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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.444 (180deg=-2.88!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= -0.494! (180deg=-2.38!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.016 USER MOD Single : A 17 LYS NZ :NH3+ -113:sc= 0.047 (180deg=-0.503!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc=-0.000747 K(o=-0.00075,f=-3.7!) USER MOD Single : A 37 SER OG : rot -14:sc= 0.883 USER MOD Single : A 41 GLN : amide:sc= -0.658 K(o=-0.66,f=0.75) USER MOD Single : A 43 GLN : amide:sc= 0.855 K(o=0.85,f=-9.2!) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.766 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 1.26 (180deg=-0.254) USER MOD Single : A 53 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.98) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.122 (180deg=-0.529) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 83 HIS : no HE2:sc= 0.46 K(o=1.1,f=-4.5!) USER MOD Single : A 85 TYR OH : rot 55:sc= 0.406 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= 0.316 USER MOD Single : A 108 GLN : amide:sc= -0.767 K(o=-0.77,f=-8.1!) USER MOD Single : A 112 HIS : no HD1:sc= 0.5 K(o=0.5,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.902 -9.393 12.021 1.00 0.00 N ATOM 2 CA MET A 1 8.260 -8.888 11.680 1.00 0.00 C ATOM 3 C MET A 1 8.183 -7.747 10.659 1.00 0.00 C ATOM 4 O MET A 1 7.249 -7.693 9.867 1.00 0.00 O ATOM 5 CB MET A 1 9.124 -10.025 11.114 1.00 0.00 C ATOM 6 CG MET A 1 9.400 -11.151 12.103 1.00 0.00 C ATOM 7 SD MET A 1 10.425 -12.454 11.390 1.00 0.00 S ATOM 8 CE MET A 1 10.569 -13.576 12.782 1.00 0.00 C ATOM 0 H1 MET A 1 6.778 -9.385 13.054 1.00 0.00 H new ATOM 0 H2 MET A 1 6.184 -8.783 11.581 1.00 0.00 H new ATOM 0 H3 MET A 1 6.794 -10.365 11.667 1.00 0.00 H new ATOM 0 HA MET A 1 8.714 -8.507 12.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.629 -10.441 10.236 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.074 -9.611 10.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.895 -10.744 12.985 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.454 -11.578 12.437 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.177 -14.435 12.496 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.041 -13.060 13.618 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.577 -13.916 13.079 1.00 0.00 H new ATOM 20 N THR A 2 9.173 -6.848 10.701 1.00 0.00 N ATOM 21 CA THR A 2 9.315 -5.716 9.748 1.00 0.00 C ATOM 22 C THR A 2 8.023 -4.886 9.541 1.00 0.00 C ATOM 23 O THR A 2 6.991 -5.102 10.194 1.00 0.00 O ATOM 24 CB THR A 2 9.872 -6.176 8.362 1.00 0.00 C ATOM 25 OG1 THR A 2 10.264 -5.032 7.584 1.00 0.00 O ATOM 26 CG2 THR A 2 8.851 -6.987 7.562 1.00 0.00 C ATOM 0 H THR A 2 9.913 -6.877 11.403 1.00 0.00 H new ATOM 0 HA THR A 2 10.040 -5.058 10.228 1.00 0.00 H new ATOM 0 HB THR A 2 10.731 -6.816 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.613 -5.329 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.288 -7.282 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.573 -7.878 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.964 -6.380 7.383 1.00 0.00 H new ATOM 34 N LEU A 3 8.115 -3.894 8.654 1.00 0.00 N ATOM 35 CA LEU A 3 6.986 -3.016 8.315 1.00 0.00 C ATOM 36 C LEU A 3 6.745 -3.015 6.800 1.00 0.00 C ATOM 37 O LEU A 3 7.691 -3.088 6.014 1.00 0.00 O ATOM 38 CB LEU A 3 7.269 -1.577 8.782 1.00 0.00 C ATOM 39 CG LEU A 3 7.671 -1.419 10.258 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.983 0.039 10.580 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.581 -1.947 11.184 1.00 0.00 C ATOM 0 H LEU A 3 8.973 -3.674 8.148 1.00 0.00 H new ATOM 0 HA LEU A 3 6.098 -3.394 8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.065 -1.164 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.379 -0.975 8.601 1.00 0.00 H new ATOM 0 HG LEU A 3 8.572 -2.010 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.265 0.128 11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.806 0.382 9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.101 0.651 10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.893 -1.822 12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.658 -1.392 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.412 -3.004 10.981 1.00 0.00 H new ATOM 53 N ILE A 4 5.486 -2.924 6.387 1.00 0.00 N ATOM 54 CA ILE A 4 5.152 -2.876 4.959 1.00 0.00 C ATOM 55 C ILE A 4 4.441 -1.570 4.587 1.00 0.00 C ATOM 56 O ILE A 4 3.600 -1.065 5.336 1.00 0.00 O ATOM 57 CB ILE A 4 4.287 -4.087 4.528 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.041 -4.226 5.422 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.122 -5.364 4.559 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.167 -5.412 5.066 1.00 0.00 C ATOM 0 H ILE A 4 4.681 -2.882 7.012 1.00 0.00 H new ATOM 0 HA ILE A 4 6.098 -2.921 4.420 1.00 0.00 H new ATOM 0 HB ILE A 4 3.943 -3.918 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.358 -4.318 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.448 -3.314 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.505 -6.210 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.965 -5.264 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.493 -5.531 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.309 -5.446 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.820 -5.312 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.743 -6.332 5.167 1.00 0.00 H new ATOM 72 N TYR A 5 4.798 -1.024 3.427 1.00 0.00 N ATOM 73 CA TYR A 5 4.253 0.253 2.960 1.00 0.00 C ATOM 74 C TYR A 5 3.623 0.096 1.567 1.00 0.00 C ATOM 75 O TYR A 5 4.081 -0.712 0.759 1.00 0.00 O ATOM 76 CB TYR A 5 5.371 1.312 2.895 1.00 0.00 C ATOM 77 CG TYR A 5 6.237 1.401 4.145 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.293 0.516 4.345 1.00 0.00 C ATOM 79 CD2 TYR A 5 6.008 2.373 5.115 1.00 0.00 C ATOM 80 CE1 TYR A 5 8.090 0.594 5.471 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.804 2.455 6.246 1.00 0.00 C ATOM 82 CZ TYR A 5 7.842 1.563 6.418 1.00 0.00 C ATOM 83 OH TYR A 5 8.646 1.646 7.537 1.00 0.00 O ATOM 0 H TYR A 5 5.468 -1.449 2.786 1.00 0.00 H new ATOM 0 HA TYR A 5 3.485 0.574 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.011 1.092 2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.919 2.287 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.493 -0.246 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.197 3.074 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.904 -0.102 5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.613 3.214 6.990 1.00 0.00 H new ATOM 0 HH TYR A 5 8.340 2.383 8.106 1.00 0.00 H new ATOM 93 N LYS A 6 2.572 0.859 1.282 1.00 0.00 N ATOM 94 CA LYS A 6 1.981 0.871 -0.064 1.00 0.00 C ATOM 95 C LYS A 6 1.487 2.270 -0.457 1.00 0.00 C ATOM 96 O LYS A 6 0.614 2.838 0.198 1.00 0.00 O ATOM 97 CB LYS A 6 0.819 -0.131 -0.168 1.00 0.00 C ATOM 98 CG LYS A 6 0.193 -0.180 -1.564 1.00 0.00 C ATOM 99 CD LYS A 6 -0.949 -1.190 -1.665 1.00 0.00 C ATOM 100 CE LYS A 6 -1.524 -1.227 -3.079 1.00 0.00 C ATOM 101 NZ LYS A 6 -2.629 -2.212 -3.226 1.00 0.00 N ATOM 0 H LYS A 6 2.111 1.473 1.953 1.00 0.00 H new ATOM 0 HA LYS A 6 2.770 0.577 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.179 -1.125 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.052 0.135 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.180 0.810 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.962 -0.434 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.588 -2.181 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.734 -0.928 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.890 -0.235 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.729 -1.472 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.623 -2.599 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.499 -2.985 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.539 -1.742 -3.048 1.00 0.00 H new ATOM 115 N ILE A 7 2.046 2.815 -1.535 1.00 0.00 N ATOM 116 CA ILE A 7 1.600 4.104 -2.072 1.00 0.00 C ATOM 117 C ILE A 7 0.519 3.905 -3.150 1.00 0.00 C ATOM 118 O ILE A 7 0.713 3.159 -4.110 1.00 0.00 O ATOM 119 CB ILE A 7 2.784 4.906 -2.674 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.878 5.133 -1.615 1.00 0.00 C ATOM 121 CG2 ILE A 7 2.298 6.242 -3.240 1.00 0.00 C ATOM 122 CD1 ILE A 7 5.084 5.898 -2.126 1.00 0.00 C ATOM 0 H ILE A 7 2.810 2.385 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 7 1.180 4.670 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 7 3.212 4.324 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.447 5.675 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.208 4.166 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.143 6.789 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.562 6.059 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.842 6.830 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.808 6.016 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.542 5.348 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.769 6.880 -2.478 1.00 0.00 H new ATOM 134 N LEU A 8 -0.617 4.574 -2.984 1.00 0.00 N ATOM 135 CA LEU A 8 -1.718 4.489 -3.954 1.00 0.00 C ATOM 136 C LEU A 8 -2.423 5.842 -4.104 1.00 0.00 C ATOM 137 O LEU A 8 -2.199 6.758 -3.312 1.00 0.00 O ATOM 138 CB LEU A 8 -2.738 3.404 -3.547 1.00 0.00 C ATOM 139 CG LEU A 8 -3.562 3.677 -2.271 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.694 2.661 -2.143 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.681 3.641 -1.021 1.00 0.00 C ATOM 0 H LEU A 8 -0.806 5.183 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.285 4.212 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.431 3.259 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.201 2.465 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.987 4.677 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.266 2.866 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.349 2.735 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.276 1.656 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.292 3.837 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.218 2.658 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.905 4.402 -1.101 1.00 0.00 H new ATOM 153 N SER A 9 -3.274 5.969 -5.119 1.00 0.00 N ATOM 154 CA SER A 9 -4.008 7.219 -5.357 1.00 0.00 C ATOM 155 C SER A 9 -5.090 7.448 -4.298 1.00 0.00 C ATOM 156 O SER A 9 -5.722 6.501 -3.820 1.00 0.00 O ATOM 157 CB SER A 9 -4.655 7.217 -6.746 1.00 0.00 C ATOM 158 OG SER A 9 -5.509 8.341 -6.916 1.00 0.00 O ATOM 0 H SER A 9 -3.475 5.228 -5.790 1.00 0.00 H new ATOM 0 HA SER A 9 -3.282 8.030 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.879 7.227 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.226 6.299 -6.883 1.00 0.00 H new ATOM 0 HG SER A 9 -5.908 8.317 -7.811 1.00 0.00 H new ATOM 164 N ARG A 10 -5.314 8.713 -3.944 1.00 0.00 N ATOM 165 CA ARG A 10 -6.351 9.074 -2.976 1.00 0.00 C ATOM 166 C ARG A 10 -7.728 8.561 -3.428 1.00 0.00 C ATOM 167 O ARG A 10 -8.576 8.222 -2.602 1.00 0.00 O ATOM 168 CB ARG A 10 -6.384 10.597 -2.786 1.00 0.00 C ATOM 169 CG ARG A 10 -7.406 11.088 -1.766 1.00 0.00 C ATOM 170 CD ARG A 10 -7.168 10.495 -0.382 1.00 0.00 C ATOM 171 NE ARG A 10 -8.106 11.029 0.605 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.054 10.332 1.178 1.00 0.00 C ATOM 173 NH1 ARG A 10 -9.252 9.094 0.856 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.825 10.885 2.057 1.00 0.00 N ATOM 0 H ARG A 10 -4.791 9.507 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.112 8.602 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.394 10.933 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.596 11.065 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.363 12.175 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.409 10.827 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.268 9.411 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.147 10.708 -0.066 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.015 12.011 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.666 8.651 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.994 8.561 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.695 11.866 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.563 10.340 2.503 1.00 0.00 H new ATOM 188 N ALA A 11 -7.930 8.496 -4.746 1.00 0.00 N ATOM 189 CA ALA A 11 -9.172 7.965 -5.320 1.00 0.00 C ATOM 190 C ALA A 11 -9.326 6.462 -5.029 1.00 0.00 C ATOM 191 O ALA A 11 -10.388 6.008 -4.599 1.00 0.00 O ATOM 192 CB ALA A 11 -9.213 8.225 -6.824 1.00 0.00 C ATOM 0 H ALA A 11 -7.248 8.805 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.008 8.482 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.139 7.826 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.166 9.298 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.363 7.737 -7.301 1.00 0.00 H new ATOM 198 N GLU A 12 -8.254 5.698 -5.260 1.00 0.00 N ATOM 199 CA GLU A 12 -8.252 4.254 -4.979 1.00 0.00 C ATOM 200 C GLU A 12 -8.519 3.985 -3.489 1.00 0.00 C ATOM 201 O GLU A 12 -9.278 3.082 -3.128 1.00 0.00 O ATOM 202 CB GLU A 12 -6.902 3.629 -5.383 1.00 0.00 C ATOM 203 CG GLU A 12 -6.506 3.874 -6.837 1.00 0.00 C ATOM 204 CD GLU A 12 -5.191 3.198 -7.216 1.00 0.00 C ATOM 205 OE1 GLU A 12 -4.127 3.626 -6.718 1.00 0.00 O ATOM 206 OE2 GLU A 12 -5.217 2.230 -8.008 1.00 0.00 O ATOM 0 H GLU A 12 -7.376 6.052 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.049 3.798 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.122 4.027 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.945 2.554 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.298 3.509 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.420 4.947 -7.009 1.00 0.00 H new ATOM 213 N TRP A 13 -7.889 4.787 -2.633 1.00 0.00 N ATOM 214 CA TRP A 13 -8.042 4.666 -1.181 1.00 0.00 C ATOM 215 C TRP A 13 -9.447 5.105 -0.720 1.00 0.00 C ATOM 216 O TRP A 13 -10.022 4.519 0.200 1.00 0.00 O ATOM 217 CB TRP A 13 -6.950 5.495 -0.488 1.00 0.00 C ATOM 218 CG TRP A 13 -6.966 5.412 1.011 1.00 0.00 C ATOM 219 CD1 TRP A 13 -6.911 6.461 1.881 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.043 4.224 1.815 1.00 0.00 C ATOM 221 NE1 TRP A 13 -6.936 6.004 3.173 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.020 4.637 3.160 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.126 2.855 1.533 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.079 3.734 4.217 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.186 1.959 2.586 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.163 2.403 3.912 1.00 0.00 C ATOM 0 H TRP A 13 -7.260 5.536 -2.923 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.932 3.618 -0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.976 5.163 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.061 6.538 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.856 7.501 1.594 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.898 6.587 4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.143 2.504 0.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.059 4.072 5.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.252 0.901 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.213 1.680 4.712 1.00 0.00 H new ATOM 237 N ASP A 14 -9.995 6.133 -1.370 1.00 0.00 N ATOM 238 CA ASP A 14 -11.367 6.587 -1.098 1.00 0.00 C ATOM 239 C ASP A 14 -12.369 5.462 -1.378 1.00 0.00 C ATOM 240 O ASP A 14 -13.209 5.120 -0.540 1.00 0.00 O ATOM 241 CB ASP A 14 -11.702 7.793 -1.982 1.00 0.00 C ATOM 242 CG ASP A 14 -13.058 8.394 -1.654 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.176 9.070 -0.614 1.00 0.00 O ATOM 244 OD2 ASP A 14 -14.015 8.182 -2.426 1.00 0.00 O ATOM 0 H ASP A 14 -9.512 6.670 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.434 6.871 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.931 8.554 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.686 7.488 -3.028 1.00 0.00 H new ATOM 249 N ALA A 15 -12.257 4.900 -2.576 1.00 0.00 N ATOM 250 CA ALA A 15 -13.091 3.783 -3.009 1.00 0.00 C ATOM 251 C ALA A 15 -12.903 2.555 -2.104 1.00 0.00 C ATOM 252 O ALA A 15 -13.855 1.828 -1.820 1.00 0.00 O ATOM 253 CB ALA A 15 -12.768 3.454 -4.459 1.00 0.00 C ATOM 0 H ALA A 15 -11.583 5.207 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.139 4.072 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.387 2.620 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.969 4.325 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.716 3.181 -4.545 1.00 0.00 H new ATOM 259 N ALA A 16 -11.670 2.337 -1.646 1.00 0.00 N ATOM 260 CA ALA A 16 -11.374 1.255 -0.702 1.00 0.00 C ATOM 261 C ALA A 16 -12.147 1.437 0.615 1.00 0.00 C ATOM 262 O ALA A 16 -12.752 0.493 1.132 1.00 0.00 O ATOM 263 CB ALA A 16 -9.876 1.181 -0.432 1.00 0.00 C ATOM 0 H ALA A 16 -10.859 2.895 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.697 0.317 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.672 0.373 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.347 0.992 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.536 2.125 -0.007 1.00 0.00 H new ATOM 269 N LYS A 17 -12.120 2.657 1.158 1.00 0.00 N ATOM 270 CA LYS A 17 -12.910 2.983 2.352 1.00 0.00 C ATOM 271 C LYS A 17 -14.400 2.703 2.108 1.00 0.00 C ATOM 272 O LYS A 17 -15.089 2.161 2.974 1.00 0.00 O ATOM 273 CB LYS A 17 -12.718 4.454 2.756 1.00 0.00 C ATOM 274 CG LYS A 17 -11.325 4.789 3.291 1.00 0.00 C ATOM 275 CD LYS A 17 -11.220 6.267 3.679 1.00 0.00 C ATOM 276 CE LYS A 17 -9.842 6.636 4.218 1.00 0.00 C ATOM 277 NZ LYS A 17 -9.550 5.983 5.522 1.00 0.00 N ATOM 0 H LYS A 17 -11.565 3.431 0.794 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.557 2.349 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.922 5.085 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.456 4.708 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.107 4.166 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.576 4.555 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.443 6.884 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.974 6.495 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.082 6.348 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.778 7.718 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.497 6.706 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.307 5.306 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.642 5.480 5.463 1.00 0.00 H new ATOM 291 N ALA A 18 -14.884 3.062 0.918 1.00 0.00 N ATOM 292 CA ALA A 18 -16.273 2.789 0.528 1.00 0.00 C ATOM 293 C ALA A 18 -16.571 1.279 0.546 1.00 0.00 C ATOM 294 O ALA A 18 -17.600 0.846 1.063 1.00 0.00 O ATOM 295 CB ALA A 18 -16.560 3.370 -0.851 1.00 0.00 C ATOM 0 H ALA A 18 -14.336 3.543 0.205 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.927 3.269 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.593 3.160 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.402 4.448 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.890 2.918 -1.583 1.00 0.00 H new ATOM 301 N GLN A 19 -15.663 0.487 -0.025 1.00 0.00 N ATOM 302 CA GLN A 19 -15.778 -0.979 0.000 1.00 0.00 C ATOM 303 C GLN A 19 -15.607 -1.527 1.423 1.00 0.00 C ATOM 304 O GLN A 19 -16.111 -2.602 1.755 1.00 0.00 O ATOM 305 CB GLN A 19 -14.707 -1.622 -0.897 1.00 0.00 C ATOM 306 CG GLN A 19 -14.781 -1.215 -2.361 1.00 0.00 C ATOM 307 CD GLN A 19 -13.736 -1.919 -3.214 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.343 -3.045 -2.932 1.00 0.00 O ATOM 309 NE2 GLN A 19 -13.275 -1.264 -4.261 1.00 0.00 N ATOM 0 H GLN A 19 -14.837 0.833 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.774 -1.228 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.722 -1.360 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.798 -2.706 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.774 -1.442 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.646 -0.137 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.622 -0.328 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.572 -1.693 -4.862 1.00 0.00 H new ATOM 318 N GLY A 20 -14.881 -0.781 2.251 1.00 0.00 N ATOM 319 CA GLY A 20 -14.480 -1.272 3.560 1.00 0.00 C ATOM 320 C GLY A 20 -13.170 -2.049 3.494 1.00 0.00 C ATOM 321 O GLY A 20 -12.638 -2.492 4.519 1.00 0.00 O ATOM 0 H GLY A 20 -14.560 0.163 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.371 -0.432 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.263 -1.913 3.964 1.00 0.00 H new ATOM 325 N ARG A 21 -12.637 -2.197 2.280 1.00 0.00 N ATOM 326 CA ARG A 21 -11.420 -2.976 2.057 1.00 0.00 C ATOM 327 C ARG A 21 -10.757 -2.606 0.723 1.00 0.00 C ATOM 328 O ARG A 21 -11.351 -1.922 -0.106 1.00 0.00 O ATOM 329 CB ARG A 21 -11.754 -4.474 2.055 1.00 0.00 C ATOM 330 CG ARG A 21 -12.521 -4.932 0.816 1.00 0.00 C ATOM 331 CD ARG A 21 -12.936 -6.399 0.898 1.00 0.00 C ATOM 332 NE ARG A 21 -13.379 -6.908 -0.398 1.00 0.00 N ATOM 333 CZ ARG A 21 -14.489 -6.561 -0.993 1.00 0.00 C ATOM 334 NH1 ARG A 21 -15.318 -5.738 -0.432 1.00 0.00 N ATOM 335 NH2 ARG A 21 -14.768 -7.054 -2.153 1.00 0.00 N ATOM 0 H ARG A 21 -13.031 -1.786 1.434 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.724 -2.748 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.828 -5.044 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.343 -4.707 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.409 -4.312 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.901 -4.781 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.097 -6.995 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.739 -6.510 1.627 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.779 -7.583 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.108 -5.351 0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.180 -5.477 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.124 -7.709 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.632 -6.789 -2.625 1.00 0.00 H new ATOM 349 N PHE A 22 -9.530 -3.076 0.526 1.00 0.00 N ATOM 350 CA PHE A 22 -8.830 -2.921 -0.748 1.00 0.00 C ATOM 351 C PHE A 22 -8.138 -4.239 -1.135 1.00 0.00 C ATOM 352 O PHE A 22 -7.071 -4.581 -0.612 1.00 0.00 O ATOM 353 CB PHE A 22 -7.803 -1.778 -0.672 1.00 0.00 C ATOM 354 CG PHE A 22 -7.289 -1.340 -2.025 1.00 0.00 C ATOM 355 CD1 PHE A 22 -8.118 -0.650 -2.898 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.988 -1.622 -2.427 1.00 0.00 C ATOM 357 CE1 PHE A 22 -7.665 -0.248 -4.139 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.533 -1.221 -3.669 1.00 0.00 C ATOM 359 CZ PHE A 22 -6.372 -0.534 -4.524 1.00 0.00 C ATOM 0 H PHE A 22 -8.994 -3.572 1.238 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.562 -2.669 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.258 -0.924 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.961 -2.097 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.132 -0.424 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.327 -2.159 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.322 0.289 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.521 -1.445 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.016 -0.221 -5.494 1.00 0.00 H new ATOM 369 N GLU A 23 -8.771 -4.997 -2.022 1.00 0.00 N ATOM 370 CA GLU A 23 -8.198 -6.259 -2.506 1.00 0.00 C ATOM 371 C GLU A 23 -7.423 -6.048 -3.815 1.00 0.00 C ATOM 372 O GLU A 23 -7.430 -4.956 -4.386 1.00 0.00 O ATOM 373 CB GLU A 23 -9.296 -7.329 -2.671 1.00 0.00 C ATOM 374 CG GLU A 23 -10.506 -6.881 -3.486 1.00 0.00 C ATOM 375 CD GLU A 23 -11.596 -7.947 -3.556 1.00 0.00 C ATOM 376 OE1 GLU A 23 -12.088 -8.376 -2.489 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.971 -8.352 -4.673 1.00 0.00 O ATOM 0 H GLU A 23 -9.680 -4.765 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.489 -6.618 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.860 -8.207 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.635 -7.637 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.919 -5.973 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.185 -6.628 -4.497 1.00 0.00 H new ATOM 384 N GLY A 24 -6.739 -7.093 -4.268 1.00 0.00 N ATOM 385 CA GLY A 24 -5.885 -6.983 -5.446 1.00 0.00 C ATOM 386 C GLY A 24 -6.657 -6.928 -6.759 1.00 0.00 C ATOM 387 O GLY A 24 -7.659 -7.626 -6.932 1.00 0.00 O ATOM 0 H GLY A 24 -6.758 -8.019 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.272 -6.086 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.204 -7.833 -5.471 1.00 0.00 H new ATOM 391 N SER A 25 -6.197 -6.085 -7.682 1.00 0.00 N ATOM 392 CA SER A 25 -6.770 -6.022 -9.032 1.00 0.00 C ATOM 393 C SER A 25 -6.197 -7.141 -9.909 1.00 0.00 C ATOM 394 O SER A 25 -5.209 -7.780 -9.543 1.00 0.00 O ATOM 395 CB SER A 25 -6.473 -4.662 -9.685 1.00 0.00 C ATOM 396 OG SER A 25 -7.018 -3.586 -8.934 1.00 0.00 O ATOM 0 H SER A 25 -5.428 -5.434 -7.522 1.00 0.00 H new ATOM 0 HA SER A 25 -7.849 -6.148 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.395 -4.531 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.884 -4.646 -10.694 1.00 0.00 H new ATOM 0 HG SER A 25 -6.808 -2.738 -9.378 1.00 0.00 H new ATOM 402 N ALA A 26 -6.809 -7.373 -11.070 1.00 0.00 N ATOM 403 CA ALA A 26 -6.303 -8.372 -12.020 1.00 0.00 C ATOM 404 C ALA A 26 -4.816 -8.134 -12.341 1.00 0.00 C ATOM 405 O ALA A 26 -4.059 -9.081 -12.577 1.00 0.00 O ATOM 406 CB ALA A 26 -7.140 -8.363 -13.295 1.00 0.00 C ATOM 0 H ALA A 26 -7.652 -6.887 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.388 -9.354 -11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.753 -9.109 -13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.176 -8.597 -13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.090 -7.377 -13.756 1.00 0.00 H new ATOM 412 N VAL A 27 -4.409 -6.864 -12.338 1.00 0.00 N ATOM 413 CA VAL A 27 -2.998 -6.495 -12.506 1.00 0.00 C ATOM 414 C VAL A 27 -2.140 -7.031 -11.346 1.00 0.00 C ATOM 415 O VAL A 27 -1.116 -7.679 -11.570 1.00 0.00 O ATOM 416 CB VAL A 27 -2.821 -4.960 -12.603 1.00 0.00 C ATOM 417 CG1 VAL A 27 -1.353 -4.590 -12.822 1.00 0.00 C ATOM 418 CG2 VAL A 27 -3.700 -4.388 -13.715 1.00 0.00 C ATOM 0 H VAL A 27 -5.037 -6.069 -12.221 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.663 -6.949 -13.439 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.137 -4.521 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.257 -3.506 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.757 -4.958 -11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.998 -5.042 -13.748 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.562 -3.308 -13.768 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.420 -4.837 -14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.746 -4.610 -13.503 1.00 0.00 H new ATOM 428 N ASP A 28 -2.560 -6.756 -10.106 1.00 0.00 N ATOM 429 CA ASP A 28 -1.888 -7.305 -8.920 1.00 0.00 C ATOM 430 C ASP A 28 -1.770 -8.832 -9.025 1.00 0.00 C ATOM 431 O ASP A 28 -0.689 -9.398 -8.878 1.00 0.00 O ATOM 432 CB ASP A 28 -2.654 -6.932 -7.641 1.00 0.00 C ATOM 433 CG ASP A 28 -2.626 -5.442 -7.354 1.00 0.00 C ATOM 434 OD1 ASP A 28 -3.418 -4.702 -7.973 1.00 0.00 O ATOM 435 OD2 ASP A 28 -1.805 -5.006 -6.514 1.00 0.00 O ATOM 0 H ASP A 28 -3.360 -6.158 -9.897 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.888 -6.874 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.689 -7.260 -7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.224 -7.469 -6.795 1.00 0.00 H new ATOM 440 N LEU A 29 -2.893 -9.488 -9.310 1.00 0.00 N ATOM 441 CA LEU A 29 -2.936 -10.949 -9.461 1.00 0.00 C ATOM 442 C LEU A 29 -1.948 -11.441 -10.536 1.00 0.00 C ATOM 443 O LEU A 29 -1.393 -12.535 -10.429 1.00 0.00 O ATOM 444 CB LEU A 29 -4.362 -11.395 -9.812 1.00 0.00 C ATOM 445 CG LEU A 29 -5.439 -11.005 -8.785 1.00 0.00 C ATOM 446 CD1 LEU A 29 -6.826 -11.410 -9.272 1.00 0.00 C ATOM 447 CD2 LEU A 29 -5.139 -11.627 -7.421 1.00 0.00 C ATOM 0 H LEU A 29 -3.795 -9.030 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.638 -11.392 -8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.632 -10.969 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.369 -12.479 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.423 -9.921 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.570 -11.124 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.042 -10.907 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.858 -12.489 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.914 -11.338 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.118 -12.713 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.171 -11.275 -7.065 1.00 0.00 H new ATOM 459 N ALA A 30 -1.732 -10.623 -11.563 1.00 0.00 N ATOM 460 CA ALA A 30 -0.777 -10.947 -12.631 1.00 0.00 C ATOM 461 C ALA A 30 0.679 -10.783 -12.158 1.00 0.00 C ATOM 462 O ALA A 30 1.531 -11.636 -12.418 1.00 0.00 O ATOM 463 CB ALA A 30 -1.040 -10.070 -13.854 1.00 0.00 C ATOM 0 H ALA A 30 -2.205 -9.727 -11.682 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.920 -11.993 -12.902 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.327 -10.318 -14.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.053 -10.244 -14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.928 -9.021 -13.580 1.00 0.00 H new ATOM 469 N ASP A 31 0.957 -9.680 -11.463 1.00 0.00 N ATOM 470 CA ASP A 31 2.303 -9.399 -10.942 1.00 0.00 C ATOM 471 C ASP A 31 2.687 -10.390 -9.826 1.00 0.00 C ATOM 472 O ASP A 31 3.853 -10.772 -9.683 1.00 0.00 O ATOM 473 CB ASP A 31 2.360 -7.959 -10.408 1.00 0.00 C ATOM 474 CG ASP A 31 3.773 -7.511 -10.076 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.255 -7.795 -8.955 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.415 -6.879 -10.940 1.00 0.00 O ATOM 0 H ASP A 31 0.267 -8.961 -11.245 1.00 0.00 H new ATOM 0 HA ASP A 31 3.018 -9.516 -11.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.934 -7.284 -11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.740 -7.883 -9.515 1.00 0.00 H new ATOM 481 N GLY A 32 1.687 -10.793 -9.048 1.00 0.00 N ATOM 482 CA GLY A 32 1.895 -11.694 -7.919 1.00 0.00 C ATOM 483 C GLY A 32 1.072 -11.282 -6.702 1.00 0.00 C ATOM 484 O GLY A 32 1.609 -11.127 -5.605 1.00 0.00 O ATOM 0 H GLY A 32 0.717 -10.507 -9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.627 -12.709 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.952 -11.706 -7.655 1.00 0.00 H new ATOM 488 N PHE A 33 -0.237 -11.104 -6.909 1.00 0.00 N ATOM 489 CA PHE A 33 -1.154 -10.624 -5.863 1.00 0.00 C ATOM 490 C PHE A 33 -0.826 -9.177 -5.445 1.00 0.00 C ATOM 491 O PHE A 33 -0.060 -8.488 -6.122 1.00 0.00 O ATOM 492 CB PHE A 33 -1.155 -11.576 -4.657 1.00 0.00 C ATOM 493 CG PHE A 33 -1.819 -12.903 -4.946 1.00 0.00 C ATOM 494 CD1 PHE A 33 -1.169 -13.879 -5.691 1.00 0.00 C ATOM 495 CD2 PHE A 33 -3.097 -13.173 -4.471 1.00 0.00 C ATOM 496 CE1 PHE A 33 -1.777 -15.091 -5.955 1.00 0.00 C ATOM 497 CE2 PHE A 33 -3.709 -14.385 -4.733 1.00 0.00 C ATOM 498 CZ PHE A 33 -3.048 -15.345 -5.475 1.00 0.00 C ATOM 0 H PHE A 33 -0.692 -11.287 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.161 -10.615 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.127 -11.753 -4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.666 -11.095 -3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.175 -13.688 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.619 -12.427 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.259 -15.840 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.703 -14.581 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.524 -16.293 -5.680 1.00 0.00 H new ATOM 508 N ILE A 34 -1.422 -8.709 -4.343 1.00 0.00 N ATOM 509 CA ILE A 34 -1.295 -7.302 -3.932 1.00 0.00 C ATOM 510 C ILE A 34 0.175 -6.864 -3.812 1.00 0.00 C ATOM 511 O ILE A 34 0.870 -7.212 -2.854 1.00 0.00 O ATOM 512 CB ILE A 34 -2.027 -7.028 -2.590 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.516 -7.399 -2.706 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.867 -5.562 -2.173 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.316 -7.150 -1.442 1.00 0.00 C ATOM 0 H ILE A 34 -1.995 -9.279 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.767 -6.714 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.574 -7.651 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.959 -6.828 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.597 -8.453 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.388 -5.393 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.809 -5.332 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.291 -4.917 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.355 -7.437 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.901 -7.742 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.268 -6.092 -1.184 1.00 0.00 H new ATOM 527 N HIS A 35 0.640 -6.099 -4.798 1.00 0.00 N ATOM 528 CA HIS A 35 2.027 -5.621 -4.815 1.00 0.00 C ATOM 529 C HIS A 35 2.235 -4.438 -3.851 1.00 0.00 C ATOM 530 O HIS A 35 1.655 -3.360 -4.021 1.00 0.00 O ATOM 531 CB HIS A 35 2.467 -5.250 -6.245 1.00 0.00 C ATOM 532 CG HIS A 35 1.515 -4.353 -6.983 1.00 0.00 C ATOM 533 ND1 HIS A 35 1.222 -3.068 -6.584 1.00 0.00 N ATOM 534 CD2 HIS A 35 0.788 -4.564 -8.108 1.00 0.00 C ATOM 535 CE1 HIS A 35 0.362 -2.530 -7.424 1.00 0.00 C ATOM 536 NE2 HIS A 35 0.080 -3.413 -8.359 1.00 0.00 N ATOM 0 H HIS A 35 0.081 -5.796 -5.595 1.00 0.00 H new ATOM 0 HA HIS A 35 2.656 -6.440 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.440 -4.762 -6.196 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.599 -6.167 -6.819 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.611 -2.604 -5.763 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.769 -5.469 -8.697 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.044 -1.531 -7.357 1.00 0.00 H new ATOM 545 N LEU A 36 3.057 -4.658 -2.828 1.00 0.00 N ATOM 546 CA LEU A 36 3.390 -3.618 -1.847 1.00 0.00 C ATOM 547 C LEU A 36 4.781 -3.021 -2.133 1.00 0.00 C ATOM 548 O LEU A 36 5.384 -3.295 -3.171 1.00 0.00 O ATOM 549 CB LEU A 36 3.356 -4.214 -0.431 1.00 0.00 C ATOM 550 CG LEU A 36 2.039 -4.904 -0.032 1.00 0.00 C ATOM 551 CD1 LEU A 36 2.168 -5.567 1.337 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.883 -3.910 -0.041 1.00 0.00 C ATOM 0 H LEU A 36 3.511 -5.555 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 36 2.653 -2.819 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.166 -4.937 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.559 -3.417 0.284 1.00 0.00 H new ATOM 0 HG LEU A 36 1.827 -5.680 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.226 -6.048 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.961 -6.314 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.410 -4.812 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.037 -4.420 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.088 -3.107 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.771 -3.491 -1.041 1.00 0.00 H new ATOM 564 N SER A 37 5.290 -2.211 -1.205 1.00 0.00 N ATOM 565 CA SER A 37 6.620 -1.601 -1.354 1.00 0.00 C ATOM 566 C SER A 37 7.375 -1.558 -0.018 1.00 0.00 C ATOM 567 O SER A 37 6.773 -1.585 1.057 1.00 0.00 O ATOM 568 CB SER A 37 6.511 -0.177 -1.929 1.00 0.00 C ATOM 569 OG SER A 37 5.731 0.666 -1.095 1.00 0.00 O ATOM 0 H SER A 37 4.807 -1.960 -0.343 1.00 0.00 H new ATOM 0 HA SER A 37 7.181 -2.226 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.509 0.247 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.066 -0.219 -2.923 1.00 0.00 H new ATOM 0 HG SER A 37 5.240 0.120 -0.446 1.00 0.00 H new ATOM 575 N ALA A 38 8.702 -1.500 -0.102 1.00 0.00 N ATOM 576 CA ALA A 38 9.558 -1.404 1.088 1.00 0.00 C ATOM 577 C ALA A 38 9.909 0.061 1.403 1.00 0.00 C ATOM 578 O ALA A 38 9.467 0.971 0.702 1.00 0.00 O ATOM 579 CB ALA A 38 10.823 -2.234 0.887 1.00 0.00 C ATOM 0 H ALA A 38 9.214 -1.518 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 38 9.009 -1.801 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.453 -2.158 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.552 -3.277 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.369 -1.861 0.021 1.00 0.00 H new ATOM 585 N GLY A 39 10.726 0.275 2.439 1.00 0.00 N ATOM 586 CA GLY A 39 11.063 1.632 2.884 1.00 0.00 C ATOM 587 C GLY A 39 11.606 2.535 1.774 1.00 0.00 C ATOM 588 O GLY A 39 10.880 3.374 1.231 1.00 0.00 O ATOM 0 H GLY A 39 11.164 -0.469 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.173 2.094 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.804 1.568 3.681 1.00 0.00 H new ATOM 592 N GLU A 40 12.883 2.370 1.428 1.00 0.00 N ATOM 593 CA GLU A 40 13.504 3.183 0.373 1.00 0.00 C ATOM 594 C GLU A 40 12.844 2.938 -0.995 1.00 0.00 C ATOM 595 O GLU A 40 12.808 3.827 -1.846 1.00 0.00 O ATOM 596 CB GLU A 40 15.015 2.908 0.292 1.00 0.00 C ATOM 597 CG GLU A 40 15.731 3.723 -0.785 1.00 0.00 C ATOM 598 CD GLU A 40 17.243 3.556 -0.756 1.00 0.00 C ATOM 599 OE1 GLU A 40 17.736 2.468 -1.126 1.00 0.00 O ATOM 600 OE2 GLU A 40 17.947 4.511 -0.370 1.00 0.00 O ATOM 0 H GLU A 40 13.507 1.687 1.857 1.00 0.00 H new ATOM 0 HA GLU A 40 13.350 4.230 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.467 3.125 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.172 1.847 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.358 3.426 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.486 4.777 -0.657 1.00 0.00 H new ATOM 607 N GLN A 41 12.302 1.734 -1.194 1.00 0.00 N ATOM 608 CA GLN A 41 11.618 1.394 -2.449 1.00 0.00 C ATOM 609 C GLN A 41 10.393 2.292 -2.686 1.00 0.00 C ATOM 610 O GLN A 41 10.123 2.698 -3.817 1.00 0.00 O ATOM 611 CB GLN A 41 11.212 -0.089 -2.462 1.00 0.00 C ATOM 612 CG GLN A 41 10.207 -0.445 -3.556 1.00 0.00 C ATOM 613 CD GLN A 41 10.056 -1.942 -3.785 1.00 0.00 C ATOM 614 OE1 GLN A 41 9.714 -2.371 -4.878 1.00 0.00 O ATOM 615 NE2 GLN A 41 10.320 -2.749 -2.770 1.00 0.00 N ATOM 0 H GLN A 41 12.322 0.980 -0.507 1.00 0.00 H new ATOM 0 HA GLN A 41 12.320 1.570 -3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.106 -0.699 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.786 -0.348 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.235 -0.027 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.516 0.027 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.603 -2.361 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.240 -3.759 -2.887 1.00 0.00 H new ATOM 624 N ALA A 42 9.656 2.603 -1.622 1.00 0.00 N ATOM 625 CA ALA A 42 8.526 3.533 -1.717 1.00 0.00 C ATOM 626 C ALA A 42 8.992 4.917 -2.199 1.00 0.00 C ATOM 627 O ALA A 42 8.416 5.487 -3.123 1.00 0.00 O ATOM 628 CB ALA A 42 7.810 3.640 -0.374 1.00 0.00 C ATOM 0 H ALA A 42 9.817 2.228 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 42 7.823 3.142 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.974 4.334 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.438 2.658 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.506 4.004 0.381 1.00 0.00 H new ATOM 634 N GLN A 43 10.055 5.433 -1.577 1.00 0.00 N ATOM 635 CA GLN A 43 10.646 6.722 -1.966 1.00 0.00 C ATOM 636 C GLN A 43 11.122 6.712 -3.430 1.00 0.00 C ATOM 637 O GLN A 43 10.785 7.606 -4.212 1.00 0.00 O ATOM 638 CB GLN A 43 11.831 7.058 -1.041 1.00 0.00 C ATOM 639 CG GLN A 43 12.650 8.274 -1.483 1.00 0.00 C ATOM 640 CD GLN A 43 11.861 9.573 -1.447 1.00 0.00 C ATOM 641 OE1 GLN A 43 11.855 10.280 -0.449 1.00 0.00 O ATOM 642 NE2 GLN A 43 11.188 9.897 -2.532 1.00 0.00 N ATOM 0 H GLN A 43 10.528 4.977 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 43 9.872 7.483 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.452 7.236 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.490 6.192 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.524 8.369 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.018 8.108 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.213 9.287 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.642 10.758 -2.555 1.00 0.00 H new ATOM 651 N GLU A 44 11.910 5.701 -3.784 1.00 0.00 N ATOM 652 CA GLU A 44 12.489 5.594 -5.127 1.00 0.00 C ATOM 653 C GLU A 44 11.391 5.458 -6.198 1.00 0.00 C ATOM 654 O GLU A 44 11.355 6.220 -7.167 1.00 0.00 O ATOM 655 CB GLU A 44 13.455 4.398 -5.184 1.00 0.00 C ATOM 656 CG GLU A 44 14.284 4.318 -6.465 1.00 0.00 C ATOM 657 CD GLU A 44 15.189 5.527 -6.673 1.00 0.00 C ATOM 658 OE1 GLU A 44 16.223 5.632 -5.979 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.880 6.373 -7.542 1.00 0.00 O ATOM 0 H GLU A 44 12.166 4.938 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 44 13.043 6.509 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.131 4.451 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.881 3.477 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.895 3.416 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.613 4.224 -7.319 1.00 0.00 H new ATOM 666 N THR A 45 10.482 4.498 -6.006 1.00 0.00 N ATOM 667 CA THR A 45 9.349 4.310 -6.926 1.00 0.00 C ATOM 668 C THR A 45 8.493 5.582 -7.015 1.00 0.00 C ATOM 669 O THR A 45 8.002 5.939 -8.085 1.00 0.00 O ATOM 670 CB THR A 45 8.438 3.127 -6.506 1.00 0.00 C ATOM 671 OG1 THR A 45 9.212 1.923 -6.375 1.00 0.00 O ATOM 672 CG2 THR A 45 7.323 2.905 -7.527 1.00 0.00 C ATOM 0 H THR A 45 10.505 3.840 -5.227 1.00 0.00 H new ATOM 0 HA THR A 45 9.784 4.085 -7.900 1.00 0.00 H new ATOM 0 HB THR A 45 7.989 3.377 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.687 1.931 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.699 2.070 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.714 3.806 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.760 2.681 -8.500 1.00 0.00 H new ATOM 680 N ALA A 46 8.320 6.264 -5.884 1.00 0.00 N ATOM 681 CA ALA A 46 7.586 7.531 -5.849 1.00 0.00 C ATOM 682 C ALA A 46 8.270 8.597 -6.717 1.00 0.00 C ATOM 683 O ALA A 46 7.614 9.302 -7.484 1.00 0.00 O ATOM 684 CB ALA A 46 7.450 8.027 -4.415 1.00 0.00 C ATOM 0 H ALA A 46 8.678 5.961 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 46 6.591 7.351 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.902 8.969 -4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.909 7.288 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.441 8.179 -3.987 1.00 0.00 H new ATOM 690 N ALA A 47 9.593 8.692 -6.599 1.00 0.00 N ATOM 691 CA ALA A 47 10.377 9.678 -7.350 1.00 0.00 C ATOM 692 C ALA A 47 10.412 9.371 -8.858 1.00 0.00 C ATOM 693 O ALA A 47 10.615 10.267 -9.677 1.00 0.00 O ATOM 694 CB ALA A 47 11.796 9.748 -6.792 1.00 0.00 C ATOM 0 H ALA A 47 10.150 8.095 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 47 9.888 10.645 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.372 10.482 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.760 10.041 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.270 8.770 -6.879 1.00 0.00 H new ATOM 700 N LYS A 48 10.239 8.101 -9.221 1.00 0.00 N ATOM 701 CA LYS A 48 10.215 7.695 -10.620 1.00 0.00 C ATOM 702 C LYS A 48 8.800 7.771 -11.227 1.00 0.00 C ATOM 703 O LYS A 48 8.594 8.381 -12.278 1.00 0.00 O ATOM 704 CB LYS A 48 10.742 6.264 -10.745 1.00 0.00 C ATOM 705 CG LYS A 48 12.166 6.062 -10.232 1.00 0.00 C ATOM 706 CD LYS A 48 12.720 4.699 -10.650 1.00 0.00 C ATOM 707 CE LYS A 48 14.062 4.385 -9.991 1.00 0.00 C ATOM 708 NZ LYS A 48 15.040 5.500 -10.123 1.00 0.00 N ATOM 0 H LYS A 48 10.113 7.334 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 48 10.850 8.387 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.075 5.597 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.702 5.967 -11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.809 6.852 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.178 6.144 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.001 3.923 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.837 4.675 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.902 4.170 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.481 3.484 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.985 5.112 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.754 6.122 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.065 6.047 -9.239 1.00 0.00 H new ATOM 722 N TRP A 49 7.830 7.149 -10.555 1.00 0.00 N ATOM 723 CA TRP A 49 6.486 6.946 -11.123 1.00 0.00 C ATOM 724 C TRP A 49 5.415 7.875 -10.523 1.00 0.00 C ATOM 725 O TRP A 49 4.586 8.422 -11.253 1.00 0.00 O ATOM 726 CB TRP A 49 6.067 5.483 -10.933 1.00 0.00 C ATOM 727 CG TRP A 49 6.995 4.514 -11.611 1.00 0.00 C ATOM 728 CD1 TRP A 49 8.040 3.838 -11.045 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.970 4.126 -12.991 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.660 3.053 -11.987 1.00 0.00 N ATOM 731 CE2 TRP A 49 8.021 3.210 -13.188 1.00 0.00 C ATOM 732 CE3 TRP A 49 6.158 4.463 -14.079 1.00 0.00 C ATOM 733 CZ2 TRP A 49 8.281 2.630 -14.427 1.00 0.00 C ATOM 734 CZ3 TRP A 49 6.416 3.884 -15.307 1.00 0.00 C ATOM 735 CH2 TRP A 49 7.470 2.976 -15.472 1.00 0.00 C ATOM 0 H TRP A 49 7.946 6.774 -9.613 1.00 0.00 H new ATOM 0 HA TRP A 49 6.553 7.196 -12.182 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.030 5.257 -9.867 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.059 5.346 -11.324 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.335 3.910 -10.009 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.466 2.451 -11.819 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.344 5.163 -13.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 9.094 1.932 -14.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.795 4.136 -16.154 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.646 2.540 -16.445 1.00 0.00 H new ATOM 746 N PHE A 50 5.425 8.057 -9.203 1.00 0.00 N ATOM 747 CA PHE A 50 4.368 8.834 -8.530 1.00 0.00 C ATOM 748 C PHE A 50 4.658 10.342 -8.541 1.00 0.00 C ATOM 749 O PHE A 50 3.858 11.141 -8.055 1.00 0.00 O ATOM 750 CB PHE A 50 4.170 8.344 -7.090 1.00 0.00 C ATOM 751 CG PHE A 50 3.622 6.938 -6.998 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.253 6.709 -7.040 1.00 0.00 C ATOM 753 CD2 PHE A 50 4.474 5.847 -6.875 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.746 5.425 -6.959 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.971 4.563 -6.794 1.00 0.00 C ATOM 756 CZ PHE A 50 2.606 4.352 -6.836 1.00 0.00 C ATOM 0 H PHE A 50 6.141 7.685 -8.579 1.00 0.00 H new ATOM 0 HA PHE A 50 3.448 8.673 -9.093 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.125 8.388 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.492 9.024 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.576 7.544 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.542 6.005 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.679 5.262 -6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.644 3.724 -6.698 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.212 3.348 -6.773 1.00 0.00 H new ATOM 766 N ARG A 51 5.801 10.724 -9.096 1.00 0.00 N ATOM 767 CA ARG A 51 6.163 12.138 -9.230 1.00 0.00 C ATOM 768 C ARG A 51 5.167 12.895 -10.128 1.00 0.00 C ATOM 769 O ARG A 51 4.841 12.452 -11.232 1.00 0.00 O ATOM 770 CB ARG A 51 7.581 12.269 -9.799 1.00 0.00 C ATOM 771 CG ARG A 51 7.791 11.511 -11.106 1.00 0.00 C ATOM 772 CD ARG A 51 9.103 11.897 -11.774 1.00 0.00 C ATOM 773 NE ARG A 51 9.398 11.046 -12.927 1.00 0.00 N ATOM 774 CZ ARG A 51 9.324 11.435 -14.169 1.00 0.00 C ATOM 775 NH1 ARG A 51 8.944 12.636 -14.462 1.00 0.00 N ATOM 776 NH2 ARG A 51 9.638 10.614 -15.118 1.00 0.00 N ATOM 0 H ARG A 51 6.498 10.076 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 51 6.127 12.585 -8.236 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.801 13.324 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.294 11.905 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.784 10.439 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.963 11.717 -11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.055 12.938 -12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.915 11.823 -11.050 1.00 0.00 H new ATOM 0 HE ARG A 51 9.681 10.083 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.699 13.289 -13.718 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.890 12.930 -15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.942 9.667 -14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.582 10.914 -16.091 1.00 0.00 H new ATOM 790 N GLY A 52 4.692 14.040 -9.647 1.00 0.00 N ATOM 791 CA GLY A 52 3.725 14.836 -10.400 1.00 0.00 C ATOM 792 C GLY A 52 2.271 14.446 -10.127 1.00 0.00 C ATOM 793 O GLY A 52 1.342 15.124 -10.577 1.00 0.00 O ATOM 0 H GLY A 52 4.958 14.436 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.863 15.889 -10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.928 14.728 -11.465 1.00 0.00 H new ATOM 797 N GLN A 53 2.063 13.357 -9.389 1.00 0.00 N ATOM 798 CA GLN A 53 0.710 12.900 -9.055 1.00 0.00 C ATOM 799 C GLN A 53 0.237 13.504 -7.722 1.00 0.00 C ATOM 800 O GLN A 53 0.822 13.251 -6.671 1.00 0.00 O ATOM 801 CB GLN A 53 0.664 11.367 -8.978 1.00 0.00 C ATOM 802 CG GLN A 53 1.122 10.668 -10.254 1.00 0.00 C ATOM 803 CD GLN A 53 0.964 9.157 -10.194 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.064 8.631 -9.546 1.00 0.00 O ATOM 805 NE2 GLN A 53 1.841 8.444 -10.871 1.00 0.00 N ATOM 0 H GLN A 53 2.810 12.774 -9.011 1.00 0.00 H new ATOM 0 HA GLN A 53 0.039 13.237 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.290 11.036 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.355 11.055 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.551 11.054 -11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.168 10.911 -10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.578 8.910 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.783 7.426 -10.866 1.00 0.00 H new ATOM 814 N ALA A 54 -0.822 14.309 -7.776 1.00 0.00 N ATOM 815 CA ALA A 54 -1.390 14.920 -6.571 1.00 0.00 C ATOM 816 C ALA A 54 -2.447 14.013 -5.929 1.00 0.00 C ATOM 817 O ALA A 54 -3.055 13.173 -6.601 1.00 0.00 O ATOM 818 CB ALA A 54 -1.988 16.283 -6.902 1.00 0.00 C ATOM 0 H ALA A 54 -1.306 14.555 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.584 15.053 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.406 16.726 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.210 16.935 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.776 16.164 -7.646 1.00 0.00 H new ATOM 824 N ASN A 55 -2.659 14.197 -4.628 1.00 0.00 N ATOM 825 CA ASN A 55 -3.605 13.383 -3.858 1.00 0.00 C ATOM 826 C ASN A 55 -3.176 11.905 -3.822 1.00 0.00 C ATOM 827 O ASN A 55 -3.762 11.048 -4.488 1.00 0.00 O ATOM 828 CB ASN A 55 -5.031 13.520 -4.414 1.00 0.00 C ATOM 829 CG ASN A 55 -5.530 14.953 -4.393 1.00 0.00 C ATOM 830 OD1 ASN A 55 -5.173 15.737 -3.523 1.00 0.00 O ATOM 831 ND2 ASN A 55 -6.363 15.306 -5.350 1.00 0.00 N ATOM 0 H ASN A 55 -2.183 14.911 -4.077 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.600 13.757 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.056 13.146 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.707 12.895 -3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.730 16.257 -5.381 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.641 14.628 -6.060 1.00 0.00 H new ATOM 838 N LEU A 56 -2.131 11.623 -3.052 1.00 0.00 N ATOM 839 CA LEU A 56 -1.619 10.255 -2.887 1.00 0.00 C ATOM 840 C LEU A 56 -1.661 9.831 -1.411 1.00 0.00 C ATOM 841 O LEU A 56 -1.615 10.672 -0.512 1.00 0.00 O ATOM 842 CB LEU A 56 -0.176 10.155 -3.409 1.00 0.00 C ATOM 843 CG LEU A 56 0.021 10.441 -4.909 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.505 10.410 -5.273 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.762 9.444 -5.760 1.00 0.00 C ATOM 0 H LEU A 56 -1.613 12.326 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.257 9.586 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.443 10.851 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.197 9.153 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.363 11.440 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.623 10.614 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.037 11.167 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.915 9.426 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.607 9.666 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.415 8.433 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.824 9.520 -5.525 1.00 0.00 H new ATOM 857 N VAL A 57 -1.743 8.527 -1.169 1.00 0.00 N ATOM 858 CA VAL A 57 -1.784 7.988 0.196 1.00 0.00 C ATOM 859 C VAL A 57 -0.735 6.882 0.390 1.00 0.00 C ATOM 860 O VAL A 57 -0.529 6.044 -0.488 1.00 0.00 O ATOM 861 CB VAL A 57 -3.188 7.422 0.540 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.224 6.872 1.968 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.265 8.491 0.346 1.00 0.00 C ATOM 0 H VAL A 57 -1.783 7.817 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.560 8.816 0.868 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.395 6.599 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.219 6.482 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.491 6.072 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.988 7.670 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.241 8.073 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.058 9.339 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.265 8.824 -0.692 1.00 0.00 H new ATOM 873 N LEU A 58 -0.071 6.891 1.540 1.00 0.00 N ATOM 874 CA LEU A 58 0.906 5.857 1.883 1.00 0.00 C ATOM 875 C LEU A 58 0.389 5.018 3.060 1.00 0.00 C ATOM 876 O LEU A 58 0.315 5.495 4.196 1.00 0.00 O ATOM 877 CB LEU A 58 2.264 6.507 2.218 1.00 0.00 C ATOM 878 CG LEU A 58 3.492 5.569 2.216 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.782 6.383 2.223 1.00 0.00 C ATOM 880 CD2 LEU A 58 3.477 4.608 3.405 1.00 0.00 C ATOM 0 H LEU A 58 -0.191 7.607 2.257 1.00 0.00 H new ATOM 0 HA LEU A 58 1.047 5.194 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.445 7.309 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.188 6.969 3.202 1.00 0.00 H new ATOM 0 HG LEU A 58 3.444 4.973 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.638 5.708 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.818 7.016 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.814 7.007 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.357 3.967 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.485 5.178 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.578 3.993 3.364 1.00 0.00 H new ATOM 892 N LEU A 59 0.012 3.776 2.777 1.00 0.00 N ATOM 893 CA LEU A 59 -0.473 2.856 3.809 1.00 0.00 C ATOM 894 C LEU A 59 0.694 2.212 4.572 1.00 0.00 C ATOM 895 O LEU A 59 1.444 1.409 4.017 1.00 0.00 O ATOM 896 CB LEU A 59 -1.348 1.759 3.183 1.00 0.00 C ATOM 897 CG LEU A 59 -2.598 2.257 2.435 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.396 1.085 1.867 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.474 3.114 3.349 1.00 0.00 C ATOM 0 H LEU A 59 0.032 3.378 1.838 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.070 3.435 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.736 1.182 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.665 1.077 3.972 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.266 2.877 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.274 1.463 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.772 0.523 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.712 0.432 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.351 3.454 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.792 2.523 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.905 3.977 3.694 1.00 0.00 H new ATOM 911 N ALA A 60 0.843 2.583 5.839 1.00 0.00 N ATOM 912 CA ALA A 60 1.886 2.023 6.704 1.00 0.00 C ATOM 913 C ALA A 60 1.291 1.001 7.683 1.00 0.00 C ATOM 914 O ALA A 60 0.443 1.343 8.510 1.00 0.00 O ATOM 915 CB ALA A 60 2.592 3.143 7.465 1.00 0.00 C ATOM 0 H ALA A 60 0.251 3.276 6.297 1.00 0.00 H new ATOM 0 HA ALA A 60 2.615 1.508 6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.365 2.717 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.048 3.834 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.868 3.679 8.079 1.00 0.00 H new ATOM 921 N VAL A 61 1.725 -0.255 7.575 1.00 0.00 N ATOM 922 CA VAL A 61 1.218 -1.331 8.440 1.00 0.00 C ATOM 923 C VAL A 61 2.362 -2.066 9.163 1.00 0.00 C ATOM 924 O VAL A 61 3.354 -2.466 8.542 1.00 0.00 O ATOM 925 CB VAL A 61 0.386 -2.363 7.630 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.161 -3.463 8.542 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.748 -1.674 6.870 1.00 0.00 C ATOM 0 H VAL A 61 2.426 -0.557 6.898 1.00 0.00 H new ATOM 0 HA VAL A 61 0.578 -0.855 9.183 1.00 0.00 H new ATOM 0 HB VAL A 61 1.049 -2.829 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.740 -4.172 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.668 -3.983 9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.802 -3.019 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.316 -2.418 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.407 -1.171 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.331 -0.941 6.179 1.00 0.00 H new ATOM 937 N GLU A 62 2.220 -2.234 10.479 1.00 0.00 N ATOM 938 CA GLU A 62 3.200 -2.978 11.278 1.00 0.00 C ATOM 939 C GLU A 62 2.962 -4.497 11.163 1.00 0.00 C ATOM 940 O GLU A 62 2.002 -5.034 11.719 1.00 0.00 O ATOM 941 CB GLU A 62 3.146 -2.520 12.747 1.00 0.00 C ATOM 942 CG GLU A 62 3.511 -1.045 12.942 1.00 0.00 C ATOM 943 CD GLU A 62 3.592 -0.636 14.407 1.00 0.00 C ATOM 944 OE1 GLU A 62 4.531 -1.082 15.101 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.725 0.133 14.874 1.00 0.00 O ATOM 0 H GLU A 62 1.435 -1.865 11.016 1.00 0.00 H new ATOM 0 HA GLU A 62 4.196 -2.768 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.142 -2.692 13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.826 -3.135 13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.470 -0.848 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.770 -0.424 12.439 1.00 0.00 H new ATOM 952 N ALA A 63 3.859 -5.192 10.458 1.00 0.00 N ATOM 953 CA ALA A 63 3.634 -6.595 10.082 1.00 0.00 C ATOM 954 C ALA A 63 4.068 -7.588 11.176 1.00 0.00 C ATOM 955 O ALA A 63 4.821 -8.528 10.916 1.00 0.00 O ATOM 956 CB ALA A 63 4.350 -6.894 8.765 1.00 0.00 C ATOM 0 H ALA A 63 4.747 -4.809 10.135 1.00 0.00 H new ATOM 0 HA ALA A 63 2.560 -6.731 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.182 -7.935 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.960 -6.243 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.419 -6.718 8.884 1.00 0.00 H new ATOM 962 N GLU A 64 3.578 -7.397 12.397 1.00 0.00 N ATOM 963 CA GLU A 64 3.879 -8.329 13.495 1.00 0.00 C ATOM 964 C GLU A 64 2.980 -9.590 13.448 1.00 0.00 C ATOM 965 O GLU A 64 3.494 -10.706 13.346 1.00 0.00 O ATOM 966 CB GLU A 64 3.775 -7.624 14.860 1.00 0.00 C ATOM 967 CG GLU A 64 4.840 -6.557 15.083 1.00 0.00 C ATOM 968 CD GLU A 64 4.684 -5.845 16.416 1.00 0.00 C ATOM 969 OE1 GLU A 64 5.059 -6.427 17.459 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.178 -4.706 16.428 1.00 0.00 O ATOM 0 H GLU A 64 2.976 -6.616 12.657 1.00 0.00 H new ATOM 0 HA GLU A 64 4.908 -8.664 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.790 -7.165 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.850 -8.370 15.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.827 -7.018 15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.790 -5.825 14.277 1.00 0.00 H new ATOM 977 N PRO A 65 1.629 -9.449 13.500 1.00 0.00 N ATOM 978 CA PRO A 65 0.717 -10.614 13.500 1.00 0.00 C ATOM 979 C PRO A 65 0.548 -11.258 12.108 1.00 0.00 C ATOM 980 O PRO A 65 0.477 -12.480 11.979 1.00 0.00 O ATOM 981 CB PRO A 65 -0.607 -10.008 13.986 1.00 0.00 C ATOM 982 CG PRO A 65 -0.566 -8.593 13.512 1.00 0.00 C ATOM 983 CD PRO A 65 0.881 -8.171 13.577 1.00 0.00 C ATOM 0 HA PRO A 65 1.095 -11.426 14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.463 -10.541 13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.693 -10.061 15.071 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.950 -8.511 12.495 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.187 -7.954 14.140 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.141 -7.506 12.753 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.100 -7.635 14.501 1.00 0.00 H new ATOM 991 N LEU A 66 0.486 -10.428 11.067 1.00 0.00 N ATOM 992 CA LEU A 66 0.312 -10.916 9.689 1.00 0.00 C ATOM 993 C LEU A 66 1.655 -10.984 8.939 1.00 0.00 C ATOM 994 O LEU A 66 1.697 -11.026 7.710 1.00 0.00 O ATOM 995 CB LEU A 66 -0.689 -10.028 8.916 1.00 0.00 C ATOM 996 CG LEU A 66 -0.188 -8.638 8.451 1.00 0.00 C ATOM 997 CD1 LEU A 66 -1.201 -7.997 7.507 1.00 0.00 C ATOM 998 CD2 LEU A 66 0.086 -7.707 9.632 1.00 0.00 C ATOM 0 H LEU A 66 0.553 -9.413 11.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.090 -11.927 9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.021 -10.579 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.565 -9.878 9.547 1.00 0.00 H new ATOM 0 HG LEU A 66 0.753 -8.791 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.835 -7.021 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.339 -8.635 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.154 -7.877 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.435 -6.743 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.831 -7.565 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.849 -8.148 10.273 1.00 0.00 H new ATOM 1010 N GLY A 67 2.750 -11.048 9.695 1.00 0.00 N ATOM 1011 CA GLY A 67 4.089 -10.991 9.110 1.00 0.00 C ATOM 1012 C GLY A 67 4.437 -12.153 8.176 1.00 0.00 C ATOM 1013 O GLY A 67 5.455 -12.107 7.483 1.00 0.00 O ATOM 0 H GLY A 67 2.737 -11.139 10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.188 -10.057 8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.821 -10.962 9.917 1.00 0.00 H new ATOM 1017 N GLU A 68 3.614 -13.201 8.156 1.00 0.00 N ATOM 1018 CA GLU A 68 3.860 -14.347 7.268 1.00 0.00 C ATOM 1019 C GLU A 68 2.675 -14.585 6.312 1.00 0.00 C ATOM 1020 O GLU A 68 2.663 -15.547 5.540 1.00 0.00 O ATOM 1021 CB GLU A 68 4.155 -15.607 8.099 1.00 0.00 C ATOM 1022 CG GLU A 68 4.737 -16.762 7.286 1.00 0.00 C ATOM 1023 CD GLU A 68 5.096 -17.965 8.141 1.00 0.00 C ATOM 1024 OE1 GLU A 68 4.206 -18.798 8.415 1.00 0.00 O ATOM 1025 OE2 GLU A 68 6.271 -18.080 8.548 1.00 0.00 O ATOM 0 H GLU A 68 2.779 -13.285 8.736 1.00 0.00 H new ATOM 0 HA GLU A 68 4.732 -14.119 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.852 -15.349 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.233 -15.940 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.016 -17.065 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.628 -16.417 6.761 1.00 0.00 H new ATOM 1032 N ASP A 69 1.687 -13.694 6.360 1.00 0.00 N ATOM 1033 CA ASP A 69 0.542 -13.750 5.442 1.00 0.00 C ATOM 1034 C ASP A 69 0.901 -13.143 4.075 1.00 0.00 C ATOM 1035 O ASP A 69 0.086 -13.120 3.148 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.652 -13.020 6.058 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.164 -13.722 7.302 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -0.449 -13.723 8.325 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -2.273 -14.296 7.259 1.00 0.00 O ATOM 0 H ASP A 69 1.653 -12.921 7.025 1.00 0.00 H new ATOM 0 HA ASP A 69 0.276 -14.795 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.363 -12.000 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.454 -12.952 5.323 1.00 0.00 H new ATOM 1044 N LEU A 70 2.133 -12.649 3.972 1.00 0.00 N ATOM 1045 CA LEU A 70 2.678 -12.132 2.717 1.00 0.00 C ATOM 1046 C LEU A 70 4.122 -12.615 2.533 1.00 0.00 C ATOM 1047 O LEU A 70 4.765 -13.066 3.486 1.00 0.00 O ATOM 1048 CB LEU A 70 2.628 -10.593 2.678 1.00 0.00 C ATOM 1049 CG LEU A 70 3.630 -9.851 3.587 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.704 -8.377 3.201 1.00 0.00 C ATOM 1051 CD2 LEU A 70 3.253 -9.993 5.063 1.00 0.00 C ATOM 0 H LEU A 70 2.783 -12.596 4.757 1.00 0.00 H new ATOM 0 HA LEU A 70 2.063 -12.511 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.796 -10.272 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.621 -10.277 2.950 1.00 0.00 H new ATOM 0 HG LEU A 70 4.611 -10.305 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.415 -7.866 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.031 -8.288 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.720 -7.922 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.978 -9.459 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.260 -9.574 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.251 -11.048 5.338 1.00 0.00 H new ATOM 1063 N LYS A 71 4.641 -12.515 1.316 1.00 0.00 N ATOM 1064 CA LYS A 71 5.992 -13.000 1.028 1.00 0.00 C ATOM 1065 C LYS A 71 6.881 -11.900 0.437 1.00 0.00 C ATOM 1066 O LYS A 71 6.522 -11.256 -0.551 1.00 0.00 O ATOM 1067 CB LYS A 71 5.928 -14.189 0.064 1.00 0.00 C ATOM 1068 CG LYS A 71 7.256 -14.916 -0.100 1.00 0.00 C ATOM 1069 CD LYS A 71 7.140 -16.106 -1.046 1.00 0.00 C ATOM 1070 CE LYS A 71 8.408 -16.947 -1.038 1.00 0.00 C ATOM 1071 NZ LYS A 71 8.676 -17.520 0.308 1.00 0.00 N ATOM 0 H LYS A 71 4.156 -12.107 0.517 1.00 0.00 H new ATOM 0 HA LYS A 71 6.436 -13.315 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.179 -14.895 0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.594 -13.837 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.005 -14.222 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.605 -15.259 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.290 -16.723 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.943 -15.751 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.315 -17.753 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.254 -16.334 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.305 -18.343 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.131 -16.802 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.780 -17.817 0.744 1.00 0.00 H new ATOM 1085 N TRP A 72 8.038 -11.682 1.056 1.00 0.00 N ATOM 1086 CA TRP A 72 9.038 -10.758 0.514 1.00 0.00 C ATOM 1087 C TRP A 72 9.846 -11.440 -0.599 1.00 0.00 C ATOM 1088 O TRP A 72 10.936 -11.964 -0.366 1.00 0.00 O ATOM 1089 CB TRP A 72 9.973 -10.256 1.624 1.00 0.00 C ATOM 1090 CG TRP A 72 9.296 -9.355 2.614 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.494 -9.730 3.655 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.365 -7.926 2.654 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.058 -8.621 4.335 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.581 -7.501 3.741 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.017 -6.965 1.875 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.428 -6.157 4.068 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.865 -5.630 2.201 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.077 -5.236 3.289 1.00 0.00 C ATOM 0 H TRP A 72 8.309 -12.130 1.931 1.00 0.00 H new ATOM 0 HA TRP A 72 8.518 -9.898 0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.391 -11.113 2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.808 -9.722 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.241 -10.750 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.445 -8.628 5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.628 -7.260 1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.819 -5.851 4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.363 -4.878 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.979 -4.185 3.519 1.00 0.00 H new ATOM 1109 N GLU A 73 9.290 -11.448 -1.806 1.00 0.00 N ATOM 1110 CA GLU A 73 9.902 -12.153 -2.933 1.00 0.00 C ATOM 1111 C GLU A 73 11.075 -11.371 -3.537 1.00 0.00 C ATOM 1112 O GLU A 73 10.888 -10.443 -4.324 1.00 0.00 O ATOM 1113 CB GLU A 73 8.850 -12.450 -4.013 1.00 0.00 C ATOM 1114 CG GLU A 73 7.745 -13.394 -3.548 1.00 0.00 C ATOM 1115 CD GLU A 73 6.764 -13.744 -4.654 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.111 -14.577 -5.518 1.00 0.00 O ATOM 1117 OE2 GLU A 73 5.651 -13.178 -4.673 1.00 0.00 O ATOM 0 H GLU A 73 8.415 -10.974 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 73 10.300 -13.092 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.401 -11.512 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.346 -12.884 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.194 -14.310 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.204 -12.933 -2.721 1.00 0.00 H new ATOM 1124 N ALA A 74 12.286 -11.740 -3.139 1.00 0.00 N ATOM 1125 CA ALA A 74 13.499 -11.192 -3.743 1.00 0.00 C ATOM 1126 C ALA A 74 13.961 -12.089 -4.900 1.00 0.00 C ATOM 1127 O ALA A 74 14.989 -12.771 -4.819 1.00 0.00 O ATOM 1128 CB ALA A 74 14.597 -11.033 -2.694 1.00 0.00 C ATOM 0 H ALA A 74 12.457 -12.419 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 74 13.279 -10.203 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.492 -10.624 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.256 -10.356 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.828 -12.005 -2.259 1.00 0.00 H new ATOM 1134 N SER A 75 13.166 -12.114 -5.966 1.00 0.00 N ATOM 1135 CA SER A 75 13.433 -12.982 -7.123 1.00 0.00 C ATOM 1136 C SER A 75 13.390 -12.197 -8.440 1.00 0.00 C ATOM 1137 O SER A 75 14.428 -11.939 -9.053 1.00 0.00 O ATOM 1138 CB SER A 75 12.415 -14.134 -7.166 1.00 0.00 C ATOM 1139 OG SER A 75 11.086 -13.643 -7.273 1.00 0.00 O ATOM 0 H SER A 75 12.326 -11.542 -6.058 1.00 0.00 H new ATOM 0 HA SER A 75 14.438 -13.389 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.634 -14.785 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.510 -14.740 -6.265 1.00 0.00 H new ATOM 0 HG SER A 75 10.460 -14.397 -7.300 1.00 0.00 H new ATOM 1145 N ARG A 76 12.189 -11.820 -8.872 1.00 0.00 N ATOM 1146 CA ARG A 76 12.006 -11.058 -10.113 1.00 0.00 C ATOM 1147 C ARG A 76 12.529 -9.618 -9.964 1.00 0.00 C ATOM 1148 O ARG A 76 11.873 -8.768 -9.357 1.00 0.00 O ATOM 1149 CB ARG A 76 10.519 -11.036 -10.495 1.00 0.00 C ATOM 1150 CG ARG A 76 10.235 -10.447 -11.875 1.00 0.00 C ATOM 1151 CD ARG A 76 8.751 -10.144 -12.062 1.00 0.00 C ATOM 1152 NE ARG A 76 8.316 -9.047 -11.197 1.00 0.00 N ATOM 1153 CZ ARG A 76 7.165 -8.986 -10.586 1.00 0.00 C ATOM 1154 NH1 ARG A 76 6.298 -9.945 -10.693 1.00 0.00 N ATOM 1155 NH2 ARG A 76 6.890 -7.957 -9.857 1.00 0.00 N ATOM 0 H ARG A 76 11.320 -12.030 -8.380 1.00 0.00 H new ATOM 0 HA ARG A 76 12.579 -11.547 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.132 -12.054 -10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.972 -10.461 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.813 -9.532 -12.007 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.564 -11.146 -12.644 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.559 -9.886 -13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.165 -11.037 -11.842 1.00 0.00 H new ATOM 0 HE ARG A 76 8.963 -8.270 -11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.511 -10.764 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.403 -9.880 -10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.570 -7.202 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.993 -7.899 -9.375 1.00 0.00 H new ATOM 1169 N GLY A 77 13.712 -9.353 -10.512 1.00 0.00 N ATOM 1170 CA GLY A 77 14.319 -8.028 -10.395 1.00 0.00 C ATOM 1171 C GLY A 77 15.468 -7.984 -9.393 1.00 0.00 C ATOM 1172 O GLY A 77 16.292 -7.067 -9.420 1.00 0.00 O ATOM 0 H GLY A 77 14.266 -10.030 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.685 -7.715 -11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.556 -7.310 -10.095 1.00 0.00 H new ATOM 1176 N GLY A 78 15.518 -8.965 -8.497 1.00 0.00 N ATOM 1177 CA GLY A 78 16.601 -9.044 -7.517 1.00 0.00 C ATOM 1178 C GLY A 78 16.287 -8.357 -6.186 1.00 0.00 C ATOM 1179 O GLY A 78 16.734 -8.810 -5.130 1.00 0.00 O ATOM 0 H GLY A 78 14.827 -9.712 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.830 -10.093 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.497 -8.594 -7.944 1.00 0.00 H new ATOM 1183 N ALA A 79 15.524 -7.266 -6.231 1.00 0.00 N ATOM 1184 CA ALA A 79 15.187 -6.502 -5.023 1.00 0.00 C ATOM 1185 C ALA A 79 14.079 -7.184 -4.199 1.00 0.00 C ATOM 1186 O ALA A 79 13.439 -8.132 -4.655 1.00 0.00 O ATOM 1187 CB ALA A 79 14.772 -5.083 -5.401 1.00 0.00 C ATOM 0 H ALA A 79 15.125 -6.888 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 79 16.078 -6.463 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.524 -4.524 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.594 -4.589 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.901 -5.121 -6.055 1.00 0.00 H new ATOM 1193 N ARG A 80 13.858 -6.686 -2.984 1.00 0.00 N ATOM 1194 CA ARG A 80 12.857 -7.257 -2.071 1.00 0.00 C ATOM 1195 C ARG A 80 11.444 -6.718 -2.374 1.00 0.00 C ATOM 1196 O ARG A 80 11.156 -5.540 -2.142 1.00 0.00 O ATOM 1197 CB ARG A 80 13.248 -6.937 -0.618 1.00 0.00 C ATOM 1198 CG ARG A 80 14.675 -7.353 -0.267 1.00 0.00 C ATOM 1199 CD ARG A 80 15.092 -6.877 1.123 1.00 0.00 C ATOM 1200 NE ARG A 80 16.503 -7.159 1.389 1.00 0.00 N ATOM 1201 CZ ARG A 80 17.242 -6.495 2.235 1.00 0.00 C ATOM 1202 NH1 ARG A 80 16.738 -5.529 2.938 1.00 0.00 N ATOM 1203 NH2 ARG A 80 18.493 -6.802 2.373 1.00 0.00 N ATOM 0 H ARG A 80 14.359 -5.884 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 80 12.835 -8.337 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.138 -5.866 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.555 -7.440 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.757 -8.439 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.362 -6.947 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.912 -5.806 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.474 -7.366 1.876 1.00 0.00 H new ATOM 0 HE ARG A 80 16.939 -7.927 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.754 -5.281 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.325 -5.017 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.896 -7.560 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.075 -6.286 3.033 1.00 0.00 H new ATOM 1217 N PHE A 81 10.570 -7.581 -2.900 1.00 0.00 N ATOM 1218 CA PHE A 81 9.201 -7.180 -3.252 1.00 0.00 C ATOM 1219 C PHE A 81 8.145 -7.909 -2.395 1.00 0.00 C ATOM 1220 O PHE A 81 7.888 -9.100 -2.588 1.00 0.00 O ATOM 1221 CB PHE A 81 8.943 -7.448 -4.741 1.00 0.00 C ATOM 1222 CG PHE A 81 9.883 -6.703 -5.654 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.732 -5.339 -5.859 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.920 -7.360 -6.301 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.592 -4.649 -6.691 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.782 -6.673 -7.133 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.618 -5.316 -7.328 1.00 0.00 C ATOM 0 H PHE A 81 10.783 -8.560 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 81 9.109 -6.113 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.034 -8.517 -4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.917 -7.168 -4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.932 -4.810 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.055 -8.421 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.461 -3.588 -6.843 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.584 -7.197 -7.631 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.292 -4.778 -7.978 1.00 0.00 H new ATOM 1237 N PRO A 82 7.527 -7.202 -1.424 1.00 0.00 N ATOM 1238 CA PRO A 82 6.453 -7.770 -0.591 1.00 0.00 C ATOM 1239 C PRO A 82 5.135 -7.960 -1.368 1.00 0.00 C ATOM 1240 O PRO A 82 4.512 -6.993 -1.811 1.00 0.00 O ATOM 1241 CB PRO A 82 6.274 -6.731 0.528 1.00 0.00 C ATOM 1242 CG PRO A 82 6.768 -5.446 -0.053 1.00 0.00 C ATOM 1243 CD PRO A 82 7.842 -5.810 -1.050 1.00 0.00 C ATOM 0 HA PRO A 82 6.710 -8.765 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.229 -6.652 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.842 -7.006 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.957 -4.903 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.166 -4.796 0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.822 -5.150 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.837 -5.730 -0.612 1.00 0.00 H new ATOM 1251 N HIS A 83 4.727 -9.213 -1.546 1.00 0.00 N ATOM 1252 CA HIS A 83 3.444 -9.529 -2.185 1.00 0.00 C ATOM 1253 C HIS A 83 2.440 -10.070 -1.158 1.00 0.00 C ATOM 1254 O HIS A 83 2.681 -11.102 -0.528 1.00 0.00 O ATOM 1255 CB HIS A 83 3.635 -10.550 -3.315 1.00 0.00 C ATOM 1256 CG HIS A 83 4.272 -9.980 -4.545 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.409 -10.500 -5.119 1.00 0.00 N ATOM 1258 CD2 HIS A 83 3.906 -8.938 -5.328 1.00 0.00 C ATOM 1259 CE1 HIS A 83 5.716 -9.809 -6.196 1.00 0.00 C ATOM 1260 NE2 HIS A 83 4.820 -8.855 -6.349 1.00 0.00 N ATOM 0 H HIS A 83 5.264 -10.031 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 83 3.048 -8.606 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.248 -11.373 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.665 -10.969 -3.581 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.934 -11.299 -4.764 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.054 -8.292 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.560 -9.993 -6.845 1.00 0.00 H new ATOM 1269 N LEU A 84 1.326 -9.359 -0.985 1.00 0.00 N ATOM 1270 CA LEU A 84 0.270 -9.778 -0.055 1.00 0.00 C ATOM 1271 C LEU A 84 -0.768 -10.655 -0.780 1.00 0.00 C ATOM 1272 O LEU A 84 -1.465 -10.197 -1.687 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.415 -8.543 0.570 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.704 -8.628 2.085 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.493 -7.409 2.556 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.440 -9.916 2.446 1.00 0.00 C ATOM 0 H LEU A 84 1.128 -8.487 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 84 0.724 -10.366 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.214 -7.671 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.357 -8.371 0.049 1.00 0.00 H new ATOM 0 HG LEU A 84 0.256 -8.640 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.685 -7.491 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.917 -6.505 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.441 -7.360 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.626 -9.940 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.390 -9.954 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.831 -10.775 2.164 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.873 -11.914 -0.366 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.778 -12.874 -1.015 1.00 0.00 C ATOM 1290 C TYR A 85 -3.195 -12.815 -0.419 1.00 0.00 C ATOM 1291 O TYR A 85 -4.050 -13.649 -0.728 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.199 -14.288 -0.879 1.00 0.00 C ATOM 1293 CG TYR A 85 0.234 -14.396 -1.373 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.516 -14.511 -2.730 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.303 -14.366 -0.484 1.00 0.00 C ATOM 1296 CE1 TYR A 85 1.817 -14.596 -3.185 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.607 -14.450 -0.933 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.858 -14.563 -2.283 1.00 0.00 C ATOM 1299 OH TYR A 85 4.158 -14.647 -2.734 1.00 0.00 O ATOM 0 H TYR A 85 -0.344 -12.300 0.417 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.861 -12.609 -2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.240 -14.592 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.823 -14.985 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.297 -14.534 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.111 -14.276 0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.017 -14.688 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.426 -14.427 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 85 4.321 -13.943 -3.396 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.439 -11.812 0.421 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.721 -11.658 1.121 1.00 0.00 C ATOM 1311 C ARG A 86 -5.277 -10.233 0.950 1.00 0.00 C ATOM 1312 O ARG A 86 -4.512 -9.278 0.816 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.540 -11.967 2.615 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.946 -13.344 2.896 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.837 -13.618 4.391 1.00 0.00 C ATOM 1316 NE ARG A 86 -5.129 -13.499 5.062 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.748 -14.483 5.653 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -5.215 -15.663 5.707 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -6.895 -14.279 6.204 1.00 0.00 N ATOM 0 H ARG A 86 -2.759 -11.083 0.638 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.433 -12.359 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.895 -11.207 3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.508 -11.892 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.567 -14.110 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.958 -13.414 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.437 -14.620 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.130 -12.919 4.838 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.578 -12.583 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.302 -15.830 5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.709 -16.425 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.316 -13.350 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.382 -15.046 6.667 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.617 -10.072 0.947 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.260 -8.748 0.822 1.00 0.00 C ATOM 1335 C PRO A 87 -6.999 -7.844 2.039 1.00 0.00 C ATOM 1336 O PRO A 87 -7.172 -8.261 3.185 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.755 -9.088 0.706 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.891 -10.422 1.360 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.612 -11.158 1.061 1.00 0.00 C ATOM 0 HA PRO A 87 -6.870 -8.186 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -9.371 -8.339 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.074 -9.123 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.040 -10.317 2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.753 -10.963 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.355 -11.858 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.686 -11.735 0.139 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.605 -6.597 1.783 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.274 -5.659 2.860 1.00 0.00 C ATOM 1349 C LEU A 88 -7.518 -4.877 3.306 1.00 0.00 C ATOM 1350 O LEU A 88 -8.000 -4.000 2.591 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.154 -4.706 2.388 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.611 -3.700 3.431 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.176 -3.297 3.091 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -5.492 -2.450 3.513 1.00 0.00 C ATOM 0 H LEU A 88 -6.507 -6.212 0.844 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.916 -6.219 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.320 -5.311 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.526 -4.142 1.533 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.625 -4.195 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.811 -2.589 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.540 -4.182 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.153 -2.832 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.082 -1.764 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.518 -1.959 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.503 -2.736 3.802 1.00 0.00 H new ATOM 1366 N LEU A 89 -8.052 -5.211 4.477 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.196 -4.477 5.031 1.00 0.00 C ATOM 1368 C LEU A 89 -8.745 -3.110 5.568 1.00 0.00 C ATOM 1369 O LEU A 89 -7.698 -3.006 6.205 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.860 -5.288 6.153 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.286 -6.718 5.776 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.961 -7.407 6.955 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.207 -6.717 4.560 1.00 0.00 C ATOM 0 H LEU A 89 -7.718 -5.978 5.060 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.923 -4.320 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.169 -5.344 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.740 -4.745 6.498 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.386 -7.276 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.254 -8.417 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.267 -7.456 7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.846 -6.842 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.491 -7.741 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.102 -6.135 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.687 -6.274 3.710 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.529 -2.059 5.326 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.151 -0.717 5.760 1.00 0.00 C ATOM 1387 C VAL A 90 -9.009 -0.631 7.289 1.00 0.00 C ATOM 1388 O VAL A 90 -8.177 0.115 7.806 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.173 0.327 5.261 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.278 0.286 3.740 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -11.539 0.122 5.910 1.00 0.00 C ATOM 0 H VAL A 90 -10.422 -2.111 4.836 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.178 -0.497 5.321 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.817 1.315 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.003 1.028 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.304 0.506 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.602 -0.706 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.235 0.873 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.913 -0.872 5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.446 0.218 6.992 1.00 0.00 H new ATOM 1401 N SER A 91 -9.804 -1.430 8.002 1.00 0.00 N ATOM 1402 CA SER A 91 -9.751 -1.486 9.471 1.00 0.00 C ATOM 1403 C SER A 91 -8.428 -2.093 9.969 1.00 0.00 C ATOM 1404 O SER A 91 -8.103 -2.016 11.156 1.00 0.00 O ATOM 1405 CB SER A 91 -10.923 -2.319 10.009 1.00 0.00 C ATOM 1406 OG SER A 91 -10.867 -3.657 9.530 1.00 0.00 O ATOM 0 H SER A 91 -10.497 -2.052 7.587 1.00 0.00 H new ATOM 0 HA SER A 91 -9.820 -0.463 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.902 -2.319 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.866 -1.862 9.708 1.00 0.00 H new ATOM 0 HG SER A 91 -11.624 -4.165 9.890 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.668 -2.694 9.053 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.399 -3.353 9.395 1.00 0.00 C ATOM 1414 C GLU A 92 -5.209 -2.382 9.285 1.00 0.00 C ATOM 1415 O GLU A 92 -4.169 -2.588 9.912 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.187 -4.566 8.476 1.00 0.00 C ATOM 1417 CG GLU A 92 -4.938 -5.389 8.786 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.872 -6.670 7.964 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.318 -6.645 6.845 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.406 -7.701 8.426 1.00 0.00 O ATOM 0 H GLU A 92 -7.908 -2.740 8.063 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.454 -3.685 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.060 -5.215 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.130 -4.218 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.051 -4.787 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.924 -5.639 9.847 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.379 -1.307 8.515 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.293 -0.346 8.276 1.00 0.00 C ATOM 1429 C VAL A 93 -3.834 0.330 9.581 1.00 0.00 C ATOM 1430 O VAL A 93 -4.619 1.004 10.250 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.724 0.746 7.262 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.572 1.707 6.965 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.245 0.111 5.975 1.00 0.00 C ATOM 0 H VAL A 93 -6.255 -1.077 8.045 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.459 -0.913 7.862 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.533 1.322 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.903 2.462 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.257 2.194 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.734 1.151 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.542 0.894 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.460 -0.497 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.106 -0.518 6.202 1.00 0.00 H new ATOM 1443 N THR A 94 -2.567 0.129 9.950 1.00 0.00 N ATOM 1444 CA THR A 94 -1.997 0.776 11.143 1.00 0.00 C ATOM 1445 C THR A 94 -2.090 2.304 11.041 1.00 0.00 C ATOM 1446 O THR A 94 -2.660 2.965 11.911 1.00 0.00 O ATOM 1447 CB THR A 94 -0.516 0.372 11.362 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.407 -1.054 11.491 1.00 0.00 O ATOM 1449 CG2 THR A 94 0.068 1.039 12.606 1.00 0.00 C ATOM 0 H THR A 94 -1.916 -0.473 9.446 1.00 0.00 H new ATOM 0 HA THR A 94 -2.584 0.433 11.995 1.00 0.00 H new ATOM 0 HB THR A 94 0.050 0.709 10.493 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.023 -1.275 12.365 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.107 0.733 12.729 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.019 2.122 12.495 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.505 0.738 13.483 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.525 2.861 9.972 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.622 4.300 9.711 1.00 0.00 C ATOM 1459 C ARG A 95 -1.715 4.593 8.210 1.00 0.00 C ATOM 1460 O ARG A 95 -1.100 3.915 7.389 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.417 5.046 10.304 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.510 6.567 10.165 1.00 0.00 C ATOM 1463 CD ARG A 95 -1.701 7.133 10.937 1.00 0.00 C ATOM 1464 NE ARG A 95 -1.973 8.531 10.599 1.00 0.00 N ATOM 1465 CZ ARG A 95 -2.493 9.399 11.426 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -2.663 9.106 12.676 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -2.803 10.579 11.006 1.00 0.00 N ATOM 0 H ARG A 95 -0.996 2.341 9.272 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.535 4.652 10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.326 4.791 11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.492 4.699 9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.410 7.023 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.600 6.831 9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.586 6.532 10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.509 7.052 12.007 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.742 8.848 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.390 8.188 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.070 9.793 13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.642 10.832 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.209 11.259 11.649 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.484 5.616 7.866 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.623 6.065 6.476 1.00 0.00 C ATOM 1483 C GLU A 96 -2.080 7.497 6.318 1.00 0.00 C ATOM 1484 O GLU A 96 -2.715 8.467 6.734 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.099 5.978 6.034 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.082 6.631 7.004 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.536 6.502 6.565 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.002 7.330 5.754 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.228 5.572 7.033 1.00 0.00 O ATOM 0 H GLU A 96 -3.029 6.160 8.534 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.036 5.410 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.202 6.450 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.369 4.929 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.965 6.178 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.833 7.687 7.107 1.00 0.00 H new ATOM 1496 N ALA A 97 -0.885 7.623 5.744 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.232 8.930 5.595 1.00 0.00 C ATOM 1498 C ALA A 97 -0.585 9.595 4.258 1.00 0.00 C ATOM 1499 O ALA A 97 -0.124 9.165 3.199 1.00 0.00 O ATOM 1500 CB ALA A 97 1.284 8.787 5.726 1.00 0.00 C ATOM 0 H ALA A 97 -0.347 6.840 5.374 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.602 9.572 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.753 9.765 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.528 8.379 6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.654 8.115 4.951 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.413 10.634 4.310 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.747 11.415 3.117 1.00 0.00 C ATOM 1508 C ASP A 98 -0.509 12.204 2.644 1.00 0.00 C ATOM 1509 O ASP A 98 -0.055 13.131 3.321 1.00 0.00 O ATOM 1510 CB ASP A 98 -2.913 12.363 3.431 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.470 13.045 2.194 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -4.373 12.479 1.549 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.005 14.155 1.856 1.00 0.00 O ATOM 0 H ASP A 98 -1.867 10.957 5.165 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.053 10.744 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.709 11.802 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.577 13.122 4.138 1.00 0.00 H new ATOM 1518 N LEU A 99 0.038 11.820 1.489 1.00 0.00 N ATOM 1519 CA LEU A 99 1.301 12.389 0.997 1.00 0.00 C ATOM 1520 C LEU A 99 1.195 13.897 0.716 1.00 0.00 C ATOM 1521 O LEU A 99 0.412 14.341 -0.125 1.00 0.00 O ATOM 1522 CB LEU A 99 1.777 11.633 -0.254 1.00 0.00 C ATOM 1523 CG LEU A 99 2.136 10.154 -0.015 1.00 0.00 C ATOM 1524 CD1 LEU A 99 2.622 9.490 -1.301 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.185 10.021 1.088 1.00 0.00 C ATOM 0 H LEU A 99 -0.372 11.117 0.874 1.00 0.00 H new ATOM 0 HA LEU A 99 2.041 12.267 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.996 11.685 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.650 12.144 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 99 1.231 9.640 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.868 8.447 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.837 9.540 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.509 10.009 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.423 8.968 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.088 10.559 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.794 10.441 2.015 1.00 0.00 H new ATOM 1537 N ASP A 100 2.011 14.667 1.428 1.00 0.00 N ATOM 1538 CA ASP A 100 1.994 16.130 1.355 1.00 0.00 C ATOM 1539 C ASP A 100 2.565 16.663 0.029 1.00 0.00 C ATOM 1540 O ASP A 100 2.011 17.594 -0.561 1.00 0.00 O ATOM 1541 CB ASP A 100 2.776 16.702 2.546 1.00 0.00 C ATOM 1542 CG ASP A 100 4.216 16.202 2.607 1.00 0.00 C ATOM 1543 OD1 ASP A 100 4.429 14.969 2.606 1.00 0.00 O ATOM 1544 OD2 ASP A 100 5.143 17.036 2.643 1.00 0.00 O ATOM 0 H ASP A 100 2.707 14.296 2.075 1.00 0.00 H new ATOM 0 HA ASP A 100 0.955 16.456 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.777 17.790 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.265 16.436 3.471 1.00 0.00 H new ATOM 1549 N LEU A 101 3.668 16.058 -0.423 1.00 0.00 N ATOM 1550 CA LEU A 101 4.377 16.477 -1.651 1.00 0.00 C ATOM 1551 C LEU A 101 5.045 17.855 -1.485 1.00 0.00 C ATOM 1552 O LEU A 101 4.428 18.803 -0.998 1.00 0.00 O ATOM 1553 CB LEU A 101 3.429 16.518 -2.865 1.00 0.00 C ATOM 1554 CG LEU A 101 2.658 15.221 -3.164 1.00 0.00 C ATOM 1555 CD1 LEU A 101 1.774 15.399 -4.395 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.614 14.047 -3.350 1.00 0.00 C ATOM 0 H LEU A 101 4.100 15.263 0.048 1.00 0.00 H new ATOM 0 HA LEU A 101 5.151 15.730 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.706 17.319 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.012 16.782 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 101 2.019 15.000 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.235 14.472 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.060 16.203 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.395 15.649 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.043 13.143 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.286 14.254 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.197 13.905 -2.440 1.00 0.00 H new ATOM 1568 N ASP A 102 6.310 17.970 -1.888 1.00 0.00 N ATOM 1569 CA ASP A 102 7.006 19.264 -1.850 1.00 0.00 C ATOM 1570 C ASP A 102 7.892 19.476 -3.091 1.00 0.00 C ATOM 1571 O ASP A 102 8.215 18.529 -3.819 1.00 0.00 O ATOM 1572 CB ASP A 102 7.856 19.375 -0.573 1.00 0.00 C ATOM 1573 CG ASP A 102 8.353 20.791 -0.326 1.00 0.00 C ATOM 1574 OD1 ASP A 102 7.560 21.626 0.151 1.00 0.00 O ATOM 1575 OD2 ASP A 102 9.531 21.084 -0.625 1.00 0.00 O ATOM 0 H ASP A 102 6.872 17.195 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 102 6.245 20.044 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.266 19.046 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.710 18.702 -0.649 1.00 0.00 H new ATOM 1580 N ALA A 103 8.259 20.740 -3.321 1.00 0.00 N ATOM 1581 CA ALA A 103 9.186 21.138 -4.390 1.00 0.00 C ATOM 1582 C ALA A 103 8.703 20.745 -5.801 1.00 0.00 C ATOM 1583 O ALA A 103 8.154 21.570 -6.528 1.00 0.00 O ATOM 1584 CB ALA A 103 10.579 20.575 -4.121 1.00 0.00 C ATOM 0 H ALA A 103 7.919 21.525 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 103 9.224 22.227 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.255 20.878 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.949 20.958 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.530 19.487 -4.080 1.00 0.00 H new ATOM 1590 N ASP A 104 8.892 19.480 -6.176 1.00 0.00 N ATOM 1591 CA ASP A 104 8.648 19.028 -7.555 1.00 0.00 C ATOM 1592 C ASP A 104 7.351 18.212 -7.678 1.00 0.00 C ATOM 1593 O ASP A 104 7.105 17.577 -8.706 1.00 0.00 O ATOM 1594 CB ASP A 104 9.825 18.168 -8.025 1.00 0.00 C ATOM 1595 CG ASP A 104 11.167 18.819 -7.758 1.00 0.00 C ATOM 1596 OD1 ASP A 104 11.644 19.591 -8.609 1.00 0.00 O ATOM 1597 OD2 ASP A 104 11.761 18.554 -6.693 1.00 0.00 O ATOM 0 H ASP A 104 9.214 18.745 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 104 8.545 19.917 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.788 17.202 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.725 17.975 -9.093 1.00 0.00 H new ATOM 1602 N GLY A 105 6.522 18.229 -6.638 1.00 0.00 N ATOM 1603 CA GLY A 105 5.345 17.367 -6.619 1.00 0.00 C ATOM 1604 C GLY A 105 5.713 15.901 -6.417 1.00 0.00 C ATOM 1605 O GLY A 105 5.036 14.995 -6.907 1.00 0.00 O ATOM 0 H GLY A 105 6.639 18.817 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.675 17.686 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.799 17.478 -7.556 1.00 0.00 H new ATOM 1609 N VAL A 106 6.814 15.684 -5.704 1.00 0.00 N ATOM 1610 CA VAL A 106 7.311 14.343 -5.387 1.00 0.00 C ATOM 1611 C VAL A 106 7.171 14.073 -3.880 1.00 0.00 C ATOM 1612 O VAL A 106 7.339 14.987 -3.078 1.00 0.00 O ATOM 1613 CB VAL A 106 8.807 14.205 -5.796 1.00 0.00 C ATOM 1614 CG1 VAL A 106 9.352 12.812 -5.482 1.00 0.00 C ATOM 1615 CG2 VAL A 106 8.999 14.538 -7.275 1.00 0.00 C ATOM 0 H VAL A 106 7.392 16.435 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 106 6.720 13.617 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 106 9.375 14.922 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.398 12.755 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.270 12.622 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.777 12.065 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.052 14.435 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.405 13.855 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.677 15.563 -7.462 1.00 0.00 H new ATOM 1625 N PRO A 107 6.820 12.839 -3.468 1.00 0.00 N ATOM 1626 CA PRO A 107 6.793 12.467 -2.043 1.00 0.00 C ATOM 1627 C PRO A 107 8.206 12.329 -1.437 1.00 0.00 C ATOM 1628 O PRO A 107 8.908 11.343 -1.687 1.00 0.00 O ATOM 1629 CB PRO A 107 6.062 11.106 -2.032 1.00 0.00 C ATOM 1630 CG PRO A 107 5.478 10.951 -3.403 1.00 0.00 C ATOM 1631 CD PRO A 107 6.372 11.731 -4.326 1.00 0.00 C ATOM 0 HA PRO A 107 6.303 13.231 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.751 10.293 -1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.283 11.086 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.438 9.901 -3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.457 11.330 -3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.208 11.131 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.836 12.089 -5.205 1.00 0.00 H new ATOM 1639 N GLN A 108 8.633 13.325 -0.658 1.00 0.00 N ATOM 1640 CA GLN A 108 9.947 13.278 -0.001 1.00 0.00 C ATOM 1641 C GLN A 108 9.910 12.430 1.281 1.00 0.00 C ATOM 1642 O GLN A 108 9.802 12.956 2.391 1.00 0.00 O ATOM 1643 CB GLN A 108 10.465 14.690 0.339 1.00 0.00 C ATOM 1644 CG GLN A 108 10.810 15.564 -0.868 1.00 0.00 C ATOM 1645 CD GLN A 108 9.587 16.071 -1.612 1.00 0.00 C ATOM 1646 OE1 GLN A 108 8.521 16.252 -1.035 1.00 0.00 O ATOM 1647 NE2 GLN A 108 9.731 16.323 -2.895 1.00 0.00 N ATOM 0 H GLN A 108 8.095 14.170 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 108 10.629 12.814 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.710 15.203 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.353 14.593 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.402 16.416 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.434 14.992 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.630 16.163 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.943 16.679 -3.436 1.00 0.00 H new ATOM 1656 N LEU A 109 9.989 11.113 1.130 1.00 0.00 N ATOM 1657 CA LEU A 109 10.085 10.213 2.284 1.00 0.00 C ATOM 1658 C LEU A 109 11.411 10.418 3.028 1.00 0.00 C ATOM 1659 O LEU A 109 11.496 10.185 4.230 1.00 0.00 O ATOM 1660 CB LEU A 109 9.931 8.743 1.858 1.00 0.00 C ATOM 1661 CG LEU A 109 8.484 8.247 1.691 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.726 9.076 0.657 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.466 6.767 1.319 1.00 0.00 C ATOM 0 H LEU A 109 9.989 10.642 0.226 1.00 0.00 H new ATOM 0 HA LEU A 109 9.267 10.457 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.456 8.600 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.428 8.115 2.597 1.00 0.00 H new ATOM 0 HG LEU A 109 7.975 8.370 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.708 8.699 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.699 10.118 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.229 9.004 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.435 6.433 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.001 6.621 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.950 6.188 2.106 1.00 0.00 H new ATOM 1675 N GLY A 110 12.431 10.880 2.307 1.00 0.00 N ATOM 1676 CA GLY A 110 13.723 11.182 2.923 1.00 0.00 C ATOM 1677 C GLY A 110 13.629 12.201 4.058 1.00 0.00 C ATOM 1678 O GLY A 110 14.501 12.258 4.924 1.00 0.00 O ATOM 0 H GLY A 110 12.390 11.053 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 110 14.159 10.260 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.402 11.561 2.159 1.00 0.00 H new ATOM 1682 N ASP A 111 12.574 13.018 4.049 1.00 0.00 N ATOM 1683 CA ASP A 111 12.325 13.972 5.136 1.00 0.00 C ATOM 1684 C ASP A 111 11.286 13.432 6.137 1.00 0.00 C ATOM 1685 O ASP A 111 11.109 13.988 7.221 1.00 0.00 O ATOM 1686 CB ASP A 111 11.872 15.317 4.561 1.00 0.00 C ATOM 1687 CG ASP A 111 12.955 15.960 3.719 1.00 0.00 C ATOM 1688 OD1 ASP A 111 13.933 16.478 4.298 1.00 0.00 O ATOM 1689 OD2 ASP A 111 12.847 15.936 2.477 1.00 0.00 O ATOM 0 H ASP A 111 11.878 13.040 3.303 1.00 0.00 H new ATOM 0 HA ASP A 111 13.259 14.115 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.978 15.171 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.598 15.987 5.376 1.00 0.00 H new ATOM 1694 N HIS A 112 10.606 12.346 5.767 1.00 0.00 N ATOM 1695 CA HIS A 112 9.632 11.689 6.653 1.00 0.00 C ATOM 1696 C HIS A 112 10.304 10.627 7.541 1.00 0.00 C ATOM 1697 O HIS A 112 9.951 10.467 8.709 1.00 0.00 O ATOM 1698 CB HIS A 112 8.509 11.029 5.836 1.00 0.00 C ATOM 1699 CG HIS A 112 7.513 11.991 5.261 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.592 12.669 6.028 1.00 0.00 N ATOM 1701 CD2 HIS A 112 7.280 12.365 3.984 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.831 13.408 5.249 1.00 0.00 C ATOM 1703 NE2 HIS A 112 6.228 13.249 4.003 1.00 0.00 N ATOM 0 H HIS A 112 10.710 11.898 4.857 1.00 0.00 H new ATOM 0 HA HIS A 112 9.208 12.463 7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.956 10.458 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.983 10.318 6.473 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.820 12.031 3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 112 5.018 14.039 5.576 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.822 13.707 3.187 1.00 0.00 H new ATOM 1712 N LEU A 113 11.268 9.907 6.973 1.00 0.00 N ATOM 1713 CA LEU A 113 11.930 8.799 7.671 1.00 0.00 C ATOM 1714 C LEU A 113 13.120 9.299 8.513 1.00 0.00 C ATOM 1715 O LEU A 113 13.327 10.504 8.663 1.00 0.00 O ATOM 1716 CB LEU A 113 12.405 7.740 6.655 1.00 0.00 C ATOM 1717 CG LEU A 113 11.392 7.367 5.552 1.00 0.00 C ATOM 1718 CD1 LEU A 113 11.902 6.188 4.727 1.00 0.00 C ATOM 1719 CD2 LEU A 113 10.011 7.071 6.142 1.00 0.00 C ATOM 0 H LEU A 113 11.612 10.069 6.027 1.00 0.00 H new ATOM 0 HA LEU A 113 11.206 8.346 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.315 8.104 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.670 6.834 7.200 1.00 0.00 H new ATOM 0 HG LEU A 113 11.287 8.225 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.173 5.941 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.850 6.454 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.048 5.325 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.320 6.812 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.085 6.238 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.643 7.953 6.667 1.00 0.00 H new ATOM 1731 N ALA A 114 13.899 8.371 9.065 1.00 0.00 N ATOM 1732 CA ALA A 114 15.061 8.730 9.888 1.00 0.00 C ATOM 1733 C ALA A 114 16.231 9.251 9.032 1.00 0.00 C ATOM 1734 O ALA A 114 17.241 8.563 8.854 1.00 0.00 O ATOM 1735 CB ALA A 114 15.498 7.538 10.732 1.00 0.00 C ATOM 0 H ALA A 114 13.751 7.367 8.960 1.00 0.00 H new ATOM 0 HA ALA A 114 14.761 9.541 10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.360 7.817 11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.679 7.235 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.767 6.708 10.078 1.00 0.00 H new ATOM 1741 N LEU A 115 16.070 10.466 8.500 1.00 0.00 N ATOM 1742 CA LEU A 115 17.086 11.116 7.656 1.00 0.00 C ATOM 1743 C LEU A 115 17.454 10.262 6.426 1.00 0.00 C ATOM 1744 O LEU A 115 16.863 10.421 5.357 1.00 0.00 O ATOM 1745 CB LEU A 115 18.335 11.462 8.483 1.00 0.00 C ATOM 1746 CG LEU A 115 18.090 12.405 9.675 1.00 0.00 C ATOM 1747 CD1 LEU A 115 19.377 12.641 10.458 1.00 0.00 C ATOM 1748 CD2 LEU A 115 17.495 13.732 9.206 1.00 0.00 C ATOM 0 H LEU A 115 15.232 11.030 8.640 1.00 0.00 H new ATOM 0 HA LEU A 115 16.652 12.042 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 115 18.772 10.536 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.073 11.919 7.824 1.00 0.00 H new ATOM 0 HG LEU A 115 17.372 11.924 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 115 19.176 13.310 11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 115 19.752 11.690 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 115 20.123 13.091 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 115 17.331 14.381 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.184 14.215 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 115 16.545 13.548 8.704 1.00 0.00 H new ATOM 1760 N GLU A 116 18.439 9.369 6.583 1.00 0.00 N ATOM 1761 CA GLU A 116 18.861 8.446 5.507 1.00 0.00 C ATOM 1762 C GLU A 116 19.299 9.200 4.227 1.00 0.00 C ATOM 1763 O GLU A 116 19.510 8.601 3.172 1.00 0.00 O ATOM 1764 CB GLU A 116 17.711 7.467 5.188 1.00 0.00 C ATOM 1765 CG GLU A 116 18.135 6.210 4.425 1.00 0.00 C ATOM 1766 CD GLU A 116 18.950 5.249 5.280 1.00 0.00 C ATOM 1767 OE1 GLU A 116 18.344 4.394 5.963 1.00 0.00 O ATOM 1768 OE2 GLU A 116 20.196 5.347 5.285 1.00 0.00 O ATOM 0 H GLU A 116 18.966 9.261 7.450 1.00 0.00 H new ATOM 0 HA GLU A 116 19.730 7.892 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.238 7.166 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.956 7.993 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.247 5.697 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.721 6.500 3.553 1.00 0.00 H new TER 1775 GLU A 116