USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0746 (180deg=-0.51) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.762! (180deg=0.442!) USER MOD Single : A 2 THR OG1 : rot 81:sc= 0.636 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 9 SER OG : rot 117:sc= 1.13 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.09) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 25 SER OG : rot 180:sc= -0.264 USER MOD Single : A 35 HIS : no HE2:sc= -3.57 K(o=-3.6,f=-6.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.63 K(o=1.6,f=-6.1!) USER MOD Single : A 43 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.86) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.507 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.127) USER MOD Single : A 53 GLN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 55 ASN : amide:sc= -0.496 K(o=-0.5,f=-5.8!) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0.866 (180deg=0.814) USER MOD Single : A 75 SER OG : rot 180:sc= 0.157 USER MOD Single : A 83 HIS : no HE2:sc= -0.933 K(o=-0.93,f=-3.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -130:sc= -0.33 USER MOD Single : A 108 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.11) USER MOD Single : A 112 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.281 -3.324 13.597 1.00 0.00 N ATOM 2 CA MET A 1 8.597 -2.808 13.129 1.00 0.00 C ATOM 3 C MET A 1 8.666 -2.735 11.598 1.00 0.00 C ATOM 4 O MET A 1 8.977 -1.688 11.030 1.00 0.00 O ATOM 5 CB MET A 1 9.739 -3.688 13.660 1.00 0.00 C ATOM 6 CG MET A 1 9.990 -3.546 15.156 1.00 0.00 C ATOM 7 SD MET A 1 11.234 -4.706 15.764 1.00 0.00 S ATOM 8 CE MET A 1 12.658 -4.235 14.784 1.00 0.00 C ATOM 0 H1 MET A 1 7.356 -3.615 14.593 1.00 0.00 H new ATOM 0 H2 MET A 1 6.563 -2.576 13.508 1.00 0.00 H new ATOM 0 H3 MET A 1 7.003 -4.142 13.018 1.00 0.00 H new ATOM 0 HA MET A 1 8.708 -1.797 13.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.513 -4.731 13.438 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.655 -3.439 13.124 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.312 -2.527 15.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.056 -3.706 15.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.563 -4.637 15.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.553 -4.633 13.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.726 -3.148 14.740 1.00 0.00 H new ATOM 20 N THR A 2 8.390 -3.851 10.929 1.00 0.00 N ATOM 21 CA THR A 2 8.443 -3.896 9.464 1.00 0.00 C ATOM 22 C THR A 2 7.223 -3.208 8.846 1.00 0.00 C ATOM 23 O THR A 2 6.196 -3.841 8.591 1.00 0.00 O ATOM 24 CB THR A 2 8.537 -5.349 8.932 1.00 0.00 C ATOM 25 OG1 THR A 2 9.675 -6.012 9.505 1.00 0.00 O ATOM 26 CG2 THR A 2 8.642 -5.381 7.409 1.00 0.00 C ATOM 0 H THR A 2 8.129 -4.732 11.371 1.00 0.00 H new ATOM 0 HA THR A 2 9.346 -3.361 9.169 1.00 0.00 H new ATOM 0 HB THR A 2 7.624 -5.868 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.450 -6.328 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.706 -6.415 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.760 -4.911 6.974 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.535 -4.840 7.094 1.00 0.00 H new ATOM 34 N LEU A 3 7.334 -1.897 8.649 1.00 0.00 N ATOM 35 CA LEU A 3 6.292 -1.120 7.977 1.00 0.00 C ATOM 36 C LEU A 3 6.339 -1.339 6.459 1.00 0.00 C ATOM 37 O LEU A 3 7.294 -0.941 5.790 1.00 0.00 O ATOM 38 CB LEU A 3 6.446 0.375 8.297 1.00 0.00 C ATOM 39 CG LEU A 3 6.116 0.776 9.743 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.459 2.244 9.992 1.00 0.00 C ATOM 41 CD2 LEU A 3 4.643 0.509 10.051 1.00 0.00 C ATOM 0 H LEU A 3 8.139 -1.346 8.947 1.00 0.00 H new ATOM 0 HA LEU A 3 5.325 -1.463 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.472 0.672 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.802 0.942 7.625 1.00 0.00 H new ATOM 0 HG LEU A 3 6.724 0.167 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.217 2.505 11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.523 2.404 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.882 2.873 9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.428 0.799 11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.018 1.089 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.431 -0.552 9.921 1.00 0.00 H new ATOM 53 N ILE A 4 5.317 -1.996 5.929 1.00 0.00 N ATOM 54 CA ILE A 4 5.198 -2.217 4.484 1.00 0.00 C ATOM 55 C ILE A 4 4.298 -1.155 3.835 1.00 0.00 C ATOM 56 O ILE A 4 3.228 -0.827 4.355 1.00 0.00 O ATOM 57 CB ILE A 4 4.658 -3.634 4.179 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.333 -3.880 4.926 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.701 -4.688 4.551 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.851 -5.314 4.876 1.00 0.00 C ATOM 0 H ILE A 4 4.552 -2.389 6.477 1.00 0.00 H new ATOM 0 HA ILE A 4 6.197 -2.130 4.056 1.00 0.00 H new ATOM 0 HB ILE A 4 4.460 -3.711 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.456 -3.586 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.564 -3.235 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.309 -5.681 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.610 -4.521 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.929 -4.615 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.914 -5.402 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.693 -5.609 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.599 -5.965 5.328 1.00 0.00 H new ATOM 72 N TYR A 5 4.744 -0.620 2.699 1.00 0.00 N ATOM 73 CA TYR A 5 4.075 0.518 2.053 1.00 0.00 C ATOM 74 C TYR A 5 3.502 0.166 0.672 1.00 0.00 C ATOM 75 O TYR A 5 3.963 -0.763 0.002 1.00 0.00 O ATOM 76 CB TYR A 5 5.057 1.692 1.908 1.00 0.00 C ATOM 77 CG TYR A 5 5.577 2.225 3.231 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.607 1.578 3.906 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.036 3.371 3.805 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.081 2.059 5.111 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.506 3.856 5.011 1.00 0.00 C ATOM 82 CZ TYR A 5 6.528 3.198 5.659 1.00 0.00 C ATOM 83 OH TYR A 5 6.996 3.676 6.863 1.00 0.00 O ATOM 0 H TYR A 5 5.569 -0.955 2.202 1.00 0.00 H new ATOM 0 HA TYR A 5 3.239 0.796 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.902 1.373 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.564 2.501 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.043 0.686 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.235 3.890 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.882 1.545 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.074 4.747 5.443 1.00 0.00 H new ATOM 0 HH TYR A 5 6.501 4.485 7.108 1.00 0.00 H new ATOM 93 N LYS A 6 2.494 0.936 0.261 1.00 0.00 N ATOM 94 CA LYS A 6 1.898 0.821 -1.078 1.00 0.00 C ATOM 95 C LYS A 6 1.249 2.148 -1.497 1.00 0.00 C ATOM 96 O LYS A 6 0.465 2.728 -0.746 1.00 0.00 O ATOM 97 CB LYS A 6 0.845 -0.293 -1.109 1.00 0.00 C ATOM 98 CG LYS A 6 0.179 -0.478 -2.473 1.00 0.00 C ATOM 99 CD LYS A 6 -0.913 -1.545 -2.429 1.00 0.00 C ATOM 100 CE LYS A 6 -1.606 -1.723 -3.779 1.00 0.00 C ATOM 101 NZ LYS A 6 -0.677 -2.203 -4.835 1.00 0.00 N ATOM 0 H LYS A 6 2.066 1.656 0.842 1.00 0.00 H new ATOM 0 HA LYS A 6 2.696 0.576 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.314 -1.232 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.077 -0.074 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.251 0.469 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.931 -0.758 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.477 -2.495 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.653 -1.273 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.427 -2.432 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.043 -0.773 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.194 -2.308 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.093 -1.515 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.279 -3.122 -4.556 1.00 0.00 H new ATOM 115 N ILE A 7 1.577 2.624 -2.693 1.00 0.00 N ATOM 116 CA ILE A 7 0.993 3.863 -3.214 1.00 0.00 C ATOM 117 C ILE A 7 -0.169 3.561 -4.175 1.00 0.00 C ATOM 118 O ILE A 7 0.016 2.889 -5.192 1.00 0.00 O ATOM 119 CB ILE A 7 2.056 4.726 -3.943 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.250 5.004 -3.013 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.438 6.037 -4.430 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.365 5.805 -3.658 1.00 0.00 C ATOM 0 H ILE A 7 2.242 2.175 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 7 0.614 4.424 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 7 2.416 4.173 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.894 5.540 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.655 4.054 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.198 6.630 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.623 5.821 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.052 6.596 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.168 5.958 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.751 5.262 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.979 6.772 -3.981 1.00 0.00 H new ATOM 134 N LEU A 8 -1.362 4.058 -3.851 1.00 0.00 N ATOM 135 CA LEU A 8 -2.556 3.818 -4.678 1.00 0.00 C ATOM 136 C LEU A 8 -3.367 5.107 -4.871 1.00 0.00 C ATOM 137 O LEU A 8 -3.265 6.039 -4.079 1.00 0.00 O ATOM 138 CB LEU A 8 -3.455 2.731 -4.057 1.00 0.00 C ATOM 139 CG LEU A 8 -4.301 3.159 -2.838 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.273 2.049 -2.442 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.414 3.544 -1.655 1.00 0.00 C ATOM 0 H LEU A 8 -1.533 4.629 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.207 3.473 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.130 2.362 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.824 1.894 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.877 4.039 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.860 2.369 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.940 1.835 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.713 1.150 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.039 3.840 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.800 2.691 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.770 4.376 -1.939 1.00 0.00 H new ATOM 153 N SER A 9 -4.184 5.142 -5.915 1.00 0.00 N ATOM 154 CA SER A 9 -5.000 6.322 -6.228 1.00 0.00 C ATOM 155 C SER A 9 -6.130 6.535 -5.200 1.00 0.00 C ATOM 156 O SER A 9 -6.637 5.584 -4.602 1.00 0.00 O ATOM 157 CB SER A 9 -5.567 6.184 -7.644 1.00 0.00 C ATOM 158 OG SER A 9 -6.149 4.906 -7.837 1.00 0.00 O ATOM 0 H SER A 9 -4.304 4.366 -6.566 1.00 0.00 H new ATOM 0 HA SER A 9 -4.361 7.204 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.315 6.958 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.773 6.340 -8.374 1.00 0.00 H new ATOM 0 HG SER A 9 -7.108 5.006 -8.012 1.00 0.00 H new ATOM 164 N ARG A 10 -6.525 7.798 -5.021 1.00 0.00 N ATOM 165 CA ARG A 10 -7.455 8.202 -3.950 1.00 0.00 C ATOM 166 C ARG A 10 -8.816 7.483 -4.027 1.00 0.00 C ATOM 167 O ARG A 10 -9.197 6.768 -3.103 1.00 0.00 O ATOM 168 CB ARG A 10 -7.668 9.722 -4.006 1.00 0.00 C ATOM 169 CG ARG A 10 -8.410 10.307 -2.805 1.00 0.00 C ATOM 170 CD ARG A 10 -7.621 10.144 -1.507 1.00 0.00 C ATOM 171 NE ARG A 10 -6.244 10.636 -1.629 1.00 0.00 N ATOM 172 CZ ARG A 10 -5.755 11.646 -0.957 1.00 0.00 C ATOM 173 NH1 ARG A 10 -6.504 12.330 -0.158 1.00 0.00 N ATOM 174 NH2 ARG A 10 -4.510 11.971 -1.097 1.00 0.00 N ATOM 0 H ARG A 10 -6.214 8.571 -5.609 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.999 7.912 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.696 10.209 -4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.223 9.964 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.605 11.365 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.378 9.817 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.128 10.682 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.605 9.092 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.625 10.157 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.488 12.085 -0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.112 13.116 0.361 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.912 11.440 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.127 12.758 -0.574 1.00 0.00 H new ATOM 188 N ALA A 11 -9.532 7.673 -5.134 1.00 0.00 N ATOM 189 CA ALA A 11 -10.884 7.117 -5.296 1.00 0.00 C ATOM 190 C ALA A 11 -10.918 5.593 -5.089 1.00 0.00 C ATOM 191 O ALA A 11 -11.901 5.046 -4.586 1.00 0.00 O ATOM 192 CB ALA A 11 -11.441 7.480 -6.670 1.00 0.00 C ATOM 0 H ALA A 11 -9.202 8.209 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.512 7.559 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.442 7.063 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.487 8.565 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.792 7.072 -7.445 1.00 0.00 H new ATOM 198 N GLU A 12 -9.843 4.915 -5.482 1.00 0.00 N ATOM 199 CA GLU A 12 -9.722 3.465 -5.283 1.00 0.00 C ATOM 200 C GLU A 12 -9.560 3.123 -3.794 1.00 0.00 C ATOM 201 O GLU A 12 -10.118 2.136 -3.306 1.00 0.00 O ATOM 202 CB GLU A 12 -8.538 2.918 -6.097 1.00 0.00 C ATOM 203 CG GLU A 12 -8.831 2.733 -7.589 1.00 0.00 C ATOM 204 CD GLU A 12 -9.525 3.930 -8.229 1.00 0.00 C ATOM 205 OE1 GLU A 12 -8.894 5.004 -8.354 1.00 0.00 O ATOM 206 OE2 GLU A 12 -10.698 3.800 -8.628 1.00 0.00 O ATOM 0 H GLU A 12 -9.039 5.343 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.639 2.992 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.692 3.596 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.235 1.959 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.894 2.544 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.455 1.849 -7.721 1.00 0.00 H new ATOM 213 N TRP A 13 -8.798 3.948 -3.074 1.00 0.00 N ATOM 214 CA TRP A 13 -8.655 3.797 -1.622 1.00 0.00 C ATOM 215 C TRP A 13 -9.998 4.038 -0.914 1.00 0.00 C ATOM 216 O TRP A 13 -10.402 3.263 -0.049 1.00 0.00 O ATOM 217 CB TRP A 13 -7.584 4.760 -1.081 1.00 0.00 C ATOM 218 CG TRP A 13 -7.484 4.776 0.420 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.607 5.865 1.235 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.257 3.652 1.285 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.463 5.491 2.548 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.249 4.138 2.605 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.056 2.286 1.070 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.051 3.308 3.705 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.862 1.462 2.162 1.00 0.00 C ATOM 226 CH2 TRP A 13 -6.860 1.975 3.465 1.00 0.00 C ATOM 0 H TRP A 13 -8.271 4.726 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.338 2.775 -1.417 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.616 4.482 -1.497 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.805 5.768 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.791 6.874 0.896 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.508 6.118 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.052 1.882 0.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.048 3.702 4.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.709 0.404 2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.704 1.305 4.297 1.00 0.00 H new ATOM 237 N ASP A 14 -10.690 5.111 -1.295 1.00 0.00 N ATOM 238 CA ASP A 14 -12.014 5.413 -0.745 1.00 0.00 C ATOM 239 C ASP A 14 -13.044 4.321 -1.077 1.00 0.00 C ATOM 240 O ASP A 14 -13.906 4.008 -0.256 1.00 0.00 O ATOM 241 CB ASP A 14 -12.502 6.771 -1.248 1.00 0.00 C ATOM 242 CG ASP A 14 -11.856 7.916 -0.496 1.00 0.00 C ATOM 243 OD1 ASP A 14 -12.389 8.302 0.569 1.00 0.00 O ATOM 244 OD2 ASP A 14 -10.820 8.431 -0.952 1.00 0.00 O ATOM 0 H ASP A 14 -10.357 5.787 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.913 5.446 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.282 6.865 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.585 6.831 -1.140 1.00 0.00 H new ATOM 249 N ALA A 15 -12.957 3.749 -2.279 1.00 0.00 N ATOM 250 CA ALA A 15 -13.825 2.627 -2.662 1.00 0.00 C ATOM 251 C ALA A 15 -13.591 1.419 -1.746 1.00 0.00 C ATOM 252 O ALA A 15 -14.525 0.893 -1.140 1.00 0.00 O ATOM 253 CB ALA A 15 -13.597 2.244 -4.121 1.00 0.00 C ATOM 0 H ALA A 15 -12.299 4.040 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.861 2.946 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.249 1.411 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.822 3.098 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.557 1.949 -4.261 1.00 0.00 H new ATOM 259 N ALA A 16 -12.331 0.999 -1.634 1.00 0.00 N ATOM 260 CA ALA A 16 -11.950 -0.099 -0.736 1.00 0.00 C ATOM 261 C ALA A 16 -12.313 0.221 0.723 1.00 0.00 C ATOM 262 O ALA A 16 -12.737 -0.652 1.480 1.00 0.00 O ATOM 263 CB ALA A 16 -10.458 -0.378 -0.858 1.00 0.00 C ATOM 0 H ALA A 16 -11.552 1.402 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.507 -0.988 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.184 -1.194 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.223 -0.657 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.897 0.517 -0.588 1.00 0.00 H new ATOM 269 N LYS A 17 -12.144 1.486 1.097 1.00 0.00 N ATOM 270 CA LYS A 17 -12.496 1.973 2.434 1.00 0.00 C ATOM 271 C LYS A 17 -14.019 1.940 2.651 1.00 0.00 C ATOM 272 O LYS A 17 -14.497 1.680 3.757 1.00 0.00 O ATOM 273 CB LYS A 17 -11.925 3.388 2.618 1.00 0.00 C ATOM 274 CG LYS A 17 -12.206 4.036 3.972 1.00 0.00 C ATOM 275 CD LYS A 17 -11.212 5.165 4.264 1.00 0.00 C ATOM 276 CE LYS A 17 -11.152 6.207 3.143 1.00 0.00 C ATOM 277 NZ LYS A 17 -12.389 7.028 3.064 1.00 0.00 N ATOM 0 H LYS A 17 -11.759 2.205 0.484 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.059 1.317 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.846 3.348 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.330 4.030 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.222 4.430 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.146 3.283 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.491 5.656 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.219 4.740 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.295 6.861 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.993 5.702 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.365 7.610 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.220 6.403 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.449 7.646 3.898 1.00 0.00 H new ATOM 291 N ALA A 18 -14.773 2.183 1.581 1.00 0.00 N ATOM 292 CA ALA A 18 -16.233 2.038 1.609 1.00 0.00 C ATOM 293 C ALA A 18 -16.629 0.560 1.762 1.00 0.00 C ATOM 294 O ALA A 18 -17.610 0.226 2.431 1.00 0.00 O ATOM 295 CB ALA A 18 -16.849 2.627 0.343 1.00 0.00 C ATOM 0 H ALA A 18 -14.399 2.482 0.680 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.617 2.585 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.932 2.512 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.598 3.686 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.457 2.105 -0.530 1.00 0.00 H new ATOM 301 N GLN A 19 -15.853 -0.317 1.128 1.00 0.00 N ATOM 302 CA GLN A 19 -16.041 -1.768 1.248 1.00 0.00 C ATOM 303 C GLN A 19 -15.551 -2.276 2.614 1.00 0.00 C ATOM 304 O GLN A 19 -16.052 -3.271 3.139 1.00 0.00 O ATOM 305 CB GLN A 19 -15.271 -2.502 0.135 1.00 0.00 C ATOM 306 CG GLN A 19 -15.589 -2.018 -1.277 1.00 0.00 C ATOM 307 CD GLN A 19 -17.050 -2.185 -1.652 1.00 0.00 C ATOM 308 OE1 GLN A 19 -17.730 -3.091 -1.179 1.00 0.00 O ATOM 309 NE2 GLN A 19 -17.543 -1.316 -2.512 1.00 0.00 N ATOM 0 H GLN A 19 -15.080 -0.048 0.519 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.108 -1.972 1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.202 -2.387 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.492 -3.567 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.316 -0.966 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.973 -2.567 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.950 -0.575 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.518 -1.384 -2.804 1.00 0.00 H new ATOM 318 N GLY A 20 -14.557 -1.585 3.172 1.00 0.00 N ATOM 319 CA GLY A 20 -13.926 -2.020 4.416 1.00 0.00 C ATOM 320 C GLY A 20 -12.737 -2.952 4.177 1.00 0.00 C ATOM 321 O GLY A 20 -12.106 -3.429 5.122 1.00 0.00 O ATOM 0 H GLY A 20 -14.173 -0.724 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.591 -1.146 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.664 -2.530 5.035 1.00 0.00 H new ATOM 325 N ARG A 21 -12.412 -3.181 2.906 1.00 0.00 N ATOM 326 CA ARG A 21 -11.370 -4.140 2.526 1.00 0.00 C ATOM 327 C ARG A 21 -10.746 -3.789 1.165 1.00 0.00 C ATOM 328 O ARG A 21 -11.455 -3.574 0.181 1.00 0.00 O ATOM 329 CB ARG A 21 -11.964 -5.558 2.466 1.00 0.00 C ATOM 330 CG ARG A 21 -13.183 -5.668 1.552 1.00 0.00 C ATOM 331 CD ARG A 21 -13.715 -7.094 1.462 1.00 0.00 C ATOM 332 NE ARG A 21 -14.951 -7.161 0.682 1.00 0.00 N ATOM 333 CZ ARG A 21 -15.577 -8.265 0.389 1.00 0.00 C ATOM 334 NH1 ARG A 21 -15.105 -9.411 0.749 1.00 0.00 N ATOM 335 NH2 ARG A 21 -16.686 -8.216 -0.270 1.00 0.00 N ATOM 0 H ARG A 21 -12.857 -2.714 2.116 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.585 -4.095 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.197 -6.251 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.245 -5.869 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.971 -5.012 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.918 -5.318 0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.961 -7.736 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.896 -7.479 2.465 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.349 -6.284 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.230 -9.461 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.607 -10.267 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.068 -7.316 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.180 -9.078 -0.502 1.00 0.00 H new ATOM 349 N PHE A 22 -9.420 -3.727 1.118 1.00 0.00 N ATOM 350 CA PHE A 22 -8.704 -3.537 -0.143 1.00 0.00 C ATOM 351 C PHE A 22 -8.255 -4.892 -0.707 1.00 0.00 C ATOM 352 O PHE A 22 -7.242 -5.456 -0.284 1.00 0.00 O ATOM 353 CB PHE A 22 -7.494 -2.608 0.052 1.00 0.00 C ATOM 354 CG PHE A 22 -6.767 -2.286 -1.233 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.380 -1.522 -2.217 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.476 -2.744 -1.459 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.725 -1.225 -3.395 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.818 -2.447 -2.636 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.442 -1.688 -3.605 1.00 0.00 C ATOM 0 H PHE A 22 -8.817 -3.805 1.937 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.381 -3.068 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.830 -1.679 0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.796 -3.074 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.383 -1.155 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.981 -3.339 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.216 -0.631 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.814 -2.809 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.927 -1.457 -4.526 1.00 0.00 H new ATOM 369 N GLU A 23 -9.036 -5.424 -1.644 1.00 0.00 N ATOM 370 CA GLU A 23 -8.737 -6.717 -2.262 1.00 0.00 C ATOM 371 C GLU A 23 -7.524 -6.617 -3.193 1.00 0.00 C ATOM 372 O GLU A 23 -6.714 -7.542 -3.280 1.00 0.00 O ATOM 373 CB GLU A 23 -9.958 -7.229 -3.038 1.00 0.00 C ATOM 374 CG GLU A 23 -11.196 -7.444 -2.168 1.00 0.00 C ATOM 375 CD GLU A 23 -12.374 -8.009 -2.948 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.284 -9.168 -3.401 1.00 0.00 O ATOM 377 OE2 GLU A 23 -13.390 -7.300 -3.121 1.00 0.00 O ATOM 0 H GLU A 23 -9.884 -4.979 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.498 -7.424 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.199 -6.518 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.699 -8.170 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.948 -8.122 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.486 -6.495 -1.717 1.00 0.00 H new ATOM 384 N GLY A 24 -7.408 -5.486 -3.886 1.00 0.00 N ATOM 385 CA GLY A 24 -6.268 -5.253 -4.767 1.00 0.00 C ATOM 386 C GLY A 24 -6.650 -4.623 -6.105 1.00 0.00 C ATOM 387 O GLY A 24 -7.796 -4.718 -6.549 1.00 0.00 O ATOM 0 H GLY A 24 -8.084 -4.723 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.554 -4.604 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.762 -6.201 -4.952 1.00 0.00 H new ATOM 391 N SER A 25 -5.682 -3.975 -6.745 1.00 0.00 N ATOM 392 CA SER A 25 -5.874 -3.392 -8.081 1.00 0.00 C ATOM 393 C SER A 25 -5.650 -4.445 -9.176 1.00 0.00 C ATOM 394 O SER A 25 -5.167 -5.544 -8.900 1.00 0.00 O ATOM 395 CB SER A 25 -4.908 -2.213 -8.289 1.00 0.00 C ATOM 396 OG SER A 25 -5.021 -1.664 -9.595 1.00 0.00 O ATOM 0 H SER A 25 -4.747 -3.836 -6.361 1.00 0.00 H new ATOM 0 HA SER A 25 -6.901 -3.033 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.114 -1.439 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.884 -2.548 -8.122 1.00 0.00 H new ATOM 0 HG SER A 25 -4.394 -0.917 -9.691 1.00 0.00 H new ATOM 402 N ALA A 26 -5.990 -4.105 -10.420 1.00 0.00 N ATOM 403 CA ALA A 26 -5.809 -5.026 -11.552 1.00 0.00 C ATOM 404 C ALA A 26 -4.359 -5.536 -11.635 1.00 0.00 C ATOM 405 O ALA A 26 -4.114 -6.728 -11.834 1.00 0.00 O ATOM 406 CB ALA A 26 -6.214 -4.344 -12.856 1.00 0.00 C ATOM 0 H ALA A 26 -6.391 -3.202 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.454 -5.890 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.076 -5.036 -13.687 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.261 -4.047 -12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.595 -3.461 -13.012 1.00 0.00 H new ATOM 412 N VAL A 27 -3.407 -4.621 -11.459 1.00 0.00 N ATOM 413 CA VAL A 27 -1.978 -4.962 -11.445 1.00 0.00 C ATOM 414 C VAL A 27 -1.639 -5.926 -10.293 1.00 0.00 C ATOM 415 O VAL A 27 -0.751 -6.778 -10.412 1.00 0.00 O ATOM 416 CB VAL A 27 -1.106 -3.685 -11.320 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.382 -4.029 -11.377 1.00 0.00 C ATOM 418 CG2 VAL A 27 -1.472 -2.675 -12.407 1.00 0.00 C ATOM 0 H VAL A 27 -3.598 -3.628 -11.323 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.758 -5.458 -12.391 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.307 -3.232 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.970 -3.116 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.631 -4.703 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.607 -4.514 -12.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.850 -1.786 -12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.307 -3.120 -13.388 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.521 -2.397 -12.307 1.00 0.00 H new ATOM 428 N ASP A 28 -2.359 -5.796 -9.181 1.00 0.00 N ATOM 429 CA ASP A 28 -2.140 -6.656 -8.016 1.00 0.00 C ATOM 430 C ASP A 28 -2.665 -8.079 -8.268 1.00 0.00 C ATOM 431 O ASP A 28 -1.954 -9.062 -8.060 1.00 0.00 O ATOM 432 CB ASP A 28 -2.794 -6.044 -6.770 1.00 0.00 C ATOM 433 CG ASP A 28 -2.237 -4.667 -6.431 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.060 -4.397 -6.740 1.00 0.00 O ATOM 435 OD2 ASP A 28 -2.975 -3.845 -5.857 1.00 0.00 O ATOM 0 H ASP A 28 -3.099 -5.105 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.066 -6.727 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.870 -5.967 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.644 -6.711 -5.921 1.00 0.00 H new ATOM 440 N LEU A 29 -3.906 -8.186 -8.738 1.00 0.00 N ATOM 441 CA LEU A 29 -4.492 -9.490 -9.081 1.00 0.00 C ATOM 442 C LEU A 29 -3.731 -10.168 -10.236 1.00 0.00 C ATOM 443 O LEU A 29 -3.599 -11.394 -10.272 1.00 0.00 O ATOM 444 CB LEU A 29 -5.983 -9.344 -9.434 1.00 0.00 C ATOM 445 CG LEU A 29 -6.943 -9.185 -8.235 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.597 -7.957 -7.399 1.00 0.00 C ATOM 447 CD2 LEU A 29 -8.393 -9.120 -8.717 1.00 0.00 C ATOM 0 H LEU A 29 -4.527 -7.392 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.402 -10.128 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.100 -8.479 -10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.289 -10.219 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.826 -10.060 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.293 -7.877 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.581 -8.052 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.669 -7.063 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.057 -9.008 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.516 -8.268 -9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.641 -10.038 -9.250 1.00 0.00 H new ATOM 459 N ALA A 30 -3.232 -9.369 -11.180 1.00 0.00 N ATOM 460 CA ALA A 30 -2.416 -9.888 -12.287 1.00 0.00 C ATOM 461 C ALA A 30 -1.089 -10.479 -11.780 1.00 0.00 C ATOM 462 O ALA A 30 -0.576 -11.454 -12.330 1.00 0.00 O ATOM 463 CB ALA A 30 -2.149 -8.783 -13.302 1.00 0.00 C ATOM 0 H ALA A 30 -3.377 -8.360 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.974 -10.691 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.544 -9.177 -14.118 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.096 -8.415 -13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.616 -7.965 -12.817 1.00 0.00 H new ATOM 469 N ASP A 31 -0.539 -9.877 -10.730 1.00 0.00 N ATOM 470 CA ASP A 31 0.695 -10.363 -10.103 1.00 0.00 C ATOM 471 C ASP A 31 0.426 -11.567 -9.188 1.00 0.00 C ATOM 472 O ASP A 31 1.210 -12.519 -9.143 1.00 0.00 O ATOM 473 CB ASP A 31 1.332 -9.228 -9.299 1.00 0.00 C ATOM 474 CG ASP A 31 2.605 -9.643 -8.580 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.640 -9.826 -9.254 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.579 -9.777 -7.342 1.00 0.00 O ATOM 0 H ASP A 31 -0.929 -9.044 -10.289 1.00 0.00 H new ATOM 0 HA ASP A 31 1.375 -10.691 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.555 -8.398 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.612 -8.862 -8.567 1.00 0.00 H new ATOM 481 N GLY A 32 -0.693 -11.515 -8.470 1.00 0.00 N ATOM 482 CA GLY A 32 -1.011 -12.533 -7.476 1.00 0.00 C ATOM 483 C GLY A 32 -0.891 -11.996 -6.054 1.00 0.00 C ATOM 484 O GLY A 32 -1.454 -12.558 -5.111 1.00 0.00 O ATOM 0 H GLY A 32 -1.393 -10.779 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.025 -12.898 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.341 -13.384 -7.601 1.00 0.00 H new ATOM 488 N PHE A 33 -0.141 -10.903 -5.905 1.00 0.00 N ATOM 489 CA PHE A 33 0.038 -10.236 -4.612 1.00 0.00 C ATOM 490 C PHE A 33 -0.242 -8.725 -4.741 1.00 0.00 C ATOM 491 O PHE A 33 -0.173 -8.160 -5.832 1.00 0.00 O ATOM 492 CB PHE A 33 1.464 -10.463 -4.092 1.00 0.00 C ATOM 493 CG PHE A 33 1.941 -11.896 -4.202 1.00 0.00 C ATOM 494 CD1 PHE A 33 2.561 -12.349 -5.361 1.00 0.00 C ATOM 495 CD2 PHE A 33 1.774 -12.786 -3.152 1.00 0.00 C ATOM 496 CE1 PHE A 33 3.000 -13.654 -5.467 1.00 0.00 C ATOM 497 CE2 PHE A 33 2.214 -14.094 -3.255 1.00 0.00 C ATOM 498 CZ PHE A 33 2.826 -14.527 -4.412 1.00 0.00 C ATOM 0 H PHE A 33 0.358 -10.456 -6.674 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.670 -10.663 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.148 -9.820 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.512 -10.154 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.701 -11.671 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.295 -12.454 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.479 -13.991 -6.374 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.078 -14.776 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.169 -15.548 -4.493 1.00 0.00 H new ATOM 508 N ILE A 34 -0.516 -8.070 -3.616 1.00 0.00 N ATOM 509 CA ILE A 34 -0.946 -6.660 -3.609 1.00 0.00 C ATOM 510 C ILE A 34 0.219 -5.662 -3.867 1.00 0.00 C ATOM 511 O ILE A 34 0.056 -4.457 -3.701 1.00 0.00 O ATOM 512 CB ILE A 34 -1.651 -6.331 -2.257 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.737 -7.378 -1.955 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.269 -4.931 -2.272 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.479 -7.135 -0.655 1.00 0.00 C ATOM 0 H ILE A 34 -0.450 -8.489 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.645 -6.536 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.894 -6.358 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.455 -7.390 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.277 -8.365 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.751 -4.736 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.488 -4.190 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.009 -4.868 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.228 -7.914 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.773 -7.153 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.970 -6.163 -0.693 1.00 0.00 H new ATOM 527 N HIS A 35 1.379 -6.159 -4.312 1.00 0.00 N ATOM 528 CA HIS A 35 2.566 -5.303 -4.556 1.00 0.00 C ATOM 529 C HIS A 35 2.879 -4.381 -3.362 1.00 0.00 C ATOM 530 O HIS A 35 2.398 -3.248 -3.303 1.00 0.00 O ATOM 531 CB HIS A 35 2.388 -4.424 -5.809 1.00 0.00 C ATOM 532 CG HIS A 35 2.315 -5.168 -7.105 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.276 -5.062 -8.090 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.362 -5.979 -7.605 1.00 0.00 C ATOM 535 CE1 HIS A 35 2.912 -5.774 -9.136 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.754 -6.339 -8.871 1.00 0.00 N ATOM 0 H HIS A 35 1.530 -7.148 -4.513 1.00 0.00 H new ATOM 0 HA HIS A 35 3.397 -5.993 -4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.477 -3.836 -5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.218 -3.719 -5.859 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.135 -4.517 -8.019 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.457 -6.289 -7.103 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.469 -5.877 -10.055 1.00 0.00 H new ATOM 545 N LEU A 36 3.679 -4.860 -2.415 1.00 0.00 N ATOM 546 CA LEU A 36 4.096 -4.034 -1.274 1.00 0.00 C ATOM 547 C LEU A 36 5.619 -3.841 -1.274 1.00 0.00 C ATOM 548 O LEU A 36 6.358 -4.647 -1.847 1.00 0.00 O ATOM 549 CB LEU A 36 3.637 -4.668 0.046 1.00 0.00 C ATOM 550 CG LEU A 36 2.126 -4.936 0.155 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.787 -5.545 1.507 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.328 -3.656 -0.068 1.00 0.00 C ATOM 0 H LEU A 36 4.053 -5.809 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 36 3.625 -3.056 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.167 -5.611 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.934 -4.015 0.867 1.00 0.00 H new ATOM 0 HG LEU A 36 1.852 -5.647 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.714 -5.727 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.322 -6.487 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.082 -4.858 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.263 -3.872 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.607 -2.917 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.543 -3.262 -1.061 1.00 0.00 H new ATOM 564 N SER A 37 6.089 -2.767 -0.646 1.00 0.00 N ATOM 565 CA SER A 37 7.527 -2.458 -0.612 1.00 0.00 C ATOM 566 C SER A 37 7.962 -1.888 0.743 1.00 0.00 C ATOM 567 O SER A 37 7.186 -1.222 1.427 1.00 0.00 O ATOM 568 CB SER A 37 7.881 -1.458 -1.722 1.00 0.00 C ATOM 569 OG SER A 37 7.636 -2.001 -3.013 1.00 0.00 O ATOM 0 H SER A 37 5.502 -2.094 -0.153 1.00 0.00 H new ATOM 0 HA SER A 37 8.061 -3.395 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.296 -0.548 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.931 -1.177 -1.638 1.00 0.00 H new ATOM 0 HG SER A 37 7.870 -1.339 -3.696 1.00 0.00 H new ATOM 575 N ALA A 38 9.211 -2.159 1.127 1.00 0.00 N ATOM 576 CA ALA A 38 9.791 -1.599 2.355 1.00 0.00 C ATOM 577 C ALA A 38 10.165 -0.117 2.167 1.00 0.00 C ATOM 578 O ALA A 38 9.982 0.435 1.086 1.00 0.00 O ATOM 579 CB ALA A 38 11.016 -2.409 2.771 1.00 0.00 C ATOM 0 H ALA A 38 9.844 -2.765 0.605 1.00 0.00 H new ATOM 0 HA ALA A 38 9.042 -1.657 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.439 -1.986 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.724 -3.443 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.761 -2.376 1.976 1.00 0.00 H new ATOM 585 N GLY A 39 10.707 0.511 3.216 1.00 0.00 N ATOM 586 CA GLY A 39 11.066 1.934 3.156 1.00 0.00 C ATOM 587 C GLY A 39 11.871 2.324 1.909 1.00 0.00 C ATOM 588 O GLY A 39 11.409 3.122 1.087 1.00 0.00 O ATOM 0 H GLY A 39 10.906 0.062 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.154 2.530 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.645 2.190 4.044 1.00 0.00 H new ATOM 592 N GLU A 40 13.073 1.763 1.771 1.00 0.00 N ATOM 593 CA GLU A 40 13.930 2.021 0.601 1.00 0.00 C ATOM 594 C GLU A 40 13.205 1.697 -0.717 1.00 0.00 C ATOM 595 O GLU A 40 13.169 2.509 -1.643 1.00 0.00 O ATOM 596 CB GLU A 40 15.218 1.185 0.685 1.00 0.00 C ATOM 597 CG GLU A 40 16.075 1.465 1.918 1.00 0.00 C ATOM 598 CD GLU A 40 16.572 2.902 1.987 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.209 3.364 1.018 1.00 0.00 O ATOM 600 OE2 GLU A 40 16.348 3.565 3.024 1.00 0.00 O ATOM 0 H GLU A 40 13.481 1.125 2.454 1.00 0.00 H new ATOM 0 HA GLU A 40 14.176 3.083 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.951 0.128 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.816 1.371 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.495 1.244 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.931 0.790 1.919 1.00 0.00 H new ATOM 607 N GLN A 41 12.618 0.502 -0.780 1.00 0.00 N ATOM 608 CA GLN A 41 11.933 0.021 -1.989 1.00 0.00 C ATOM 609 C GLN A 41 10.753 0.932 -2.381 1.00 0.00 C ATOM 610 O GLN A 41 10.456 1.112 -3.564 1.00 0.00 O ATOM 611 CB GLN A 41 11.440 -1.415 -1.761 1.00 0.00 C ATOM 612 CG GLN A 41 12.556 -2.413 -1.455 1.00 0.00 C ATOM 613 CD GLN A 41 12.028 -3.781 -1.057 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.951 -3.901 -0.481 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.780 -4.822 -1.359 1.00 0.00 N ATOM 0 H GLN A 41 12.601 -0.159 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 41 12.647 0.041 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.728 -1.417 -0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.901 -1.749 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.196 -2.516 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.178 -2.020 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.670 -4.686 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.471 -5.763 -1.113 1.00 0.00 H new ATOM 624 N ALA A 42 10.090 1.508 -1.379 1.00 0.00 N ATOM 625 CA ALA A 42 8.962 2.416 -1.610 1.00 0.00 C ATOM 626 C ALA A 42 9.440 3.747 -2.201 1.00 0.00 C ATOM 627 O ALA A 42 8.852 4.266 -3.151 1.00 0.00 O ATOM 628 CB ALA A 42 8.199 2.660 -0.311 1.00 0.00 C ATOM 0 H ALA A 42 10.314 1.362 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 42 8.292 1.944 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.365 3.336 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.819 1.713 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.868 3.106 0.425 1.00 0.00 H new ATOM 634 N GLN A 43 10.519 4.288 -1.631 1.00 0.00 N ATOM 635 CA GLN A 43 11.120 5.532 -2.124 1.00 0.00 C ATOM 636 C GLN A 43 11.701 5.347 -3.538 1.00 0.00 C ATOM 637 O GLN A 43 11.645 6.257 -4.365 1.00 0.00 O ATOM 638 CB GLN A 43 12.208 6.017 -1.149 1.00 0.00 C ATOM 639 CG GLN A 43 12.840 7.361 -1.520 1.00 0.00 C ATOM 640 CD GLN A 43 11.831 8.502 -1.621 1.00 0.00 C ATOM 641 OE1 GLN A 43 12.016 9.439 -2.385 1.00 0.00 O ATOM 642 NE2 GLN A 43 10.764 8.441 -0.846 1.00 0.00 N ATOM 0 H GLN A 43 10.996 3.884 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 43 10.338 6.289 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.775 6.096 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.993 5.263 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.593 7.617 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.358 7.259 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.635 7.648 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.069 9.187 -0.875 1.00 0.00 H new ATOM 651 N GLU A 44 12.255 4.163 -3.804 1.00 0.00 N ATOM 652 CA GLU A 44 12.742 3.812 -5.147 1.00 0.00 C ATOM 653 C GLU A 44 11.574 3.770 -6.143 1.00 0.00 C ATOM 654 O GLU A 44 11.575 4.481 -7.150 1.00 0.00 O ATOM 655 CB GLU A 44 13.476 2.454 -5.095 1.00 0.00 C ATOM 656 CG GLU A 44 14.218 2.051 -6.379 1.00 0.00 C ATOM 657 CD GLU A 44 13.311 1.522 -7.487 1.00 0.00 C ATOM 658 OE1 GLU A 44 12.600 0.520 -7.254 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.316 2.096 -8.597 1.00 0.00 O ATOM 0 H GLU A 44 12.380 3.427 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 44 13.444 4.573 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.194 2.480 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.749 1.677 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.766 2.915 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.956 1.288 -6.134 1.00 0.00 H new ATOM 666 N THR A 45 10.571 2.943 -5.844 1.00 0.00 N ATOM 667 CA THR A 45 9.355 2.862 -6.668 1.00 0.00 C ATOM 668 C THR A 45 8.700 4.243 -6.833 1.00 0.00 C ATOM 669 O THR A 45 8.089 4.534 -7.860 1.00 0.00 O ATOM 670 CB THR A 45 8.326 1.874 -6.061 1.00 0.00 C ATOM 671 OG1 THR A 45 8.893 0.556 -5.987 1.00 0.00 O ATOM 672 CG2 THR A 45 7.038 1.821 -6.881 1.00 0.00 C ATOM 0 H THR A 45 10.573 2.318 -5.038 1.00 0.00 H new ATOM 0 HA THR A 45 9.660 2.495 -7.648 1.00 0.00 H new ATOM 0 HB THR A 45 8.080 2.233 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.488 0.499 -5.210 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.343 1.117 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.584 2.812 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.266 1.496 -7.896 1.00 0.00 H new ATOM 680 N ALA A 46 8.834 5.093 -5.821 1.00 0.00 N ATOM 681 CA ALA A 46 8.344 6.471 -5.907 1.00 0.00 C ATOM 682 C ALA A 46 9.126 7.274 -6.960 1.00 0.00 C ATOM 683 O ALA A 46 8.556 7.764 -7.930 1.00 0.00 O ATOM 684 CB ALA A 46 8.431 7.151 -4.544 1.00 0.00 C ATOM 0 H ALA A 46 9.276 4.857 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 46 7.300 6.439 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.064 8.174 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.824 6.602 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.468 7.163 -4.209 1.00 0.00 H new ATOM 690 N ALA A 47 10.441 7.372 -6.785 1.00 0.00 N ATOM 691 CA ALA A 47 11.284 8.154 -7.697 1.00 0.00 C ATOM 692 C ALA A 47 11.270 7.591 -9.128 1.00 0.00 C ATOM 693 O ALA A 47 11.485 8.321 -10.099 1.00 0.00 O ATOM 694 CB ALA A 47 12.712 8.212 -7.163 1.00 0.00 C ATOM 0 H ALA A 47 10.949 6.922 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 47 10.871 9.162 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.332 8.794 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.714 8.682 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.112 7.201 -7.082 1.00 0.00 H new ATOM 700 N LYS A 48 11.021 6.290 -9.252 1.00 0.00 N ATOM 701 CA LYS A 48 10.991 5.621 -10.557 1.00 0.00 C ATOM 702 C LYS A 48 9.594 5.690 -11.207 1.00 0.00 C ATOM 703 O LYS A 48 9.465 5.994 -12.396 1.00 0.00 O ATOM 704 CB LYS A 48 11.418 4.154 -10.393 1.00 0.00 C ATOM 705 CG LYS A 48 11.655 3.416 -11.708 1.00 0.00 C ATOM 706 CD LYS A 48 12.819 4.019 -12.489 1.00 0.00 C ATOM 707 CE LYS A 48 13.088 3.261 -13.785 1.00 0.00 C ATOM 708 NZ LYS A 48 11.910 3.262 -14.695 1.00 0.00 N ATOM 0 H LYS A 48 10.836 5.672 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 48 11.687 6.141 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.332 4.118 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.651 3.626 -9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.859 2.365 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.751 3.454 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.601 5.062 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.716 4.009 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.939 3.710 -14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.363 2.232 -13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.189 2.887 -15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.159 2.666 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.558 4.234 -14.806 1.00 0.00 H new ATOM 722 N TRP A 49 8.556 5.409 -10.418 1.00 0.00 N ATOM 723 CA TRP A 49 7.176 5.342 -10.929 1.00 0.00 C ATOM 724 C TRP A 49 6.289 6.479 -10.383 1.00 0.00 C ATOM 725 O TRP A 49 5.652 7.204 -11.150 1.00 0.00 O ATOM 726 CB TRP A 49 6.540 3.991 -10.560 1.00 0.00 C ATOM 727 CG TRP A 49 7.275 2.794 -11.096 1.00 0.00 C ATOM 728 CD1 TRP A 49 8.349 2.167 -10.530 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.981 2.074 -12.301 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.743 1.109 -11.310 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.920 1.030 -12.402 1.00 0.00 C ATOM 732 CE3 TRP A 49 6.018 2.210 -13.305 1.00 0.00 C ATOM 733 CZ2 TRP A 49 7.924 0.130 -13.463 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.023 1.314 -14.358 1.00 0.00 C ATOM 735 CH2 TRP A 49 6.970 0.285 -14.430 1.00 0.00 C ATOM 0 H TRP A 49 8.640 5.223 -9.419 1.00 0.00 H new ATOM 0 HA TRP A 49 7.236 5.452 -12.012 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.485 3.913 -9.474 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.516 3.971 -10.933 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.819 2.461 -9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.523 0.483 -11.109 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.284 3.000 -13.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.655 -0.663 -13.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.283 1.409 -15.139 1.00 0.00 H new ATOM 0 HH2 TRP A 49 6.946 -0.399 -15.265 1.00 0.00 H new ATOM 746 N PHE A 50 6.262 6.647 -9.060 1.00 0.00 N ATOM 747 CA PHE A 50 5.305 7.562 -8.417 1.00 0.00 C ATOM 748 C PHE A 50 5.971 8.874 -8.011 1.00 0.00 C ATOM 749 O PHE A 50 6.030 9.232 -6.835 1.00 0.00 O ATOM 750 CB PHE A 50 4.644 6.900 -7.200 1.00 0.00 C ATOM 751 CG PHE A 50 3.754 5.733 -7.549 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.423 5.942 -7.884 1.00 0.00 C ATOM 753 CD2 PHE A 50 4.243 4.434 -7.540 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.597 4.879 -8.204 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.421 3.368 -7.859 1.00 0.00 C ATOM 756 CZ PHE A 50 2.097 3.590 -8.192 1.00 0.00 C ATOM 0 H PHE A 50 6.886 6.167 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 50 4.532 7.790 -9.150 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.422 6.560 -6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.056 7.647 -6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.027 6.947 -7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.276 4.254 -7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.563 5.056 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.813 2.362 -7.848 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.455 2.758 -8.442 1.00 0.00 H new ATOM 766 N ARG A 51 6.503 9.574 -8.999 1.00 0.00 N ATOM 767 CA ARG A 51 7.098 10.888 -8.779 1.00 0.00 C ATOM 768 C ARG A 51 6.180 11.987 -9.333 1.00 0.00 C ATOM 769 O ARG A 51 6.521 13.168 -9.339 1.00 0.00 O ATOM 770 CB ARG A 51 8.474 10.939 -9.435 1.00 0.00 C ATOM 771 CG ARG A 51 8.435 10.872 -10.953 1.00 0.00 C ATOM 772 CD ARG A 51 9.833 10.818 -11.538 1.00 0.00 C ATOM 773 NE ARG A 51 9.827 10.825 -12.997 1.00 0.00 N ATOM 774 CZ ARG A 51 10.832 10.435 -13.730 1.00 0.00 C ATOM 775 NH1 ARG A 51 11.901 9.957 -13.175 1.00 0.00 N ATOM 776 NH2 ARG A 51 10.758 10.512 -15.017 1.00 0.00 N ATOM 0 H ARG A 51 6.536 9.255 -9.967 1.00 0.00 H new ATOM 0 HA ARG A 51 7.216 11.060 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.975 11.859 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.076 10.111 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.873 9.992 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.908 11.742 -11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.408 11.670 -11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.337 9.919 -11.184 1.00 0.00 H new ATOM 0 HE ARG A 51 8.987 11.155 -13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.959 9.884 -12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.684 9.653 -13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.914 10.878 -15.458 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.543 10.207 -15.592 1.00 0.00 H new ATOM 790 N GLY A 52 5.022 11.565 -9.828 1.00 0.00 N ATOM 791 CA GLY A 52 3.966 12.492 -10.226 1.00 0.00 C ATOM 792 C GLY A 52 2.729 12.362 -9.339 1.00 0.00 C ATOM 793 O GLY A 52 1.637 12.047 -9.815 1.00 0.00 O ATOM 0 H GLY A 52 4.789 10.581 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.342 13.514 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.690 12.304 -11.264 1.00 0.00 H new ATOM 797 N GLN A 53 2.907 12.598 -8.041 1.00 0.00 N ATOM 798 CA GLN A 53 1.835 12.399 -7.054 1.00 0.00 C ATOM 799 C GLN A 53 0.763 13.499 -7.141 1.00 0.00 C ATOM 800 O GLN A 53 1.011 14.651 -6.778 1.00 0.00 O ATOM 801 CB GLN A 53 2.427 12.361 -5.635 1.00 0.00 C ATOM 802 CG GLN A 53 3.629 11.424 -5.467 1.00 0.00 C ATOM 803 CD GLN A 53 3.322 9.961 -5.746 1.00 0.00 C ATOM 804 OE1 GLN A 53 2.512 9.624 -6.593 1.00 0.00 O ATOM 805 NE2 GLN A 53 3.977 9.074 -5.030 1.00 0.00 N ATOM 0 H GLN A 53 3.785 12.929 -7.642 1.00 0.00 H new ATOM 0 HA GLN A 53 1.354 11.447 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.728 13.370 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.646 12.056 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.426 11.750 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.008 11.517 -4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.650 9.382 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.813 8.078 -5.177 1.00 0.00 H new ATOM 814 N ALA A 54 -0.433 13.140 -7.612 1.00 0.00 N ATOM 815 CA ALA A 54 -1.523 14.112 -7.765 1.00 0.00 C ATOM 816 C ALA A 54 -2.645 13.902 -6.737 1.00 0.00 C ATOM 817 O ALA A 54 -2.877 14.746 -5.865 1.00 0.00 O ATOM 818 CB ALA A 54 -2.088 14.059 -9.184 1.00 0.00 C ATOM 0 H ALA A 54 -0.673 12.189 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.099 15.099 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.895 14.785 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.299 14.295 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.473 13.059 -9.385 1.00 0.00 H new ATOM 824 N ASN A 55 -3.347 12.781 -6.854 1.00 0.00 N ATOM 825 CA ASN A 55 -4.466 12.462 -5.970 1.00 0.00 C ATOM 826 C ASN A 55 -4.420 10.991 -5.538 1.00 0.00 C ATOM 827 O ASN A 55 -5.310 10.200 -5.850 1.00 0.00 O ATOM 828 CB ASN A 55 -5.799 12.808 -6.660 1.00 0.00 C ATOM 829 CG ASN A 55 -5.959 12.155 -8.027 1.00 0.00 C ATOM 830 OD1 ASN A 55 -4.986 11.847 -8.707 1.00 0.00 O ATOM 831 ND2 ASN A 55 -7.189 11.973 -8.455 1.00 0.00 N ATOM 0 H ASN A 55 -3.159 12.069 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.384 13.067 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.623 12.497 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.872 13.890 -6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.354 11.566 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.978 12.239 -7.866 1.00 0.00 H new ATOM 838 N LEU A 56 -3.348 10.625 -4.844 1.00 0.00 N ATOM 839 CA LEU A 56 -3.159 9.268 -4.355 1.00 0.00 C ATOM 840 C LEU A 56 -2.788 9.235 -2.857 1.00 0.00 C ATOM 841 O LEU A 56 -2.704 10.275 -2.205 1.00 0.00 O ATOM 842 CB LEU A 56 -2.089 8.600 -5.219 1.00 0.00 C ATOM 843 CG LEU A 56 -0.914 9.499 -5.641 1.00 0.00 C ATOM 844 CD1 LEU A 56 0.172 9.522 -4.572 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.350 9.055 -6.988 1.00 0.00 C ATOM 0 H LEU A 56 -2.587 11.261 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.097 8.719 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.690 7.745 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.566 8.211 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.290 10.516 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.990 10.165 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.243 9.906 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.547 8.511 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.480 9.704 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.003 8.027 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.130 9.116 -7.747 1.00 0.00 H new ATOM 857 N VAL A 57 -2.593 8.030 -2.316 1.00 0.00 N ATOM 858 CA VAL A 57 -2.304 7.843 -0.884 1.00 0.00 C ATOM 859 C VAL A 57 -1.151 6.848 -0.662 1.00 0.00 C ATOM 860 O VAL A 57 -0.971 5.903 -1.433 1.00 0.00 O ATOM 861 CB VAL A 57 -3.555 7.328 -0.115 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.259 7.141 1.376 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.740 8.268 -0.311 1.00 0.00 C ATOM 0 H VAL A 57 -2.630 7.161 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.015 8.821 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.815 6.354 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.154 6.781 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.455 6.415 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.956 8.094 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.602 7.886 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.483 9.260 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.983 8.331 -1.372 1.00 0.00 H new ATOM 873 N LEU A 58 -0.376 7.077 0.397 1.00 0.00 N ATOM 874 CA LEU A 58 0.692 6.162 0.814 1.00 0.00 C ATOM 875 C LEU A 58 0.234 5.299 2.006 1.00 0.00 C ATOM 876 O LEU A 58 0.072 5.801 3.120 1.00 0.00 O ATOM 877 CB LEU A 58 1.947 6.961 1.204 1.00 0.00 C ATOM 878 CG LEU A 58 3.131 6.126 1.720 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.636 5.171 0.640 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.255 7.036 2.211 1.00 0.00 C ATOM 0 H LEU A 58 -0.469 7.901 0.991 1.00 0.00 H new ATOM 0 HA LEU A 58 0.928 5.505 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.278 7.530 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.672 7.683 1.973 1.00 0.00 H new ATOM 0 HG LEU A 58 2.785 5.526 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.473 4.592 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.832 4.495 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.963 5.744 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.084 6.428 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.598 7.666 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.886 7.665 3.021 1.00 0.00 H new ATOM 892 N LEU A 59 0.009 4.010 1.765 1.00 0.00 N ATOM 893 CA LEU A 59 -0.394 3.082 2.831 1.00 0.00 C ATOM 894 C LEU A 59 0.820 2.533 3.595 1.00 0.00 C ATOM 895 O LEU A 59 1.897 2.360 3.028 1.00 0.00 O ATOM 896 CB LEU A 59 -1.201 1.910 2.252 1.00 0.00 C ATOM 897 CG LEU A 59 -2.532 2.289 1.591 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.244 1.044 1.064 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.424 3.053 2.568 1.00 0.00 C ATOM 0 H LEU A 59 0.097 3.580 0.844 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.015 3.645 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.584 1.395 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.402 1.199 3.053 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.320 2.944 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.186 1.333 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.612 0.548 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.442 0.361 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.363 3.312 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.629 2.429 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.918 3.964 2.886 1.00 0.00 H new ATOM 911 N ALA A 60 0.627 2.266 4.886 1.00 0.00 N ATOM 912 CA ALA A 60 1.665 1.659 5.729 1.00 0.00 C ATOM 913 C ALA A 60 1.043 0.649 6.703 1.00 0.00 C ATOM 914 O ALA A 60 0.046 0.955 7.361 1.00 0.00 O ATOM 915 CB ALA A 60 2.419 2.739 6.498 1.00 0.00 C ATOM 0 H ALA A 60 -0.245 2.461 5.377 1.00 0.00 H new ATOM 0 HA ALA A 60 2.369 1.131 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.186 2.275 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.889 3.426 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.722 3.288 7.131 1.00 0.00 H new ATOM 921 N VAL A 61 1.619 -0.555 6.785 1.00 0.00 N ATOM 922 CA VAL A 61 1.085 -1.619 7.658 1.00 0.00 C ATOM 923 C VAL A 61 2.203 -2.352 8.430 1.00 0.00 C ATOM 924 O VAL A 61 3.285 -2.590 7.895 1.00 0.00 O ATOM 925 CB VAL A 61 0.275 -2.664 6.837 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.278 -3.767 7.744 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.855 -1.992 6.057 1.00 0.00 C ATOM 0 H VAL A 61 2.453 -0.822 6.261 1.00 0.00 H new ATOM 0 HA VAL A 61 0.429 -1.126 8.375 1.00 0.00 H new ATOM 0 HB VAL A 61 0.956 -3.123 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.840 -4.483 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.547 -4.277 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.936 -3.326 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.405 -2.745 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.531 -1.494 6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.436 -1.257 5.370 1.00 0.00 H new ATOM 937 N GLU A 62 1.927 -2.697 9.694 1.00 0.00 N ATOM 938 CA GLU A 62 2.836 -3.521 10.512 1.00 0.00 C ATOM 939 C GLU A 62 2.793 -4.999 10.074 1.00 0.00 C ATOM 940 O GLU A 62 1.744 -5.642 10.121 1.00 0.00 O ATOM 941 CB GLU A 62 2.458 -3.400 12.001 1.00 0.00 C ATOM 942 CG GLU A 62 2.910 -2.100 12.666 1.00 0.00 C ATOM 943 CD GLU A 62 4.369 -2.143 13.101 1.00 0.00 C ATOM 944 OE1 GLU A 62 5.259 -1.797 12.301 1.00 0.00 O ATOM 945 OE2 GLU A 62 4.637 -2.534 14.256 1.00 0.00 O ATOM 0 H GLU A 62 1.074 -2.417 10.179 1.00 0.00 H new ATOM 0 HA GLU A 62 3.852 -3.154 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.375 -3.485 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.892 -4.240 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.765 -1.272 11.972 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.281 -1.902 13.534 1.00 0.00 H new ATOM 952 N ALA A 63 3.943 -5.533 9.663 1.00 0.00 N ATOM 953 CA ALA A 63 4.028 -6.899 9.122 1.00 0.00 C ATOM 954 C ALA A 63 3.992 -7.996 10.206 1.00 0.00 C ATOM 955 O ALA A 63 3.432 -9.072 9.986 1.00 0.00 O ATOM 956 CB ALA A 63 5.294 -7.037 8.289 1.00 0.00 C ATOM 0 H ALA A 63 4.836 -5.041 9.693 1.00 0.00 H new ATOM 0 HA ALA A 63 3.142 -7.048 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.357 -8.049 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.268 -6.322 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.164 -6.839 8.915 1.00 0.00 H new ATOM 962 N GLU A 64 4.586 -7.727 11.370 1.00 0.00 N ATOM 963 CA GLU A 64 4.742 -8.752 12.423 1.00 0.00 C ATOM 964 C GLU A 64 3.402 -9.387 12.876 1.00 0.00 C ATOM 965 O GLU A 64 3.254 -10.612 12.828 1.00 0.00 O ATOM 966 CB GLU A 64 5.479 -8.189 13.657 1.00 0.00 C ATOM 967 CG GLU A 64 6.952 -7.846 13.433 1.00 0.00 C ATOM 968 CD GLU A 64 7.176 -6.615 12.569 1.00 0.00 C ATOM 969 OE1 GLU A 64 6.303 -5.718 12.542 1.00 0.00 O ATOM 970 OE2 GLU A 64 8.245 -6.519 11.938 1.00 0.00 O ATOM 0 H GLU A 64 4.968 -6.813 11.614 1.00 0.00 H new ATOM 0 HA GLU A 64 5.339 -9.539 11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.960 -7.291 13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.411 -8.917 14.465 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.429 -7.690 14.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.446 -8.699 12.968 1.00 0.00 H new ATOM 977 N PRO A 65 2.402 -8.582 13.314 1.00 0.00 N ATOM 978 CA PRO A 65 1.179 -9.120 13.945 1.00 0.00 C ATOM 979 C PRO A 65 0.182 -9.756 12.956 1.00 0.00 C ATOM 980 O PRO A 65 -0.877 -10.242 13.364 1.00 0.00 O ATOM 981 CB PRO A 65 0.569 -7.880 14.605 1.00 0.00 C ATOM 982 CG PRO A 65 0.985 -6.752 13.725 1.00 0.00 C ATOM 983 CD PRO A 65 2.366 -7.103 13.229 1.00 0.00 C ATOM 0 HA PRO A 65 1.412 -9.936 14.629 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.517 -7.956 14.668 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.939 -7.748 15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.291 -6.629 12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.995 -5.811 14.275 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.525 -6.756 12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.141 -6.647 13.845 1.00 0.00 H new ATOM 991 N LEU A 66 0.513 -9.760 11.665 1.00 0.00 N ATOM 992 CA LEU A 66 -0.376 -10.340 10.646 1.00 0.00 C ATOM 993 C LEU A 66 -0.537 -11.860 10.829 1.00 0.00 C ATOM 994 O LEU A 66 -1.655 -12.375 10.868 1.00 0.00 O ATOM 995 CB LEU A 66 0.153 -10.034 9.235 1.00 0.00 C ATOM 996 CG LEU A 66 0.265 -8.539 8.884 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.779 -8.353 7.456 1.00 0.00 C ATOM 998 CD2 LEU A 66 -1.081 -7.840 9.069 1.00 0.00 C ATOM 0 H LEU A 66 1.382 -9.373 11.297 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.357 -9.882 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.137 -10.490 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.502 -10.513 8.507 1.00 0.00 H new ATOM 0 HG LEU A 66 0.984 -8.083 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.850 -7.289 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.764 -8.810 7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.090 -8.827 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.981 -6.785 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.823 -8.301 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.401 -7.935 10.107 1.00 0.00 H new ATOM 1010 N GLY A 67 0.585 -12.565 10.965 1.00 0.00 N ATOM 1011 CA GLY A 67 0.555 -14.025 11.069 1.00 0.00 C ATOM 1012 C GLY A 67 1.362 -14.710 9.971 1.00 0.00 C ATOM 1013 O GLY A 67 0.941 -15.727 9.410 1.00 0.00 O ATOM 0 H GLY A 67 1.518 -12.155 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.946 -14.324 12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.479 -14.367 11.022 1.00 0.00 H new ATOM 1017 N GLU A 68 2.538 -14.152 9.686 1.00 0.00 N ATOM 1018 CA GLU A 68 3.427 -14.641 8.624 1.00 0.00 C ATOM 1019 C GLU A 68 2.726 -14.700 7.248 1.00 0.00 C ATOM 1020 O GLU A 68 3.181 -15.393 6.339 1.00 0.00 O ATOM 1021 CB GLU A 68 4.008 -16.018 8.992 1.00 0.00 C ATOM 1022 CG GLU A 68 4.826 -16.042 10.289 1.00 0.00 C ATOM 1023 CD GLU A 68 3.965 -16.010 11.545 1.00 0.00 C ATOM 1024 OE1 GLU A 68 3.438 -17.074 11.929 1.00 0.00 O ATOM 1025 OE2 GLU A 68 3.804 -14.925 12.146 1.00 0.00 O ATOM 0 H GLU A 68 2.906 -13.343 10.186 1.00 0.00 H new ATOM 0 HA GLU A 68 4.243 -13.923 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.188 -16.731 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.640 -16.361 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.445 -16.939 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.503 -15.188 10.299 1.00 0.00 H new ATOM 1032 N ASP A 69 1.632 -13.948 7.096 1.00 0.00 N ATOM 1033 CA ASP A 69 0.911 -13.861 5.818 1.00 0.00 C ATOM 1034 C ASP A 69 1.710 -13.078 4.762 1.00 0.00 C ATOM 1035 O ASP A 69 1.410 -13.136 3.567 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.452 -13.194 6.028 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.393 -14.046 6.861 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.383 -13.922 8.101 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -2.149 -14.846 6.275 1.00 0.00 O ATOM 0 H ASP A 69 1.223 -13.388 7.844 1.00 0.00 H new ATOM 0 HA ASP A 69 0.773 -14.878 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.310 -12.230 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.909 -12.995 5.059 1.00 0.00 H new ATOM 1044 N LEU A 70 2.717 -12.337 5.213 1.00 0.00 N ATOM 1045 CA LEU A 70 3.561 -11.545 4.318 1.00 0.00 C ATOM 1046 C LEU A 70 4.768 -12.362 3.837 1.00 0.00 C ATOM 1047 O LEU A 70 5.661 -12.691 4.619 1.00 0.00 O ATOM 1048 CB LEU A 70 4.047 -10.279 5.030 1.00 0.00 C ATOM 1049 CG LEU A 70 4.847 -9.307 4.151 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.948 -8.682 3.086 1.00 0.00 C ATOM 1051 CD2 LEU A 70 5.517 -8.233 5.003 1.00 0.00 C ATOM 0 H LEU A 70 2.971 -12.267 6.198 1.00 0.00 H new ATOM 0 HA LEU A 70 2.963 -11.264 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.182 -9.752 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.666 -10.572 5.878 1.00 0.00 H new ATOM 0 HG LEU A 70 5.631 -9.869 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.533 -7.996 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.531 -9.467 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.137 -8.136 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.078 -7.556 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.756 -7.671 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.196 -8.704 5.714 1.00 0.00 H new ATOM 1063 N LYS A 71 4.793 -12.684 2.550 1.00 0.00 N ATOM 1064 CA LYS A 71 5.875 -13.490 1.982 1.00 0.00 C ATOM 1065 C LYS A 71 6.960 -12.592 1.358 1.00 0.00 C ATOM 1066 O LYS A 71 6.776 -12.040 0.270 1.00 0.00 O ATOM 1067 CB LYS A 71 5.302 -14.454 0.924 1.00 0.00 C ATOM 1068 CG LYS A 71 6.006 -15.812 0.832 1.00 0.00 C ATOM 1069 CD LYS A 71 7.496 -15.689 0.518 1.00 0.00 C ATOM 1070 CE LYS A 71 8.156 -17.058 0.370 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.626 -17.810 -0.800 1.00 0.00 N ATOM 0 H LYS A 71 4.080 -12.402 1.878 1.00 0.00 H new ATOM 0 HA LYS A 71 6.337 -14.068 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.248 -14.623 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.352 -13.970 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.881 -16.345 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.526 -16.413 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.628 -15.120 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.991 -15.130 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.233 -16.931 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.993 -17.639 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.012 -18.776 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.588 -17.851 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.907 -17.329 -1.678 1.00 0.00 H new ATOM 1085 N TRP A 72 8.090 -12.446 2.045 1.00 0.00 N ATOM 1086 CA TRP A 72 9.230 -11.715 1.484 1.00 0.00 C ATOM 1087 C TRP A 72 9.847 -12.511 0.331 1.00 0.00 C ATOM 1088 O TRP A 72 10.680 -13.394 0.536 1.00 0.00 O ATOM 1089 CB TRP A 72 10.284 -11.420 2.560 1.00 0.00 C ATOM 1090 CG TRP A 72 9.943 -10.241 3.420 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.095 -10.215 4.491 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.442 -8.906 3.269 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.042 -8.947 5.017 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.861 -8.126 4.285 1.00 0.00 C ATOM 1095 CE3 TRP A 72 11.327 -8.298 2.374 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 10.136 -6.769 4.430 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 11.600 -6.950 2.518 1.00 0.00 C ATOM 1098 CH2 TRP A 72 11.005 -6.198 3.540 1.00 0.00 C ATOM 0 H TRP A 72 8.243 -12.819 2.982 1.00 0.00 H new ATOM 0 HA TRP A 72 8.869 -10.760 1.102 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.403 -12.300 3.193 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.245 -11.243 2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.547 -11.066 4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.484 -8.662 5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.789 -8.871 1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.680 -6.187 5.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 12.282 -6.469 1.832 1.00 0.00 H new ATOM 0 HH2 TRP A 72 11.237 -5.147 3.627 1.00 0.00 H new ATOM 1109 N GLU A 73 9.410 -12.196 -0.881 1.00 0.00 N ATOM 1110 CA GLU A 73 9.732 -13.001 -2.058 1.00 0.00 C ATOM 1111 C GLU A 73 10.443 -12.175 -3.134 1.00 0.00 C ATOM 1112 O GLU A 73 10.070 -11.031 -3.408 1.00 0.00 O ATOM 1113 CB GLU A 73 8.440 -13.611 -2.625 1.00 0.00 C ATOM 1114 CG GLU A 73 8.661 -14.576 -3.784 1.00 0.00 C ATOM 1115 CD GLU A 73 9.611 -15.706 -3.426 1.00 0.00 C ATOM 1116 OE1 GLU A 73 9.188 -16.649 -2.722 1.00 0.00 O ATOM 1117 OE2 GLU A 73 10.788 -15.655 -3.839 1.00 0.00 O ATOM 0 H GLU A 73 8.827 -11.383 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 73 10.415 -13.794 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.917 -14.135 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.786 -12.805 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.703 -14.995 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.059 -14.028 -4.638 1.00 0.00 H new ATOM 1124 N ALA A 74 11.461 -12.770 -3.747 1.00 0.00 N ATOM 1125 CA ALA A 74 12.218 -12.111 -4.809 1.00 0.00 C ATOM 1126 C ALA A 74 11.519 -12.256 -6.166 1.00 0.00 C ATOM 1127 O ALA A 74 10.488 -12.918 -6.283 1.00 0.00 O ATOM 1128 CB ALA A 74 13.633 -12.677 -4.879 1.00 0.00 C ATOM 0 H ALA A 74 11.783 -13.712 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 74 12.272 -11.048 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.186 -12.177 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.138 -12.513 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.587 -13.746 -5.085 1.00 0.00 H new ATOM 1134 N SER A 75 12.087 -11.631 -7.186 1.00 0.00 N ATOM 1135 CA SER A 75 11.549 -11.712 -8.547 1.00 0.00 C ATOM 1136 C SER A 75 12.558 -11.139 -9.549 1.00 0.00 C ATOM 1137 O SER A 75 13.699 -10.840 -9.183 1.00 0.00 O ATOM 1138 CB SER A 75 10.206 -10.962 -8.649 1.00 0.00 C ATOM 1139 OG SER A 75 9.578 -11.188 -9.903 1.00 0.00 O ATOM 0 H SER A 75 12.926 -11.057 -7.102 1.00 0.00 H new ATOM 0 HA SER A 75 11.373 -12.761 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.545 -11.287 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.373 -9.894 -8.512 1.00 0.00 H new ATOM 0 HG SER A 75 8.728 -10.701 -9.936 1.00 0.00 H new ATOM 1145 N ARG A 76 12.142 -10.986 -10.804 1.00 0.00 N ATOM 1146 CA ARG A 76 13.015 -10.452 -11.857 1.00 0.00 C ATOM 1147 C ARG A 76 13.618 -9.093 -11.454 1.00 0.00 C ATOM 1148 O ARG A 76 12.983 -8.041 -11.583 1.00 0.00 O ATOM 1149 CB ARG A 76 12.232 -10.343 -13.172 1.00 0.00 C ATOM 1150 CG ARG A 76 11.719 -11.692 -13.671 1.00 0.00 C ATOM 1151 CD ARG A 76 10.813 -11.558 -14.890 1.00 0.00 C ATOM 1152 NE ARG A 76 11.487 -10.914 -16.016 1.00 0.00 N ATOM 1153 CZ ARG A 76 11.726 -11.494 -17.163 1.00 0.00 C ATOM 1154 NH1 ARG A 76 11.348 -12.713 -17.385 1.00 0.00 N ATOM 1155 NH2 ARG A 76 12.326 -10.836 -18.098 1.00 0.00 N ATOM 0 H ARG A 76 11.202 -11.224 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 76 13.848 -11.140 -11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.388 -9.668 -13.031 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.872 -9.899 -13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.567 -12.330 -13.921 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.173 -12.188 -12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.468 -12.546 -15.193 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.929 -10.980 -14.621 1.00 0.00 H new ATOM 0 HE ARG A 76 11.791 -9.947 -15.899 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.856 -13.235 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.542 -13.151 -18.285 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.611 -9.869 -17.939 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.515 -11.283 -18.995 1.00 0.00 H new ATOM 1169 N GLY A 77 14.854 -9.139 -10.956 1.00 0.00 N ATOM 1170 CA GLY A 77 15.510 -7.955 -10.404 1.00 0.00 C ATOM 1171 C GLY A 77 16.400 -8.285 -9.204 1.00 0.00 C ATOM 1172 O GLY A 77 17.237 -7.478 -8.796 1.00 0.00 O ATOM 0 H GLY A 77 15.422 -9.986 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.112 -7.482 -11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.753 -7.231 -10.103 1.00 0.00 H new ATOM 1176 N GLY A 78 16.195 -9.468 -8.619 1.00 0.00 N ATOM 1177 CA GLY A 78 17.040 -9.933 -7.516 1.00 0.00 C ATOM 1178 C GLY A 78 16.641 -9.372 -6.151 1.00 0.00 C ATOM 1179 O GLY A 78 17.217 -9.744 -5.126 1.00 0.00 O ATOM 0 H GLY A 78 15.456 -10.118 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.002 -11.022 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.074 -9.658 -7.723 1.00 0.00 H new ATOM 1183 N ALA A 79 15.655 -8.482 -6.130 1.00 0.00 N ATOM 1184 CA ALA A 79 15.209 -7.843 -4.888 1.00 0.00 C ATOM 1185 C ALA A 79 14.001 -8.565 -4.273 1.00 0.00 C ATOM 1186 O ALA A 79 13.012 -8.837 -4.957 1.00 0.00 O ATOM 1187 CB ALA A 79 14.872 -6.378 -5.147 1.00 0.00 C ATOM 0 H ALA A 79 15.145 -8.183 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 79 16.027 -7.906 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.542 -5.911 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.757 -5.861 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.076 -6.313 -5.889 1.00 0.00 H new ATOM 1193 N ARG A 80 14.093 -8.886 -2.983 1.00 0.00 N ATOM 1194 CA ARG A 80 12.972 -9.484 -2.254 1.00 0.00 C ATOM 1195 C ARG A 80 11.956 -8.420 -1.825 1.00 0.00 C ATOM 1196 O ARG A 80 12.228 -7.602 -0.946 1.00 0.00 O ATOM 1197 CB ARG A 80 13.464 -10.256 -1.020 1.00 0.00 C ATOM 1198 CG ARG A 80 14.092 -11.607 -1.341 1.00 0.00 C ATOM 1199 CD ARG A 80 14.489 -12.345 -0.070 1.00 0.00 C ATOM 1200 NE ARG A 80 14.912 -13.721 -0.322 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.990 -14.638 0.608 1.00 0.00 C ATOM 1202 NH1 ARG A 80 14.692 -14.355 1.839 1.00 0.00 N ATOM 1203 NH2 ARG A 80 15.371 -15.836 0.310 1.00 0.00 N ATOM 0 H ARG A 80 14.931 -8.743 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 80 12.481 -10.181 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.194 -9.645 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.624 -10.410 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.387 -12.212 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.970 -11.463 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.299 -11.805 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 80 13.645 -12.350 0.620 1.00 0.00 H new ATOM 0 HE ARG A 80 15.160 -13.981 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 80 14.394 -13.412 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.756 -15.076 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 80 15.612 -16.070 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 80 15.431 -16.548 1.038 1.00 0.00 H new ATOM 1217 N PHE A 81 10.790 -8.433 -2.458 1.00 0.00 N ATOM 1218 CA PHE A 81 9.700 -7.527 -2.092 1.00 0.00 C ATOM 1219 C PHE A 81 8.683 -8.237 -1.188 1.00 0.00 C ATOM 1220 O PHE A 81 8.350 -9.410 -1.408 1.00 0.00 O ATOM 1221 CB PHE A 81 8.997 -6.993 -3.350 1.00 0.00 C ATOM 1222 CG PHE A 81 9.850 -6.063 -4.176 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.842 -4.696 -3.934 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.659 -6.554 -5.193 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.621 -3.839 -4.689 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.440 -5.700 -5.948 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.420 -4.340 -5.696 1.00 0.00 C ATOM 0 H PHE A 81 10.571 -9.062 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 81 10.129 -6.688 -1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.691 -7.836 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.088 -6.469 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.220 -4.297 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.678 -7.615 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.604 -2.778 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.066 -6.094 -6.735 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.029 -3.671 -6.287 1.00 0.00 H new ATOM 1237 N PRO A 82 8.179 -7.545 -0.150 1.00 0.00 N ATOM 1238 CA PRO A 82 7.140 -8.097 0.731 1.00 0.00 C ATOM 1239 C PRO A 82 5.825 -8.375 -0.025 1.00 0.00 C ATOM 1240 O PRO A 82 5.014 -7.478 -0.255 1.00 0.00 O ATOM 1241 CB PRO A 82 6.958 -7.010 1.806 1.00 0.00 C ATOM 1242 CG PRO A 82 7.489 -5.758 1.192 1.00 0.00 C ATOM 1243 CD PRO A 82 8.584 -6.184 0.250 1.00 0.00 C ATOM 0 HA PRO A 82 7.423 -9.063 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.909 -6.900 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.501 -7.263 2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.703 -5.222 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.874 -5.082 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.657 -5.517 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.558 -6.182 0.739 1.00 0.00 H new ATOM 1251 N HIS A 83 5.633 -9.625 -0.433 1.00 0.00 N ATOM 1252 CA HIS A 83 4.457 -10.018 -1.213 1.00 0.00 C ATOM 1253 C HIS A 83 3.299 -10.485 -0.314 1.00 0.00 C ATOM 1254 O HIS A 83 3.329 -11.584 0.241 1.00 0.00 O ATOM 1255 CB HIS A 83 4.838 -11.120 -2.214 1.00 0.00 C ATOM 1256 CG HIS A 83 5.594 -10.612 -3.411 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.968 -10.489 -3.450 1.00 0.00 N ATOM 1258 CD2 HIS A 83 5.153 -10.193 -4.624 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.336 -10.023 -4.628 1.00 0.00 C ATOM 1260 NE2 HIS A 83 6.257 -9.837 -5.357 1.00 0.00 N ATOM 0 H HIS A 83 6.279 -10.390 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 83 4.109 -9.140 -1.756 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.443 -11.869 -1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.931 -11.620 -2.553 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.602 -10.723 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.125 -10.148 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.351 -9.827 -4.941 1.00 0.00 H new ATOM 1269 N LEU A 84 2.287 -9.632 -0.168 1.00 0.00 N ATOM 1270 CA LEU A 84 1.071 -9.985 0.573 1.00 0.00 C ATOM 1271 C LEU A 84 -0.040 -10.440 -0.389 1.00 0.00 C ATOM 1272 O LEU A 84 -0.432 -9.705 -1.292 1.00 0.00 O ATOM 1273 CB LEU A 84 0.587 -8.787 1.400 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.632 -9.050 2.301 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.300 -10.089 3.370 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.125 -7.749 2.938 1.00 0.00 C ATOM 0 H LEU A 84 2.282 -8.688 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 84 1.308 -10.810 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.411 -8.443 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.343 -7.972 0.718 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.435 -9.448 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.176 -10.260 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.009 -11.024 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.522 -9.726 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.987 -7.958 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.328 -7.315 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.411 -7.046 2.155 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.537 -11.653 -0.187 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.609 -12.217 -1.027 1.00 0.00 C ATOM 1290 C TYR A 85 -2.955 -12.241 -0.280 1.00 0.00 C ATOM 1291 O TYR A 85 -3.894 -12.933 -0.678 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.220 -13.636 -1.472 1.00 0.00 C ATOM 1293 CG TYR A 85 -0.541 -14.453 -0.381 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.830 -14.346 -0.173 1.00 0.00 C ATOM 1295 CD2 TYR A 85 -1.261 -15.321 0.437 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.465 -15.071 0.810 1.00 0.00 C ATOM 1297 CE2 TYR A 85 -0.628 -16.054 1.427 1.00 0.00 C ATOM 1298 CZ TYR A 85 0.734 -15.925 1.610 1.00 0.00 C ATOM 1299 OH TYR A 85 1.371 -16.652 2.594 1.00 0.00 O ATOM 0 H TYR A 85 -0.218 -12.277 0.555 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.730 -11.580 -1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.115 -14.162 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.553 -13.568 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.409 -13.680 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.327 -15.424 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.531 -14.972 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.198 -16.724 2.054 1.00 0.00 H new ATOM 0 HH TYR A 85 0.715 -17.204 3.069 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.038 -11.470 0.801 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.232 -11.435 1.657 1.00 0.00 C ATOM 1311 C ARG A 86 -4.940 -10.073 1.553 1.00 0.00 C ATOM 1312 O ARG A 86 -4.289 -9.034 1.667 1.00 0.00 O ATOM 1313 CB ARG A 86 -3.823 -11.703 3.116 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.011 -12.986 3.303 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.875 -14.242 3.190 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.694 -14.450 4.382 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.935 -14.859 4.374 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -6.564 -15.064 3.261 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -6.551 -15.056 5.491 1.00 0.00 N ATOM 0 H ARG A 86 -2.287 -10.853 1.111 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.926 -12.206 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.239 -10.858 3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.721 -11.759 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.219 -13.024 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.527 -12.968 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.521 -14.161 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.235 -15.110 3.034 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.265 -14.262 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.091 -14.906 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.533 -15.383 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.069 -14.892 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.520 -15.375 5.490 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.275 -10.055 1.331 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.047 -8.800 1.212 1.00 0.00 C ATOM 1335 C PRO A 87 -6.834 -7.856 2.408 1.00 0.00 C ATOM 1336 O PRO A 87 -7.183 -8.182 3.546 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.505 -9.284 1.147 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.409 -10.669 0.600 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.138 -11.243 1.169 1.00 0.00 C ATOM 0 HA PRO A 87 -6.741 -8.215 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.971 -9.277 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.109 -8.643 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.273 -11.266 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.381 -10.659 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.314 -11.746 2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.692 -11.977 0.498 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.261 -6.686 2.144 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.905 -5.743 3.206 1.00 0.00 C ATOM 1349 C LEU A 88 -7.146 -5.043 3.781 1.00 0.00 C ATOM 1350 O LEU A 88 -7.627 -4.050 3.233 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.905 -4.706 2.671 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.368 -3.702 3.708 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.626 -4.428 4.829 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.463 -2.665 3.036 1.00 0.00 C ATOM 0 H LEU A 88 -6.032 -6.365 1.203 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.442 -6.306 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.059 -5.236 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.383 -4.148 1.866 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.216 -3.178 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.255 -3.700 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.306 -5.119 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.787 -4.984 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.094 -1.965 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.620 -3.169 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.031 -2.122 2.280 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.674 -5.582 4.877 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.823 -4.979 5.563 1.00 0.00 C ATOM 1368 C LEU A 89 -8.497 -3.549 6.029 1.00 0.00 C ATOM 1369 O LEU A 89 -7.549 -3.333 6.784 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.240 -5.842 6.764 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.569 -7.311 6.443 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -9.991 -8.053 7.705 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.648 -7.406 5.365 1.00 0.00 C ATOM 0 H LEU A 89 -7.327 -6.436 5.313 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.651 -4.929 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.437 -5.821 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.113 -5.386 7.231 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.668 -7.786 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.220 -9.090 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.180 -8.024 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.876 -7.577 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.862 -8.454 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.555 -6.912 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.297 -6.919 4.455 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.295 -2.580 5.588 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.044 -1.165 5.893 1.00 0.00 C ATOM 1387 C VAL A 90 -9.089 -0.885 7.408 1.00 0.00 C ATOM 1388 O VAL A 90 -8.332 -0.060 7.921 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.052 -0.253 5.157 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.814 1.223 5.487 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -9.973 -0.497 3.651 1.00 0.00 C ATOM 0 H VAL A 90 -10.124 -2.744 5.017 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.038 -0.939 5.540 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.056 -0.503 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.540 1.837 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.927 1.379 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.806 1.506 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.686 0.149 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.965 -0.276 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.211 -1.539 3.438 1.00 0.00 H new ATOM 1401 N SER A 91 -9.953 -1.602 8.123 1.00 0.00 N ATOM 1402 CA SER A 91 -10.054 -1.468 9.588 1.00 0.00 C ATOM 1403 C SER A 91 -8.845 -2.102 10.311 1.00 0.00 C ATOM 1404 O SER A 91 -8.770 -2.089 11.541 1.00 0.00 O ATOM 1405 CB SER A 91 -11.356 -2.113 10.093 1.00 0.00 C ATOM 1406 OG SER A 91 -12.500 -1.522 9.489 1.00 0.00 O ATOM 0 H SER A 91 -10.596 -2.283 7.719 1.00 0.00 H new ATOM 0 HA SER A 91 -10.059 -0.402 9.816 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.341 -3.181 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.419 -2.007 11.176 1.00 0.00 H new ATOM 0 HG SER A 91 -13.310 -1.955 9.830 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.907 -2.657 9.541 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.708 -3.299 10.098 1.00 0.00 C ATOM 1414 C GLU A 92 -5.420 -2.588 9.626 1.00 0.00 C ATOM 1415 O GLU A 92 -4.313 -2.956 10.023 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.691 -4.783 9.685 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.619 -5.627 10.371 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.781 -5.674 11.884 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -6.680 -6.394 12.372 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.011 -4.995 12.593 1.00 0.00 O ATOM 0 H GLU A 92 -7.953 -2.676 8.522 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.741 -3.223 11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.668 -5.217 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.546 -4.844 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.654 -6.642 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.636 -5.224 10.128 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.570 -1.552 8.796 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.418 -0.807 8.260 1.00 0.00 C ATOM 1429 C VAL A 93 -3.787 0.104 9.329 1.00 0.00 C ATOM 1430 O VAL A 93 -4.496 0.741 10.110 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.825 0.054 7.031 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.634 0.846 6.485 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.432 -0.825 5.939 1.00 0.00 C ATOM 0 H VAL A 93 -6.476 -1.207 8.478 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.682 -1.549 7.949 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.577 0.771 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.953 1.437 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.252 1.510 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.848 0.156 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.711 -0.206 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.701 -1.569 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.318 -1.328 6.327 1.00 0.00 H new ATOM 1443 N THR A 94 -2.453 0.161 9.359 1.00 0.00 N ATOM 1444 CA THR A 94 -1.733 0.999 10.330 1.00 0.00 C ATOM 1445 C THR A 94 -1.917 2.498 10.037 1.00 0.00 C ATOM 1446 O THR A 94 -2.413 3.240 10.882 1.00 0.00 O ATOM 1447 CB THR A 94 -0.214 0.675 10.355 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.006 -0.731 10.577 1.00 0.00 O ATOM 1449 CG2 THR A 94 0.507 1.471 11.441 1.00 0.00 C ATOM 0 H THR A 94 -1.848 -0.361 8.725 1.00 0.00 H new ATOM 0 HA THR A 94 -2.164 0.770 11.305 1.00 0.00 H new ATOM 0 HB THR A 94 0.198 0.957 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.643 -0.855 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.568 1.221 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.384 2.538 11.253 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.084 1.223 12.415 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.509 2.945 8.843 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.594 4.374 8.480 1.00 0.00 C ATOM 1459 C ARG A 95 -1.867 4.599 6.983 1.00 0.00 C ATOM 1460 O ARG A 95 -1.493 3.789 6.135 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.301 5.107 8.890 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.188 5.384 10.393 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.842 6.709 10.804 1.00 0.00 C ATOM 1464 NE ARG A 95 -2.122 6.968 10.137 1.00 0.00 N ATOM 1465 CZ ARG A 95 -3.275 6.482 10.517 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -3.360 5.669 11.514 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -4.345 6.827 9.884 1.00 0.00 N ATOM 0 H ARG A 95 -1.119 2.347 8.114 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.444 4.783 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.556 4.512 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.246 6.053 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.654 4.568 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.864 5.400 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.999 6.707 11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.156 7.526 10.583 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.112 7.572 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.519 5.394 12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.268 5.300 11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.286 7.472 9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.250 6.454 10.171 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.529 5.720 6.683 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.795 6.153 5.302 1.00 0.00 C ATOM 1483 C GLU A 96 -2.372 7.626 5.123 1.00 0.00 C ATOM 1484 O GLU A 96 -3.119 8.547 5.456 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.287 5.972 4.962 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.236 6.619 5.973 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.691 6.596 5.526 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.090 7.481 4.739 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.440 5.696 5.960 1.00 0.00 O ATOM 0 H GLU A 96 -2.898 6.356 7.390 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.212 5.536 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.479 6.395 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.509 4.907 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.147 6.101 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.930 7.652 6.140 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.162 7.847 4.619 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.577 9.196 4.568 1.00 0.00 C ATOM 1498 C ALA A 97 -0.725 9.870 3.192 1.00 0.00 C ATOM 1499 O ALA A 97 -0.435 9.270 2.157 1.00 0.00 O ATOM 1500 CB ALA A 97 0.897 9.128 4.956 1.00 0.00 C ATOM 0 H ALA A 97 -0.563 7.115 4.239 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.131 9.810 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.330 10.128 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.989 8.731 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.427 8.477 4.261 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.179 11.124 3.194 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.190 11.955 1.984 1.00 0.00 C ATOM 1508 C ASP A 98 0.236 12.423 1.632 1.00 0.00 C ATOM 1509 O ASP A 98 1.079 12.594 2.516 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.112 13.165 2.193 1.00 0.00 C ATOM 1511 CG ASP A 98 -2.129 14.108 1.001 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.881 13.847 0.041 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.396 15.119 1.018 1.00 0.00 O ATOM 0 H ASP A 98 -1.546 11.591 4.023 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.567 11.359 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.126 12.814 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.790 13.713 3.079 1.00 0.00 H new ATOM 1518 N LEU A 99 0.504 12.624 0.343 1.00 0.00 N ATOM 1519 CA LEU A 99 1.841 13.032 -0.107 1.00 0.00 C ATOM 1520 C LEU A 99 1.787 13.869 -1.398 1.00 0.00 C ATOM 1521 O LEU A 99 0.921 13.664 -2.256 1.00 0.00 O ATOM 1522 CB LEU A 99 2.749 11.799 -0.308 1.00 0.00 C ATOM 1523 CG LEU A 99 2.315 10.797 -1.403 1.00 0.00 C ATOM 1524 CD1 LEU A 99 3.401 9.749 -1.631 1.00 0.00 C ATOM 1525 CD2 LEU A 99 0.995 10.112 -1.047 1.00 0.00 C ATOM 0 H LEU A 99 -0.179 12.513 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 99 2.264 13.662 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.754 12.149 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.813 11.264 0.639 1.00 0.00 H new ATOM 0 HG LEU A 99 2.165 11.362 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.078 9.053 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.321 10.241 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.581 9.204 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.721 9.415 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.108 9.569 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.213 10.863 -0.939 1.00 0.00 H new ATOM 1537 N ASP A 100 2.713 14.822 -1.513 1.00 0.00 N ATOM 1538 CA ASP A 100 2.845 15.670 -2.705 1.00 0.00 C ATOM 1539 C ASP A 100 4.296 15.651 -3.234 1.00 0.00 C ATOM 1540 O ASP A 100 5.067 14.751 -2.904 1.00 0.00 O ATOM 1541 CB ASP A 100 2.397 17.102 -2.377 1.00 0.00 C ATOM 1542 CG ASP A 100 3.116 17.673 -1.168 1.00 0.00 C ATOM 1543 OD1 ASP A 100 2.763 17.298 -0.033 1.00 0.00 O ATOM 1544 OD2 ASP A 100 4.039 18.495 -1.351 1.00 0.00 O ATOM 0 H ASP A 100 3.395 15.030 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 100 2.202 15.275 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.579 17.743 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.322 17.110 -2.194 1.00 0.00 H new ATOM 1549 N LEU A 101 4.665 16.638 -4.056 1.00 0.00 N ATOM 1550 CA LEU A 101 5.982 16.643 -4.718 1.00 0.00 C ATOM 1551 C LEU A 101 6.858 17.835 -4.301 1.00 0.00 C ATOM 1552 O LEU A 101 6.393 18.974 -4.245 1.00 0.00 O ATOM 1553 CB LEU A 101 5.789 16.666 -6.237 1.00 0.00 C ATOM 1554 CG LEU A 101 5.069 15.444 -6.818 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.885 15.593 -8.325 1.00 0.00 C ATOM 1556 CD2 LEU A 101 5.834 14.167 -6.476 1.00 0.00 C ATOM 0 H LEU A 101 4.078 17.441 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 101 6.500 15.736 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.226 17.561 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.767 16.752 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 101 4.078 15.375 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.372 14.715 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.291 16.483 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.860 15.687 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.312 13.307 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.838 14.221 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.899 14.060 -5.393 1.00 0.00 H new ATOM 1568 N ASP A 102 8.134 17.563 -4.031 1.00 0.00 N ATOM 1569 CA ASP A 102 9.100 18.612 -3.687 1.00 0.00 C ATOM 1570 C ASP A 102 10.499 18.312 -4.269 1.00 0.00 C ATOM 1571 O ASP A 102 10.682 17.341 -5.010 1.00 0.00 O ATOM 1572 CB ASP A 102 9.175 18.760 -2.163 1.00 0.00 C ATOM 1573 CG ASP A 102 9.383 17.426 -1.467 1.00 0.00 C ATOM 1574 OD1 ASP A 102 10.387 16.751 -1.760 1.00 0.00 O ATOM 1575 OD2 ASP A 102 8.538 17.048 -0.627 1.00 0.00 O ATOM 0 H ASP A 102 8.527 16.622 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 102 8.759 19.549 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.992 19.434 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.256 19.219 -1.798 1.00 0.00 H new ATOM 1580 N ALA A 103 11.472 19.166 -3.931 1.00 0.00 N ATOM 1581 CA ALA A 103 12.876 19.000 -4.352 1.00 0.00 C ATOM 1582 C ALA A 103 13.045 19.018 -5.885 1.00 0.00 C ATOM 1583 O ALA A 103 13.463 20.023 -6.465 1.00 0.00 O ATOM 1584 CB ALA A 103 13.473 17.721 -3.756 1.00 0.00 C ATOM 0 H ALA A 103 11.312 19.994 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 103 13.423 19.860 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 103 14.509 17.618 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.436 17.775 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.899 16.859 -4.096 1.00 0.00 H new ATOM 1590 N ASP A 104 12.724 17.900 -6.529 1.00 0.00 N ATOM 1591 CA ASP A 104 12.853 17.759 -7.988 1.00 0.00 C ATOM 1592 C ASP A 104 11.640 17.000 -8.559 1.00 0.00 C ATOM 1593 O ASP A 104 11.658 16.510 -9.686 1.00 0.00 O ATOM 1594 CB ASP A 104 14.166 17.020 -8.312 1.00 0.00 C ATOM 1595 CG ASP A 104 14.482 16.975 -9.801 1.00 0.00 C ATOM 1596 OD1 ASP A 104 14.728 18.048 -10.394 1.00 0.00 O ATOM 1597 OD2 ASP A 104 14.489 15.869 -10.386 1.00 0.00 O ATOM 0 H ASP A 104 12.368 17.066 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 104 12.879 18.746 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.988 17.508 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 104 14.105 16.001 -7.930 1.00 0.00 H new ATOM 1602 N GLY A 105 10.569 16.943 -7.773 1.00 0.00 N ATOM 1603 CA GLY A 105 9.405 16.137 -8.131 1.00 0.00 C ATOM 1604 C GLY A 105 9.382 14.802 -7.392 1.00 0.00 C ATOM 1605 O GLY A 105 8.917 13.792 -7.918 1.00 0.00 O ATOM 0 H GLY A 105 10.482 17.443 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.496 16.693 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.407 15.956 -9.206 1.00 0.00 H new ATOM 1609 N VAL A 106 9.900 14.800 -6.167 1.00 0.00 N ATOM 1610 CA VAL A 106 9.945 13.598 -5.334 1.00 0.00 C ATOM 1611 C VAL A 106 9.104 13.786 -4.068 1.00 0.00 C ATOM 1612 O VAL A 106 9.206 14.812 -3.403 1.00 0.00 O ATOM 1613 CB VAL A 106 11.406 13.263 -4.924 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.459 12.088 -3.941 1.00 0.00 C ATOM 1615 CG2 VAL A 106 12.259 12.978 -6.158 1.00 0.00 C ATOM 0 H VAL A 106 10.299 15.627 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 106 9.538 12.775 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 106 11.816 14.135 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.496 11.882 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.898 12.341 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.021 11.205 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 106 13.278 12.746 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.842 12.130 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.267 13.855 -6.805 1.00 0.00 H new ATOM 1625 N PRO A 107 8.244 12.815 -3.724 1.00 0.00 N ATOM 1626 CA PRO A 107 7.536 12.828 -2.443 1.00 0.00 C ATOM 1627 C PRO A 107 8.443 12.340 -1.303 1.00 0.00 C ATOM 1628 O PRO A 107 8.352 11.185 -0.867 1.00 0.00 O ATOM 1629 CB PRO A 107 6.372 11.860 -2.684 1.00 0.00 C ATOM 1630 CG PRO A 107 6.898 10.885 -3.690 1.00 0.00 C ATOM 1631 CD PRO A 107 7.884 11.643 -4.549 1.00 0.00 C ATOM 0 HA PRO A 107 7.209 13.823 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.075 11.359 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.492 12.383 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.382 10.042 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.088 10.478 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.758 11.036 -4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.439 11.943 -5.498 1.00 0.00 H new ATOM 1639 N GLN A 108 9.349 13.208 -0.843 1.00 0.00 N ATOM 1640 CA GLN A 108 10.346 12.800 0.152 1.00 0.00 C ATOM 1641 C GLN A 108 9.702 12.546 1.528 1.00 0.00 C ATOM 1642 O GLN A 108 9.684 13.393 2.421 1.00 0.00 O ATOM 1643 CB GLN A 108 11.517 13.800 0.219 1.00 0.00 C ATOM 1644 CG GLN A 108 11.204 15.164 0.830 1.00 0.00 C ATOM 1645 CD GLN A 108 12.312 16.179 0.576 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.640 16.991 1.433 1.00 0.00 O ATOM 1647 NE2 GLN A 108 12.843 16.199 -0.633 1.00 0.00 N ATOM 0 H GLN A 108 9.413 14.182 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 108 10.768 11.848 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 108 12.324 13.345 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.893 13.956 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.268 15.539 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.055 15.053 1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.553 15.512 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.543 16.902 -0.871 1.00 0.00 H new ATOM 1656 N LEU A 109 9.178 11.333 1.670 1.00 0.00 N ATOM 1657 CA LEU A 109 8.487 10.874 2.880 1.00 0.00 C ATOM 1658 C LEU A 109 9.410 10.788 4.111 1.00 0.00 C ATOM 1659 O LEU A 109 9.005 10.275 5.151 1.00 0.00 O ATOM 1660 CB LEU A 109 7.791 9.520 2.612 1.00 0.00 C ATOM 1661 CG LEU A 109 8.576 8.509 1.755 1.00 0.00 C ATOM 1662 CD1 LEU A 109 9.907 8.165 2.404 1.00 0.00 C ATOM 1663 CD2 LEU A 109 7.750 7.247 1.513 1.00 0.00 C ATOM 0 H LEU A 109 9.220 10.625 0.937 1.00 0.00 H new ATOM 0 HA LEU A 109 7.735 11.625 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.567 9.054 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.837 9.716 2.122 1.00 0.00 H new ATOM 0 HG LEU A 109 8.781 8.972 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.442 7.450 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.504 9.071 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.730 7.728 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.324 6.547 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.506 6.783 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.829 7.509 0.992 1.00 0.00 H new ATOM 1675 N GLY A 110 10.655 11.252 3.977 1.00 0.00 N ATOM 1676 CA GLY A 110 11.593 11.254 5.099 1.00 0.00 C ATOM 1677 C GLY A 110 11.006 11.833 6.389 1.00 0.00 C ATOM 1678 O GLY A 110 11.443 11.481 7.485 1.00 0.00 O ATOM 0 H GLY A 110 11.034 11.629 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.924 10.232 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.476 11.829 4.822 1.00 0.00 H new ATOM 1682 N ASP A 111 10.009 12.713 6.261 1.00 0.00 N ATOM 1683 CA ASP A 111 9.299 13.259 7.430 1.00 0.00 C ATOM 1684 C ASP A 111 8.541 12.144 8.175 1.00 0.00 C ATOM 1685 O ASP A 111 8.455 12.132 9.401 1.00 0.00 O ATOM 1686 CB ASP A 111 8.300 14.340 6.995 1.00 0.00 C ATOM 1687 CG ASP A 111 8.867 15.263 5.935 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.826 16.000 6.229 1.00 0.00 O ATOM 1689 OD2 ASP A 111 8.363 15.237 4.794 1.00 0.00 O ATOM 0 H ASP A 111 9.673 13.064 5.364 1.00 0.00 H new ATOM 0 HA ASP A 111 10.041 13.697 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 111 7.398 13.863 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.005 14.928 7.864 1.00 0.00 H new ATOM 1694 N HIS A 112 8.002 11.209 7.399 1.00 0.00 N ATOM 1695 CA HIS A 112 7.205 10.091 7.916 1.00 0.00 C ATOM 1696 C HIS A 112 8.078 8.994 8.548 1.00 0.00 C ATOM 1697 O HIS A 112 7.609 8.222 9.384 1.00 0.00 O ATOM 1698 CB HIS A 112 6.385 9.493 6.764 1.00 0.00 C ATOM 1699 CG HIS A 112 5.395 10.457 6.179 1.00 0.00 C ATOM 1700 ND1 HIS A 112 4.151 10.688 6.719 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.486 11.270 5.101 1.00 0.00 C ATOM 1702 CE1 HIS A 112 3.520 11.596 6.004 1.00 0.00 C ATOM 1703 NE2 HIS A 112 4.309 11.972 5.016 1.00 0.00 N ATOM 0 H HIS A 112 8.104 11.202 6.384 1.00 0.00 H new ATOM 0 HA HIS A 112 6.552 10.477 8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.064 9.159 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.855 8.611 7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.329 11.352 4.431 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.525 11.970 6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.082 12.669 4.306 1.00 0.00 H new ATOM 1712 N LEU A 113 9.341 8.925 8.135 1.00 0.00 N ATOM 1713 CA LEU A 113 10.238 7.845 8.566 1.00 0.00 C ATOM 1714 C LEU A 113 11.266 8.336 9.602 1.00 0.00 C ATOM 1715 O LEU A 113 11.528 9.535 9.715 1.00 0.00 O ATOM 1716 CB LEU A 113 10.976 7.257 7.352 1.00 0.00 C ATOM 1717 CG LEU A 113 10.107 6.954 6.115 1.00 0.00 C ATOM 1718 CD1 LEU A 113 10.912 6.208 5.053 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.854 6.170 6.496 1.00 0.00 C ATOM 0 H LEU A 113 9.770 9.601 7.503 1.00 0.00 H new ATOM 0 HA LEU A 113 9.624 7.076 9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.762 7.952 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.466 6.334 7.662 1.00 0.00 H new ATOM 0 HG LEU A 113 9.788 7.907 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.277 6.006 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.760 6.819 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.274 5.266 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.263 5.972 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.142 5.225 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.261 6.752 7.202 1.00 0.00 H new ATOM 1731 N ALA A 114 11.855 7.401 10.346 1.00 0.00 N ATOM 1732 CA ALA A 114 12.885 7.739 11.339 1.00 0.00 C ATOM 1733 C ALA A 114 14.299 7.668 10.730 1.00 0.00 C ATOM 1734 O ALA A 114 14.846 8.686 10.302 1.00 0.00 O ATOM 1735 CB ALA A 114 12.769 6.821 12.554 1.00 0.00 C ATOM 0 H ALA A 114 11.641 6.406 10.284 1.00 0.00 H new ATOM 0 HA ALA A 114 12.720 8.767 11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.537 7.082 13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.785 6.940 13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.902 5.785 12.241 1.00 0.00 H new ATOM 1741 N LEU A 115 14.871 6.455 10.678 1.00 0.00 N ATOM 1742 CA LEU A 115 16.221 6.224 10.123 1.00 0.00 C ATOM 1743 C LEU A 115 17.313 7.040 10.848 1.00 0.00 C ATOM 1744 O LEU A 115 17.024 7.878 11.703 1.00 0.00 O ATOM 1745 CB LEU A 115 16.256 6.518 8.607 1.00 0.00 C ATOM 1746 CG LEU A 115 15.559 5.484 7.697 1.00 0.00 C ATOM 1747 CD1 LEU A 115 16.145 4.091 7.906 1.00 0.00 C ATOM 1748 CD2 LEU A 115 14.049 5.472 7.926 1.00 0.00 C ATOM 0 H LEU A 115 14.416 5.607 11.017 1.00 0.00 H new ATOM 0 HA LEU A 115 16.442 5.169 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.795 7.491 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 115 17.298 6.600 8.298 1.00 0.00 H new ATOM 0 HG LEU A 115 15.739 5.780 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 115 15.637 3.381 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 115 17.209 4.105 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.008 3.791 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.587 4.734 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.841 5.216 8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.640 6.458 7.707 1.00 0.00 H new ATOM 1760 N GLU A 116 18.578 6.774 10.509 1.00 0.00 N ATOM 1761 CA GLU A 116 19.707 7.512 11.096 1.00 0.00 C ATOM 1762 C GLU A 116 21.014 7.347 10.285 1.00 0.00 C ATOM 1763 O GLU A 116 21.462 8.287 9.625 1.00 0.00 O ATOM 1764 CB GLU A 116 19.937 7.088 12.561 1.00 0.00 C ATOM 1765 CG GLU A 116 20.000 5.577 12.780 1.00 0.00 C ATOM 1766 CD GLU A 116 20.827 5.194 13.997 1.00 0.00 C ATOM 1767 OE1 GLU A 116 20.347 5.374 15.133 1.00 0.00 O ATOM 1768 OE2 GLU A 116 21.967 4.710 13.814 1.00 0.00 O ATOM 0 H GLU A 116 18.848 6.058 9.835 1.00 0.00 H new ATOM 0 HA GLU A 116 19.436 8.567 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 116 20.868 7.533 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 116 19.135 7.498 13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.988 5.189 12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 116 20.423 5.103 11.894 1.00 0.00 H new TER 1775 GLU A 116