2.334 -5.841 -0.894 1.00 0.00 C ATOM 174 O ALA A 15 -2.134 -6.113 -2.077 1.00 0.00 O ATOM 175 CB ALA A 15 -4.455 -6.088 0.486 1.00 0.00 C ATOM 0 H ALA A 15 -2.733 -6.901 2.027 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.480 -7.616 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.049 -5.756 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.034 -6.796 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.192 -5.229 1.103 1.00 0.00 H new ATOM 181 N ILE A 16 -1.860 -4.766 -0.281 1.00 0.00 N ATOM 182 CA ILE A 16 -1.041 -3.799 -0.991 1.00 0.00 C ATOM 183 C ILE A 16 0.157 -4.515 -1.619 1.00 0.00 C ATOM 184 O ILE A 16 0.474 -4.294 -2.786 1.00 0.00 O ATOM 185 CB ILE A 16 -0.651 -2.644 -0.066 1.00 0.00 C ATOM 186 CG1 ILE A 16 -1.893 -1.941 0.485 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.293 -1.670 -0.773 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.551 -1.120 1.730 1.00 0.00 C ATOM 0 H ILE A 16 -2.028 -4.544 0.700 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.606 -3.347 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.109 -3.056 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.316 -1.290 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.655 -2.681 0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.555 -0.859 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.198 -2.196 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.200 -1.260 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.451 -0.631 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.151 -1.778 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.807 -0.366 1.475 1.00 0.00 H new ATOM 200 N GLN A 17 0.788 -5.359 -0.816 1.00 0.00 N ATOM 201 CA GLN A 17 1.944 -6.109 -1.278 1.00 0.00 C ATOM 202 C GLN A 17 1.671 -6.707 -2.659 1.00 0.00 C ATOM 203 O GLN A 17 2.469 -6.543 -3.580 1.00 0.00 O ATOM 204 CB GLN A 17 2.328 -7.198 -0.274 1.00 0.00 C ATOM 205 CG GLN A 17 3.760 -7.002 0.226 1.00 0.00 C ATOM 206 CD GLN A 17 4.718 -7.984 -0.452 1.00 0.00 C ATOM 207 OE1 GLN A 17 4.898 -9.112 -0.023 1.00 0.00 O ATOM 208 NE2 GLN A 17 5.319 -7.494 -1.532 1.00 0.00 N ATOM 0 H GLN A 17 0.521 -5.540 0.152 1.00 0.00 H new ATOM 0 HA GLN A 17 2.788 -5.424 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.639 -7.179 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.233 -8.178 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.081 -5.980 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.794 -7.143 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.123 -6.541 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.976 -8.072 -2.056 1.00 0.00 H new ATOM 217 N ASP A 18 0.539 -7.390 -2.760 1.00 0.00 N ATOM 218 CA ASP A 18 0.151 -8.014 -4.013 1.00 0.00 C ATOM 219 C ASP A 18 0.139 -6.959 -5.121 1.00 0.00 C ATOM 220 O ASP A 18 0.612 -7.211 -6.228 1.00 0.00 O ATOM 221 CB ASP A 18 -1.254 -8.614 -3.917 1.00 0.00 C ATOM 222 CG ASP A 18 -1.817 -9.154 -5.233 1.00 0.00 C ATOM 223 OD1 ASP A 18 -2.103 -8.315 -6.115 1.00 0.00 O ATOM 224 OD2 ASP A 18 -1.949 -10.393 -5.328 1.00 0.00 O ATOM 0 H ASP A 18 -0.121 -7.524 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 18 0.868 -8.805 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.238 -9.423 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.933 -7.852 -3.534 1.00 0.00 H new ATOM 229 N MET A 19 -0.406 -5.799 -4.785 1.00 0.00 N ATOM 230 CA MET A 19 -0.485 -4.705 -5.737 1.00 0.00 C ATOM 231 C MET A 19 0.909 -4.178 -6.084 1.00 0.00 C ATOM 232 O MET A 19 1.184 -3.849 -7.237 1.00 0.00 O ATOM 233 CB MET A 19 -1.327 -3.572 -5.146 1.00 0.00 C ATOM 234 CG MET A 19 -2.808 -3.953 -5.107 1.00 0.00 C ATOM 235 SD MET A 19 -3.727 -2.737 -4.178 1.00 0.00 S ATOM 236 CE MET A 19 -3.685 -1.372 -5.327 1.00 0.00 C ATOM 0 H MET A 19 -0.797 -5.593 -3.866 1.00 0.00 H new ATOM 0 HA MET A 19 -0.950 -5.076 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.980 -3.344 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.196 -2.668 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.201 -4.021 -6.121 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.927 -4.936 -4.652 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.647 -0.859 -5.318 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.899 -0.675 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.484 -1.747 -6.330 1.00 0.00 H new ATOM 246 N PHE A 20 1.752 -4.113 -5.064 1.00 0.00 N ATOM 247 CA PHE A 20 3.111 -3.631 -5.246 1.00 0.00 C ATOM 248 C PHE A 20 4.121 -4.581 -4.600 1.00 0.00 C ATOM 249 O PHE A 20 4.646 -4.298 -3.524 1.00 0.00 O ATOM 250 CB PHE A 20 3.199 -2.268 -4.557 1.00 0.00 C ATOM 251 CG PHE A 20 2.089 -1.295 -4.960 1.00 0.00 C ATOM 252 CD1 PHE A 20 2.036 -0.812 -6.231 1.00 0.00 C ATOM 253 CD2 PHE A 20 1.156 -0.912 -4.048 1.00 0.00 C ATOM 254 CE1 PHE A 20 1.006 0.091 -6.605 1.00 0.00 C ATOM 255 CE2 PHE A 20 0.126 -0.009 -4.422 1.00 0.00 C ATOM 256 CZ PHE A 20 0.073 0.474 -5.692 1.00 0.00 C ATOM 0 H PHE A 20 1.520 -4.386 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 20 3.342 -3.565 -6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.165 -2.415 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.164 -1.817 -4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.777 -1.115 -6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.198 -1.295 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.963 0.474 -7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.615 0.294 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.710 1.162 -5.976 1.00 0.00 H new ATOM 266 N PRO A 21 4.370 -5.719 -5.302 1.00 0.00 N ATOM 267 CA PRO A 21 5.308 -6.713 -4.808 1.00 0.00 C ATOM 268 C PRO A 21 6.752 -6.243 -4.992 1.00 0.00 C ATOM 269 O PRO A 21 7.583 -6.418 -4.102 1.00 0.00 O ATOM 270 CB PRO A 21 4.990 -7.977 -5.592 1.00 0.00 C ATOM 271 CG PRO A 21 4.208 -7.524 -6.814 1.00 0.00 C ATOM 272 CD PRO A 21 3.767 -6.089 -6.580 1.00 0.00 C ATOM 0 HA PRO A 21 5.210 -6.889 -3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.903 -8.496 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.406 -8.673 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.826 -7.592 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.343 -8.168 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.107 -5.434 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.681 -6.010 -6.543 1.00 0.00 H new ATOM 280 N ASN A 22 7.007 -5.656 -6.152 1.00 0.00 N ATOM 281 CA ASN A 22 8.336 -5.160 -6.463 1.00 0.00 C ATOM 282 C ASN A 22 8.843 -4.306 -5.299 1.00 0.00 C ATOM 283 O ASN A 22 9.981 -4.463 -4.859 1.00 0.00 O ATOM 284 CB ASN A 22 8.317 -4.284 -7.718 1.00 0.00 C ATOM 285 CG ASN A 22 8.334 -5.141 -8.985 1.00 0.00 C ATOM 286 OD1 ASN A 22 9.099 -6.082 -9.120 1.00 0.00 O ATOM 287 ND2 ASN A 22 7.449 -4.765 -9.904 1.00 0.00 N ATOM 0 H ASN A 22 6.315 -5.513 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 22 8.985 -6.019 -6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.427 -3.654 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.180 -3.618 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.381 -5.274 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.838 -3.968 -9.727 1.00 0.00 H new ATOM 294 N MET A 23 7.974 -3.422 -4.832 1.00 0.00 N ATOM 295 CA MET A 23 8.319 -2.544 -3.727 1.00 0.00 C ATOM 296 C MET A 23 8.774 -3.349 -2.509 1.00 0.00 C ATOM 297 O MET A 23 8.839 -4.577 -2.560 1.00 0.00 O ATOM 298 CB MET A 23 7.104 -1.693 -3.353 1.00 0.00 C ATOM 299 CG MET A 23 6.858 -0.600 -4.394 1.00 0.00 C ATOM 300 SD MET A 23 7.927 0.794 -4.080 1.00 0.00 S ATOM 301 CE MET A 23 6.998 1.615 -2.796 1.00 0.00 C ATOM 0 H MET A 23 7.031 -3.295 -5.199 1.00 0.00 H new ATOM 0 HA MET A 23 9.141 -1.901 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.222 -2.328 -3.272 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.261 -1.239 -2.374 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.042 -0.991 -5.395 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.815 -0.284 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.685 2.023 -2.054 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.412 2.424 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.329 0.900 -2.317 1.00 0.00 H new ATOM 311 N ASP A 24 9.077 -2.626 -1.441 1.00 0.00 N ATOM 312 CA ASP A 24 9.524 -3.257 -0.211 1.00 0.00 C ATOM 313 C ASP A 24 8.350 -3.350 0.766 1.00 0.00 C ATOM 314 O ASP A 24 7.578 -2.402 0.905 1.00 0.00 O ATOM 315 CB ASP A 24 10.632 -2.440 0.457 1.00 0.00 C ATOM 316 CG ASP A 24 11.867 -2.194 -0.412 1.00 0.00 C ATOM 317 OD1 ASP A 24 12.293 -3.161 -1.080 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.357 -1.045 -0.389 1.00 0.00 O ATOM 0 H ASP A 24 9.022 -1.608 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 24 9.907 -4.247 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.221 -1.477 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.943 -2.953 1.367 1.00 0.00 H new ATOM 323 N GLN A 25 8.252 -4.499 1.417 1.00 0.00 N ATOM 324 CA GLN A 25 7.186 -4.727 2.377 1.00 0.00 C ATOM 325 C GLN A 25 7.269 -3.708 3.515 1.00 0.00 C ATOM 326 O GLN A 25 6.323 -2.960 3.753 1.00 0.00 O ATOM 327 CB GLN A 25 7.231 -6.158 2.917 1.00 0.00 C ATOM 328 CG GLN A 25 6.686 -7.150 1.888 1.00 0.00 C ATOM 329 CD GLN A 25 7.563 -8.402 1.814 1.00 0.00 C ATOM 330 OE1 GLN A 25 8.628 -8.410 1.219 1.00 0.00 O ATOM 331 NE2 GLN A 25 7.058 -9.455 2.450 1.00 0.00 N ATOM 0 H GLN A 25 8.894 -5.283 1.298 1.00 0.00 H new ATOM 0 HA GLN A 25 6.231 -4.596 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.257 -6.422 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.646 -6.223 3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.667 -7.431 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.641 -6.675 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.160 -9.380 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.568 -10.338 2.459 1.00 0.00 H new ATOM 340 N GLU A 26 8.410 -3.713 4.188 1.00 0.00 N ATOM 341 CA GLU A 26 8.629 -2.798 5.296 1.00 0.00 C ATOM 342 C GLU A 26 8.141 -1.395 4.930 1.00 0.00 C ATOM 343 O GLU A 26 7.711 -0.637 5.798 1.00 0.00 O ATOM 344 CB GLU A 26 10.103 -2.776 5.705 1.00 0.00 C ATOM 345 CG GLU A 26 10.249 -2.794 7.228 1.00 0.00 C ATOM 346 CD GLU A 26 10.438 -1.379 7.778 1.00 0.00 C ATOM 347 OE1 GLU A 26 11.611 -0.957 7.868 1.00 0.00 O ATOM 348 OE2 GLU A 26 9.405 -0.751 8.095 1.00 0.00 O ATOM 0 H GLU A 26 9.193 -4.336 3.988 1.00 0.00 H new ATOM 0 HA GLU A 26 8.053 -3.150 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.616 -3.637 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.583 -1.885 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.365 -3.247 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.101 -3.413 7.508 1.00 0.00 H new ATOM 355 N VAL A 27 8.225 -1.091 3.643 1.00 0.00 N ATOM 356 CA VAL A 27 7.797 0.208 3.151 1.00 0.00 C ATOM 357 C VAL A 27 6.270 0.239 3.067 1.00 0.00 C ATOM 358 O VAL A 27 5.632 1.130 3.625 1.00 0.00 O ATOM 359 CB VAL A 27 8.476 0.511 1.814 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.925 1.799 1.199 1.00 0.00 C ATOM 361 CG2 VAL A 27 9.996 0.586 1.975 1.00 0.00 C ATOM 0 H VAL A 27 8.583 -1.722 2.926 1.00 0.00 H new ATOM 0 HA VAL A 27 8.100 0.996 3.840 1.00 0.00 H new ATOM 0 HB VAL A 27 8.252 -0.309 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.424 1.991 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.853 1.692 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.104 2.632 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.454 0.802 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.248 1.376 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.370 -0.367 2.348 1.00 0.00 H new ATOM 371 N ILE A 28 5.728 -0.746 2.365 1.00 0.00 N ATOM 372 CA ILE A 28 4.287 -0.842 2.201 1.00 0.00 C ATOM 373 C ILE A 28 3.617 -0.798 3.576 1.00 0.00 C ATOM 374 O ILE A 28 2.479 -0.349 3.701 1.00 0.00 O ATOM 375 CB ILE A 28 3.924 -2.081 1.380 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.314 -1.899 -0.089 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.443 -2.430 1.540 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.547 -3.252 -0.765 1.00 0.00 C ATOM 0 H ILE A 28 6.260 -1.484 1.904 1.00 0.00 H new ATOM 0 HA ILE A 28 3.910 0.010 1.635 1.00 0.00 H new ATOM 0 HB ILE A 28 4.497 -2.925 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.527 -1.357 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.218 -1.294 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.211 -3.314 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.228 -2.631 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.833 -1.594 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.823 -3.095 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.351 -3.781 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.634 -3.845 -0.717 1.00 0.00 H new ATOM 390 N ARG A 29 4.352 -1.270 4.572 1.00 0.00 N ATOM 391 CA ARG A 29 3.843 -1.289 5.933 1.00 0.00 C ATOM 392 C ARG A 29 4.101 0.056 6.616 1.00 0.00 C ATOM 393 O ARG A 29 3.366 0.448 7.520 1.00 0.00 O ATOM 394 CB ARG A 29 4.500 -2.403 6.751 1.00 0.00 C ATOM 395 CG ARG A 29 4.589 -2.018 8.229 1.00 0.00 C ATOM 396 CD ARG A 29 4.853 -3.248 9.101 1.00 0.00 C ATOM 397 NE ARG A 29 6.098 -3.059 9.878 1.00 0.00 N ATOM 398 CZ ARG A 29 6.254 -2.131 10.832 1.00 0.00 C ATOM 399 NH1 ARG A 29 5.245 -1.302 11.132 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.419 -2.032 11.487 1.00 0.00 N ATOM 0 H ARG A 29 5.296 -1.642 4.464 1.00 0.00 H new ATOM 0 HA ARG A 29 2.770 -1.475 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.926 -3.324 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.499 -2.604 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.387 -1.289 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.661 -1.539 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.014 -3.412 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.936 -4.137 8.475 1.00 0.00 H new ATOM 0 HE ARG A 29 6.887 -3.673 9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.358 -1.377 10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.364 -0.596 11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.187 -2.663 11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.537 -1.325 12.213 1.00 0.00 H new ATOM 414 N SER A 30 5.149 0.725 6.157 1.00 0.00 N ATOM 415 CA SER A 30 5.513 2.017 6.712 1.00 0.00 C ATOM 416 C SER A 30 4.509 3.081 6.263 1.00 0.00 C ATOM 417 O SER A 30 4.451 4.167 6.838 1.00 0.00 O ATOM 418 CB SER A 30 6.930 2.416 6.295 1.00 0.00 C ATOM 419 OG SER A 30 7.730 2.788 7.414 1.00 0.00 O ATOM 0 H SER A 30 5.757 0.396 5.407 1.00 0.00 H new ATOM 0 HA SER A 30 5.491 1.941 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.402 1.584 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.881 3.248 5.592 1.00 0.00 H new ATOM 0 HG SER A 30 8.628 3.034 7.107 1.00 0.00 H new ATOM 425 N VAL A 31 3.742 2.732 5.240 1.00 0.00 N ATOM 426 CA VAL A 31 2.744 3.643 4.708 1.00 0.00 C ATOM 427 C VAL A 31 1.398 3.367 5.382 1.00 0.00 C ATOM 428 O VAL A 31 0.773 4.277 5.925 1.00 0.00 O ATOM 429 CB VAL A 31 2.685 3.524 3.184 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.544 4.366 2.612 1.00 0.00 C ATOM 431 CG2 VAL A 31 4.024 3.912 2.552 1.00 0.00 C ATOM 0 H VAL A 31 3.792 1.830 4.766 1.00 0.00 H new ATOM 0 HA VAL A 31 3.013 4.676 4.929 1.00 0.00 H new ATOM 0 HB VAL A 31 2.487 2.481 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.525 4.263 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.596 4.023 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.697 5.413 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.955 3.819 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.265 4.943 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.807 3.251 2.924 1.00 0.00 H new ATOM 441 N LEU A 32 0.990 2.108 5.323 1.00 0.00 N ATOM 442 CA LEU A 32 -0.270 1.701 5.921 1.00 0.00 C ATOM 443 C LEU A 32 -0.326 2.192 7.369 1.00 0.00 C ATOM 444 O LEU A 32 -1.362 2.671 7.827 1.00 0.00 O ATOM 445 CB LEU A 32 -0.470 0.191 5.775 1.00 0.00 C ATOM 446 CG LEU A 32 -1.545 -0.433 6.667 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.918 -0.368 5.997 1.00 0.00 C ATOM 448 CD2 LEU A 32 -1.167 -1.861 7.064 1.00 0.00 C ATOM 0 H LEU A 32 1.510 1.356 4.870 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.107 2.162 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.719 -0.024 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.479 -0.303 5.984 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.608 0.150 7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.664 -0.818 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.182 0.673 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.888 -0.912 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.948 -2.281 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.060 -2.472 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.224 -1.849 7.610 1.00 0.00 H new ATOM 460 N GLU A 33 0.803 2.055 8.050 1.00 0.00 N ATOM 461 CA GLU A 33 0.896 2.478 9.437 1.00 0.00 C ATOM 462 C GLU A 33 0.855 4.005 9.530 1.00 0.00 C ATOM 463 O GLU A 33 0.189 4.559 10.403 1.00 0.00 O ATOM 464 CB GLU A 33 2.160 1.923 10.096 1.00 0.00 C ATOM 465 CG GLU A 33 1.827 0.748 11.017 1.00 0.00 C ATOM 466 CD GLU A 33 1.877 1.172 12.487 1.00 0.00 C ATOM 467 OE1 GLU A 33 0.878 1.772 12.939 1.00 0.00 O ATOM 468 OE2 GLU A 33 2.914 0.887 13.124 1.00 0.00 O ATOM 0 H GLU A 33 1.661 1.657 7.667 1.00 0.00 H new ATOM 0 HA GLU A 33 0.038 2.077 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.863 1.600 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.652 2.710 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.835 0.365 10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.533 -0.065 10.845 1.00 0.00 H new ATOM 475 N ALA A 34 1.575 4.641 8.617 1.00 0.00 N ATOM 476 CA ALA A 34 1.628 6.093 8.585 1.00 0.00 C ATOM 477 C ALA A 34 0.283 6.638 8.102 1.00 0.00 C ATOM 478 O ALA A 34 -0.002 7.824 8.259 1.00 0.00 O ATOM 479 CB ALA A 34 2.792 6.541 7.699 1.00 0.00 C ATOM 0 H ALA A 34 2.126 4.178 7.894 1.00 0.00 H new ATOM 0 HA ALA A 34 1.805 6.493 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.832 7.630 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.727 6.152 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.647 6.160 6.688 1.00 0.00 H new ATOM 485 N GLN A 35 -0.508 5.746 7.524 1.00 0.00 N ATOM 486 CA GLN A 35 -1.816 6.123 7.017 1.00 0.00 C ATOM 487 C GLN A 35 -2.913 5.644 7.970 1.00 0.00 C ATOM 488 O GLN A 35 -3.997 5.261 7.532 1.00 0.00 O ATOM 489 CB GLN A 35 -2.037 5.574 5.606 1.00 0.00 C ATOM 490 CG GLN A 35 -1.104 6.253 4.601 1.00 0.00 C ATOM 491 CD GLN A 35 -1.452 7.734 4.444 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.606 8.128 4.420 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.392 8.531 4.340 1.00 0.00 N ATOM 0 H GLN A 35 -0.268 4.763 7.396 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.862 7.210 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.863 4.498 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.074 5.731 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.071 6.152 4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.179 5.754 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.548 8.136 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.519 9.537 4.233 1.00 0.00 H new ATOM 502 N ARG A 36 -2.594 5.680 9.255 1.00 0.00 N ATOM 503 CA ARG A 36 -3.539 5.254 10.273 1.00 0.00 C ATOM 504 C ARG A 36 -4.208 3.941 9.861 1.00 0.00 C ATOM 505 O ARG A 36 -5.375 3.711 10.171 1.00 0.00 O ATOM 506 CB ARG A 36 -4.615 6.316 10.504 1.00 0.00 C ATOM 507 CG ARG A 36 -4.080 7.460 11.368 1.00 0.00 C ATOM 508 CD ARG A 36 -4.616 8.809 10.884 1.00 0.00 C ATOM 509 NE ARG A 36 -3.490 9.706 10.540 1.00 0.00 N ATOM 510 CZ ARG A 36 -3.601 11.035 10.408 1.00 0.00 C ATOM 511 NH1 ARG A 36 -4.788 11.630 10.592 1.00 0.00 N ATOM 512 NH2 ARG A 36 -2.526 11.770 10.094 1.00 0.00 N ATOM 0 H ARG A 36 -1.694 5.998 9.615 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.984 5.107 11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.956 6.708 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.480 5.863 10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.369 7.302 12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.990 7.465 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.256 8.664 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.231 9.265 11.660 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.572 9.286 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.607 11.071 10.833 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.872 12.642 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.622 11.318 9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.611 12.781 9.994 1.00 0.00 H new ATOM 526 N GLY A 37 -3.438 3.115 9.168 1.00 0.00 N ATOM 527 CA GLY A 37 -3.942 1.831 8.710 1.00 0.00 C ATOM 528 C GLY A 37 -5.019 2.015 7.639 1.00 0.00 C ATOM 529 O GLY A 37 -6.010 1.286 7.618 1.00 0.00 O ATOM 0 H GLY A 37 -2.470 3.309 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.122 1.237 8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.354 1.276 9.553 1.00 0.00 H new ATOM 533 N ASN A 38 -4.790 2.994 6.776 1.00 0.00 N ATOM 534 CA ASN A 38 -5.728 3.283 5.705 1.00 0.00 C ATOM 535 C ASN A 38 -5.155 2.777 4.380 1.00 0.00 C ATOM 536 O ASN A 38 -4.541 3.539 3.634 1.00 0.00 O ATOM 537 CB ASN A 38 -5.967 4.788 5.573 1.00 0.00 C ATOM 538 CG ASN A 38 -7.294 5.073 4.866 1.00 0.00 C ATOM 539 OD1 ASN A 38 -7.784 4.289 4.071 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.845 6.237 5.199 1.00 0.00 N ATOM 0 H ASN A 38 -3.968 3.597 6.797 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.670 2.788 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.972 5.247 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.148 5.242 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.731 6.520 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.381 6.847 5.872 1.00 0.00 H new ATOM 547 N LYS A 39 -5.375 1.496 4.127 1.00 0.00 N ATOM 548 CA LYS A 39 -4.888 0.879 2.904 1.00 0.00 C ATOM 549 C LYS A 39 -5.099 1.842 1.734 1.00 0.00 C ATOM 550 O LYS A 39 -4.138 2.276 1.102 1.00 0.00 O ATOM 551 CB LYS A 39 -5.538 -0.490 2.699 1.00 0.00 C ATOM 552 CG LYS A 39 -4.801 -1.291 1.624 1.00 0.00 C ATOM 553 CD LYS A 39 -5.681 -2.417 1.078 1.00 0.00 C ATOM 554 CE LYS A 39 -6.818 -1.858 0.221 1.00 0.00 C ATOM 555 NZ LYS A 39 -8.117 -2.020 0.912 1.00 0.00 N ATOM 0 H LYS A 39 -5.884 0.867 4.748 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.817 0.690 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.532 -1.044 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.581 -0.362 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.506 -0.628 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.886 -1.710 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.075 -3.101 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.094 -2.994 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.639 -0.803 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.844 -2.373 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.770 -1.273 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.520 -2.950 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.974 -1.951 1.940 1.00 0.00 H new ATOM 569 N ASP A 40 -6.364 2.147 1.481 1.00 0.00 N ATOM 570 CA ASP A 40 -6.713 3.050 0.398 1.00 0.00 C ATOM 571 C ASP A 40 -5.720 4.214 0.369 1.00 0.00 C ATOM 572 O ASP A 40 -5.094 4.475 -0.657 1.00 0.00 O ATOM 573 CB ASP A 40 -8.115 3.630 0.595 1.00 0.00 C ATOM 574 CG ASP A 40 -8.936 3.789 -0.687 1.00 0.00 C ATOM 575 OD1 ASP A 40 -8.377 4.354 -1.651 1.00 0.00 O ATOM 576 OD2 ASP A 40 -10.103 3.341 -0.672 1.00 0.00 O ATOM 0 H ASP A 40 -7.159 1.785 2.007 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.683 2.486 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.664 2.987 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.024 4.605 1.074 1.00 0.00 H new ATOM 581 N ALA A 41 -5.607 4.882 1.508 1.00 0.00 N ATOM 582 CA ALA A 41 -4.701 6.012 1.626 1.00 0.00 C ATOM 583 C ALA A 41 -3.270 5.542 1.358 1.00 0.00 C ATOM 584 O ALA A 41 -2.494 6.243 0.710 1.00 0.00 O ATOM 585 CB ALA A 41 -4.856 6.649 3.008 1.00 0.00 C ATOM 0 H ALA A 41 -6.128 4.662 2.357 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.942 6.776 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.176 7.497 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.882 6.992 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.620 5.913 3.776 1.00 0.00 H new ATOM 591 N ALA A 42 -2.964 4.358 1.869 1.00 0.00 N ATOM 592 CA ALA A 42 -1.640 3.787 1.693 1.00 0.00 C ATOM 593 C ALA A 42 -1.364 3.600 0.200 1.00 0.00 C ATOM 594 O ALA A 42 -0.333 4.042 -0.305 1.00 0.00 O ATOM 595 CB ALA A 42 -1.542 2.474 2.472 1.00 0.00 C ATOM 0 H ALA A 42 -3.611 3.779 2.405 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.878 4.458 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.548 2.046 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.717 2.665 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.291 1.774 2.101 1.00 0.00 H new ATOM 601 N ILE A 43 -2.304 2.944 -0.466 1.00 0.00 N ATOM 602 CA ILE A 43 -2.175 2.694 -1.891 1.00 0.00 C ATOM 603 C ILE A 43 -1.921 4.017 -2.616 1.00 0.00 C ATOM 604 O ILE A 43 -0.922 4.162 -3.319 1.00 0.00 O ATOM 605 CB ILE A 43 -3.394 1.931 -2.413 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.399 0.489 -1.901 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.470 1.997 -3.940 1.00 0.00 C ATOM 608 CD1 ILE A 43 -4.779 -0.149 -2.073 1.00 0.00 C ATOM 0 H ILE A 43 -3.158 2.578 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.317 2.052 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.291 2.414 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.654 -0.095 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.115 0.472 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.345 1.447 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.548 3.037 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.571 1.554 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.755 -1.173 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.517 0.424 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.049 -0.152 -3.129 1.00 0.00 H new ATOM 620 N ASN A 44 -2.842 4.948 -2.421 1.00 0.00 N ATOM 621 CA ASN A 44 -2.731 6.255 -3.048 1.00 0.00 C ATOM 622 C ASN A 44 -1.338 6.828 -2.776 1.00 0.00 C ATOM 623 O ASN A 44 -0.712 7.395 -3.670 1.00 0.00 O ATOM 624 CB ASN A 44 -3.763 7.229 -2.478 1.00 0.00 C ATOM 625 CG ASN A 44 -3.523 8.648 -2.997 1.00 0.00 C ATOM 626 OD1 ASN A 44 -2.970 8.862 -4.063 1.00 0.00 O ATOM 627 ND2 ASN A 44 -3.968 9.604 -2.186 1.00 0.00 N ATOM 0 H ASN A 44 -3.669 4.824 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.904 6.133 -4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.766 6.903 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.712 7.223 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.855 10.585 -2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.422 9.356 -1.307 1.00 0.00 H new ATOM 634 N SER A 45 -0.895 6.661 -1.538 1.00 0.00 N ATOM 635 CA SER A 45 0.411 7.155 -1.138 1.00 0.00 C ATOM 636 C SER A 45 1.505 6.461 -1.952 1.00 0.00 C ATOM 637 O SER A 45 2.353 7.123 -2.549 1.00 0.00 O ATOM 638 CB SER A 45 0.646 6.940 0.359 1.00 0.00 C ATOM 639 OG SER A 45 1.291 8.057 0.964 1.00 0.00 O ATOM 0 H SER A 45 -1.418 6.190 -0.799 1.00 0.00 H new ATOM 0 HA SER A 45 0.446 8.227 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.309 6.761 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.254 6.047 0.506 1.00 0.00 H new ATOM 0 HG SER A 45 1.421 7.881 1.919 1.00 0.00 H new ATOM 645 N LEU A 46 1.450 5.138 -1.950 1.00 0.00 N ATOM 646 CA LEU A 46 2.426 4.347 -2.681 1.00 0.00 C ATOM 647 C LEU A 46 2.366 4.716 -4.165 1.00 0.00 C ATOM 648 O LEU A 46 3.393 5.009 -4.777 1.00 0.00 O ATOM 649 CB LEU A 46 2.219 2.856 -2.410 1.00 0.00 C ATOM 650 CG LEU A 46 2.434 2.401 -0.965 1.00 0.00 C ATOM 651 CD1 LEU A 46 1.470 1.272 -0.596 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.894 2.009 -0.725 1.00 0.00 C ATOM 0 H LEU A 46 0.745 4.593 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 46 3.435 4.573 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.204 2.591 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.896 2.293 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 46 2.213 3.241 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.644 0.968 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.443 1.621 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.635 0.422 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.020 1.690 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.166 1.191 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.538 2.866 -0.921 1.00 0.00 H new ATOM 664 N LEU A 47 1.155 4.691 -4.700 1.00 0.00 N ATOM 665 CA LEU A 47 0.948 5.019 -6.100 1.00 0.00 C ATOM 666 C LEU A 47 1.660 6.335 -6.421 1.00 0.00 C ATOM 667 O LEU A 47 2.499 6.388 -7.319 1.00 0.00 O ATOM 668 CB LEU A 47 -0.545 5.030 -6.433 1.00 0.00 C ATOM 669 CG LEU A 47 -1.011 3.998 -7.461 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.434 4.299 -7.935 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.026 3.903 -8.629 1.00 0.00 C ATOM 0 H LEU A 47 0.306 4.448 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 47 1.387 4.254 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.104 4.872 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.808 6.022 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.033 3.021 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.740 3.550 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.114 4.275 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.463 5.287 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.381 3.162 -9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.052 4.873 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.954 3.606 -8.255 1.00 0.00 H new ATOM 683 N GLN A 48 1.298 7.365 -5.671 1.00 0.00 N ATOM 684 CA GLN A 48 1.891 8.677 -5.865 1.00 0.00 C ATOM 685 C GLN A 48 3.416 8.588 -5.775 1.00 0.00 C ATOM 686 O GLN A 48 4.118 8.922 -6.728 1.00 0.00 O ATOM 687 CB GLN A 48 1.340 9.683 -4.852 1.00 0.00 C ATOM 688 CG GLN A 48 0.808 10.933 -5.555 1.00 0.00 C ATOM 689 CD GLN A 48 1.859 12.046 -5.564 1.00 0.00 C ATOM 690 OE1 GLN A 48 3.028 11.829 -5.838 1.00 0.00 O ATOM 691 NE2 GLN A 48 1.379 13.246 -5.249 1.00 0.00 N ATOM 0 H GLN A 48 0.601 7.318 -4.928 1.00 0.00 H new ATOM 0 HA GLN A 48 1.625 9.031 -6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.542 9.220 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.124 9.963 -4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.525 10.687 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.093 11.283 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.389 13.358 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.001 14.054 -5.226 1.00 0.00 H new ATOM 700 N MET A 49 3.884 8.137 -4.620 1.00 0.00 N ATOM 701 CA MET A 49 5.313 8.001 -4.394 1.00 0.00 C ATOM 702 C MET A 49 6.004 7.382 -5.610 1.00 0.00 C ATOM 703 O MET A 49 5.409 6.575 -6.323 1.00 0.00 O ATOM 704 CB MET A 49 5.553 7.120 -3.166 1.00 0.00 C ATOM 705 CG MET A 49 4.970 7.763 -1.906 1.00 0.00 C ATOM 706 SD MET A 49 4.424 6.499 -0.771 1.00 0.00 S ATOM 707 CE MET A 49 5.786 6.510 0.383 1.00 0.00 C ATOM 0 H MET A 49 3.299 7.861 -3.831 1.00 0.00 H new ATOM 0 HA MET A 49 5.732 8.993 -4.228 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.099 6.141 -3.322 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.623 6.958 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.721 8.392 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.134 8.410 -2.172 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.727 5.631 1.024 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.728 6.496 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.736 7.410 0.996 1.00 0.00 H new ATOM 717 N GLY A 50 7.251 7.783 -5.810 1.00 0.00 N ATOM 718 CA GLY A 50 8.029 7.277 -6.928 1.00 0.00 C ATOM 719 C GLY A 50 8.732 8.418 -7.666 1.00 0.00 C ATOM 720 O GLY A 50 9.899 8.706 -7.405 1.00 0.00 O ATOM 0 H GLY A 50 7.742 8.452 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.768 6.562 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.376 6.741 -7.617 1.00 0.00 H new ATOM 724 N GLU A 51 7.992 9.037 -8.574 1.00 0.00 N ATOM 725 CA GLU A 51 8.530 10.140 -9.353 1.00 0.00 C ATOM 726 C GLU A 51 9.698 9.660 -10.217 1.00 0.00 C ATOM 727 O GLU A 51 10.859 9.853 -9.861 1.00 0.00 O ATOM 728 CB GLU A 51 8.959 11.294 -8.445 1.00 0.00 C ATOM 729 CG GLU A 51 8.033 12.500 -8.616 1.00 0.00 C ATOM 730 CD GLU A 51 8.749 13.799 -8.242 1.00 0.00 C ATOM 731 OE1 GLU A 51 8.903 14.033 -7.024 1.00 0.00 O ATOM 732 OE2 GLU A 51 9.128 14.530 -9.184 1.00 0.00 O ATOM 0 H GLU A 51 7.024 8.796 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 51 7.745 10.511 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.948 10.967 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.984 11.582 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.689 12.555 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.149 12.375 -7.991 1.00 0.00 H new ATOM 739 N GLU A 52 9.349 9.044 -11.337 1.00 0.00 N ATOM 740 CA GLU A 52 10.353 8.534 -12.255 1.00 0.00 C ATOM 741 C GLU A 52 11.190 7.447 -11.577 1.00 0.00 C ATOM 742 O GLU A 52 11.763 7.673 -10.513 1.00 0.00 O ATOM 743 CB GLU A 52 11.242 9.665 -12.777 1.00 0.00 C ATOM 744 CG GLU A 52 12.297 9.129 -13.747 1.00 0.00 C ATOM 745 CD GLU A 52 12.138 9.760 -15.133 1.00 0.00 C ATOM 746 OE1 GLU A 52 11.001 9.714 -15.650 1.00 0.00 O ATOM 747 OE2 GLU A 52 13.158 10.272 -15.643 1.00 0.00 O ATOM 0 H GLU A 52 8.385 8.887 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 52 9.844 8.091 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.628 10.413 -13.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.732 10.163 -11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.294 9.340 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.208 8.045 -13.824 1.00 0.00 H new ATOM 754 N PRO A 53 11.234 6.260 -12.239 1.00 0.00 N ATOM 755 CA PRO A 53 11.991 5.137 -11.712 1.00 0.00 C ATOM 756 C PRO A 53 13.493 5.345 -11.914 1.00 0.00 C ATOM 757 O PRO A 53 13.905 6.176 -12.722 1.00 0.00 O ATOM 758 CB PRO A 53 11.455 3.921 -12.449 1.00 0.00 C ATOM 759 CG PRO A 53 10.753 4.459 -13.686 1.00 0.00 C ATOM 760 CD PRO A 53 10.568 5.956 -13.502 1.00 0.00 C ATOM 0 HA PRO A 53 11.872 5.018 -10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.263 3.243 -12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.764 3.357 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.343 4.254 -14.579 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.789 3.969 -13.821 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.011 6.514 -14.327 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.512 6.223 -13.467 1.00 0.00 H new ATOM 768 N SER A 54 14.270 4.577 -11.165 1.00 0.00 N ATOM 769 CA SER A 54 15.718 4.666 -11.252 1.00 0.00 C ATOM 770 C SER A 54 16.166 6.115 -11.049 1.00 0.00 C ATOM 771 O SER A 54 16.050 6.937 -11.956 1.00 0.00 O ATOM 772 CB SER A 54 16.223 4.138 -12.596 1.00 0.00 C ATOM 773 OG SER A 54 16.221 2.714 -12.645 1.00 0.00 O ATOM 0 H SER A 54 13.924 3.890 -10.495 1.00 0.00 H new ATOM 0 HA SER A 54 16.147 4.046 -10.465 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.597 4.529 -13.398 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.234 4.505 -12.773 1.00 0.00 H new ATOM 0 HG SER A 54 16.548 2.416 -13.519 1.00 0.00 H new ATOM 779 N GLY A 55 16.668 6.384 -9.852 1.00 0.00 N ATOM 780 CA GLY A 55 17.133 7.719 -9.519 1.00 0.00 C ATOM 781 C GLY A 55 17.598 7.790 -8.063 1.00 0.00 C ATOM 782 O GLY A 55 18.768 7.547 -7.768 1.00 0.00 O ATOM 0 H GLY A 55 16.763 5.700 -9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.953 7.998 -10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.331 8.439 -9.684 1.00 0.00 H new ATOM 786 N PRO A 56 16.633 8.132 -7.167 1.00 0.00 N ATOM 787 CA PRO A 56 16.932 8.238 -5.749 1.00 0.00 C ATOM 788 C PRO A 56 17.078 6.853 -5.115 1.00 0.00 C ATOM 789 O PRO A 56 16.142 6.347 -4.498 1.00 0.00 O ATOM 790 CB PRO A 56 15.782 9.041 -5.164 1.00 0.00 C ATOM 791 CG PRO A 56 14.655 8.957 -6.181 1.00 0.00 C ATOM 792 CD PRO A 56 15.238 8.426 -7.480 1.00 0.00 C ATOM 0 HA PRO A 56 17.884 8.732 -5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 56 15.471 8.634 -4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 56 16.076 10.076 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.864 8.299 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 56 14.207 9.939 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 56 14.711 7.533 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.158 9.162 -8.280 1.00 0.00 H new ATOM 800 N SER A 57 18.259 6.279 -5.289 1.00 0.00 N ATOM 801 CA SER A 57 18.540 4.963 -4.741 1.00 0.00 C ATOM 802 C SER A 57 19.575 5.072 -3.621 1.00 0.00 C ATOM 803 O SER A 57 20.601 5.732 -3.781 1.00 0.00 O ATOM 804 CB SER A 57 19.034 4.008 -5.829 1.00 0.00 C ATOM 805 OG SER A 57 17.977 3.217 -6.367 1.00 0.00 O ATOM 0 H SER A 57 19.033 6.701 -5.802 1.00 0.00 H new ATOM 0 HA SER A 57 17.614 4.558 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.501 4.581 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.802 3.354 -5.416 1.00 0.00 H new ATOM 0 HG SER A 57 18.333 2.622 -7.059 1.00 0.00 H new ATOM 811 N SER A 58 19.271 4.416 -2.511 1.00 0.00 N ATOM 812 CA SER A 58 20.163 4.431 -1.364 1.00 0.00 C ATOM 813 C SER A 58 21.168 3.283 -1.467 1.00 0.00 C ATOM 814 O SER A 58 22.378 3.508 -1.447 1.00 0.00 O ATOM 815 CB SER A 58 19.377 4.332 -0.054 1.00 0.00 C ATOM 816 OG SER A 58 18.502 3.207 -0.040 1.00 0.00 O ATOM 0 H SER A 58 18.419 3.870 -2.381 1.00 0.00 H new ATOM 0 HA SER A 58 20.702 5.378 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 58 20.073 4.260 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.798 5.244 0.091 1.00 0.00 H new ATOM 0 HG SER A 58 18.020 3.178 0.813 1.00 0.00 H new ATOM 822 N GLY A 59 20.632 2.076 -1.576 1.00 0.00 N ATOM 823 CA GLY A 59 21.467 0.892 -1.683 1.00 0.00 C ATOM 824 C GLY A 59 20.622 -0.382 -1.631 1.00 0.00 C ATOM 825 O GLY A 59 19.422 -0.325 -1.367 1.00 0.00 O ATOM 0 H GLY A 59 19.629 1.893 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.029 0.922 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.196 0.882 -0.873 1.00 0.00 H new TER 829 GLY A 59