USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 596 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 LYS N :NH3+ -145:sc= -0.0864 (180deg=-1.01) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 29:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.3!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.482 USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0946 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -139:sc= 0.8 USER MOD Single : A 45 THR OG1 : rot 139:sc= 1.32 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.28 K(o=1.3,f=-0.49) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.04 X(o=-2,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 1.14 (180deg=0.781) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.845 K(o=-0.85,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.126 6.391 -0.413 1.00 0.00 N ATOM 2 CA LYS A 1 -13.538 4.990 -0.405 1.00 0.00 C ATOM 3 C LYS A 1 -13.395 4.374 0.989 1.00 0.00 C ATOM 4 O LYS A 1 -12.771 4.963 1.868 1.00 0.00 O ATOM 5 CB LYS A 1 -12.738 4.206 -1.450 1.00 0.00 C ATOM 6 CG LYS A 1 -12.811 4.857 -2.825 1.00 0.00 C ATOM 7 CD LYS A 1 -11.975 4.066 -3.848 1.00 0.00 C ATOM 8 CE LYS A 1 -12.726 2.857 -4.433 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.660 3.234 -5.517 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.724 6.925 -1.076 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.228 6.788 0.543 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.132 6.459 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.595 4.937 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.697 4.139 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.120 3.187 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.849 4.905 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.447 5.883 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.680 4.731 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.058 3.721 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.003 2.136 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.281 2.360 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.139 2.383 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.368 3.901 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.130 3.684 -6.291 1.00 0.00 H new ATOM 23 N SER A 2 -13.966 3.195 1.209 1.00 0.00 N ATOM 24 CA SER A 2 -14.078 2.613 2.540 1.00 0.00 C ATOM 25 C SER A 2 -12.867 1.734 2.885 1.00 0.00 C ATOM 26 O SER A 2 -12.205 1.221 1.985 1.00 0.00 O ATOM 27 CB SER A 2 -15.419 1.829 2.694 1.00 0.00 C ATOM 28 OG SER A 2 -16.205 1.933 1.512 1.00 0.00 O ATOM 0 H SER A 2 -14.364 2.616 0.469 1.00 0.00 H new ATOM 0 HA SER A 2 -14.086 3.434 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.210 0.780 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.979 2.220 3.544 1.00 0.00 H new ATOM 0 HG SER A 2 -17.040 1.433 1.629 1.00 0.00 H new ATOM 34 N PRO A 3 -12.620 1.479 4.177 1.00 0.00 N ATOM 35 CA PRO A 3 -11.562 0.613 4.668 1.00 0.00 C ATOM 36 C PRO A 3 -11.548 -0.708 3.928 1.00 0.00 C ATOM 37 O PRO A 3 -10.512 -1.172 3.484 1.00 0.00 O ATOM 38 CB PRO A 3 -11.838 0.382 6.159 1.00 0.00 C ATOM 39 CG PRO A 3 -12.659 1.604 6.565 1.00 0.00 C ATOM 40 CD PRO A 3 -13.429 1.955 5.282 1.00 0.00 C ATOM 0 HA PRO A 3 -10.588 1.076 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.388 -0.544 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.913 0.312 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.334 1.379 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.022 2.427 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.411 1.482 5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.593 3.030 5.209 1.00 0.00 H new ATOM 48 N GLU A 4 -12.727 -1.292 3.780 1.00 0.00 N ATOM 49 CA GLU A 4 -12.987 -2.554 3.150 1.00 0.00 C ATOM 50 C GLU A 4 -12.549 -2.579 1.691 1.00 0.00 C ATOM 51 O GLU A 4 -11.920 -3.536 1.231 1.00 0.00 O ATOM 52 CB GLU A 4 -14.495 -2.718 3.207 1.00 0.00 C ATOM 53 CG GLU A 4 -15.030 -2.767 4.647 1.00 0.00 C ATOM 54 CD GLU A 4 -16.519 -2.562 4.598 1.00 0.00 C ATOM 55 OE1 GLU A 4 -17.209 -3.559 4.291 1.00 0.00 O ATOM 56 OE2 GLU A 4 -16.939 -1.397 4.835 1.00 0.00 O ATOM 0 H GLU A 4 -13.581 -0.855 4.126 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.436 -3.347 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.967 -1.891 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.777 -3.634 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.792 -3.725 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.559 -1.994 5.255 1.00 0.00 H new ATOM 63 N GLU A 5 -12.854 -1.516 0.949 1.00 0.00 N ATOM 64 CA GLU A 5 -12.475 -1.471 -0.449 1.00 0.00 C ATOM 65 C GLU A 5 -10.960 -1.349 -0.530 1.00 0.00 C ATOM 66 O GLU A 5 -10.334 -2.047 -1.320 1.00 0.00 O ATOM 67 CB GLU A 5 -13.190 -0.339 -1.186 1.00 0.00 C ATOM 68 CG GLU A 5 -14.687 -0.251 -0.854 1.00 0.00 C ATOM 69 CD GLU A 5 -15.538 -1.484 -1.140 1.00 0.00 C ATOM 70 OE1 GLU A 5 -15.079 -2.433 -1.828 1.00 0.00 O ATOM 71 OE2 GLU A 5 -16.726 -1.445 -0.733 1.00 0.00 O ATOM 0 H GLU A 5 -13.352 -0.694 1.289 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.784 -2.389 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.712 0.608 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.070 -0.481 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.785 -0.011 0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.108 0.586 -1.411 1.00 0.00 H new ATOM 78 N LEU A 6 -10.366 -0.534 0.348 1.00 0.00 N ATOM 79 CA LEU A 6 -8.913 -0.456 0.458 1.00 0.00 C ATOM 80 C LEU A 6 -8.324 -1.820 0.854 1.00 0.00 C ATOM 81 O LEU A 6 -7.272 -2.211 0.355 1.00 0.00 O ATOM 82 CB LEU A 6 -8.510 0.660 1.434 1.00 0.00 C ATOM 83 CG LEU A 6 -8.759 2.062 0.848 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.893 3.086 1.981 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.617 2.488 -0.082 1.00 0.00 C ATOM 0 H LEU A 6 -10.871 0.078 0.989 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.496 -0.201 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.072 0.550 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.455 0.556 1.687 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.682 2.022 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.069 4.075 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.730 2.811 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.975 3.101 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.823 3.482 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.681 2.507 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.534 1.778 -0.905 1.00 0.00 H new ATOM 97 N LYS A 7 -9.010 -2.570 1.719 1.00 0.00 N ATOM 98 CA LYS A 7 -8.648 -3.916 2.135 1.00 0.00 C ATOM 99 C LYS A 7 -8.710 -4.883 0.952 1.00 0.00 C ATOM 100 O LYS A 7 -7.878 -5.788 0.846 1.00 0.00 O ATOM 101 CB LYS A 7 -9.559 -4.336 3.302 1.00 0.00 C ATOM 102 CG LYS A 7 -8.986 -5.456 4.183 1.00 0.00 C ATOM 103 CD LYS A 7 -9.690 -5.470 5.549 1.00 0.00 C ATOM 104 CE LYS A 7 -9.016 -6.463 6.504 1.00 0.00 C ATOM 105 NZ LYS A 7 -9.596 -6.435 7.864 1.00 0.00 N ATOM 0 H LYS A 7 -9.866 -2.238 2.163 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.617 -3.939 2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.755 -3.464 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.518 -4.662 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.115 -6.419 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.915 -5.309 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.669 -4.471 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.738 -5.739 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.106 -7.470 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.951 -6.237 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.103 -7.125 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.488 -5.483 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.606 -6.677 7.816 1.00 0.00 H new ATOM 119 N GLY A 8 -9.687 -4.679 0.063 1.00 0.00 N ATOM 120 CA GLY A 8 -9.835 -5.421 -1.177 1.00 0.00 C ATOM 121 C GLY A 8 -8.695 -5.086 -2.139 1.00 0.00 C ATOM 122 O GLY A 8 -8.036 -5.979 -2.655 1.00 0.00 O ATOM 0 H GLY A 8 -10.412 -3.974 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.841 -6.491 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.792 -5.181 -1.640 1.00 0.00 H new ATOM 126 N ILE A 9 -8.441 -3.797 -2.364 1.00 0.00 N ATOM 127 CA ILE A 9 -7.352 -3.313 -3.201 1.00 0.00 C ATOM 128 C ILE A 9 -6.033 -3.906 -2.699 1.00 0.00 C ATOM 129 O ILE A 9 -5.319 -4.551 -3.462 1.00 0.00 O ATOM 130 CB ILE A 9 -7.361 -1.774 -3.212 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.607 -1.218 -3.929 1.00 0.00 C ATOM 132 CG2 ILE A 9 -6.077 -1.187 -3.809 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.517 -1.219 -5.459 1.00 0.00 C ATOM 0 H ILE A 9 -9.001 -3.047 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.477 -3.636 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.404 -1.459 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.475 -1.805 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.780 -0.197 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.133 -0.099 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.220 -1.514 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.964 -1.530 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.437 -0.811 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.672 -0.607 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.378 -2.240 -5.815 1.00 0.00 H new ATOM 145 N PHE A 10 -5.723 -3.727 -1.410 1.00 0.00 N ATOM 146 CA PHE A 10 -4.602 -4.387 -0.764 1.00 0.00 C ATOM 147 C PHE A 10 -4.608 -5.892 -1.072 1.00 0.00 C ATOM 148 O PHE A 10 -3.602 -6.411 -1.545 1.00 0.00 O ATOM 149 CB PHE A 10 -4.632 -4.088 0.740 1.00 0.00 C ATOM 150 CG PHE A 10 -3.534 -4.784 1.513 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.667 -6.147 1.791 1.00 0.00 C ATOM 152 CD2 PHE A 10 -2.260 -4.183 1.623 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.522 -6.964 1.787 1.00 0.00 C ATOM 154 CE2 PHE A 10 -1.136 -4.980 1.849 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.258 -6.382 1.782 1.00 0.00 C ATOM 0 H PHE A 10 -6.251 -3.114 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.664 -3.997 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.546 -3.012 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.598 -4.390 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.638 -6.568 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.156 -3.112 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.624 -8.039 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.182 -4.526 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.375 -7.002 1.727 1.00 0.00 H new ATOM 165 N GLU A 11 -5.723 -6.603 -0.844 1.00 0.00 N ATOM 166 CA GLU A 11 -5.818 -8.033 -1.147 1.00 0.00 C ATOM 167 C GLU A 11 -5.479 -8.330 -2.609 1.00 0.00 C ATOM 168 O GLU A 11 -4.962 -9.400 -2.935 1.00 0.00 O ATOM 169 CB GLU A 11 -7.241 -8.553 -0.856 1.00 0.00 C ATOM 170 CG GLU A 11 -7.299 -10.078 -0.692 1.00 0.00 C ATOM 171 CD GLU A 11 -8.729 -10.587 -0.845 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.439 -10.638 0.196 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.113 -10.920 -1.989 1.00 0.00 O ATOM 0 H GLU A 11 -6.575 -6.205 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.094 -8.540 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.616 -8.081 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.904 -8.255 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.658 -10.553 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.912 -10.358 0.288 1.00 0.00 H new ATOM 180 N LYS A 12 -5.874 -7.433 -3.505 1.00 0.00 N ATOM 181 CA LYS A 12 -5.734 -7.612 -4.933 1.00 0.00 C ATOM 182 C LYS A 12 -4.265 -7.432 -5.315 1.00 0.00 C ATOM 183 O LYS A 12 -3.677 -8.307 -5.948 1.00 0.00 O ATOM 184 CB LYS A 12 -6.714 -6.662 -5.639 1.00 0.00 C ATOM 185 CG LYS A 12 -6.981 -7.061 -7.091 1.00 0.00 C ATOM 186 CD LYS A 12 -8.393 -6.646 -7.528 1.00 0.00 C ATOM 187 CE LYS A 12 -8.649 -5.131 -7.423 1.00 0.00 C ATOM 188 NZ LYS A 12 -9.867 -4.708 -8.154 1.00 0.00 N ATOM 0 H LYS A 12 -6.308 -6.546 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.999 -8.618 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.656 -6.647 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.314 -5.649 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.243 -6.592 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.865 -8.139 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.553 -6.963 -8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.124 -7.173 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.745 -4.854 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.787 -4.592 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.994 -3.681 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.768 -4.946 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.695 -5.200 -7.762 1.00 0.00 H new ATOM 202 N TYR A 13 -3.641 -6.326 -4.899 1.00 0.00 N ATOM 203 CA TYR A 13 -2.243 -6.097 -5.213 1.00 0.00 C ATOM 204 C TYR A 13 -1.318 -7.052 -4.464 1.00 0.00 C ATOM 205 O TYR A 13 -0.396 -7.574 -5.082 1.00 0.00 O ATOM 206 CB TYR A 13 -1.877 -4.628 -5.034 1.00 0.00 C ATOM 207 CG TYR A 13 -2.345 -3.782 -6.201 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.668 -3.308 -6.252 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.435 -3.419 -7.209 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.096 -2.512 -7.329 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.875 -2.661 -8.304 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.208 -2.227 -8.378 1.00 0.00 C ATOM 213 OH TYR A 13 -3.647 -1.596 -9.506 1.00 0.00 O ATOM 0 H TYR A 13 -4.082 -5.588 -4.351 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.093 -6.327 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.322 -4.253 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.796 -4.534 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.359 -3.557 -5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.401 -3.723 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.103 -2.122 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.184 -2.410 -9.095 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.407 -1.019 -9.283 1.00 0.00 H new ATOM 223 N ALA A 14 -1.549 -7.337 -3.175 1.00 0.00 N ATOM 224 CA ALA A 14 -0.688 -8.264 -2.430 1.00 0.00 C ATOM 225 C ALA A 14 -0.465 -9.599 -3.149 1.00 0.00 C ATOM 226 O ALA A 14 0.599 -10.223 -3.017 1.00 0.00 O ATOM 227 CB ALA A 14 -1.314 -8.541 -1.070 1.00 0.00 C ATOM 0 H ALA A 14 -2.317 -6.943 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 14 0.285 -7.782 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.680 -9.229 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.411 -7.607 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.300 -8.986 -1.207 1.00 0.00 H new ATOM 233 N ALA A 15 -1.504 -10.026 -3.874 1.00 0.00 N ATOM 234 CA ALA A 15 -1.587 -11.296 -4.565 1.00 0.00 C ATOM 235 C ALA A 15 -1.034 -11.233 -5.990 1.00 0.00 C ATOM 236 O ALA A 15 -1.202 -12.213 -6.720 1.00 0.00 O ATOM 237 CB ALA A 15 -3.046 -11.765 -4.555 1.00 0.00 C ATOM 0 H ALA A 15 -2.345 -9.461 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.960 -12.016 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.124 -12.721 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.384 -11.881 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.669 -11.027 -5.060 1.00 0.00 H new ATOM 243 N LYS A 16 -0.379 -10.139 -6.413 1.00 0.00 N ATOM 244 CA LYS A 16 0.419 -10.136 -7.624 1.00 0.00 C ATOM 245 C LYS A 16 1.376 -11.319 -7.646 1.00 0.00 C ATOM 246 O LYS A 16 1.210 -12.212 -8.478 1.00 0.00 O ATOM 247 CB LYS A 16 1.174 -8.806 -7.794 1.00 0.00 C ATOM 248 CG LYS A 16 1.149 -8.322 -9.242 1.00 0.00 C ATOM 249 CD LYS A 16 -0.263 -7.983 -9.736 1.00 0.00 C ATOM 250 CE LYS A 16 -1.040 -7.059 -8.793 1.00 0.00 C ATOM 251 NZ LYS A 16 -2.153 -6.431 -9.526 1.00 0.00 N ATOM 0 H LYS A 16 -0.395 -9.245 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.260 -10.237 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.727 -8.049 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.207 -8.930 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.782 -7.440 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.578 -9.092 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.192 -7.511 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.824 -8.908 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.423 -7.627 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.378 -6.293 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.680 -5.804 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.776 -5.877 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.789 -7.169 -9.890 1.00 0.00 H new ATOM 265 N GLU A 17 2.361 -11.331 -6.750 1.00 0.00 N ATOM 266 CA GLU A 17 3.349 -12.401 -6.703 1.00 0.00 C ATOM 267 C GLU A 17 3.744 -12.670 -5.247 1.00 0.00 C ATOM 268 O GLU A 17 3.176 -12.063 -4.329 1.00 0.00 O ATOM 269 CB GLU A 17 4.558 -12.011 -7.581 1.00 0.00 C ATOM 270 CG GLU A 17 4.587 -12.644 -8.986 1.00 0.00 C ATOM 271 CD GLU A 17 3.809 -11.887 -10.048 1.00 0.00 C ATOM 272 OE1 GLU A 17 3.864 -10.644 -10.065 1.00 0.00 O ATOM 273 OE2 GLU A 17 3.219 -12.584 -10.924 1.00 0.00 O ATOM 0 H GLU A 17 2.494 -10.607 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 17 2.935 -13.327 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.572 -10.926 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.472 -12.291 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.625 -12.728 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.190 -13.657 -8.920 1.00 0.00 H new ATOM 280 N GLY A 18 4.732 -13.562 -5.082 1.00 0.00 N ATOM 281 CA GLY A 18 5.553 -13.817 -3.900 1.00 0.00 C ATOM 282 C GLY A 18 4.927 -13.343 -2.594 1.00 0.00 C ATOM 283 O GLY A 18 4.907 -12.143 -2.319 1.00 0.00 O ATOM 0 H GLY A 18 4.998 -14.179 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.748 -14.887 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.517 -13.325 -4.028 1.00 0.00 H new ATOM 287 N ASP A 19 4.402 -14.270 -1.792 1.00 0.00 N ATOM 288 CA ASP A 19 3.682 -13.967 -0.563 1.00 0.00 C ATOM 289 C ASP A 19 2.373 -13.236 -0.911 1.00 0.00 C ATOM 290 O ASP A 19 2.398 -12.046 -1.257 1.00 0.00 O ATOM 291 CB ASP A 19 4.572 -13.183 0.413 1.00 0.00 C ATOM 292 CG ASP A 19 4.080 -13.261 1.841 1.00 0.00 C ATOM 293 OD1 ASP A 19 2.953 -12.792 2.114 1.00 0.00 O ATOM 294 OD2 ASP A 19 4.841 -13.810 2.679 1.00 0.00 O ATOM 0 H ASP A 19 4.469 -15.269 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 19 3.417 -14.890 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.590 -13.570 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.612 -12.139 0.103 1.00 0.00 H new ATOM 299 N PRO A 20 1.233 -13.946 -0.899 1.00 0.00 N ATOM 300 CA PRO A 20 -0.056 -13.383 -1.259 1.00 0.00 C ATOM 301 C PRO A 20 -0.697 -12.651 -0.075 1.00 0.00 C ATOM 302 O PRO A 20 -1.754 -12.037 -0.233 1.00 0.00 O ATOM 303 CB PRO A 20 -0.893 -14.579 -1.710 1.00 0.00 C ATOM 304 CG PRO A 20 -0.389 -15.697 -0.800 1.00 0.00 C ATOM 305 CD PRO A 20 1.101 -15.378 -0.655 1.00 0.00 C ATOM 0 HA PRO A 20 0.029 -12.632 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.960 -14.400 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.735 -14.811 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.898 -15.693 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.550 -16.680 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.460 -15.639 0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.694 -15.951 -1.368 1.00 0.00 H new ATOM 313 N ASN A 21 -0.080 -12.689 1.113 1.00 0.00 N ATOM 314 CA ASN A 21 -0.501 -11.835 2.206 1.00 0.00 C ATOM 315 C ASN A 21 0.136 -10.479 1.962 1.00 0.00 C ATOM 316 O ASN A 21 -0.567 -9.473 1.950 1.00 0.00 O ATOM 317 CB ASN A 21 -0.073 -12.418 3.558 1.00 0.00 C ATOM 318 CG ASN A 21 0.032 -11.337 4.637 1.00 0.00 C ATOM 319 OD1 ASN A 21 -0.850 -10.497 4.775 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.115 -11.327 5.402 1.00 0.00 N ATOM 0 H ASN A 21 0.706 -13.301 1.331 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.587 -11.752 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.792 -13.175 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.890 -12.918 3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.225 -10.612 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.838 -12.035 5.272 1.00 0.00 H new ATOM 327 N GLN A 22 1.455 -10.449 1.765 1.00 0.00 N ATOM 328 CA GLN A 22 2.162 -9.183 1.717 1.00 0.00 C ATOM 329 C GLN A 22 2.077 -8.461 0.371 1.00 0.00 C ATOM 330 O GLN A 22 2.034 -9.079 -0.700 1.00 0.00 O ATOM 331 CB GLN A 22 3.639 -9.388 2.043 1.00 0.00 C ATOM 332 CG GLN A 22 3.884 -9.765 3.499 1.00 0.00 C ATOM 333 CD GLN A 22 5.328 -10.181 3.716 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.044 -10.562 2.789 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.776 -10.125 4.957 1.00 0.00 N ATOM 0 H GLN A 22 2.040 -11.275 1.639 1.00 0.00 H new ATOM 0 HA GLN A 22 1.665 -8.557 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.042 -10.170 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.186 -8.473 1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.645 -8.919 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.220 -10.581 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.163 -9.806 5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.736 -10.401 5.166 1.00 0.00 H new ATOM 344 N LEU A 23 2.177 -7.132 0.480 1.00 0.00 N ATOM 345 CA LEU A 23 2.662 -6.228 -0.538 1.00 0.00 C ATOM 346 C LEU A 23 4.180 -6.208 -0.422 1.00 0.00 C ATOM 347 O LEU A 23 4.691 -5.686 0.573 1.00 0.00 O ATOM 348 CB LEU A 23 2.143 -4.816 -0.241 1.00 0.00 C ATOM 349 CG LEU A 23 0.791 -4.511 -0.887 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.354 -3.098 -0.476 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.823 -4.547 -2.420 1.00 0.00 C ATOM 0 H LEU A 23 1.904 -6.643 1.332 1.00 0.00 H new ATOM 0 HA LEU A 23 2.334 -6.542 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.057 -4.689 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.875 -4.088 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 23 0.103 -5.284 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.610 -2.868 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.265 -3.046 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.096 -2.375 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.170 -4.322 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.534 -3.806 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.128 -5.539 -2.754 1.00 0.00 H new ATOM 363 N SER A 24 4.905 -6.746 -1.406 1.00 0.00 N ATOM 364 CA SER A 24 6.346 -6.512 -1.445 1.00 0.00 C ATOM 365 C SER A 24 6.665 -5.085 -1.884 1.00 0.00 C ATOM 366 O SER A 24 5.811 -4.402 -2.448 1.00 0.00 O ATOM 367 CB SER A 24 7.112 -7.573 -2.237 1.00 0.00 C ATOM 368 OG SER A 24 6.695 -7.659 -3.586 1.00 0.00 O ATOM 0 H SER A 24 4.534 -7.325 -2.159 1.00 0.00 H new ATOM 0 HA SER A 24 6.710 -6.618 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.177 -7.345 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.979 -8.543 -1.758 1.00 0.00 H new ATOM 0 HG SER A 24 7.217 -8.349 -4.046 1.00 0.00 H new ATOM 374 N LYS A 25 7.893 -4.619 -1.631 1.00 0.00 N ATOM 375 CA LYS A 25 8.328 -3.301 -2.076 1.00 0.00 C ATOM 376 C LYS A 25 8.042 -3.075 -3.564 1.00 0.00 C ATOM 377 O LYS A 25 7.375 -2.102 -3.914 1.00 0.00 O ATOM 378 CB LYS A 25 9.786 -3.101 -1.654 1.00 0.00 C ATOM 379 CG LYS A 25 10.407 -1.810 -2.208 1.00 0.00 C ATOM 380 CD LYS A 25 11.752 -1.471 -1.551 1.00 0.00 C ATOM 381 CE LYS A 25 11.548 -0.838 -0.169 1.00 0.00 C ATOM 382 NZ LYS A 25 12.813 -0.396 0.447 1.00 0.00 N ATOM 0 H LYS A 25 8.602 -5.142 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 25 7.745 -2.520 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.843 -3.086 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.375 -3.954 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.548 -1.912 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.714 -0.983 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.352 -2.376 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.310 -0.786 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.876 0.015 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.061 -1.559 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.620 0.366 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.257 -1.197 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.455 -0.046 -0.292 1.00 0.00 H new ATOM 396 N GLU A 26 8.497 -3.978 -4.439 1.00 0.00 N ATOM 397 CA GLU A 26 8.095 -3.938 -5.854 1.00 0.00 C ATOM 398 C GLU A 26 6.568 -3.823 -5.979 1.00 0.00 C ATOM 399 O GLU A 26 6.048 -2.991 -6.711 1.00 0.00 O ATOM 400 CB GLU A 26 8.585 -5.172 -6.642 1.00 0.00 C ATOM 401 CG GLU A 26 8.482 -4.918 -8.158 1.00 0.00 C ATOM 402 CD GLU A 26 8.452 -6.178 -9.009 1.00 0.00 C ATOM 403 OE1 GLU A 26 8.926 -7.246 -8.558 1.00 0.00 O ATOM 404 OE2 GLU A 26 7.976 -6.067 -10.167 1.00 0.00 O ATOM 0 H GLU A 26 9.135 -4.737 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 26 8.568 -3.057 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.618 -5.396 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.989 -6.044 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.579 -4.340 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.328 -4.305 -8.469 1.00 0.00 H new ATOM 411 N GLU A 27 5.832 -4.681 -5.281 1.00 0.00 N ATOM 412 CA GLU A 27 4.392 -4.804 -5.446 1.00 0.00 C ATOM 413 C GLU A 27 3.658 -3.531 -5.003 1.00 0.00 C ATOM 414 O GLU A 27 2.599 -3.213 -5.541 1.00 0.00 O ATOM 415 CB GLU A 27 3.965 -6.036 -4.653 1.00 0.00 C ATOM 416 CG GLU A 27 2.762 -6.834 -5.155 1.00 0.00 C ATOM 417 CD GLU A 27 2.717 -8.118 -4.342 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.098 -8.069 -3.153 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.450 -9.231 -4.850 1.00 0.00 O ATOM 0 H GLU A 27 6.222 -5.313 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 27 4.128 -4.926 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.818 -6.713 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.752 -5.718 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.841 -6.265 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.860 -7.053 -6.218 1.00 0.00 H new ATOM 426 N LEU A 28 4.214 -2.768 -4.052 1.00 0.00 N ATOM 427 CA LEU A 28 3.660 -1.459 -3.738 1.00 0.00 C ATOM 428 C LEU A 28 3.667 -0.565 -4.983 1.00 0.00 C ATOM 429 O LEU A 28 2.657 0.056 -5.303 1.00 0.00 O ATOM 430 CB LEU A 28 4.421 -0.809 -2.568 1.00 0.00 C ATOM 431 CG LEU A 28 3.768 0.507 -2.098 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.335 0.319 -1.582 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.586 1.166 -0.981 1.00 0.00 C ATOM 0 H LEU A 28 5.030 -3.034 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 28 2.624 -1.584 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.463 -1.508 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.449 -0.613 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 28 3.741 1.143 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.933 1.282 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.713 -0.092 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.340 -0.367 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.100 2.091 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.652 0.488 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.589 1.388 -1.347 1.00 0.00 H new ATOM 445 N LYS A 29 4.797 -0.502 -5.695 1.00 0.00 N ATOM 446 CA LYS A 29 5.009 0.389 -6.841 1.00 0.00 C ATOM 447 C LYS A 29 3.812 0.418 -7.799 1.00 0.00 C ATOM 448 O LYS A 29 3.201 1.455 -8.037 1.00 0.00 O ATOM 449 CB LYS A 29 6.291 -0.025 -7.569 1.00 0.00 C ATOM 450 CG LYS A 29 6.502 0.759 -8.859 1.00 0.00 C ATOM 451 CD LYS A 29 7.967 0.601 -9.272 1.00 0.00 C ATOM 452 CE LYS A 29 8.224 1.268 -10.626 1.00 0.00 C ATOM 453 NZ LYS A 29 9.367 0.648 -11.326 1.00 0.00 N ATOM 0 H LYS A 29 5.609 -1.083 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 29 5.113 1.406 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.146 0.127 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.249 -1.090 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.842 0.388 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.259 1.811 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.613 1.044 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.222 -0.457 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.331 1.191 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.419 2.330 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.514 1.123 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.224 0.744 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.169 -0.360 -11.488 1.00 0.00 H new ATOM 467 N LEU A 30 3.501 -0.732 -8.381 1.00 0.00 N ATOM 468 CA LEU A 30 2.365 -0.923 -9.276 1.00 0.00 C ATOM 469 C LEU A 30 1.082 -0.334 -8.674 1.00 0.00 C ATOM 470 O LEU A 30 0.346 0.387 -9.355 1.00 0.00 O ATOM 471 CB LEU A 30 2.180 -2.403 -9.669 1.00 0.00 C ATOM 472 CG LEU A 30 3.046 -3.440 -8.931 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.373 -4.811 -9.003 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.447 -3.551 -9.542 1.00 0.00 C ATOM 0 H LEU A 30 4.046 -1.582 -8.240 1.00 0.00 H new ATOM 0 HA LEU A 30 2.582 -0.379 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.133 -2.665 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.378 -2.496 -10.737 1.00 0.00 H new ATOM 0 HG LEU A 30 3.145 -3.110 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.986 -5.545 -8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.390 -4.759 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.262 -5.107 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.026 -4.293 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.366 -3.855 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.947 -2.584 -9.483 1.00 0.00 H new ATOM 486 N LEU A 31 0.837 -0.629 -7.392 1.00 0.00 N ATOM 487 CA LEU A 31 -0.276 -0.088 -6.620 1.00 0.00 C ATOM 488 C LEU A 31 -0.278 1.441 -6.717 1.00 0.00 C ATOM 489 O LEU A 31 -1.276 2.042 -7.121 1.00 0.00 O ATOM 490 CB LEU A 31 -0.179 -0.550 -5.151 1.00 0.00 C ATOM 491 CG LEU A 31 -1.501 -0.880 -4.444 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.287 -0.880 -2.930 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.666 0.042 -4.785 1.00 0.00 C ATOM 0 H LEU A 31 1.424 -1.266 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.215 -0.461 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.457 -1.434 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.326 0.230 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.786 -1.866 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.227 -1.114 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.540 -1.629 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.942 0.104 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.553 -0.274 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.413 1.065 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.866 -0.005 -5.855 1.00 0.00 H new ATOM 505 N LEU A 32 0.857 2.062 -6.372 1.00 0.00 N ATOM 506 CA LEU A 32 1.027 3.511 -6.414 1.00 0.00 C ATOM 507 C LEU A 32 0.661 4.047 -7.794 1.00 0.00 C ATOM 508 O LEU A 32 -0.063 5.037 -7.920 1.00 0.00 O ATOM 509 CB LEU A 32 2.486 3.927 -6.157 1.00 0.00 C ATOM 510 CG LEU A 32 3.174 3.382 -4.903 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.600 3.938 -4.834 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.403 3.719 -3.622 1.00 0.00 C ATOM 0 H LEU A 32 1.688 1.564 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 32 0.379 3.917 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.077 3.625 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.521 5.016 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 32 3.199 2.295 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.097 3.554 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.154 3.629 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.564 5.027 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.932 3.310 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.324 4.801 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.404 3.285 -3.674 1.00 0.00 H new ATOM 524 N GLN A 33 1.244 3.433 -8.825 1.00 0.00 N ATOM 525 CA GLN A 33 1.217 3.918 -10.179 1.00 0.00 C ATOM 526 C GLN A 33 -0.206 3.849 -10.730 1.00 0.00 C ATOM 527 O GLN A 33 -0.690 4.805 -11.339 1.00 0.00 O ATOM 528 CB GLN A 33 2.212 3.067 -10.968 1.00 0.00 C ATOM 529 CG GLN A 33 3.662 3.492 -10.671 1.00 0.00 C ATOM 530 CD GLN A 33 4.700 2.796 -11.548 1.00 0.00 C ATOM 531 OE1 GLN A 33 5.698 3.401 -11.934 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.500 1.519 -11.865 1.00 0.00 N ATOM 0 H GLN A 33 1.760 2.559 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 33 1.509 4.966 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.078 2.016 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.013 3.164 -12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.750 4.570 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.885 3.283 -9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.665 1.036 -11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.182 1.023 -12.439 1.00 0.00 H new ATOM 541 N THR A 34 -0.883 2.725 -10.505 1.00 0.00 N ATOM 542 CA THR A 34 -2.247 2.565 -10.969 1.00 0.00 C ATOM 543 C THR A 34 -3.220 3.389 -10.110 1.00 0.00 C ATOM 544 O THR A 34 -3.966 4.229 -10.629 1.00 0.00 O ATOM 545 CB THR A 34 -2.601 1.073 -10.979 1.00 0.00 C ATOM 546 OG1 THR A 34 -1.745 0.357 -11.857 1.00 0.00 O ATOM 547 CG2 THR A 34 -4.040 0.894 -11.452 1.00 0.00 C ATOM 0 H THR A 34 -0.506 1.919 -10.006 1.00 0.00 H new ATOM 0 HA THR A 34 -2.337 2.946 -11.986 1.00 0.00 H new ATOM 0 HB THR A 34 -2.480 0.687 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.987 -0.593 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.291 -0.167 -11.459 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.713 1.422 -10.777 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.145 1.298 -12.459 1.00 0.00 H new ATOM 555 N GLU A 35 -3.289 3.096 -8.811 1.00 0.00 N ATOM 556 CA GLU A 35 -4.456 3.439 -8.015 1.00 0.00 C ATOM 557 C GLU A 35 -4.379 4.855 -7.428 1.00 0.00 C ATOM 558 O GLU A 35 -5.403 5.547 -7.402 1.00 0.00 O ATOM 559 CB GLU A 35 -4.664 2.375 -6.929 1.00 0.00 C ATOM 560 CG GLU A 35 -4.864 0.933 -7.453 1.00 0.00 C ATOM 561 CD GLU A 35 -6.048 0.693 -8.380 1.00 0.00 C ATOM 562 OE1 GLU A 35 -7.056 1.432 -8.262 1.00 0.00 O ATOM 563 OE2 GLU A 35 -5.948 -0.233 -9.226 1.00 0.00 O ATOM 0 H GLU A 35 -2.549 2.622 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.325 3.447 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.802 2.386 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.533 2.652 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.957 0.634 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.967 0.271 -6.593 1.00 0.00 H new ATOM 570 N PHE A 36 -3.198 5.290 -6.957 1.00 0.00 N ATOM 571 CA PHE A 36 -3.074 6.483 -6.109 1.00 0.00 C ATOM 572 C PHE A 36 -2.336 7.706 -6.691 1.00 0.00 C ATOM 573 O PHE A 36 -1.953 8.577 -5.909 1.00 0.00 O ATOM 574 CB PHE A 36 -2.422 6.060 -4.785 1.00 0.00 C ATOM 575 CG PHE A 36 -3.313 5.279 -3.846 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.125 5.988 -2.943 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.180 3.886 -3.719 1.00 0.00 C ATOM 578 CE1 PHE A 36 -4.726 5.328 -1.863 1.00 0.00 C ATOM 579 CE2 PHE A 36 -3.829 3.212 -2.669 1.00 0.00 C ATOM 580 CZ PHE A 36 -4.580 3.937 -1.726 1.00 0.00 C ATOM 0 H PHE A 36 -2.310 4.827 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.094 6.850 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.542 5.458 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.073 6.954 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.286 7.047 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.580 3.333 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.300 5.886 -1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.751 2.138 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.044 3.425 -0.897 1.00 0.00 H new ATOM 590 N PRO A 37 -2.132 7.876 -8.007 1.00 0.00 N ATOM 591 CA PRO A 37 -1.254 8.931 -8.495 1.00 0.00 C ATOM 592 C PRO A 37 -1.762 10.344 -8.187 1.00 0.00 C ATOM 593 O PRO A 37 -0.968 11.286 -8.197 1.00 0.00 O ATOM 594 CB PRO A 37 -1.084 8.676 -9.996 1.00 0.00 C ATOM 595 CG PRO A 37 -2.344 7.899 -10.374 1.00 0.00 C ATOM 596 CD PRO A 37 -2.663 7.099 -9.111 1.00 0.00 C ATOM 0 HA PRO A 37 -0.295 8.895 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.006 9.609 -10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.181 8.102 -10.205 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.162 8.567 -10.643 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.171 7.246 -11.230 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.737 6.950 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.206 6.110 -9.149 1.00 0.00 H new ATOM 604 N SER A 38 -3.057 10.524 -7.901 1.00 0.00 N ATOM 605 CA SER A 38 -3.560 11.822 -7.476 1.00 0.00 C ATOM 606 C SER A 38 -3.073 12.161 -6.068 1.00 0.00 C ATOM 607 O SER A 38 -2.432 13.186 -5.858 1.00 0.00 O ATOM 608 CB SER A 38 -5.086 11.873 -7.593 1.00 0.00 C ATOM 609 OG SER A 38 -5.712 11.004 -6.663 1.00 0.00 O ATOM 0 H SER A 38 -3.764 9.791 -7.957 1.00 0.00 H new ATOM 0 HA SER A 38 -3.161 12.588 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.430 12.894 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.383 11.598 -8.605 1.00 0.00 H new ATOM 0 HG SER A 38 -6.685 11.063 -6.764 1.00 0.00 H new ATOM 615 N LEU A 39 -3.366 11.287 -5.105 1.00 0.00 N ATOM 616 CA LEU A 39 -2.964 11.406 -3.722 1.00 0.00 C ATOM 617 C LEU A 39 -1.438 11.490 -3.620 1.00 0.00 C ATOM 618 O LEU A 39 -0.904 12.267 -2.821 1.00 0.00 O ATOM 619 CB LEU A 39 -3.577 10.203 -2.982 1.00 0.00 C ATOM 620 CG LEU A 39 -4.953 10.558 -2.393 1.00 0.00 C ATOM 621 CD1 LEU A 39 -5.756 9.287 -2.099 1.00 0.00 C ATOM 622 CD2 LEU A 39 -4.805 11.367 -1.096 1.00 0.00 C ATOM 0 H LEU A 39 -3.913 10.445 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.327 12.323 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.678 9.363 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.907 9.884 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.481 11.161 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.726 9.558 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.901 8.726 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.213 8.671 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.793 11.605 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.252 10.780 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.265 12.291 -1.303 1.00 0.00 H new ATOM 634 N LEU A 40 -0.731 10.737 -4.472 1.00 0.00 N ATOM 635 CA LEU A 40 0.728 10.722 -4.512 1.00 0.00 C ATOM 636 C LEU A 40 1.251 11.925 -5.291 1.00 0.00 C ATOM 637 O LEU A 40 1.909 11.806 -6.327 1.00 0.00 O ATOM 638 CB LEU A 40 1.245 9.398 -5.075 1.00 0.00 C ATOM 639 CG LEU A 40 0.771 8.203 -4.241 1.00 0.00 C ATOM 640 CD1 LEU A 40 1.159 6.921 -4.962 1.00 0.00 C ATOM 641 CD2 LEU A 40 1.356 8.185 -2.822 1.00 0.00 C ATOM 0 H LEU A 40 -1.164 10.117 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 40 1.109 10.802 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.904 9.282 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.335 9.414 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.310 8.288 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.828 6.061 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.686 6.898 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.242 6.884 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.981 7.314 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.444 8.136 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.060 9.092 -2.295 1.00 0.00 H new ATOM 653 N LYS A 41 0.981 13.099 -4.731 1.00 0.00 N ATOM 654 CA LYS A 41 1.567 14.357 -5.139 1.00 0.00 C ATOM 655 C LYS A 41 3.084 14.277 -4.936 1.00 0.00 C ATOM 656 O LYS A 41 3.845 14.546 -5.868 1.00 0.00 O ATOM 657 CB LYS A 41 0.914 15.484 -4.325 1.00 0.00 C ATOM 658 CG LYS A 41 -0.615 15.521 -4.524 1.00 0.00 C ATOM 659 CD LYS A 41 -1.062 15.876 -5.949 1.00 0.00 C ATOM 660 CE LYS A 41 -0.434 17.164 -6.497 1.00 0.00 C ATOM 661 NZ LYS A 41 -0.791 18.368 -5.718 1.00 0.00 N ATOM 0 H LYS A 41 0.326 13.197 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 41 1.389 14.567 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.140 15.347 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.343 16.442 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.027 14.547 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.042 16.247 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.811 15.050 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.147 15.978 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.650 17.055 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.750 17.302 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.335 19.202 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.823 18.495 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.466 18.255 -4.736 1.00 0.00 H new ATOM 675 N GLY A 42 3.511 13.853 -3.743 1.00 0.00 N ATOM 676 CA GLY A 42 4.906 13.632 -3.384 1.00 0.00 C ATOM 677 C GLY A 42 4.985 12.704 -2.172 1.00 0.00 C ATOM 678 O GLY A 42 3.970 12.484 -1.503 1.00 0.00 O ATOM 0 H GLY A 42 2.869 13.648 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.443 13.194 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.389 14.583 -3.158 1.00 0.00 H new ATOM 682 N GLY A 43 6.170 12.152 -1.898 1.00 0.00 N ATOM 683 CA GLY A 43 6.403 11.173 -0.843 1.00 0.00 C ATOM 684 C GLY A 43 7.896 10.839 -0.727 1.00 0.00 C ATOM 685 O GLY A 43 8.508 11.140 0.296 1.00 0.00 O ATOM 0 H GLY A 43 7.015 12.383 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.038 11.563 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.838 10.265 -1.053 1.00 0.00 H new ATOM 689 N SER A 44 8.535 10.277 -1.761 1.00 0.00 N ATOM 690 CA SER A 44 8.026 10.045 -3.111 1.00 0.00 C ATOM 691 C SER A 44 8.640 8.774 -3.691 1.00 0.00 C ATOM 692 O SER A 44 7.918 7.905 -4.184 1.00 0.00 O ATOM 693 CB SER A 44 8.350 11.250 -4.011 1.00 0.00 C ATOM 694 OG SER A 44 8.661 12.372 -3.207 1.00 0.00 O ATOM 0 H SER A 44 9.496 9.949 -1.664 1.00 0.00 H new ATOM 0 HA SER A 44 6.944 9.922 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.190 11.014 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.500 11.475 -4.655 1.00 0.00 H new ATOM 0 HG SER A 44 8.251 13.174 -3.592 1.00 0.00 H new ATOM 700 N THR A 45 9.971 8.660 -3.664 1.00 0.00 N ATOM 701 CA THR A 45 10.636 7.475 -4.171 1.00 0.00 C ATOM 702 C THR A 45 10.244 6.257 -3.328 1.00 0.00 C ATOM 703 O THR A 45 9.878 6.377 -2.158 1.00 0.00 O ATOM 704 CB THR A 45 12.157 7.700 -4.264 1.00 0.00 C ATOM 705 OG1 THR A 45 12.504 8.982 -3.781 1.00 0.00 O ATOM 706 CG2 THR A 45 12.602 7.651 -5.726 1.00 0.00 C ATOM 0 H THR A 45 10.599 9.375 -3.297 1.00 0.00 H new ATOM 0 HA THR A 45 10.305 7.271 -5.189 1.00 0.00 H new ATOM 0 HB THR A 45 12.638 6.921 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.325 8.920 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.679 7.811 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.356 6.677 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.089 8.430 -6.289 1.00 0.00 H new ATOM 714 N LEU A 46 10.263 5.086 -3.964 1.00 0.00 N ATOM 715 CA LEU A 46 9.598 3.882 -3.487 1.00 0.00 C ATOM 716 C LEU A 46 9.962 3.573 -2.036 1.00 0.00 C ATOM 717 O LEU A 46 9.098 3.259 -1.225 1.00 0.00 O ATOM 718 CB LEU A 46 9.972 2.724 -4.423 1.00 0.00 C ATOM 719 CG LEU A 46 9.231 1.409 -4.140 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.712 1.558 -4.293 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.752 0.352 -5.120 1.00 0.00 C ATOM 0 H LEU A 46 10.755 4.949 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 46 8.518 4.031 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.771 3.025 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.045 2.545 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 46 9.419 1.114 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.230 0.603 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.348 2.310 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.477 1.867 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.241 -0.594 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.562 0.679 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.824 0.219 -4.975 1.00 0.00 H new ATOM 733 N ASP A 47 11.249 3.680 -1.724 1.00 0.00 N ATOM 734 CA ASP A 47 11.845 3.362 -0.448 1.00 0.00 C ATOM 735 C ASP A 47 11.427 4.396 0.589 1.00 0.00 C ATOM 736 O ASP A 47 11.050 4.026 1.697 1.00 0.00 O ATOM 737 CB ASP A 47 13.370 3.343 -0.605 1.00 0.00 C ATOM 738 CG ASP A 47 13.819 2.388 -1.696 1.00 0.00 C ATOM 739 OD1 ASP A 47 14.000 1.196 -1.360 1.00 0.00 O ATOM 740 OD2 ASP A 47 13.959 2.857 -2.858 1.00 0.00 O ATOM 0 H ASP A 47 11.937 4.011 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 47 11.506 2.383 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.723 4.348 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.828 3.054 0.341 1.00 0.00 H new ATOM 745 N GLU A 48 11.509 5.676 0.220 1.00 0.00 N ATOM 746 CA GLU A 48 11.134 6.817 1.045 1.00 0.00 C ATOM 747 C GLU A 48 9.643 6.748 1.408 1.00 0.00 C ATOM 748 O GLU A 48 9.242 7.196 2.484 1.00 0.00 O ATOM 749 CB GLU A 48 11.514 8.115 0.310 1.00 0.00 C ATOM 750 CG GLU A 48 13.043 8.233 0.158 1.00 0.00 C ATOM 751 CD GLU A 48 13.481 9.299 -0.838 1.00 0.00 C ATOM 752 OE1 GLU A 48 13.031 10.464 -0.707 1.00 0.00 O ATOM 753 OE2 GLU A 48 14.249 8.940 -1.774 1.00 0.00 O ATOM 0 H GLU A 48 11.853 5.953 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 48 11.679 6.799 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.044 8.132 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.132 8.975 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.479 8.457 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.443 7.269 -0.156 1.00 0.00 H new ATOM 760 N LEU A 49 8.823 6.176 0.520 1.00 0.00 N ATOM 761 CA LEU A 49 7.422 5.903 0.812 1.00 0.00 C ATOM 762 C LEU A 49 7.250 4.628 1.642 1.00 0.00 C ATOM 763 O LEU A 49 6.781 4.701 2.774 1.00 0.00 O ATOM 764 CB LEU A 49 6.604 5.891 -0.482 1.00 0.00 C ATOM 765 CG LEU A 49 5.130 5.541 -0.229 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.455 6.481 0.781 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.365 5.625 -1.549 1.00 0.00 C ATOM 0 H LEU A 49 9.115 5.893 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 49 7.033 6.709 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.667 6.869 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.034 5.169 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 49 5.108 4.534 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.416 6.183 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.977 6.424 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.493 7.504 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.317 5.378 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.439 6.636 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.792 4.921 -2.263 1.00 0.00 H new ATOM 779 N PHE A 50 7.608 3.456 1.104 1.00 0.00 N ATOM 780 CA PHE A 50 7.617 2.185 1.811 1.00 0.00 C ATOM 781 C PHE A 50 8.097 2.331 3.252 1.00 0.00 C ATOM 782 O PHE A 50 7.487 1.750 4.136 1.00 0.00 O ATOM 783 CB PHE A 50 8.520 1.219 1.042 1.00 0.00 C ATOM 784 CG PHE A 50 8.388 -0.230 1.447 1.00 0.00 C ATOM 785 CD1 PHE A 50 7.453 -1.041 0.780 1.00 0.00 C ATOM 786 CD2 PHE A 50 9.291 -0.800 2.365 1.00 0.00 C ATOM 787 CE1 PHE A 50 7.454 -2.431 1.004 1.00 0.00 C ATOM 788 CE2 PHE A 50 9.366 -2.202 2.487 1.00 0.00 C ATOM 789 CZ PHE A 50 8.483 -3.012 1.764 1.00 0.00 C ATOM 0 H PHE A 50 7.908 3.371 0.133 1.00 0.00 H new ATOM 0 HA PHE A 50 6.598 1.802 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.299 1.306 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.557 1.527 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.739 -0.601 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.922 -0.167 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.668 -3.047 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.103 -2.650 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.593 -4.086 1.790 1.00 0.00 H new ATOM 799 N GLU A 51 9.162 3.094 3.524 1.00 0.00 N ATOM 800 CA GLU A 51 9.658 3.158 4.905 1.00 0.00 C ATOM 801 C GLU A 51 8.844 4.051 5.857 1.00 0.00 C ATOM 802 O GLU A 51 9.106 4.068 7.067 1.00 0.00 O ATOM 803 CB GLU A 51 11.136 3.550 4.944 1.00 0.00 C ATOM 804 CG GLU A 51 11.869 2.700 5.983 1.00 0.00 C ATOM 805 CD GLU A 51 13.164 3.368 6.353 1.00 0.00 C ATOM 806 OE1 GLU A 51 14.028 3.505 5.467 1.00 0.00 O ATOM 807 OE2 GLU A 51 13.308 3.774 7.528 1.00 0.00 O ATOM 0 H GLU A 51 9.677 3.652 2.843 1.00 0.00 H new ATOM 0 HA GLU A 51 9.531 2.144 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.586 3.408 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.235 4.607 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.247 2.573 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.062 1.704 5.583 1.00 0.00 H new ATOM 814 N GLU A 52 7.869 4.806 5.342 1.00 0.00 N ATOM 815 CA GLU A 52 6.753 5.242 6.166 1.00 0.00 C ATOM 816 C GLU A 52 6.000 3.986 6.599 1.00 0.00 C ATOM 817 O GLU A 52 5.831 3.719 7.790 1.00 0.00 O ATOM 818 CB GLU A 52 5.813 6.154 5.361 1.00 0.00 C ATOM 819 CG GLU A 52 4.639 6.643 6.215 1.00 0.00 C ATOM 820 CD GLU A 52 5.046 7.634 7.297 1.00 0.00 C ATOM 821 OE1 GLU A 52 5.875 8.525 6.999 1.00 0.00 O ATOM 822 OE2 GLU A 52 4.503 7.547 8.416 1.00 0.00 O ATOM 0 H GLU A 52 7.835 5.121 4.372 1.00 0.00 H new ATOM 0 HA GLU A 52 7.113 5.806 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.371 7.011 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.433 5.613 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.898 7.110 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.158 5.784 6.683 1.00 0.00 H new ATOM 829 N LEU A 53 5.550 3.262 5.575 1.00 0.00 N ATOM 830 CA LEU A 53 4.621 2.156 5.608 1.00 0.00 C ATOM 831 C LEU A 53 5.084 0.976 6.455 1.00 0.00 C ATOM 832 O LEU A 53 4.494 0.682 7.499 1.00 0.00 O ATOM 833 CB LEU A 53 4.335 1.730 4.153 1.00 0.00 C ATOM 834 CG LEU A 53 3.032 2.305 3.595 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.032 2.116 2.075 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.863 1.532 4.216 1.00 0.00 C ATOM 0 H LEU A 53 5.859 3.459 4.623 1.00 0.00 H new ATOM 0 HA LEU A 53 3.710 2.497 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.164 2.047 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.294 0.642 4.102 1.00 0.00 H new ATOM 0 HG LEU A 53 2.938 3.365 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.110 2.520 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.885 2.639 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.101 1.054 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.922 1.925 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.947 0.476 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.888 1.644 5.300 1.00 0.00 H new ATOM 848 N ASP A 54 6.109 0.266 5.981 1.00 0.00 N ATOM 849 CA ASP A 54 6.541 -0.964 6.578 1.00 0.00 C ATOM 850 C ASP A 54 7.228 -0.573 7.859 1.00 0.00 C ATOM 851 O ASP A 54 8.094 0.303 7.864 1.00 0.00 O ATOM 852 CB ASP A 54 7.516 -1.742 5.696 1.00 0.00 C ATOM 853 CG ASP A 54 7.675 -3.133 6.283 1.00 0.00 C ATOM 854 OD1 ASP A 54 8.077 -3.329 7.449 1.00 0.00 O ATOM 855 OD2 ASP A 54 7.306 -4.124 5.631 1.00 0.00 O ATOM 0 H ASP A 54 6.656 0.544 5.166 1.00 0.00 H new ATOM 0 HA ASP A 54 5.685 -1.621 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.141 -1.801 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.480 -1.234 5.654 1.00 0.00 H new ATOM 860 N LYS A 55 6.816 -1.212 8.941 1.00 0.00 N ATOM 861 CA LYS A 55 7.452 -0.983 10.221 1.00 0.00 C ATOM 862 C LYS A 55 8.988 -1.044 10.134 1.00 0.00 C ATOM 863 O LYS A 55 9.648 -0.278 10.840 1.00 0.00 O ATOM 864 CB LYS A 55 6.863 -1.885 11.316 1.00 0.00 C ATOM 865 CG LYS A 55 6.249 -1.058 12.456 1.00 0.00 C ATOM 866 CD LYS A 55 7.182 -0.018 13.097 1.00 0.00 C ATOM 867 CE LYS A 55 8.437 -0.637 13.722 1.00 0.00 C ATOM 868 NZ LYS A 55 9.416 0.391 14.127 1.00 0.00 N ATOM 0 H LYS A 55 6.051 -1.887 8.957 1.00 0.00 H new ATOM 0 HA LYS A 55 7.224 0.041 10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.101 -2.533 10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.644 -2.533 11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.368 -0.543 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.907 -1.741 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.481 0.708 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.634 0.529 13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.154 -1.231 14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.900 -1.318 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.250 -0.069 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.706 0.942 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.983 1.026 14.828 1.00 0.00 H new ATOM 882 N ASN A 56 9.567 -1.885 9.262 1.00 0.00 N ATOM 883 CA ASN A 56 10.992 -1.771 8.937 1.00 0.00 C ATOM 884 C ASN A 56 11.402 -2.287 7.549 1.00 0.00 C ATOM 885 O ASN A 56 12.422 -1.825 7.045 1.00 0.00 O ATOM 886 CB ASN A 56 11.903 -2.336 10.038 1.00 0.00 C ATOM 887 CG ASN A 56 12.010 -3.834 9.986 1.00 0.00 C ATOM 888 OD1 ASN A 56 11.008 -4.539 9.935 1.00 0.00 O ATOM 889 ND2 ASN A 56 13.235 -4.329 9.978 1.00 0.00 N ATOM 0 H ASN A 56 9.078 -2.638 8.778 1.00 0.00 H new ATOM 0 HA ASN A 56 11.147 -0.693 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.898 -1.901 9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.518 -2.036 11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.377 -5.338 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.039 -3.702 10.022 1.00 0.00 H new ATOM 896 N GLY A 57 10.675 -3.200 6.894 1.00 0.00 N ATOM 897 CA GLY A 57 10.946 -3.520 5.501 1.00 0.00 C ATOM 898 C GLY A 57 12.028 -4.582 5.413 1.00 0.00 C ATOM 899 O GLY A 57 13.206 -4.264 5.212 1.00 0.00 O ATOM 0 H GLY A 57 9.903 -3.722 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.036 -3.875 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.261 -2.623 4.968 1.00 0.00 H new ATOM 903 N ASP A 58 11.613 -5.842 5.558 1.00 0.00 N ATOM 904 CA ASP A 58 12.519 -6.990 5.716 1.00 0.00 C ATOM 905 C ASP A 58 11.742 -8.292 5.512 1.00 0.00 C ATOM 906 O ASP A 58 12.084 -9.369 6.020 1.00 0.00 O ATOM 907 CB ASP A 58 13.232 -6.944 7.087 1.00 0.00 C ATOM 908 CG ASP A 58 12.354 -7.153 8.319 1.00 0.00 C ATOM 909 OD1 ASP A 58 11.193 -7.604 8.191 1.00 0.00 O ATOM 910 OD2 ASP A 58 12.879 -6.940 9.437 1.00 0.00 O ATOM 0 H ASP A 58 10.626 -6.101 5.570 1.00 0.00 H new ATOM 0 HA ASP A 58 13.299 -6.942 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.013 -7.705 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.728 -5.978 7.181 1.00 0.00 H new ATOM 915 N GLY A 59 10.605 -8.161 4.839 1.00 0.00 N ATOM 916 CA GLY A 59 9.417 -8.715 5.433 1.00 0.00 C ATOM 917 C GLY A 59 8.455 -7.565 5.305 1.00 0.00 C ATOM 918 O GLY A 59 8.497 -6.598 6.058 1.00 0.00 O ATOM 0 H GLY A 59 10.490 -7.703 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.069 -9.602 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.574 -9.005 6.472 1.00 0.00 H new ATOM 922 N GLU A 60 7.754 -7.593 4.198 1.00 0.00 N ATOM 923 CA GLU A 60 7.216 -6.434 3.534 1.00 0.00 C ATOM 924 C GLU A 60 5.880 -6.027 4.178 1.00 0.00 C ATOM 925 O GLU A 60 5.649 -6.313 5.363 1.00 0.00 O ATOM 926 CB GLU A 60 7.168 -6.762 2.038 1.00 0.00 C ATOM 927 CG GLU A 60 8.459 -7.399 1.457 1.00 0.00 C ATOM 928 CD GLU A 60 9.612 -6.415 1.333 1.00 0.00 C ATOM 929 OE1 GLU A 60 10.335 -6.219 2.326 1.00 0.00 O ATOM 930 OE2 GLU A 60 9.756 -5.856 0.207 1.00 0.00 O ATOM 0 H GLU A 60 7.534 -8.464 3.715 1.00 0.00 H new ATOM 0 HA GLU A 60 7.836 -5.545 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.335 -7.441 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.956 -5.845 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.765 -8.228 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.239 -7.816 0.474 1.00 0.00 H new ATOM 937 N VAL A 61 5.023 -5.325 3.432 1.00 0.00 N ATOM 938 CA VAL A 61 3.852 -4.675 4.002 1.00 0.00 C ATOM 939 C VAL A 61 2.723 -5.698 3.979 1.00 0.00 C ATOM 940 O VAL A 61 2.736 -6.584 3.134 1.00 0.00 O ATOM 941 CB VAL A 61 3.513 -3.393 3.209 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.214 -2.718 3.671 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.645 -2.366 3.348 1.00 0.00 C ATOM 0 H VAL A 61 5.124 -5.195 2.425 1.00 0.00 H new ATOM 0 HA VAL A 61 4.026 -4.353 5.029 1.00 0.00 H new ATOM 0 HB VAL A 61 3.386 -3.712 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.036 -1.824 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.381 -3.410 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.302 -2.440 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.393 -1.468 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.777 -2.110 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.571 -2.790 2.959 1.00 0.00 H new ATOM 953 N SER A 62 1.729 -5.567 4.852 1.00 0.00 N ATOM 954 CA SER A 62 0.453 -6.247 4.737 1.00 0.00 C ATOM 955 C SER A 62 -0.613 -5.212 5.107 1.00 0.00 C ATOM 956 O SER A 62 -0.248 -4.106 5.526 1.00 0.00 O ATOM 957 CB SER A 62 0.398 -7.532 5.573 1.00 0.00 C ATOM 958 OG SER A 62 0.718 -7.294 6.930 1.00 0.00 O ATOM 0 H SER A 62 1.795 -4.970 5.677 1.00 0.00 H new ATOM 0 HA SER A 62 0.280 -6.607 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.600 -7.966 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.092 -8.264 5.160 1.00 0.00 H new ATOM 0 HG SER A 62 0.670 -8.136 7.430 1.00 0.00 H new ATOM 964 N PHE A 63 -1.904 -5.533 4.957 1.00 0.00 N ATOM 965 CA PHE A 63 -2.984 -4.606 5.284 1.00 0.00 C ATOM 966 C PHE A 63 -2.759 -3.960 6.656 1.00 0.00 C ATOM 967 O PHE A 63 -2.949 -2.752 6.809 1.00 0.00 O ATOM 968 CB PHE A 63 -4.353 -5.276 5.180 1.00 0.00 C ATOM 969 CG PHE A 63 -5.500 -4.362 5.565 1.00 0.00 C ATOM 970 CD1 PHE A 63 -6.017 -3.467 4.614 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.928 -4.273 6.906 1.00 0.00 C ATOM 972 CE1 PHE A 63 -7.129 -2.666 4.937 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.935 -3.360 7.260 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.616 -2.646 6.253 1.00 0.00 C ATOM 0 H PHE A 63 -2.223 -6.437 4.608 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.972 -3.806 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.503 -5.624 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.368 -6.157 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.563 -3.393 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.482 -4.906 7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.606 -2.069 4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.186 -3.206 8.299 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.508 -2.086 6.493 1.00 0.00 H new ATOM 984 N GLU A 64 -2.306 -4.770 7.618 1.00 0.00 N ATOM 985 CA GLU A 64 -1.798 -4.342 8.915 1.00 0.00 C ATOM 986 C GLU A 64 -1.063 -2.994 8.844 1.00 0.00 C ATOM 987 O GLU A 64 -1.490 -2.012 9.448 1.00 0.00 O ATOM 988 CB GLU A 64 -0.857 -5.436 9.442 1.00 0.00 C ATOM 989 CG GLU A 64 -0.524 -5.246 10.928 1.00 0.00 C ATOM 990 CD GLU A 64 0.608 -6.162 11.337 1.00 0.00 C ATOM 991 OE1 GLU A 64 0.495 -7.379 11.069 1.00 0.00 O ATOM 992 OE2 GLU A 64 1.611 -5.659 11.893 1.00 0.00 O ATOM 0 H GLU A 64 -2.285 -5.783 7.504 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.642 -4.196 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.320 -6.412 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.065 -5.431 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.246 -4.209 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.406 -5.454 11.534 1.00 0.00 H new ATOM 999 N GLU A 65 0.058 -2.954 8.117 1.00 0.00 N ATOM 1000 CA GLU A 65 0.935 -1.787 8.077 1.00 0.00 C ATOM 1001 C GLU A 65 0.390 -0.791 7.050 1.00 0.00 C ATOM 1002 O GLU A 65 0.566 0.415 7.206 1.00 0.00 O ATOM 1003 CB GLU A 65 2.436 -2.136 7.899 1.00 0.00 C ATOM 1004 CG GLU A 65 2.785 -3.631 7.763 1.00 0.00 C ATOM 1005 CD GLU A 65 4.108 -4.040 8.392 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.133 -4.158 9.639 1.00 0.00 O ATOM 1007 OE2 GLU A 65 5.083 -4.351 7.672 1.00 0.00 O ATOM 0 H GLU A 65 0.380 -3.732 7.541 1.00 0.00 H new ATOM 0 HA GLU A 65 0.921 -1.305 9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.803 -1.618 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.983 -1.735 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.987 -4.218 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.808 -3.889 6.704 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.348 -1.279 6.046 1.00 0.00 N ATOM 1015 CA PHE A 66 -1.091 -0.417 5.123 1.00 0.00 C ATOM 1016 C PHE A 66 -1.960 0.610 5.863 1.00 0.00 C ATOM 1017 O PHE A 66 -2.143 1.727 5.374 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.919 -1.253 4.140 1.00 0.00 C ATOM 1019 CG PHE A 66 -2.571 -0.477 3.009 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -3.799 0.176 3.227 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -1.999 -0.465 1.724 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -4.393 0.922 2.195 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -2.678 0.148 0.659 1.00 0.00 C ATOM 1024 CZ PHE A 66 -3.860 0.865 0.898 1.00 0.00 C ATOM 0 H PHE A 66 -0.446 -2.276 5.852 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.359 0.151 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.274 -2.018 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.699 -1.772 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.285 0.103 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.037 -0.927 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.257 1.537 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.290 0.068 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.359 1.372 0.085 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.472 0.284 7.058 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.250 1.250 7.834 1.00 0.00 C ATOM 1036 C GLN A 67 -2.470 2.547 8.108 1.00 0.00 C ATOM 1037 O GLN A 67 -3.060 3.614 8.272 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.866 0.630 9.103 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.586 -0.699 8.879 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.571 -0.583 7.729 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.714 -0.168 7.914 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.126 -0.953 6.536 1.00 0.00 N ATOM 0 H GLN A 67 -2.362 -0.628 7.500 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.096 1.540 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.075 0.480 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.571 1.342 9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.858 -1.482 8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.112 -0.992 9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.169 -1.291 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.740 -0.900 5.723 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.139 2.496 8.087 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.313 3.687 8.186 1.00 0.00 C ATOM 1053 C VAL A 68 -0.451 4.550 6.925 1.00 0.00 C ATOM 1054 O VAL A 68 -0.467 5.776 7.007 1.00 0.00 O ATOM 1055 CB VAL A 68 1.136 3.284 8.495 1.00 0.00 C ATOM 1056 CG1 VAL A 68 2.014 4.529 8.664 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.147 2.456 9.792 1.00 0.00 C ATOM 0 H VAL A 68 -0.609 1.629 8.001 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.655 4.310 9.012 1.00 0.00 H new ATOM 0 HB VAL A 68 1.535 2.695 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.038 4.225 8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.997 5.114 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.632 5.135 9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.170 2.161 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.745 3.055 10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.534 1.565 9.660 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.616 3.955 5.743 1.00 0.00 N ATOM 1068 CA LEU A 69 -0.967 4.767 4.589 1.00 0.00 C ATOM 1069 C LEU A 69 -2.411 5.264 4.723 1.00 0.00 C ATOM 1070 O LEU A 69 -2.674 6.414 4.386 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.710 4.025 3.278 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.930 4.964 2.079 1.00 0.00 C ATOM 1073 CD1 LEU A 69 0.332 5.049 1.227 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -2.149 4.525 1.265 1.00 0.00 C ATOM 0 H LEU A 69 -0.516 2.955 5.567 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.319 5.643 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.310 3.640 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.376 3.166 3.202 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.137 5.968 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.157 5.717 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.154 5.434 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.588 4.057 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.287 5.202 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.994 3.512 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.036 4.548 1.898 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.336 4.457 5.261 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.680 4.955 5.589 1.00 0.00 C ATOM 1088 C VAL A 70 -4.594 6.197 6.496 1.00 0.00 C ATOM 1089 O VAL A 70 -5.383 7.130 6.361 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.595 3.859 6.169 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.013 4.390 6.424 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.705 2.676 5.199 1.00 0.00 C ATOM 0 H VAL A 70 -3.183 3.472 5.476 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.153 5.261 4.656 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.147 3.540 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.632 3.592 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.970 5.216 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.445 4.740 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.355 1.913 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.123 3.019 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.715 2.254 5.027 1.00 0.00 H new ATOM 1102 N LYS A 71 -3.615 6.247 7.401 1.00 0.00 N ATOM 1103 CA LYS A 71 -3.277 7.464 8.120 1.00 0.00 C ATOM 1104 C LYS A 71 -2.715 8.540 7.167 1.00 0.00 C ATOM 1105 O LYS A 71 -3.166 9.688 7.209 1.00 0.00 O ATOM 1106 CB LYS A 71 -2.366 7.073 9.297 1.00 0.00 C ATOM 1107 CG LYS A 71 -1.943 8.195 10.249 1.00 0.00 C ATOM 1108 CD LYS A 71 -1.717 7.614 11.656 1.00 0.00 C ATOM 1109 CE LYS A 71 -0.662 6.487 11.721 1.00 0.00 C ATOM 1110 NZ LYS A 71 -0.553 5.867 13.064 1.00 0.00 N ATOM 0 H LYS A 71 -3.039 5.444 7.652 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.159 7.945 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.876 6.307 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.464 6.615 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.030 8.668 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.711 8.968 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.411 8.420 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.665 7.230 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.916 5.718 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.309 6.890 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.170 5.119 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.283 6.591 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.470 5.455 13.332 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.751 8.217 6.294 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.009 9.218 5.525 1.00 0.00 C ATOM 1126 C LYS A 72 -1.730 9.808 4.316 1.00 0.00 C ATOM 1127 O LYS A 72 -1.404 10.913 3.886 1.00 0.00 O ATOM 1128 CB LYS A 72 0.441 8.786 5.343 1.00 0.00 C ATOM 1129 CG LYS A 72 1.367 9.776 4.612 1.00 0.00 C ATOM 1130 CD LYS A 72 2.752 9.819 5.278 1.00 0.00 C ATOM 1131 CE LYS A 72 3.884 9.904 4.232 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.238 9.945 4.831 1.00 0.00 N ATOM 0 H LYS A 72 -1.466 7.256 6.103 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.966 10.125 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.864 8.587 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.450 7.843 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.469 9.482 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.923 10.771 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.808 10.678 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.889 8.929 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.816 9.045 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.738 10.795 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.866 9.296 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.615 10.912 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.185 9.656 5.829 1.00 0.00 H new ATOM 1146 N ILE A 73 -2.788 9.156 3.848 1.00 0.00 N ATOM 1147 CA ILE A 73 -3.704 9.792 2.897 1.00 0.00 C ATOM 1148 C ILE A 73 -4.358 11.050 3.501 1.00 0.00 C ATOM 1149 O ILE A 73 -4.838 11.919 2.771 1.00 0.00 O ATOM 1150 CB ILE A 73 -4.797 8.826 2.427 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -5.522 8.198 3.618 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -4.233 7.734 1.504 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -6.967 7.826 3.300 1.00 0.00 C ATOM 0 H ILE A 73 -3.034 8.200 4.105 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.103 10.083 2.036 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.516 9.409 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.983 7.305 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.507 8.895 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.039 7.069 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.784 8.197 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.476 7.161 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.432 7.385 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.517 8.721 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.986 7.106 2.482 1.00 0.00 H new ATOM 1165 N SER A 74 -4.408 11.144 4.831 1.00 0.00 N ATOM 1166 CA SER A 74 -4.704 12.376 5.550 1.00 0.00 C ATOM 1167 C SER A 74 -3.390 13.070 5.909 1.00 0.00 C ATOM 1168 O SER A 74 -3.217 14.258 5.641 1.00 0.00 O ATOM 1169 CB SER A 74 -5.565 12.063 6.778 1.00 0.00 C ATOM 1170 OG SER A 74 -6.725 11.365 6.359 1.00 0.00 O ATOM 0 H SER A 74 -4.240 10.348 5.447 1.00 0.00 H new ATOM 0 HA SER A 74 -5.279 13.061 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.000 11.462 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.844 12.985 7.288 1.00 0.00 H new ATOM 0 HG SER A 74 -7.282 11.159 7.138 1.00 0.00 H new ATOM 1176 N GLN A 75 -2.445 12.320 6.486 1.00 0.00 N ATOM 1177 CA GLN A 75 -1.109 12.820 6.810 1.00 0.00 C ATOM 1178 C GLN A 75 -0.333 13.128 5.521 1.00 0.00 C ATOM 1179 O GLN A 75 0.901 13.185 5.501 1.00 0.00 O ATOM 1180 CB GLN A 75 -0.376 11.833 7.753 1.00 0.00 C ATOM 1181 CG GLN A 75 0.073 12.510 9.050 1.00 0.00 C ATOM 1182 CD GLN A 75 -1.096 13.022 9.911 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -0.920 13.905 10.751 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -2.306 12.499 9.717 1.00 0.00 N ATOM 0 H GLN A 75 -2.589 11.343 6.742 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.188 13.760 7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.036 10.998 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.492 11.418 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.662 11.803 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.728 13.346 8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.440 11.768 9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.099 12.830 10.267 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 3.071 -10.290 -2.779 1.00 0.00 CA HETATM 1195 CA CA A 77 7.069 -5.456 7.509 1.00 0.00 CA