USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 Set 1.1: A 22 GLN : amide:sc= 0.791 K(o=2.3,f=0.2) USER MOD Set 1.2: A 62 SER OG : rot 81:sc= 1.51 USER MOD Single : A 1 LYS N :NH3+ 170:sc= -0.393 (180deg=-0.616) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 130:sc= 0.0737 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.278 (180deg=0.261) USER MOD Single : A 13 TYR OH : rot -173:sc= 1.27 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0.567 (180deg=0.517) USER MOD Single : A 21 ASN : amide:sc= 1.63 K(o=1.6,f=-6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.606 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0.959 (180deg=0.869) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.63 (180deg=0.622) USER MOD Single : A 33 GLN : amide:sc= 0.399 K(o=0.4,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00909 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.905 (180deg=0.876) USER MOD Single : A 43 MET CE :methyl -178:sc= 0 (180deg=-0.00746) USER MOD Single : A 44 SER OG : rot 180:sc= 0.131 USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.73 USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.88 (180deg=0.68) USER MOD Single : A 67 GLN : amide:sc= 0.0531 X(o=0.053,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.124 (180deg=0.0339) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 67:sc= 0.974 USER MOD Single : A 75 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.899 1.847 -0.175 1.00 0.00 N ATOM 2 CA LYS A 1 2.638 2.023 -1.444 1.00 0.00 C ATOM 3 C LYS A 1 2.485 0.834 -2.401 1.00 0.00 C ATOM 4 O LYS A 1 2.924 0.901 -3.549 1.00 0.00 O ATOM 5 CB LYS A 1 4.114 2.374 -1.189 1.00 0.00 C ATOM 6 CG LYS A 1 5.073 1.192 -0.954 1.00 0.00 C ATOM 7 CD LYS A 1 4.697 0.286 0.226 1.00 0.00 C ATOM 8 CE LYS A 1 5.796 -0.759 0.450 1.00 0.00 C ATOM 9 NZ LYS A 1 5.439 -1.691 1.533 1.00 0.00 N ATOM 0 H1 LYS A 1 2.173 2.595 0.493 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.877 1.904 -0.358 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.126 0.918 0.233 1.00 0.00 H new ATOM 0 HA LYS A 1 2.180 2.871 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.480 2.946 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.163 3.030 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.112 0.588 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.077 1.583 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.562 0.884 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.747 -0.209 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.963 -1.317 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.733 -0.258 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.203 -2.385 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.304 -1.160 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.558 -2.187 1.288 1.00 0.00 H new ATOM 25 N SER A 2 1.874 -0.260 -1.936 1.00 0.00 N ATOM 26 CA SER A 2 1.840 -1.529 -2.637 1.00 0.00 C ATOM 27 C SER A 2 1.424 -1.407 -4.104 1.00 0.00 C ATOM 28 O SER A 2 2.139 -1.931 -4.952 1.00 0.00 O ATOM 29 CB SER A 2 0.991 -2.533 -1.857 1.00 0.00 C ATOM 30 OG SER A 2 1.008 -2.204 -0.478 1.00 0.00 O ATOM 0 H SER A 2 1.382 -0.279 -1.043 1.00 0.00 H new ATOM 0 HA SER A 2 2.861 -1.908 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.033 -2.525 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.376 -3.542 -2.005 1.00 0.00 H new ATOM 0 HG SER A 2 0.090 -2.179 -0.136 1.00 0.00 H new ATOM 36 N PRO A 3 0.325 -0.710 -4.449 1.00 0.00 N ATOM 37 CA PRO A 3 -0.049 -0.507 -5.840 1.00 0.00 C ATOM 38 C PRO A 3 1.133 -0.032 -6.690 1.00 0.00 C ATOM 39 O PRO A 3 1.385 -0.581 -7.762 1.00 0.00 O ATOM 40 CB PRO A 3 -1.188 0.517 -5.815 1.00 0.00 C ATOM 41 CG PRO A 3 -1.832 0.268 -4.451 1.00 0.00 C ATOM 42 CD PRO A 3 -0.615 -0.023 -3.574 1.00 0.00 C ATOM 0 HA PRO A 3 -0.367 -1.441 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.817 1.538 -5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.893 0.359 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.391 1.135 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.528 -0.571 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.185 0.897 -3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.884 -0.643 -2.719 1.00 0.00 H new ATOM 50 N GLU A 4 1.878 0.960 -6.196 1.00 0.00 N ATOM 51 CA GLU A 4 3.012 1.523 -6.909 1.00 0.00 C ATOM 52 C GLU A 4 4.186 0.545 -6.912 1.00 0.00 C ATOM 53 O GLU A 4 4.879 0.423 -7.916 1.00 0.00 O ATOM 54 CB GLU A 4 3.384 2.886 -6.306 1.00 0.00 C ATOM 55 CG GLU A 4 4.453 3.626 -7.126 1.00 0.00 C ATOM 56 CD GLU A 4 4.025 3.874 -8.571 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.908 4.408 -8.750 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.815 3.517 -9.471 1.00 0.00 O ATOM 0 H GLU A 4 1.706 1.392 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 4 2.740 1.689 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.490 3.506 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.748 2.741 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.674 4.581 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.375 3.045 -7.120 1.00 0.00 H new ATOM 65 N GLU A 5 4.413 -0.166 -5.805 1.00 0.00 N ATOM 66 CA GLU A 5 5.433 -1.205 -5.756 1.00 0.00 C ATOM 67 C GLU A 5 5.187 -2.235 -6.866 1.00 0.00 C ATOM 68 O GLU A 5 6.061 -2.495 -7.696 1.00 0.00 O ATOM 69 CB GLU A 5 5.439 -1.851 -4.363 1.00 0.00 C ATOM 70 CG GLU A 5 6.593 -2.842 -4.175 1.00 0.00 C ATOM 71 CD GLU A 5 6.537 -3.468 -2.785 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.624 -4.298 -2.577 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.386 -3.087 -1.950 1.00 0.00 O ATOM 0 H GLU A 5 3.901 -0.038 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 5 6.417 -0.770 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.509 -1.070 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.493 -2.367 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.538 -3.622 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.546 -2.330 -4.312 1.00 0.00 H new ATOM 80 N LEU A 6 3.981 -2.814 -6.893 1.00 0.00 N ATOM 81 CA LEU A 6 3.647 -3.812 -7.896 1.00 0.00 C ATOM 82 C LEU A 6 3.630 -3.180 -9.288 1.00 0.00 C ATOM 83 O LEU A 6 4.013 -3.845 -10.245 1.00 0.00 O ATOM 84 CB LEU A 6 2.341 -4.569 -7.595 1.00 0.00 C ATOM 85 CG LEU A 6 2.347 -5.547 -6.399 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.643 -6.351 -6.273 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.051 -4.888 -5.051 1.00 0.00 C ATOM 0 H LEU A 6 3.231 -2.606 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 6 4.431 -4.569 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.556 -3.832 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.063 -5.130 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 6 1.528 -6.226 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.576 -7.016 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.794 -6.941 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.483 -5.669 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.074 -5.642 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.803 -4.126 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.065 -4.425 -5.081 1.00 0.00 H new ATOM 99 N LYS A 7 3.231 -1.909 -9.425 1.00 0.00 N ATOM 100 CA LYS A 7 3.376 -1.195 -10.689 1.00 0.00 C ATOM 101 C LYS A 7 4.839 -1.191 -11.138 1.00 0.00 C ATOM 102 O LYS A 7 5.127 -1.554 -12.272 1.00 0.00 O ATOM 103 CB LYS A 7 2.814 0.228 -10.589 1.00 0.00 C ATOM 104 CG LYS A 7 2.662 0.865 -11.975 1.00 0.00 C ATOM 105 CD LYS A 7 2.102 2.284 -11.843 1.00 0.00 C ATOM 106 CE LYS A 7 1.954 2.924 -13.226 1.00 0.00 C ATOM 107 NZ LYS A 7 1.430 4.297 -13.125 1.00 0.00 N ATOM 0 H LYS A 7 2.808 -1.360 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 7 2.794 -1.719 -11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.846 0.205 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.475 0.840 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.628 0.892 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.998 0.259 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.135 2.256 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.765 2.888 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.921 2.937 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.284 2.321 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.340 4.705 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.497 4.280 -12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.083 4.877 -12.560 1.00 0.00 H new ATOM 121 N GLY A 8 5.765 -0.802 -10.264 1.00 0.00 N ATOM 122 CA GLY A 8 7.186 -0.760 -10.574 1.00 0.00 C ATOM 123 C GLY A 8 7.682 -2.120 -11.061 1.00 0.00 C ATOM 124 O GLY A 8 8.304 -2.218 -12.120 1.00 0.00 O ATOM 0 H GLY A 8 5.545 -0.505 -9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.373 -0.006 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.746 -0.461 -9.688 1.00 0.00 H new ATOM 128 N ILE A 9 7.403 -3.170 -10.281 1.00 0.00 N ATOM 129 CA ILE A 9 7.706 -4.554 -10.642 1.00 0.00 C ATOM 130 C ILE A 9 7.139 -4.856 -12.031 1.00 0.00 C ATOM 131 O ILE A 9 7.882 -5.162 -12.965 1.00 0.00 O ATOM 132 CB ILE A 9 7.144 -5.490 -9.553 1.00 0.00 C ATOM 133 CG1 ILE A 9 7.960 -5.331 -8.257 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.109 -6.967 -9.953 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.433 -6.229 -7.136 1.00 0.00 C ATOM 0 H ILE A 9 6.954 -3.078 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 9 8.783 -4.717 -10.694 1.00 0.00 H new ATOM 0 HB ILE A 9 6.108 -5.187 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.005 -5.572 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.928 -4.291 -7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.701 -7.557 -9.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.481 -7.090 -10.836 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.120 -7.307 -10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.037 -6.085 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.396 -5.971 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.489 -7.272 -7.448 1.00 0.00 H new ATOM 147 N PHE A 10 5.814 -4.765 -12.153 1.00 0.00 N ATOM 148 CA PHE A 10 5.082 -4.982 -13.388 1.00 0.00 C ATOM 149 C PHE A 10 5.811 -4.316 -14.558 1.00 0.00 C ATOM 150 O PHE A 10 6.147 -4.981 -15.533 1.00 0.00 O ATOM 151 CB PHE A 10 3.642 -4.476 -13.213 1.00 0.00 C ATOM 152 CG PHE A 10 2.826 -4.486 -14.483 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.046 -3.488 -15.445 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.011 -5.585 -14.799 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.619 -3.691 -16.760 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.426 -5.685 -16.070 1.00 0.00 C ATOM 157 CZ PHE A 10 1.743 -4.742 -17.057 1.00 0.00 C ATOM 0 H PHE A 10 5.208 -4.531 -11.367 1.00 0.00 H new ATOM 0 HA PHE A 10 5.032 -6.046 -13.621 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.140 -5.092 -12.467 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.671 -3.460 -12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.542 -2.569 -15.171 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.834 -6.355 -14.062 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.965 -3.037 -17.547 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.734 -6.485 -16.287 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.313 -4.826 -18.044 1.00 0.00 H new ATOM 167 N GLU A 11 6.075 -3.013 -14.447 1.00 0.00 N ATOM 168 CA GLU A 11 6.718 -2.227 -15.482 1.00 0.00 C ATOM 169 C GLU A 11 8.088 -2.791 -15.852 1.00 0.00 C ATOM 170 O GLU A 11 8.352 -2.998 -17.035 1.00 0.00 O ATOM 171 CB GLU A 11 6.813 -0.755 -15.061 1.00 0.00 C ATOM 172 CG GLU A 11 5.443 -0.066 -15.133 1.00 0.00 C ATOM 173 CD GLU A 11 5.509 1.379 -14.653 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.009 1.584 -13.525 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.047 2.255 -15.415 1.00 0.00 O ATOM 0 H GLU A 11 5.840 -2.471 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 11 6.099 -2.285 -16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.203 -0.689 -14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.519 -0.234 -15.708 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.077 -0.091 -16.159 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.726 -0.618 -14.525 1.00 0.00 H new ATOM 182 N LYS A 12 8.976 -3.018 -14.877 1.00 0.00 N ATOM 183 CA LYS A 12 10.318 -3.486 -15.213 1.00 0.00 C ATOM 184 C LYS A 12 10.285 -4.852 -15.908 1.00 0.00 C ATOM 185 O LYS A 12 11.049 -5.071 -16.846 1.00 0.00 O ATOM 186 CB LYS A 12 11.287 -3.418 -14.025 1.00 0.00 C ATOM 187 CG LYS A 12 10.908 -4.339 -12.864 1.00 0.00 C ATOM 188 CD LYS A 12 11.948 -4.334 -11.733 1.00 0.00 C ATOM 189 CE LYS A 12 12.163 -2.953 -11.099 1.00 0.00 C ATOM 190 NZ LYS A 12 10.905 -2.370 -10.599 1.00 0.00 N ATOM 0 H LYS A 12 8.796 -2.889 -13.881 1.00 0.00 H new ATOM 0 HA LYS A 12 10.728 -2.788 -15.943 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.288 -3.677 -14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.331 -2.391 -13.662 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.942 -4.032 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.790 -5.356 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.634 -5.034 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.899 -4.697 -12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.874 -3.039 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.606 -2.282 -11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.106 -1.470 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.260 -2.201 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.460 -3.028 -9.928 1.00 0.00 H new ATOM 204 N TYR A 13 9.402 -5.766 -15.484 1.00 0.00 N ATOM 205 CA TYR A 13 9.186 -6.985 -16.250 1.00 0.00 C ATOM 206 C TYR A 13 8.645 -6.670 -17.656 1.00 0.00 C ATOM 207 O TYR A 13 9.277 -6.989 -18.658 1.00 0.00 O ATOM 208 CB TYR A 13 8.274 -7.911 -15.446 1.00 0.00 C ATOM 209 CG TYR A 13 8.999 -8.658 -14.342 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.772 -9.791 -14.650 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.880 -8.252 -13.002 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.440 -10.487 -13.630 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.581 -8.925 -11.990 1.00 0.00 C ATOM 214 CZ TYR A 13 10.369 -10.040 -12.303 1.00 0.00 C ATOM 215 OH TYR A 13 10.986 -10.743 -11.313 1.00 0.00 O ATOM 0 H TYR A 13 8.842 -5.683 -14.636 1.00 0.00 H new ATOM 0 HA TYR A 13 10.132 -7.501 -16.414 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.467 -7.324 -15.008 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.814 -8.632 -16.121 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.852 -10.127 -15.673 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.245 -7.416 -12.749 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.012 -11.372 -13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.513 -8.583 -10.968 1.00 0.00 H new ATOM 0 HH TYR A 13 10.752 -10.357 -10.443 1.00 0.00 H new ATOM 225 N ALA A 14 7.479 -6.031 -17.738 1.00 0.00 N ATOM 226 CA ALA A 14 6.784 -5.684 -18.976 1.00 0.00 C ATOM 227 C ALA A 14 7.697 -5.067 -20.035 1.00 0.00 C ATOM 228 O ALA A 14 7.696 -5.484 -21.193 1.00 0.00 O ATOM 229 CB ALA A 14 5.651 -4.722 -18.623 1.00 0.00 C ATOM 0 H ALA A 14 6.971 -5.728 -16.907 1.00 0.00 H new ATOM 0 HA ALA A 14 6.402 -6.603 -19.421 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.113 -4.445 -19.530 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.965 -5.207 -17.928 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.065 -3.827 -18.159 1.00 0.00 H new ATOM 235 N ALA A 15 8.499 -4.084 -19.626 1.00 0.00 N ATOM 236 CA ALA A 15 9.479 -3.407 -20.463 1.00 0.00 C ATOM 237 C ALA A 15 10.336 -4.368 -21.297 1.00 0.00 C ATOM 238 O ALA A 15 10.778 -3.996 -22.384 1.00 0.00 O ATOM 239 CB ALA A 15 10.367 -2.521 -19.587 1.00 0.00 C ATOM 0 H ALA A 15 8.481 -3.728 -18.670 1.00 0.00 H new ATOM 0 HA ALA A 15 8.926 -2.799 -21.179 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.102 -2.013 -20.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.751 -1.781 -19.076 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.881 -3.137 -18.850 1.00 0.00 H new ATOM 245 N LYS A 16 10.577 -5.598 -20.828 1.00 0.00 N ATOM 246 CA LYS A 16 11.329 -6.584 -21.596 1.00 0.00 C ATOM 247 C LYS A 16 10.670 -6.851 -22.958 1.00 0.00 C ATOM 248 O LYS A 16 11.375 -7.057 -23.942 1.00 0.00 O ATOM 249 CB LYS A 16 11.518 -7.873 -20.784 1.00 0.00 C ATOM 250 CG LYS A 16 12.208 -7.653 -19.427 1.00 0.00 C ATOM 251 CD LYS A 16 13.687 -7.262 -19.554 1.00 0.00 C ATOM 252 CE LYS A 16 14.305 -7.028 -18.169 1.00 0.00 C ATOM 253 NZ LYS A 16 13.758 -5.822 -17.517 1.00 0.00 N ATOM 0 H LYS A 16 10.259 -5.930 -19.917 1.00 0.00 H new ATOM 0 HA LYS A 16 12.319 -6.177 -21.800 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.544 -8.332 -20.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.106 -8.579 -21.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.679 -6.872 -18.880 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.130 -8.565 -18.835 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.233 -8.049 -20.074 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.779 -6.359 -20.157 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.120 -7.897 -17.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.386 -6.929 -18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.273 -5.643 -16.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.866 -5.005 -18.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.750 -5.967 -17.308 1.00 0.00 H new ATOM 267 N GLU A 17 9.334 -6.798 -23.043 1.00 0.00 N ATOM 268 CA GLU A 17 8.603 -6.896 -24.304 1.00 0.00 C ATOM 269 C GLU A 17 8.365 -5.515 -24.925 1.00 0.00 C ATOM 270 O GLU A 17 7.407 -5.334 -25.676 1.00 0.00 O ATOM 271 CB GLU A 17 7.261 -7.616 -24.100 1.00 0.00 C ATOM 272 CG GLU A 17 7.406 -8.978 -23.411 1.00 0.00 C ATOM 273 CD GLU A 17 7.076 -8.879 -21.927 1.00 0.00 C ATOM 274 OE1 GLU A 17 7.960 -8.427 -21.170 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.938 -9.259 -21.582 1.00 0.00 O ATOM 0 H GLU A 17 8.729 -6.685 -22.229 1.00 0.00 H new ATOM 0 HA GLU A 17 9.218 -7.477 -24.991 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.603 -6.983 -23.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.780 -7.755 -25.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.744 -9.702 -23.886 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.424 -9.346 -23.537 1.00 0.00 H new ATOM 282 N GLY A 18 9.200 -4.521 -24.618 1.00 0.00 N ATOM 283 CA GLY A 18 9.055 -3.176 -25.145 1.00 0.00 C ATOM 284 C GLY A 18 7.937 -2.426 -24.427 1.00 0.00 C ATOM 285 O GLY A 18 8.197 -1.418 -23.776 1.00 0.00 O ATOM 0 H GLY A 18 9.998 -4.634 -23.993 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.994 -2.634 -25.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.841 -3.221 -26.213 1.00 0.00 H new ATOM 289 N ASP A 19 6.691 -2.895 -24.558 1.00 0.00 N ATOM 290 CA ASP A 19 5.527 -2.237 -23.974 1.00 0.00 C ATOM 291 C ASP A 19 5.676 -2.178 -22.446 1.00 0.00 C ATOM 292 O ASP A 19 5.572 -3.215 -21.797 1.00 0.00 O ATOM 293 CB ASP A 19 4.234 -2.973 -24.373 1.00 0.00 C ATOM 294 CG ASP A 19 2.969 -2.201 -23.997 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.046 -1.348 -23.085 1.00 0.00 O ATOM 296 OD2 ASP A 19 1.932 -2.473 -24.640 1.00 0.00 O ATOM 0 H ASP A 19 6.466 -3.745 -25.075 1.00 0.00 H new ATOM 0 HA ASP A 19 5.464 -1.219 -24.357 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.240 -3.149 -25.449 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.214 -3.950 -23.890 1.00 0.00 H new ATOM 301 N PRO A 20 5.868 -0.995 -21.837 1.00 0.00 N ATOM 302 CA PRO A 20 6.020 -0.894 -20.394 1.00 0.00 C ATOM 303 C PRO A 20 4.718 -1.244 -19.667 1.00 0.00 C ATOM 304 O PRO A 20 4.749 -1.527 -18.473 1.00 0.00 O ATOM 305 CB PRO A 20 6.437 0.554 -20.132 1.00 0.00 C ATOM 306 CG PRO A 20 5.769 1.315 -21.277 1.00 0.00 C ATOM 307 CD PRO A 20 5.868 0.330 -22.442 1.00 0.00 C ATOM 0 HA PRO A 20 6.761 -1.599 -20.018 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.092 0.904 -19.159 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.521 0.671 -20.147 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.734 1.566 -21.046 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.283 2.251 -21.494 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.028 0.448 -23.127 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.777 0.497 -23.020 1.00 0.00 H new ATOM 315 N ASN A 21 3.575 -1.217 -20.366 1.00 0.00 N ATOM 316 CA ASN A 21 2.269 -1.514 -19.801 1.00 0.00 C ATOM 317 C ASN A 21 1.770 -2.890 -20.262 1.00 0.00 C ATOM 318 O ASN A 21 0.570 -3.038 -20.482 1.00 0.00 O ATOM 319 CB ASN A 21 1.279 -0.398 -20.174 1.00 0.00 C ATOM 320 CG ASN A 21 -0.014 -0.447 -19.351 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.164 -1.249 -18.433 1.00 0.00 O ATOM 322 ND2 ASN A 21 -0.955 0.446 -19.646 1.00 0.00 N ATOM 0 H ASN A 21 3.541 -0.983 -21.358 1.00 0.00 H new ATOM 0 HA ASN A 21 2.351 -1.553 -18.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.759 0.570 -20.029 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.033 -0.477 -21.233 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.820 0.473 -19.106 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.812 1.104 -20.412 1.00 0.00 H new ATOM 329 N GLN A 22 2.639 -3.905 -20.425 1.00 0.00 N ATOM 330 CA GLN A 22 2.147 -5.244 -20.767 1.00 0.00 C ATOM 331 C GLN A 22 3.094 -6.419 -20.490 1.00 0.00 C ATOM 332 O GLN A 22 4.273 -6.353 -20.818 1.00 0.00 O ATOM 333 CB GLN A 22 1.626 -5.266 -22.209 1.00 0.00 C ATOM 334 CG GLN A 22 0.221 -5.864 -22.205 1.00 0.00 C ATOM 335 CD GLN A 22 -0.474 -5.610 -23.537 1.00 0.00 C ATOM 336 OE1 GLN A 22 0.049 -5.952 -24.592 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.642 -4.979 -23.508 1.00 0.00 N ATOM 0 H GLN A 22 3.651 -3.826 -20.329 1.00 0.00 H new ATOM 0 HA GLN A 22 1.331 -5.421 -20.066 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.607 -4.257 -22.621 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.288 -5.857 -22.842 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.277 -6.936 -22.016 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.363 -5.428 -21.395 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.053 -4.707 -22.615 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.129 -4.767 -24.379 1.00 0.00 H new ATOM 346 N LEU A 23 2.552 -7.508 -19.921 1.00 0.00 N ATOM 347 CA LEU A 23 3.246 -8.758 -19.616 1.00 0.00 C ATOM 348 C LEU A 23 2.692 -9.895 -20.478 1.00 0.00 C ATOM 349 O LEU A 23 1.503 -10.192 -20.397 1.00 0.00 O ATOM 350 CB LEU A 23 2.996 -9.155 -18.152 1.00 0.00 C ATOM 351 CG LEU A 23 3.496 -8.160 -17.104 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.994 -8.589 -15.731 1.00 0.00 C ATOM 353 CD2 LEU A 23 5.010 -8.135 -16.996 1.00 0.00 C ATOM 0 H LEU A 23 1.569 -7.536 -19.650 1.00 0.00 H new ATOM 0 HA LEU A 23 4.308 -8.603 -19.808 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.925 -9.297 -18.010 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.472 -10.118 -17.969 1.00 0.00 H new ATOM 0 HG LEU A 23 3.131 -7.180 -17.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.347 -7.884 -14.978 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.904 -8.605 -15.731 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.372 -9.585 -15.500 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.309 -7.411 -16.237 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.371 -9.125 -16.716 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.439 -7.851 -17.957 1.00 0.00 H new ATOM 365 N SER A 24 3.522 -10.585 -21.259 1.00 0.00 N ATOM 366 CA SER A 24 3.107 -11.818 -21.922 1.00 0.00 C ATOM 367 C SER A 24 2.827 -12.908 -20.882 1.00 0.00 C ATOM 368 O SER A 24 3.218 -12.760 -19.730 1.00 0.00 O ATOM 369 CB SER A 24 4.239 -12.269 -22.850 1.00 0.00 C ATOM 370 OG SER A 24 5.404 -12.556 -22.090 1.00 0.00 O ATOM 0 H SER A 24 4.486 -10.310 -21.447 1.00 0.00 H new ATOM 0 HA SER A 24 2.195 -11.643 -22.493 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.932 -13.153 -23.409 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.454 -11.489 -23.581 1.00 0.00 H new ATOM 0 HG SER A 24 6.123 -12.845 -22.690 1.00 0.00 H new ATOM 376 N LYS A 25 2.192 -14.023 -21.265 1.00 0.00 N ATOM 377 CA LYS A 25 2.124 -15.219 -20.426 1.00 0.00 C ATOM 378 C LYS A 25 3.469 -15.533 -19.782 1.00 0.00 C ATOM 379 O LYS A 25 3.530 -15.803 -18.588 1.00 0.00 O ATOM 380 CB LYS A 25 1.672 -16.436 -21.235 1.00 0.00 C ATOM 381 CG LYS A 25 0.236 -16.304 -21.753 1.00 0.00 C ATOM 382 CD LYS A 25 -0.211 -17.517 -22.578 1.00 0.00 C ATOM 383 CE LYS A 25 -0.396 -18.772 -21.716 1.00 0.00 C ATOM 384 NZ LYS A 25 -0.968 -19.878 -22.504 1.00 0.00 N ATOM 0 H LYS A 25 1.714 -14.118 -22.161 1.00 0.00 H new ATOM 0 HA LYS A 25 1.395 -15.007 -19.644 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.347 -16.576 -22.080 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.749 -17.328 -20.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.440 -16.176 -20.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.156 -15.405 -22.364 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.149 -17.284 -23.083 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.528 -17.718 -23.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.565 -19.076 -21.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.050 -18.545 -20.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.255 -20.647 -21.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.798 -19.537 -23.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.255 -20.232 -23.173 1.00 0.00 H new ATOM 398 N GLU A 26 4.542 -15.516 -20.569 1.00 0.00 N ATOM 399 CA GLU A 26 5.862 -15.864 -20.085 1.00 0.00 C ATOM 400 C GLU A 26 6.346 -14.820 -19.085 1.00 0.00 C ATOM 401 O GLU A 26 6.831 -15.169 -18.010 1.00 0.00 O ATOM 402 CB GLU A 26 6.834 -16.029 -21.259 1.00 0.00 C ATOM 403 CG GLU A 26 6.405 -17.185 -22.179 1.00 0.00 C ATOM 404 CD GLU A 26 5.255 -16.860 -23.135 1.00 0.00 C ATOM 405 OE1 GLU A 26 4.948 -15.657 -23.294 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.687 -17.831 -23.680 1.00 0.00 O ATOM 0 H GLU A 26 4.514 -15.261 -21.556 1.00 0.00 H new ATOM 0 HA GLU A 26 5.815 -16.821 -19.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.878 -15.102 -21.831 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.838 -16.217 -20.879 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.267 -17.501 -22.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.114 -18.033 -21.559 1.00 0.00 H new ATOM 413 N GLU A 27 6.204 -13.537 -19.421 1.00 0.00 N ATOM 414 CA GLU A 27 6.632 -12.492 -18.510 1.00 0.00 C ATOM 415 C GLU A 27 5.833 -12.568 -17.205 1.00 0.00 C ATOM 416 O GLU A 27 6.413 -12.511 -16.119 1.00 0.00 O ATOM 417 CB GLU A 27 6.525 -11.126 -19.191 1.00 0.00 C ATOM 418 CG GLU A 27 7.506 -10.133 -18.550 1.00 0.00 C ATOM 419 CD GLU A 27 8.967 -10.375 -18.938 1.00 0.00 C ATOM 420 OE1 GLU A 27 9.198 -10.991 -20.001 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.835 -9.953 -18.145 1.00 0.00 O ATOM 0 H GLU A 27 5.804 -13.208 -20.300 1.00 0.00 H new ATOM 0 HA GLU A 27 7.680 -12.637 -18.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.740 -11.225 -20.255 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.506 -10.748 -19.105 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.225 -9.120 -18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.413 -10.192 -17.466 1.00 0.00 H new ATOM 428 N LEU A 28 4.508 -12.741 -17.302 1.00 0.00 N ATOM 429 CA LEU A 28 3.656 -12.902 -16.140 1.00 0.00 C ATOM 430 C LEU A 28 4.130 -14.111 -15.350 1.00 0.00 C ATOM 431 O LEU A 28 4.331 -13.986 -14.149 1.00 0.00 O ATOM 432 CB LEU A 28 2.171 -13.032 -16.517 1.00 0.00 C ATOM 433 CG LEU A 28 1.282 -12.911 -15.259 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.839 -11.469 -15.027 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.040 -13.799 -15.323 1.00 0.00 C ATOM 0 H LEU A 28 4.008 -12.772 -18.190 1.00 0.00 H new ATOM 0 HA LEU A 28 3.733 -12.005 -15.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.903 -12.257 -17.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.995 -13.992 -17.003 1.00 0.00 H new ATOM 0 HG LEU A 28 1.904 -13.247 -14.429 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.215 -11.419 -14.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.716 -10.836 -14.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.269 -11.121 -15.888 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.546 -13.672 -14.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.564 -13.518 -16.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.343 -14.842 -15.417 1.00 0.00 H new ATOM 447 N LYS A 29 4.341 -15.265 -15.996 1.00 0.00 N ATOM 448 CA LYS A 29 4.855 -16.438 -15.309 1.00 0.00 C ATOM 449 C LYS A 29 6.127 -16.082 -14.544 1.00 0.00 C ATOM 450 O LYS A 29 6.216 -16.338 -13.349 1.00 0.00 O ATOM 451 CB LYS A 29 5.121 -17.574 -16.307 1.00 0.00 C ATOM 452 CG LYS A 29 5.484 -18.876 -15.580 1.00 0.00 C ATOM 453 CD LYS A 29 5.867 -19.980 -16.572 1.00 0.00 C ATOM 454 CE LYS A 29 6.087 -21.302 -15.827 1.00 0.00 C ATOM 455 NZ LYS A 29 6.452 -22.388 -16.753 1.00 0.00 N ATOM 0 H LYS A 29 4.162 -15.403 -16.991 1.00 0.00 H new ATOM 0 HA LYS A 29 4.106 -16.783 -14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.237 -17.733 -16.925 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.932 -17.290 -16.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.314 -18.694 -14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.639 -19.205 -14.975 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.080 -20.100 -17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.774 -19.700 -17.108 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.874 -21.176 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.180 -21.572 -15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.660 -23.251 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.661 -22.570 -17.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.293 -22.111 -17.299 1.00 0.00 H new ATOM 469 N LEU A 30 7.105 -15.501 -15.231 1.00 0.00 N ATOM 470 CA LEU A 30 8.449 -15.281 -14.717 1.00 0.00 C ATOM 471 C LEU A 30 8.354 -14.417 -13.471 1.00 0.00 C ATOM 472 O LEU A 30 8.876 -14.750 -12.403 1.00 0.00 O ATOM 473 CB LEU A 30 9.292 -14.606 -15.813 1.00 0.00 C ATOM 474 CG LEU A 30 10.675 -14.129 -15.343 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.561 -15.306 -14.914 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.358 -13.355 -16.475 1.00 0.00 C ATOM 0 H LEU A 30 6.980 -15.162 -16.185 1.00 0.00 H new ATOM 0 HA LEU A 30 8.930 -16.221 -14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.423 -15.307 -16.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.740 -13.752 -16.205 1.00 0.00 H new ATOM 0 HG LEU A 30 10.536 -13.482 -14.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.531 -14.931 -14.588 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.084 -15.840 -14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.699 -15.984 -15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.339 -13.016 -16.143 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.473 -14.005 -17.343 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.748 -12.493 -16.746 1.00 0.00 H new ATOM 488 N LEU A 31 7.640 -13.308 -13.632 1.00 0.00 N ATOM 489 CA LEU A 31 7.372 -12.375 -12.570 1.00 0.00 C ATOM 490 C LEU A 31 6.689 -13.129 -11.426 1.00 0.00 C ATOM 491 O LEU A 31 7.195 -13.120 -10.310 1.00 0.00 O ATOM 492 CB LEU A 31 6.585 -11.221 -13.202 1.00 0.00 C ATOM 493 CG LEU A 31 6.177 -10.076 -12.274 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.483 -8.994 -13.105 1.00 0.00 C ATOM 495 CD2 LEU A 31 5.156 -10.556 -11.265 1.00 0.00 C ATOM 0 H LEU A 31 7.228 -13.037 -14.525 1.00 0.00 H new ATOM 0 HA LEU A 31 8.255 -11.932 -12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.184 -10.805 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.681 -11.632 -13.652 1.00 0.00 H new ATOM 0 HG LEU A 31 7.070 -9.704 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.186 -8.171 -12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.169 -8.625 -13.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.599 -9.414 -13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.875 -9.731 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.272 -10.922 -11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.585 -11.361 -10.669 1.00 0.00 H new ATOM 507 N LEU A 32 5.570 -13.810 -11.678 1.00 0.00 N ATOM 508 CA LEU A 32 4.824 -14.524 -10.646 1.00 0.00 C ATOM 509 C LEU A 32 5.714 -15.531 -9.916 1.00 0.00 C ATOM 510 O LEU A 32 5.631 -15.619 -8.696 1.00 0.00 O ATOM 511 CB LEU A 32 3.542 -15.168 -11.217 1.00 0.00 C ATOM 512 CG LEU A 32 2.275 -14.316 -11.043 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.478 -12.841 -11.394 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.174 -14.877 -11.938 1.00 0.00 C ATOM 0 H LEU A 32 5.156 -13.881 -12.607 1.00 0.00 H new ATOM 0 HA LEU A 32 4.498 -13.797 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.690 -15.365 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.387 -16.132 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 32 2.007 -14.364 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.543 -12.300 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.247 -12.416 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.789 -12.754 -12.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.270 -14.279 -11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.499 -14.845 -12.978 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.965 -15.909 -11.655 1.00 0.00 H new ATOM 526 N GLN A 33 6.588 -16.258 -10.618 1.00 0.00 N ATOM 527 CA GLN A 33 7.475 -17.204 -9.954 1.00 0.00 C ATOM 528 C GLN A 33 8.395 -16.442 -9.002 1.00 0.00 C ATOM 529 O GLN A 33 8.550 -16.817 -7.843 1.00 0.00 O ATOM 530 CB GLN A 33 8.339 -18.021 -10.933 1.00 0.00 C ATOM 531 CG GLN A 33 7.635 -18.826 -12.037 1.00 0.00 C ATOM 532 CD GLN A 33 6.234 -19.313 -11.679 1.00 0.00 C ATOM 533 OE1 GLN A 33 6.070 -20.415 -11.168 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.213 -18.514 -11.976 1.00 0.00 N ATOM 0 H GLN A 33 6.696 -16.208 -11.631 1.00 0.00 H new ATOM 0 HA GLN A 33 6.841 -17.911 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.033 -17.333 -11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.937 -18.717 -10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.572 -18.209 -12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.252 -19.689 -12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.385 -17.603 -12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.258 -18.812 -11.779 1.00 0.00 H new ATOM 543 N THR A 34 9.025 -15.382 -9.511 1.00 0.00 N ATOM 544 CA THR A 34 10.040 -14.649 -8.772 1.00 0.00 C ATOM 545 C THR A 34 9.424 -13.945 -7.558 1.00 0.00 C ATOM 546 O THR A 34 9.922 -14.065 -6.441 1.00 0.00 O ATOM 547 CB THR A 34 10.748 -13.667 -9.718 1.00 0.00 C ATOM 548 OG1 THR A 34 11.171 -14.350 -10.884 1.00 0.00 O ATOM 549 CG2 THR A 34 11.981 -13.049 -9.056 1.00 0.00 C ATOM 0 H THR A 34 8.843 -15.013 -10.444 1.00 0.00 H new ATOM 0 HA THR A 34 10.786 -15.343 -8.385 1.00 0.00 H new ATOM 0 HB THR A 34 10.039 -12.877 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.413 -14.451 -11.497 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.460 -12.359 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.680 -12.509 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.683 -13.838 -8.787 1.00 0.00 H new ATOM 557 N GLU A 35 8.352 -13.186 -7.787 1.00 0.00 N ATOM 558 CA GLU A 35 7.734 -12.325 -6.796 1.00 0.00 C ATOM 559 C GLU A 35 6.757 -13.101 -5.908 1.00 0.00 C ATOM 560 O GLU A 35 6.707 -12.856 -4.704 1.00 0.00 O ATOM 561 CB GLU A 35 7.031 -11.152 -7.500 1.00 0.00 C ATOM 562 CG GLU A 35 7.904 -10.426 -8.540 1.00 0.00 C ATOM 563 CD GLU A 35 9.250 -9.946 -8.008 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.269 -9.425 -6.874 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.234 -10.093 -8.768 1.00 0.00 O ATOM 0 H GLU A 35 7.883 -13.157 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 35 8.513 -11.932 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.133 -11.524 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.707 -10.433 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.078 -11.096 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.352 -9.568 -8.924 1.00 0.00 H new ATOM 572 N PHE A 36 5.953 -14.002 -6.489 1.00 0.00 N ATOM 573 CA PHE A 36 4.839 -14.664 -5.813 1.00 0.00 C ATOM 574 C PHE A 36 4.946 -16.197 -5.903 1.00 0.00 C ATOM 575 O PHE A 36 4.035 -16.832 -6.444 1.00 0.00 O ATOM 576 CB PHE A 36 3.515 -14.195 -6.450 1.00 0.00 C ATOM 577 CG PHE A 36 3.287 -12.699 -6.607 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.768 -11.774 -5.660 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.518 -12.235 -7.691 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.603 -10.395 -5.875 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.334 -10.858 -7.898 1.00 0.00 C ATOM 582 CZ PHE A 36 2.900 -9.936 -7.003 1.00 0.00 C ATOM 0 H PHE A 36 6.064 -14.294 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 36 4.869 -14.394 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.441 -14.649 -7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.697 -14.596 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.264 -12.125 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.066 -12.944 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.017 -9.687 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.759 -10.509 -8.743 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.796 -8.876 -7.181 1.00 0.00 H new ATOM 592 N PRO A 37 6.003 -16.826 -5.358 1.00 0.00 N ATOM 593 CA PRO A 37 6.206 -18.270 -5.422 1.00 0.00 C ATOM 594 C PRO A 37 5.202 -19.014 -4.527 1.00 0.00 C ATOM 595 O PRO A 37 5.555 -19.532 -3.471 1.00 0.00 O ATOM 596 CB PRO A 37 7.659 -18.489 -4.981 1.00 0.00 C ATOM 597 CG PRO A 37 7.908 -17.323 -4.027 1.00 0.00 C ATOM 598 CD PRO A 37 7.123 -16.188 -4.683 1.00 0.00 C ATOM 0 HA PRO A 37 6.036 -18.667 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.790 -19.451 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.345 -18.471 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.548 -17.537 -3.021 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.969 -17.087 -3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.775 -15.471 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.745 -15.638 -5.390 1.00 0.00 H new ATOM 606 N SER A 38 3.935 -19.055 -4.942 1.00 0.00 N ATOM 607 CA SER A 38 2.837 -19.662 -4.200 1.00 0.00 C ATOM 608 C SER A 38 1.570 -19.626 -5.052 1.00 0.00 C ATOM 609 O SER A 38 1.044 -20.661 -5.453 1.00 0.00 O ATOM 610 CB SER A 38 2.616 -18.891 -2.890 1.00 0.00 C ATOM 611 OG SER A 38 2.619 -17.496 -3.147 1.00 0.00 O ATOM 0 H SER A 38 3.639 -18.653 -5.832 1.00 0.00 H new ATOM 0 HA SER A 38 3.079 -20.698 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.668 -19.185 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.399 -19.140 -2.174 1.00 0.00 H new ATOM 0 HG SER A 38 2.476 -17.009 -2.309 1.00 0.00 H new ATOM 617 N LEU A 39 1.093 -18.409 -5.319 1.00 0.00 N ATOM 618 CA LEU A 39 -0.205 -18.116 -5.923 1.00 0.00 C ATOM 619 C LEU A 39 -0.491 -18.905 -7.205 1.00 0.00 C ATOM 620 O LEU A 39 -1.648 -19.202 -7.494 1.00 0.00 O ATOM 621 CB LEU A 39 -0.331 -16.609 -6.190 1.00 0.00 C ATOM 622 CG LEU A 39 -0.107 -15.717 -4.955 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.381 -14.263 -5.344 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.015 -16.099 -3.780 1.00 0.00 C ATOM 0 H LEU A 39 1.626 -17.564 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.955 -18.438 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.388 -16.329 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.324 -16.407 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 39 0.924 -15.854 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.226 -13.619 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.298 -13.966 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.411 -14.166 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.815 -15.438 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.058 -16.000 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.818 -17.130 -3.488 1.00 0.00 H new ATOM 636 N LEU A 40 0.542 -19.232 -7.987 1.00 0.00 N ATOM 637 CA LEU A 40 0.391 -19.996 -9.220 1.00 0.00 C ATOM 638 C LEU A 40 0.069 -21.481 -9.002 1.00 0.00 C ATOM 639 O LEU A 40 -0.400 -22.123 -9.939 1.00 0.00 O ATOM 640 CB LEU A 40 1.589 -19.793 -10.164 1.00 0.00 C ATOM 641 CG LEU A 40 3.013 -20.176 -9.706 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.680 -19.142 -8.790 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.181 -21.577 -9.112 1.00 0.00 C ATOM 0 H LEU A 40 1.506 -18.972 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.492 -19.587 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.381 -20.354 -11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.610 -18.738 -10.437 1.00 0.00 H new ATOM 0 HG LEU A 40 3.537 -20.186 -10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.676 -19.488 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.759 -18.189 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.079 -19.013 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.222 -21.729 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.546 -21.677 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.894 -22.323 -9.853 1.00 0.00 H new ATOM 655 N LYS A 41 0.323 -22.015 -7.799 1.00 0.00 N ATOM 656 CA LYS A 41 0.315 -23.426 -7.408 1.00 0.00 C ATOM 657 C LYS A 41 1.157 -24.342 -8.311 1.00 0.00 C ATOM 658 O LYS A 41 2.149 -24.898 -7.846 1.00 0.00 O ATOM 659 CB LYS A 41 -1.069 -23.990 -7.018 1.00 0.00 C ATOM 660 CG LYS A 41 -2.261 -23.663 -7.930 1.00 0.00 C ATOM 661 CD LYS A 41 -2.897 -22.325 -7.529 1.00 0.00 C ATOM 662 CE LYS A 41 -3.677 -21.696 -8.686 1.00 0.00 C ATOM 663 NZ LYS A 41 -4.159 -20.353 -8.324 1.00 0.00 N ATOM 0 H LYS A 41 0.560 -21.416 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 41 0.855 -23.430 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.983 -25.075 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.306 -23.632 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.930 -23.618 -8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.004 -24.458 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.565 -22.480 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.119 -21.637 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.040 -21.633 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.522 -22.332 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.581 -19.899 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.875 -20.432 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.362 -19.778 -7.983 1.00 0.00 H new ATOM 677 N GLY A 42 0.790 -24.506 -9.582 1.00 0.00 N ATOM 678 CA GLY A 42 1.547 -25.261 -10.571 1.00 0.00 C ATOM 679 C GLY A 42 1.840 -24.396 -11.796 1.00 0.00 C ATOM 680 O GLY A 42 1.263 -23.321 -11.962 1.00 0.00 O ATOM 0 H GLY A 42 -0.068 -24.104 -9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.482 -25.610 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.985 -26.146 -10.870 1.00 0.00 H new ATOM 684 N MET A 43 2.725 -24.868 -12.678 1.00 0.00 N ATOM 685 CA MET A 43 3.016 -24.166 -13.921 1.00 0.00 C ATOM 686 C MET A 43 1.776 -24.162 -14.816 1.00 0.00 C ATOM 687 O MET A 43 1.372 -23.115 -15.315 1.00 0.00 O ATOM 688 CB MET A 43 4.221 -24.800 -14.626 1.00 0.00 C ATOM 689 CG MET A 43 5.497 -24.670 -13.780 1.00 0.00 C ATOM 690 SD MET A 43 7.050 -25.013 -14.649 1.00 0.00 S ATOM 691 CE MET A 43 6.777 -26.718 -15.181 1.00 0.00 C ATOM 0 H MET A 43 3.250 -25.733 -12.550 1.00 0.00 H new ATOM 0 HA MET A 43 3.276 -23.131 -13.699 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.018 -25.853 -14.821 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.373 -24.320 -15.593 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.543 -23.658 -13.377 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.419 -25.349 -12.931 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.663 -27.083 -15.700 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.583 -27.344 -14.310 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.920 -26.756 -15.854 1.00 0.00 H new ATOM 701 N SER A 44 1.154 -25.328 -15.005 1.00 0.00 N ATOM 702 CA SER A 44 -0.033 -25.512 -15.827 1.00 0.00 C ATOM 703 C SER A 44 -1.124 -24.491 -15.490 1.00 0.00 C ATOM 704 O SER A 44 -1.715 -23.875 -16.376 1.00 0.00 O ATOM 705 CB SER A 44 -0.528 -26.948 -15.620 1.00 0.00 C ATOM 706 OG SER A 44 0.593 -27.803 -15.455 1.00 0.00 O ATOM 0 H SER A 44 1.477 -26.194 -14.574 1.00 0.00 H new ATOM 0 HA SER A 44 0.217 -25.348 -16.875 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.174 -27.001 -14.744 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.123 -27.268 -16.475 1.00 0.00 H new ATOM 0 HG SER A 44 0.285 -28.724 -15.320 1.00 0.00 H new ATOM 712 N THR A 45 -1.367 -24.275 -14.195 1.00 0.00 N ATOM 713 CA THR A 45 -2.353 -23.331 -13.701 1.00 0.00 C ATOM 714 C THR A 45 -2.083 -21.888 -14.140 1.00 0.00 C ATOM 715 O THR A 45 -2.974 -21.052 -13.996 1.00 0.00 O ATOM 716 CB THR A 45 -2.453 -23.475 -12.172 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.264 -24.044 -11.657 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.604 -24.410 -11.798 1.00 0.00 C ATOM 0 H THR A 45 -0.870 -24.765 -13.451 1.00 0.00 H new ATOM 0 HA THR A 45 -3.317 -23.572 -14.148 1.00 0.00 H new ATOM 0 HB THR A 45 -2.618 -22.481 -11.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.552 -23.370 -11.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.661 -24.501 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.541 -24.003 -12.178 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.431 -25.393 -12.236 1.00 0.00 H new ATOM 726 N LEU A 46 -0.914 -21.582 -14.720 1.00 0.00 N ATOM 727 CA LEU A 46 -0.686 -20.297 -15.366 1.00 0.00 C ATOM 728 C LEU A 46 -1.759 -20.096 -16.419 1.00 0.00 C ATOM 729 O LEU A 46 -2.312 -19.013 -16.519 1.00 0.00 O ATOM 730 CB LEU A 46 0.687 -20.239 -16.052 1.00 0.00 C ATOM 731 CG LEU A 46 0.940 -18.904 -16.791 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.377 -17.813 -15.808 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.013 -19.131 -17.858 1.00 0.00 C ATOM 0 H LEU A 46 -0.114 -22.214 -14.751 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.719 -19.519 -14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.466 -20.387 -15.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.766 -21.062 -16.763 1.00 0.00 H new ATOM 0 HG LEU A 46 0.017 -18.568 -17.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.549 -16.883 -16.350 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.596 -17.660 -15.064 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.297 -18.119 -15.310 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.202 -18.198 -18.388 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.933 -19.471 -17.382 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.669 -19.886 -18.565 1.00 0.00 H new ATOM 745 N ASP A 47 -2.046 -21.122 -17.220 1.00 0.00 N ATOM 746 CA ASP A 47 -3.014 -20.999 -18.295 1.00 0.00 C ATOM 747 C ASP A 47 -4.355 -20.526 -17.735 1.00 0.00 C ATOM 748 O ASP A 47 -4.938 -19.558 -18.219 1.00 0.00 O ATOM 749 CB ASP A 47 -3.133 -22.348 -19.006 1.00 0.00 C ATOM 750 CG ASP A 47 -1.892 -22.639 -19.844 1.00 0.00 C ATOM 751 OD1 ASP A 47 -1.870 -22.173 -21.004 1.00 0.00 O ATOM 752 OD2 ASP A 47 -0.980 -23.302 -19.307 1.00 0.00 O ATOM 0 H ASP A 47 -1.619 -22.045 -17.140 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.687 -20.255 -19.022 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.272 -23.140 -18.270 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.016 -22.349 -19.645 1.00 0.00 H new ATOM 757 N GLU A 48 -4.816 -21.194 -16.677 1.00 0.00 N ATOM 758 CA GLU A 48 -6.080 -20.888 -16.029 1.00 0.00 C ATOM 759 C GLU A 48 -6.042 -19.475 -15.441 1.00 0.00 C ATOM 760 O GLU A 48 -6.903 -18.644 -15.731 1.00 0.00 O ATOM 761 CB GLU A 48 -6.350 -21.928 -14.935 1.00 0.00 C ATOM 762 CG GLU A 48 -6.462 -23.350 -15.508 1.00 0.00 C ATOM 763 CD GLU A 48 -6.587 -24.385 -14.395 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.599 -24.317 -13.667 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.657 -25.214 -14.285 1.00 0.00 O ATOM 0 H GLU A 48 -4.313 -21.970 -16.246 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.887 -20.926 -16.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.547 -21.896 -14.198 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.272 -21.674 -14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.329 -23.413 -16.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.584 -23.570 -16.116 1.00 0.00 H new ATOM 772 N LEU A 49 -5.035 -19.211 -14.605 1.00 0.00 N ATOM 773 CA LEU A 49 -4.871 -17.931 -13.939 1.00 0.00 C ATOM 774 C LEU A 49 -4.853 -16.816 -14.982 1.00 0.00 C ATOM 775 O LEU A 49 -5.675 -15.909 -14.929 1.00 0.00 O ATOM 776 CB LEU A 49 -3.596 -17.958 -13.083 1.00 0.00 C ATOM 777 CG LEU A 49 -3.319 -16.645 -12.332 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.464 -16.270 -11.382 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.025 -16.801 -11.525 1.00 0.00 C ATOM 0 H LEU A 49 -4.309 -19.889 -14.374 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.708 -17.737 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.674 -18.769 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.744 -18.184 -13.725 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.227 -15.847 -13.069 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.224 -15.336 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.384 -16.146 -11.953 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.598 -17.061 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.818 -15.876 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.137 -17.618 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.199 -17.021 -12.201 1.00 0.00 H new ATOM 791 N PHE A 50 -3.945 -16.908 -15.953 1.00 0.00 N ATOM 792 CA PHE A 50 -3.807 -15.964 -17.048 1.00 0.00 C ATOM 793 C PHE A 50 -5.141 -15.767 -17.765 1.00 0.00 C ATOM 794 O PHE A 50 -5.541 -14.631 -18.002 1.00 0.00 O ATOM 795 CB PHE A 50 -2.719 -16.442 -18.017 1.00 0.00 C ATOM 796 CG PHE A 50 -2.168 -15.348 -18.905 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.782 -15.028 -20.130 1.00 0.00 C ATOM 798 CD2 PHE A 50 -0.998 -14.672 -18.518 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.196 -14.065 -20.969 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.512 -13.603 -19.282 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.067 -13.348 -20.541 1.00 0.00 C ATOM 0 H PHE A 50 -3.266 -17.668 -15.995 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.506 -14.997 -16.645 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.901 -16.878 -17.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.127 -17.235 -18.644 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.698 -15.519 -20.424 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.471 -14.978 -17.627 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.615 -13.876 -21.946 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.285 -12.981 -18.902 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.627 -12.600 -21.184 1.00 0.00 H new ATOM 811 N GLU A 51 -5.845 -16.857 -18.089 1.00 0.00 N ATOM 812 CA GLU A 51 -7.141 -16.768 -18.749 1.00 0.00 C ATOM 813 C GLU A 51 -8.131 -15.954 -17.911 1.00 0.00 C ATOM 814 O GLU A 51 -8.890 -15.156 -18.454 1.00 0.00 O ATOM 815 CB GLU A 51 -7.665 -18.178 -19.065 1.00 0.00 C ATOM 816 CG GLU A 51 -9.000 -18.177 -19.829 1.00 0.00 C ATOM 817 CD GLU A 51 -8.917 -17.445 -21.166 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.979 -17.759 -21.930 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.796 -16.589 -21.401 1.00 0.00 O ATOM 0 H GLU A 51 -5.534 -17.810 -17.902 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.025 -16.237 -19.694 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.919 -18.711 -19.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.789 -18.729 -18.133 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.315 -19.206 -20.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.766 -17.709 -19.211 1.00 0.00 H new ATOM 826 N GLU A 52 -8.130 -16.155 -16.594 1.00 0.00 N ATOM 827 CA GLU A 52 -9.027 -15.442 -15.692 1.00 0.00 C ATOM 828 C GLU A 52 -8.601 -13.973 -15.562 1.00 0.00 C ATOM 829 O GLU A 52 -9.430 -13.074 -15.471 1.00 0.00 O ATOM 830 CB GLU A 52 -9.033 -16.158 -14.331 1.00 0.00 C ATOM 831 CG GLU A 52 -10.107 -15.624 -13.373 1.00 0.00 C ATOM 832 CD GLU A 52 -11.521 -15.867 -13.895 1.00 0.00 C ATOM 833 OE1 GLU A 52 -11.887 -17.057 -14.004 1.00 0.00 O ATOM 834 OE2 GLU A 52 -12.209 -14.862 -14.177 1.00 0.00 O ATOM 0 H GLU A 52 -7.509 -16.815 -16.126 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.041 -15.445 -16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.194 -17.224 -14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.053 -16.049 -13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.994 -16.103 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.957 -14.555 -13.221 1.00 0.00 H new ATOM 841 N LEU A 53 -7.291 -13.747 -15.510 1.00 0.00 N ATOM 842 CA LEU A 53 -6.657 -12.473 -15.219 1.00 0.00 C ATOM 843 C LEU A 53 -6.778 -11.528 -16.420 1.00 0.00 C ATOM 844 O LEU A 53 -7.279 -10.410 -16.308 1.00 0.00 O ATOM 845 CB LEU A 53 -5.191 -12.793 -14.868 1.00 0.00 C ATOM 846 CG LEU A 53 -4.360 -11.728 -14.142 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.932 -12.286 -14.011 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.336 -10.382 -14.866 1.00 0.00 C ATOM 0 H LEU A 53 -6.612 -14.489 -15.679 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.137 -11.958 -14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.187 -13.692 -14.252 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.675 -13.040 -15.796 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.813 -11.529 -13.171 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.303 -11.559 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.955 -13.213 -13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.525 -12.482 -15.003 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.731 -9.675 -14.299 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.907 -10.511 -15.860 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.353 -9.999 -14.956 1.00 0.00 H new ATOM 860 N ASP A 54 -6.312 -11.974 -17.588 1.00 0.00 N ATOM 861 CA ASP A 54 -6.095 -11.144 -18.766 1.00 0.00 C ATOM 862 C ASP A 54 -7.377 -10.835 -19.551 1.00 0.00 C ATOM 863 O ASP A 54 -7.373 -10.843 -20.783 1.00 0.00 O ATOM 864 CB ASP A 54 -5.066 -11.861 -19.658 1.00 0.00 C ATOM 865 CG ASP A 54 -4.379 -10.931 -20.653 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.717 -9.730 -20.663 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.520 -11.436 -21.403 1.00 0.00 O ATOM 0 H ASP A 54 -6.069 -12.953 -17.741 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.727 -10.172 -18.437 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.310 -12.328 -19.026 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.564 -12.662 -20.204 1.00 0.00 H new ATOM 872 N LYS A 55 -8.487 -10.562 -18.867 1.00 0.00 N ATOM 873 CA LYS A 55 -9.789 -10.410 -19.512 1.00 0.00 C ATOM 874 C LYS A 55 -9.963 -9.011 -20.105 1.00 0.00 C ATOM 875 O LYS A 55 -10.812 -8.238 -19.667 1.00 0.00 O ATOM 876 CB LYS A 55 -10.914 -10.814 -18.550 1.00 0.00 C ATOM 877 CG LYS A 55 -10.842 -12.297 -18.145 1.00 0.00 C ATOM 878 CD LYS A 55 -11.650 -13.261 -19.033 1.00 0.00 C ATOM 879 CE LYS A 55 -11.220 -13.346 -20.505 1.00 0.00 C ATOM 880 NZ LYS A 55 -9.790 -13.677 -20.652 1.00 0.00 N ATOM 0 H LYS A 55 -8.509 -10.441 -17.854 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.844 -11.092 -20.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.862 -10.194 -17.655 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.877 -10.616 -19.020 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.798 -12.609 -18.155 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.194 -12.394 -17.118 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.589 -14.259 -18.600 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.698 -12.962 -18.998 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.820 -14.101 -21.013 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.423 -12.394 -20.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.285 -12.864 -21.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.388 -13.903 -19.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.687 -14.498 -21.281 1.00 0.00 H new ATOM 894 N ALA A 56 -9.172 -8.732 -21.144 1.00 0.00 N ATOM 895 CA ALA A 56 -9.245 -7.574 -22.030 1.00 0.00 C ATOM 896 C ALA A 56 -8.090 -7.665 -23.026 1.00 0.00 C ATOM 897 O ALA A 56 -8.287 -7.539 -24.231 1.00 0.00 O ATOM 898 CB ALA A 56 -9.192 -6.244 -21.265 1.00 0.00 C ATOM 0 H ALA A 56 -8.409 -9.357 -21.405 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.204 -7.589 -22.547 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.250 -5.416 -21.971 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.031 -6.189 -20.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.257 -6.182 -20.708 1.00 0.00 H new ATOM 904 N GLY A 57 -6.879 -7.885 -22.509 1.00 0.00 N ATOM 905 CA GLY A 57 -5.683 -8.052 -23.318 1.00 0.00 C ATOM 906 C GLY A 57 -5.648 -9.444 -23.948 1.00 0.00 C ATOM 907 O GLY A 57 -5.308 -9.585 -25.120 1.00 0.00 O ATOM 0 H GLY A 57 -6.706 -7.952 -21.506 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.658 -7.293 -24.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.797 -7.904 -22.701 1.00 0.00 H new ATOM 911 N ASP A 58 -5.995 -10.470 -23.162 1.00 0.00 N ATOM 912 CA ASP A 58 -6.116 -11.882 -23.524 1.00 0.00 C ATOM 913 C ASP A 58 -4.796 -12.561 -23.910 1.00 0.00 C ATOM 914 O ASP A 58 -4.522 -13.657 -23.429 1.00 0.00 O ATOM 915 CB ASP A 58 -7.252 -12.108 -24.529 1.00 0.00 C ATOM 916 CG ASP A 58 -8.606 -11.868 -23.864 1.00 0.00 C ATOM 917 OD1 ASP A 58 -8.990 -10.684 -23.748 1.00 0.00 O ATOM 918 OD2 ASP A 58 -9.227 -12.875 -23.459 1.00 0.00 O ATOM 0 H ASP A 58 -6.216 -10.319 -22.178 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.397 -12.403 -22.609 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.133 -11.436 -25.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.206 -13.125 -24.917 1.00 0.00 H new ATOM 923 N GLY A 59 -3.972 -11.939 -24.756 1.00 0.00 N ATOM 924 CA GLY A 59 -2.635 -12.420 -25.080 1.00 0.00 C ATOM 925 C GLY A 59 -1.596 -11.932 -24.074 1.00 0.00 C ATOM 926 O GLY A 59 -0.694 -12.688 -23.709 1.00 0.00 O ATOM 0 H GLY A 59 -4.222 -11.076 -25.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.636 -13.510 -25.101 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.360 -12.082 -26.079 1.00 0.00 H new ATOM 930 N GLU A 60 -1.690 -10.664 -23.657 1.00 0.00 N ATOM 931 CA GLU A 60 -0.734 -10.023 -22.766 1.00 0.00 C ATOM 932 C GLU A 60 -1.479 -9.174 -21.728 1.00 0.00 C ATOM 933 O GLU A 60 -2.415 -8.459 -22.077 1.00 0.00 O ATOM 934 CB GLU A 60 0.258 -9.186 -23.584 1.00 0.00 C ATOM 935 CG GLU A 60 0.918 -9.970 -24.727 1.00 0.00 C ATOM 936 CD GLU A 60 2.167 -9.260 -25.236 1.00 0.00 C ATOM 937 OE1 GLU A 60 3.182 -9.314 -24.507 1.00 0.00 O ATOM 938 OE2 GLU A 60 2.090 -8.690 -26.346 1.00 0.00 O ATOM 0 H GLU A 60 -2.452 -10.047 -23.939 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.164 -10.780 -22.227 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.262 -8.322 -23.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.033 -8.803 -22.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.181 -10.970 -24.381 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.208 -10.092 -25.545 1.00 0.00 H new ATOM 945 N VAL A 61 -1.054 -9.246 -20.465 1.00 0.00 N ATOM 946 CA VAL A 61 -1.699 -8.657 -19.300 1.00 0.00 C ATOM 947 C VAL A 61 -1.200 -7.229 -19.120 1.00 0.00 C ATOM 948 O VAL A 61 -0.015 -7.016 -18.868 1.00 0.00 O ATOM 949 CB VAL A 61 -1.360 -9.509 -18.060 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.768 -8.831 -16.745 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.095 -10.846 -18.130 1.00 0.00 C ATOM 0 H VAL A 61 -0.200 -9.747 -20.219 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.781 -8.636 -19.433 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.278 -9.642 -18.068 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.505 -9.476 -15.906 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.245 -7.880 -16.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.844 -8.655 -16.745 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.850 -11.442 -17.251 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.170 -10.669 -18.161 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.790 -11.382 -19.028 1.00 0.00 H new ATOM 961 N SER A 62 -2.107 -6.257 -19.223 1.00 0.00 N ATOM 962 CA SER A 62 -1.825 -4.847 -18.991 1.00 0.00 C ATOM 963 C SER A 62 -1.851 -4.539 -17.493 1.00 0.00 C ATOM 964 O SER A 62 -2.492 -5.267 -16.737 1.00 0.00 O ATOM 965 CB SER A 62 -2.806 -3.993 -19.803 1.00 0.00 C ATOM 966 OG SER A 62 -3.048 -4.586 -21.071 1.00 0.00 O ATOM 0 H SER A 62 -3.079 -6.436 -19.476 1.00 0.00 H new ATOM 0 HA SER A 62 -0.821 -4.599 -19.334 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.744 -3.889 -19.258 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.401 -2.990 -19.935 1.00 0.00 H new ATOM 0 HG SER A 62 -3.709 -5.303 -20.976 1.00 0.00 H new ATOM 972 N PHE A 63 -1.173 -3.475 -17.046 1.00 0.00 N ATOM 973 CA PHE A 63 -1.066 -3.149 -15.626 1.00 0.00 C ATOM 974 C PHE A 63 -2.445 -3.084 -14.974 1.00 0.00 C ATOM 975 O PHE A 63 -2.641 -3.535 -13.851 1.00 0.00 O ATOM 976 CB PHE A 63 -0.326 -1.819 -15.419 1.00 0.00 C ATOM 977 CG PHE A 63 -0.280 -1.384 -13.964 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.281 -2.242 -13.000 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.968 -0.228 -13.550 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.110 -1.974 -11.631 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.090 0.069 -12.181 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.567 -0.814 -11.220 1.00 0.00 C ATOM 0 H PHE A 63 -0.686 -2.821 -17.659 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.492 -3.944 -15.150 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.692 -1.914 -15.796 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.814 -1.043 -16.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.844 -3.109 -13.313 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.403 0.432 -14.285 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.500 -2.661 -10.894 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.586 0.976 -11.868 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.686 -0.601 -10.168 1.00 0.00 H new ATOM 992 N GLU A 64 -3.414 -2.547 -15.710 1.00 0.00 N ATOM 993 CA GLU A 64 -4.782 -2.404 -15.248 1.00 0.00 C ATOM 994 C GLU A 64 -5.385 -3.775 -14.936 1.00 0.00 C ATOM 995 O GLU A 64 -6.091 -3.938 -13.944 1.00 0.00 O ATOM 996 CB GLU A 64 -5.616 -1.643 -16.294 1.00 0.00 C ATOM 997 CG GLU A 64 -5.018 -0.283 -16.712 1.00 0.00 C ATOM 998 CD GLU A 64 -3.865 -0.361 -17.718 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.608 -1.475 -18.224 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.232 0.691 -17.953 1.00 0.00 O ATOM 0 H GLU A 64 -3.264 -2.196 -16.656 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.790 -1.823 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.724 -2.268 -17.181 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.617 -1.480 -15.895 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.812 0.329 -17.140 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.665 0.231 -15.818 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.084 -4.769 -15.775 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.538 -6.133 -15.563 1.00 0.00 C ATOM 1009 C GLU A 65 -4.745 -6.728 -14.398 1.00 0.00 C ATOM 1010 O GLU A 65 -5.307 -7.341 -13.495 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.357 -6.933 -16.858 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.159 -6.312 -18.010 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.814 -6.972 -19.336 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.796 -6.554 -19.934 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.579 -7.879 -19.728 1.00 0.00 O ATOM 0 H GLU A 65 -4.520 -4.645 -16.616 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.597 -6.164 -15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.300 -6.966 -17.123 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.679 -7.962 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.226 -6.419 -17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.951 -5.244 -18.067 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.430 -6.505 -14.389 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.558 -6.963 -13.317 1.00 0.00 C ATOM 1024 C PHE A 66 -3.050 -6.472 -11.957 1.00 0.00 C ATOM 1025 O PHE A 66 -3.022 -7.207 -10.979 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.124 -6.510 -13.572 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.121 -7.219 -12.692 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.453 -8.433 -13.114 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.274 -6.644 -11.470 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.468 -9.033 -12.352 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.262 -7.268 -10.693 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.885 -8.437 -11.153 1.00 0.00 C ATOM 0 H PHE A 66 -2.943 -6.000 -15.129 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.580 -8.053 -13.302 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.872 -6.687 -14.618 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.052 -5.435 -13.404 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.112 -8.903 -14.025 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.182 -5.725 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.927 -9.951 -12.688 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.543 -6.847 -9.739 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.688 -8.880 -10.582 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.536 -5.237 -11.876 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.073 -4.694 -10.641 1.00 0.00 C ATOM 1044 C GLN A 67 -5.248 -5.538 -10.119 1.00 0.00 C ATOM 1045 O GLN A 67 -5.471 -5.589 -8.911 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.454 -3.227 -10.869 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.583 -2.462 -9.546 1.00 0.00 C ATOM 1048 CD GLN A 67 -4.942 -0.999 -9.781 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -5.963 -0.522 -9.300 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.110 -0.273 -10.523 1.00 0.00 N ATOM 0 H GLN A 67 -3.567 -4.590 -12.664 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.313 -4.735 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.700 -2.748 -11.494 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.398 -3.176 -11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.348 -2.931 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.644 -2.524 -8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.268 -0.699 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.314 0.710 -10.705 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.988 -6.231 -10.993 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.971 -7.215 -10.543 1.00 0.00 C ATOM 1061 C VAL A 68 -6.249 -8.348 -9.806 1.00 0.00 C ATOM 1062 O VAL A 68 -6.665 -8.748 -8.718 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.841 -7.734 -11.704 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.970 -8.627 -11.172 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.469 -6.573 -12.488 1.00 0.00 C ATOM 0 H VAL A 68 -5.924 -6.128 -12.006 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.662 -6.734 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.191 -8.307 -12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.574 -8.985 -12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.542 -9.478 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.597 -8.053 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.077 -6.970 -13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.096 -5.981 -11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.680 -5.943 -12.899 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.133 -8.835 -10.362 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.285 -9.777 -9.644 1.00 0.00 C ATOM 1077 C LEU A 69 -3.864 -9.158 -8.312 1.00 0.00 C ATOM 1078 O LEU A 69 -3.995 -9.815 -7.291 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.076 -10.242 -10.477 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.342 -11.438 -9.842 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -3.122 -12.749 -10.004 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -0.951 -11.596 -10.463 1.00 0.00 C ATOM 0 H LEU A 69 -4.804 -8.592 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.862 -10.681 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.413 -10.517 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.379 -9.412 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.253 -11.229 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.565 -13.563 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.095 -12.655 -9.523 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.261 -12.961 -11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.443 -12.445 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.048 -11.766 -11.535 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.371 -10.690 -10.291 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.405 -7.902 -8.279 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.022 -7.258 -7.021 1.00 0.00 C ATOM 1096 C VAL A 70 -4.174 -7.288 -6.003 1.00 0.00 C ATOM 1097 O VAL A 70 -3.974 -7.632 -4.838 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.467 -5.838 -7.241 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.017 -5.212 -5.913 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.256 -5.866 -8.183 1.00 0.00 C ATOM 0 H VAL A 70 -3.291 -7.315 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.205 -7.839 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.270 -5.246 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.629 -4.210 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.866 -5.154 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.236 -5.827 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.881 -4.852 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.472 -6.486 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.554 -6.280 -9.146 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.393 -6.957 -6.432 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.555 -7.075 -5.560 1.00 0.00 C ATOM 1112 C LYS A 71 -6.737 -8.513 -5.051 1.00 0.00 C ATOM 1113 O LYS A 71 -7.181 -8.699 -3.921 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.807 -6.513 -6.246 1.00 0.00 C ATOM 1115 CG LYS A 71 -7.718 -4.980 -6.321 1.00 0.00 C ATOM 1116 CD LYS A 71 -8.988 -4.331 -6.891 1.00 0.00 C ATOM 1117 CE LYS A 71 -9.214 -4.616 -8.380 1.00 0.00 C ATOM 1118 NZ LYS A 71 -8.098 -4.123 -9.208 1.00 0.00 N ATOM 0 H LYS A 71 -5.597 -6.609 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.384 -6.467 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.901 -6.930 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.699 -6.808 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.531 -4.583 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.865 -4.701 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.851 -4.687 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.932 -3.253 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.332 -5.689 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.142 -4.145 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.360 -4.179 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.891 -3.135 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.254 -4.707 -9.037 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.364 -9.527 -5.840 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.313 -10.902 -5.353 1.00 0.00 C ATOM 1134 C LYS A 72 -5.173 -11.085 -4.336 1.00 0.00 C ATOM 1135 O LYS A 72 -5.424 -11.546 -3.223 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.218 -11.890 -6.528 1.00 0.00 C ATOM 1137 CG LYS A 72 -6.493 -13.333 -6.085 1.00 0.00 C ATOM 1138 CD LYS A 72 -6.324 -14.283 -7.277 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.581 -15.733 -6.853 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.403 -16.660 -7.984 1.00 0.00 N ATOM 0 H LYS A 72 -6.094 -9.417 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.241 -11.121 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.932 -11.605 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.225 -11.830 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.809 -13.614 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.503 -13.414 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.015 -14.003 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.317 -14.190 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.900 -16.005 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.593 -15.825 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.584 -17.634 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.070 -16.414 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.429 -16.588 -8.342 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.923 -10.756 -4.699 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.752 -11.017 -3.857 1.00 0.00 C ATOM 1156 C ILE A 73 -2.940 -10.405 -2.470 1.00 0.00 C ATOM 1157 O ILE A 73 -2.588 -11.024 -1.469 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.404 -10.620 -4.512 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -1.006 -9.148 -4.302 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -1.321 -11.027 -5.988 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.173 -8.671 -5.155 1.00 0.00 C ATOM 0 H ILE A 73 -3.699 -10.302 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.684 -12.099 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.658 -11.202 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.870 -8.519 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.758 -9.000 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.356 -10.724 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.428 -12.108 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.120 -10.538 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.379 -7.623 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.054 -9.269 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.074 -8.781 -6.211 1.00 0.00 H new ATOM 1173 N SER A 74 -3.527 -9.205 -2.425 1.00 0.00 N ATOM 1174 CA SER A 74 -3.887 -8.509 -1.196 1.00 0.00 C ATOM 1175 C SER A 74 -2.645 -8.042 -0.435 1.00 0.00 C ATOM 1176 O SER A 74 -2.548 -8.210 0.780 1.00 0.00 O ATOM 1177 CB SER A 74 -4.820 -9.363 -0.325 1.00 0.00 C ATOM 1178 OG SER A 74 -5.941 -9.803 -1.070 1.00 0.00 O ATOM 0 H SER A 74 -3.769 -8.682 -3.266 1.00 0.00 H new ATOM 0 HA SER A 74 -4.443 -7.612 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.275 -10.224 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.154 -8.783 0.535 1.00 0.00 H new ATOM 0 HG SER A 74 -5.648 -10.436 -1.758 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.681 -7.460 -1.154 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.544 -6.748 -0.573 1.00 0.00 C ATOM 1186 C GLN A 75 -0.695 -5.268 -0.924 1.00 0.00 C ATOM 1187 O GLN A 75 -0.480 -4.434 -0.017 1.00 0.00 O ATOM 1188 CB GLN A 75 0.797 -7.286 -1.099 1.00 0.00 C ATOM 1189 CG GLN A 75 1.297 -8.543 -0.371 1.00 0.00 C ATOM 1190 CD GLN A 75 0.503 -9.793 -0.723 1.00 0.00 C ATOM 1191 OE1 GLN A 75 0.835 -10.494 -1.673 1.00 0.00 O ATOM 1192 NE2 GLN A 75 -0.551 -10.084 0.028 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.999 -4.994 -2.106 1.00 0.00 O ATOM 0 H GLN A 75 -1.671 -7.472 -2.174 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.539 -6.894 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.695 -7.510 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.550 -6.503 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.346 -8.705 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.244 -8.377 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.801 -9.481 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.111 -10.911 -0.178 1.00 0.00 H new TER 1202 GLN A 75