USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= -2.29! C(o=-2.2!,f=-6.4!) USER MOD Set 1.2: A 59 SER OG : rot 96:sc= 0.134 USER MOD Set 2.1: A 53 SER OG : rot -104:sc= 0.806 USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.12 (180deg=-0.173) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.832 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 15 SER OG : rot -135:sc= 1.39 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.213 F(o=-1.6,f=-0.21) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.39) USER MOD Single : A 51 ASN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.057) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 82 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.54) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.665 22.036 -20.187 1.00 0.00 N ATOM 2 CA MET A 1 12.649 21.945 -19.114 1.00 0.00 C ATOM 3 C MET A 1 12.007 22.114 -17.757 1.00 0.00 C ATOM 4 O MET A 1 12.660 21.940 -16.711 1.00 0.00 O ATOM 5 CB MET A 1 13.770 22.998 -19.332 1.00 0.00 C ATOM 6 CG MET A 1 13.370 24.256 -20.133 1.00 0.00 C ATOM 7 SD MET A 1 14.637 25.522 -19.953 1.00 0.00 S ATOM 8 CE MET A 1 14.064 26.656 -21.224 1.00 0.00 C ATOM 0 H1 MET A 1 12.146 21.966 -21.106 1.00 0.00 H new ATOM 0 H2 MET A 1 10.979 21.260 -20.096 1.00 0.00 H new ATOM 0 H3 MET A 1 11.167 22.947 -20.125 1.00 0.00 H new ATOM 0 HA MET A 1 13.091 20.949 -19.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.138 23.315 -18.356 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.601 22.514 -19.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.243 24.003 -21.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.411 24.635 -19.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.729 27.519 -21.268 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.062 26.150 -22.189 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.053 26.988 -20.986 1.00 0.00 H new ATOM 9 N LYS A 2 10.589 22.530 -17.718 1.00 0.00 N ATOM 10 CA LYS A 2 9.889 22.770 -16.458 1.00 0.00 C ATOM 11 C LYS A 2 8.710 21.838 -16.308 1.00 0.00 C ATOM 12 O LYS A 2 8.559 21.133 -15.301 1.00 0.00 O ATOM 13 CB LYS A 2 9.437 24.255 -16.395 1.00 0.00 C ATOM 14 CG LYS A 2 8.637 24.602 -15.115 1.00 0.00 C ATOM 15 CD LYS A 2 8.849 26.025 -14.590 1.00 0.00 C ATOM 16 CE LYS A 2 8.715 27.018 -15.753 1.00 0.00 C ATOM 17 NZ LYS A 2 8.326 28.338 -15.228 1.00 0.00 N ATOM 0 H LYS A 2 10.017 22.674 -18.550 1.00 0.00 H new ATOM 0 HA LYS A 2 10.568 22.570 -15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.316 24.897 -16.450 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.824 24.478 -17.269 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.576 24.459 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.910 23.896 -14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.116 26.253 -13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.834 26.113 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.659 27.093 -16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.969 26.663 -16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.235 29.012 -16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.415 28.260 -14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.053 28.676 -14.565 1.00 0.00 H new ATOM 18 N LYS A 3 7.725 21.842 -17.413 1.00 0.00 N ATOM 19 CA LYS A 3 6.587 20.929 -17.434 1.00 0.00 C ATOM 20 C LYS A 3 7.048 19.490 -17.402 1.00 0.00 C ATOM 21 O LYS A 3 7.459 18.915 -18.419 1.00 0.00 O ATOM 22 CB LYS A 3 5.718 21.205 -18.692 1.00 0.00 C ATOM 23 CG LYS A 3 4.651 20.114 -18.956 1.00 0.00 C ATOM 24 CD LYS A 3 3.793 19.744 -17.742 1.00 0.00 C ATOM 25 CE LYS A 3 2.452 19.176 -18.225 1.00 0.00 C ATOM 26 NZ LYS A 3 1.985 18.149 -17.277 1.00 0.00 N ATOM 0 H LYS A 3 7.775 22.469 -18.216 1.00 0.00 H new ATOM 0 HA LYS A 3 5.982 21.100 -16.543 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.221 22.168 -18.576 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.368 21.285 -19.563 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.994 20.455 -19.756 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.152 19.215 -19.316 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.312 19.010 -17.126 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.626 20.622 -17.119 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.714 19.974 -18.306 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.564 18.744 -19.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.076 17.763 -17.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.686 17.383 -17.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.863 18.575 -16.336 1.00 0.00 H new ATOM 27 N ALA A 4 6.967 18.805 -16.094 1.00 0.00 N ATOM 28 CA ALA A 4 7.449 17.440 -15.904 1.00 0.00 C ATOM 29 C ALA A 4 6.527 16.443 -16.565 1.00 0.00 C ATOM 30 O ALA A 4 5.332 16.351 -16.251 1.00 0.00 O ATOM 31 CB ALA A 4 7.594 17.204 -14.391 1.00 0.00 C ATOM 0 H ALA A 4 6.577 19.232 -15.254 1.00 0.00 H new ATOM 0 HA ALA A 4 8.419 17.301 -16.381 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.953 16.190 -14.214 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.306 17.919 -13.978 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.626 17.335 -13.908 1.00 0.00 H new ATOM 32 N THR A 5 7.120 15.610 -17.634 1.00 0.00 N ATOM 33 CA THR A 5 6.349 14.588 -18.336 1.00 0.00 C ATOM 34 C THR A 5 6.994 13.229 -18.205 1.00 0.00 C ATOM 35 O THR A 5 6.323 12.186 -18.226 1.00 0.00 O ATOM 36 CB THR A 5 6.168 14.973 -19.843 1.00 0.00 C ATOM 37 OG1 THR A 5 7.417 14.929 -20.522 1.00 0.00 O ATOM 38 CG2 THR A 5 5.623 16.389 -20.127 1.00 0.00 C ATOM 0 H THR A 5 8.088 15.692 -17.946 1.00 0.00 H new ATOM 0 HA THR A 5 5.364 14.534 -17.873 1.00 0.00 H new ATOM 0 HB THR A 5 5.436 14.242 -20.187 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.287 15.170 -21.463 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.542 16.538 -21.204 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.640 16.499 -19.670 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.303 17.131 -19.708 1.00 0.00 H new ATOM 39 N CYS A 6 8.468 13.203 -18.088 1.00 0.00 N ATOM 40 CA CYS A 6 9.216 11.947 -18.054 1.00 0.00 C ATOM 41 C CYS A 6 9.081 11.278 -16.708 1.00 0.00 C ATOM 42 O CYS A 6 7.980 10.839 -16.320 1.00 0.00 O ATOM 43 CB CYS A 6 10.675 12.236 -18.457 1.00 0.00 C ATOM 44 SG CYS A 6 11.581 10.698 -18.734 1.00 0.00 S ATOM 0 H CYS A 6 9.048 14.040 -18.025 1.00 0.00 H new ATOM 0 HA CYS A 6 8.808 11.235 -18.771 1.00 0.00 H new ATOM 0 HB2 CYS A 6 10.694 12.842 -19.363 1.00 0.00 H new ATOM 0 HB3 CYS A 6 11.165 12.816 -17.675 1.00 0.00 H new ATOM 0 HG CYS A 6 12.806 10.971 -19.074 1.00 0.00 H new ATOM 45 N LEU A 7 10.289 11.165 -15.863 1.00 0.00 N ATOM 46 CA LEU A 7 10.286 10.409 -14.612 1.00 0.00 C ATOM 47 C LEU A 7 9.803 11.265 -13.465 1.00 0.00 C ATOM 48 O LEU A 7 10.541 12.096 -12.916 1.00 0.00 O ATOM 49 CB LEU A 7 11.698 9.828 -14.317 1.00 0.00 C ATOM 50 CG LEU A 7 12.912 10.796 -14.331 1.00 0.00 C ATOM 51 CD1 LEU A 7 14.021 10.262 -13.414 1.00 0.00 C ATOM 52 CD2 LEU A 7 13.473 11.026 -15.743 1.00 0.00 C ATOM 0 H LEU A 7 11.185 11.597 -16.091 1.00 0.00 H new ATOM 0 HA LEU A 7 9.593 9.575 -14.721 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.663 9.353 -13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.892 9.041 -15.046 1.00 0.00 H new ATOM 0 HG LEU A 7 12.554 11.758 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.868 10.948 -13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.642 10.178 -12.396 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.342 9.281 -13.764 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.320 11.711 -15.691 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.800 10.075 -16.164 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.697 11.456 -16.377 1.00 0.00 H new ATOM 53 N THR A 8 8.392 11.087 -13.057 1.00 0.00 N ATOM 54 CA THR A 8 7.849 11.728 -11.863 1.00 0.00 C ATOM 55 C THR A 8 6.797 10.862 -11.211 1.00 0.00 C ATOM 56 O THR A 8 7.063 10.148 -10.229 1.00 0.00 O ATOM 57 CB THR A 8 7.283 13.146 -12.206 1.00 0.00 C ATOM 58 OG1 THR A 8 6.678 13.146 -13.492 1.00 0.00 O ATOM 59 CG2 THR A 8 8.313 14.297 -12.266 1.00 0.00 C ATOM 0 H THR A 8 7.720 10.518 -13.571 1.00 0.00 H new ATOM 0 HA THR A 8 8.661 11.854 -11.147 1.00 0.00 H new ATOM 0 HB THR A 8 6.596 13.330 -11.380 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.328 14.040 -13.689 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.803 15.229 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.804 14.396 -11.298 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.058 14.079 -13.031 1.00 0.00 H new ATOM 60 N ASP A 9 5.449 10.873 -11.818 1.00 0.00 N ATOM 61 CA ASP A 9 4.385 9.990 -11.343 1.00 0.00 C ATOM 62 C ASP A 9 4.621 8.572 -11.808 1.00 0.00 C ATOM 63 O ASP A 9 4.384 7.598 -11.080 1.00 0.00 O ATOM 64 CB ASP A 9 2.999 10.525 -11.784 1.00 0.00 C ATOM 65 CG ASP A 9 1.917 10.615 -10.697 1.00 0.00 C ATOM 66 OD1 ASP A 9 1.796 9.783 -9.809 1.00 0.00 O ATOM 67 OD2 ASP A 9 1.133 11.727 -10.819 1.00 0.00 O ATOM 0 H ASP A 9 5.177 11.482 -12.590 1.00 0.00 H new ATOM 0 HA ASP A 9 4.397 9.977 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.137 11.519 -12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.626 9.885 -12.584 1.00 0.00 H new ATOM 68 N ASP A 10 5.176 8.414 -13.170 1.00 0.00 N ATOM 69 CA ASP A 10 5.612 7.115 -13.679 1.00 0.00 C ATOM 70 C ASP A 10 6.486 6.412 -12.666 1.00 0.00 C ATOM 71 O ASP A 10 6.060 5.485 -11.964 1.00 0.00 O ATOM 72 CB ASP A 10 6.325 7.286 -15.045 1.00 0.00 C ATOM 73 CG ASP A 10 6.451 6.030 -15.920 1.00 0.00 C ATOM 74 OD1 ASP A 10 6.330 4.896 -15.481 1.00 0.00 O ATOM 75 OD2 ASP A 10 6.703 6.322 -17.232 1.00 0.00 O ATOM 0 H ASP A 10 5.289 9.183 -13.830 1.00 0.00 H new ATOM 0 HA ASP A 10 4.738 6.484 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.790 8.045 -15.615 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.327 7.673 -14.860 1.00 0.00 H new ATOM 76 N GLN A 11 7.868 6.924 -12.530 1.00 0.00 N ATOM 77 CA GLN A 11 8.860 6.280 -11.674 1.00 0.00 C ATOM 78 C GLN A 11 8.277 5.937 -10.323 1.00 0.00 C ATOM 79 O GLN A 11 8.532 4.868 -9.751 1.00 0.00 O ATOM 80 CB GLN A 11 10.069 7.231 -11.522 1.00 0.00 C ATOM 81 CG GLN A 11 10.029 8.204 -10.297 1.00 0.00 C ATOM 82 CD GLN A 11 11.330 8.859 -9.815 1.00 0.00 C ATOM 83 OE1 GLN A 11 11.376 10.050 -9.551 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.408 8.134 -9.658 1.00 0.00 N ATOM 0 H GLN A 11 8.214 7.750 -13.019 1.00 0.00 H new ATOM 0 HA GLN A 11 9.180 5.344 -12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.974 6.627 -11.451 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.153 7.827 -12.431 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.329 9.004 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.608 7.654 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.388 7.137 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.268 8.566 -9.320 1.00 0.00 H new ATOM 85 N ARG A 12 7.419 6.968 -9.703 1.00 0.00 N ATOM 86 CA ARG A 12 6.830 6.829 -8.376 1.00 0.00 C ATOM 87 C ARG A 12 6.022 5.565 -8.218 1.00 0.00 C ATOM 88 O ARG A 12 6.428 4.543 -7.618 1.00 0.00 O ATOM 89 CB ARG A 12 5.925 8.078 -8.116 1.00 0.00 C ATOM 90 CG ARG A 12 6.617 9.270 -7.409 1.00 0.00 C ATOM 91 CD ARG A 12 5.614 10.315 -6.902 1.00 0.00 C ATOM 92 NE ARG A 12 5.837 11.579 -7.649 1.00 0.00 N ATOM 93 CZ ARG A 12 6.884 12.381 -7.509 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.871 12.163 -6.691 1.00 0.00 N ATOM 95 NH2 ARG A 12 6.919 13.443 -8.233 1.00 0.00 N ATOM 0 H ARG A 12 7.183 7.846 -10.165 1.00 0.00 H new ATOM 0 HA ARG A 12 7.639 6.765 -7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.531 8.424 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.072 7.767 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.205 8.899 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.313 9.745 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.593 9.963 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.745 10.478 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 12 5.125 11.853 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.872 11.329 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.645 12.826 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.159 13.642 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.706 14.087 -8.156 1.00 0.00 H new ATOM 96 N TRP A 13 4.657 5.603 -8.813 1.00 0.00 N ATOM 97 CA TRP A 13 3.708 4.526 -8.562 1.00 0.00 C ATOM 98 C TRP A 13 4.175 3.252 -9.238 1.00 0.00 C ATOM 99 O TRP A 13 3.811 2.137 -8.842 1.00 0.00 O ATOM 100 CB TRP A 13 2.288 4.894 -9.083 1.00 0.00 C ATOM 101 CG TRP A 13 1.458 3.612 -9.305 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.193 3.006 -10.548 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.934 2.778 -8.344 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.501 1.790 -10.386 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.360 1.666 -9.010 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.924 2.860 -6.927 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.227 0.626 -8.256 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.320 1.830 -6.207 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.248 0.727 -6.863 1.00 0.00 C ATOM 0 H TRP A 13 4.308 6.352 -9.411 1.00 0.00 H new ATOM 0 HA TRP A 13 3.655 4.373 -7.484 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.785 5.543 -8.366 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.367 5.452 -10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.483 3.420 -11.502 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.178 1.149 -11.111 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.374 3.700 -6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.653 -0.235 -8.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.289 1.882 -5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.709 -0.057 -6.281 1.00 0.00 H new ATOM 110 N GLN A 14 5.053 3.423 -10.418 1.00 0.00 N ATOM 111 CA GLN A 14 5.725 2.280 -11.039 1.00 0.00 C ATOM 112 C GLN A 14 6.608 1.594 -10.017 1.00 0.00 C ATOM 113 O GLN A 14 6.695 0.362 -9.945 1.00 0.00 O ATOM 114 CB GLN A 14 6.544 2.762 -12.252 1.00 0.00 C ATOM 115 CG GLN A 14 7.228 1.648 -13.113 1.00 0.00 C ATOM 116 CD GLN A 14 8.558 1.953 -13.814 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.474 2.499 -13.219 1.00 0.00 O ATOM 118 NE2 GLN A 14 8.728 1.620 -15.068 1.00 0.00 N ATOM 0 H GLN A 14 5.243 4.320 -10.864 1.00 0.00 H new ATOM 0 HA GLN A 14 4.987 1.559 -11.390 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.886 3.341 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.318 3.442 -11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.389 0.786 -12.466 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.516 1.343 -13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.974 1.163 -15.581 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.614 1.817 -15.532 1.00 0.00 H new ATOM 119 N SER A 15 7.381 2.495 -9.127 1.00 0.00 N ATOM 120 CA SER A 15 8.117 1.972 -7.977 1.00 0.00 C ATOM 121 C SER A 15 7.244 0.993 -7.218 1.00 0.00 C ATOM 122 O SER A 15 7.719 -0.023 -6.694 1.00 0.00 O ATOM 123 CB SER A 15 8.665 3.094 -7.064 1.00 0.00 C ATOM 124 OG SER A 15 9.065 2.619 -5.773 1.00 0.00 O ATOM 0 H SER A 15 7.449 3.505 -9.252 1.00 0.00 H new ATOM 0 HA SER A 15 8.995 1.443 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.517 3.568 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.901 3.862 -6.942 1.00 0.00 H new ATOM 0 HG SER A 15 8.730 3.228 -5.082 1.00 0.00 H new ATOM 125 N VAL A 16 5.797 1.347 -7.109 1.00 0.00 N ATOM 126 CA VAL A 16 4.852 0.379 -6.561 1.00 0.00 C ATOM 127 C VAL A 16 4.648 -0.823 -7.452 1.00 0.00 C ATOM 128 O VAL A 16 4.806 -1.995 -7.026 1.00 0.00 O ATOM 129 CB VAL A 16 3.473 1.020 -6.150 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.705 0.289 -4.999 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.570 2.492 -5.686 1.00 0.00 C ATOM 0 H VAL A 16 5.391 2.239 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 16 5.324 0.023 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 16 2.930 0.926 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.771 0.812 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.489 -0.736 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.320 0.281 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.577 2.856 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.224 2.557 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.977 3.102 -6.493 1.00 0.00 H new ATOM 132 N LEU A 17 4.207 -0.595 -8.843 1.00 0.00 N ATOM 133 CA LEU A 17 3.806 -1.696 -9.737 1.00 0.00 C ATOM 134 C LEU A 17 4.779 -2.840 -9.624 1.00 0.00 C ATOM 135 O LEU A 17 4.421 -4.023 -9.579 1.00 0.00 O ATOM 136 CB LEU A 17 3.729 -1.195 -11.210 1.00 0.00 C ATOM 137 CG LEU A 17 2.459 -0.382 -11.600 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.374 -0.225 -13.122 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.170 -1.032 -11.072 1.00 0.00 C ATOM 0 H LEU A 17 4.151 0.329 -9.272 1.00 0.00 H new ATOM 0 HA LEU A 17 2.819 -2.047 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.604 -0.576 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.796 -2.061 -11.869 1.00 0.00 H new ATOM 0 HG LEU A 17 2.551 0.599 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.481 0.345 -13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.258 0.301 -13.483 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.322 -1.209 -13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.311 -0.430 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.071 -2.035 -11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.212 -1.093 -9.985 1.00 0.00 H new ATOM 140 N ALA A 18 6.213 -2.442 -9.618 1.00 0.00 N ATOM 141 CA ALA A 18 7.302 -3.402 -9.507 1.00 0.00 C ATOM 142 C ALA A 18 7.115 -4.390 -8.382 1.00 0.00 C ATOM 143 O ALA A 18 6.409 -5.403 -8.513 1.00 0.00 O ATOM 144 CB ALA A 18 8.613 -2.599 -9.376 1.00 0.00 C ATOM 0 H ALA A 18 6.525 -1.474 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 18 7.328 -4.025 -10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.454 -3.287 -9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.745 -1.972 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.567 -1.970 -8.487 1.00 0.00 H new ATOM 145 N ARG A 19 7.853 -4.123 -7.127 1.00 0.00 N ATOM 146 CA ARG A 19 7.906 -5.097 -6.043 1.00 0.00 C ATOM 147 C ARG A 19 8.729 -4.588 -4.884 1.00 0.00 C ATOM 148 O ARG A 19 8.247 -3.864 -4.002 1.00 0.00 O ATOM 149 CB ARG A 19 8.466 -6.438 -6.603 1.00 0.00 C ATOM 150 CG ARG A 19 8.695 -7.549 -5.545 1.00 0.00 C ATOM 151 CD ARG A 19 7.912 -8.831 -5.859 1.00 0.00 C ATOM 152 NE ARG A 19 8.701 -9.641 -6.822 1.00 0.00 N ATOM 153 CZ ARG A 19 8.558 -10.943 -7.032 1.00 0.00 C ATOM 154 NH1 ARG A 19 7.699 -11.696 -6.411 1.00 0.00 N ATOM 155 NH2 ARG A 19 9.322 -11.490 -7.909 1.00 0.00 N ATOM 0 H ARG A 19 8.362 -3.259 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 19 6.901 -5.264 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.776 -6.814 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.412 -6.237 -7.106 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.759 -7.781 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.399 -7.178 -4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.732 -9.398 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.937 -8.586 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 19 9.413 -9.155 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.079 -11.291 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.645 -12.692 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.006 -10.925 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.245 -12.489 -8.101 1.00 0.00 H new ATOM 156 N ASP A 20 10.157 -4.979 -4.876 1.00 0.00 N ATOM 157 CA ASP A 20 11.123 -4.451 -3.911 1.00 0.00 C ATOM 158 C ASP A 20 11.615 -3.091 -4.339 1.00 0.00 C ATOM 159 O ASP A 20 11.696 -2.772 -5.534 1.00 0.00 O ATOM 160 CB ASP A 20 12.286 -5.465 -3.738 1.00 0.00 C ATOM 161 CG ASP A 20 13.548 -4.989 -3.007 1.00 0.00 C ATOM 162 OD1 ASP A 20 14.293 -4.127 -3.451 1.00 0.00 O ATOM 163 OD2 ASP A 20 13.759 -5.648 -1.827 1.00 0.00 O ATOM 0 H ASP A 20 10.559 -5.640 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 20 10.639 -4.321 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.897 -6.332 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.582 -5.807 -4.730 1.00 0.00 H new ATOM 164 N PRO A 21 12.020 -2.175 -3.254 1.00 0.00 N ATOM 165 CA PRO A 21 12.559 -0.745 -3.416 1.00 0.00 C ATOM 166 C PRO A 21 13.294 -0.484 -4.709 1.00 0.00 C ATOM 167 O PRO A 21 14.531 -0.500 -4.774 1.00 0.00 O ATOM 168 CB PRO A 21 13.519 -0.561 -2.243 1.00 0.00 C ATOM 169 CG PRO A 21 12.757 -1.294 -1.129 1.00 0.00 C ATOM 170 CD PRO A 21 11.995 -2.442 -1.797 1.00 0.00 C ATOM 0 HA PRO A 21 11.722 -0.047 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.496 -1.004 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.686 0.490 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.446 -1.674 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.070 -0.618 -0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.462 -3.401 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.970 -2.492 -1.430 1.00 0.00 H new ATOM 171 N ASN A 22 12.450 -0.214 -5.895 1.00 0.00 N ATOM 172 CA ASN A 22 13.011 0.198 -7.178 1.00 0.00 C ATOM 173 C ASN A 22 13.266 1.688 -7.201 1.00 0.00 C ATOM 174 O ASN A 22 14.267 2.170 -7.748 1.00 0.00 O ATOM 175 CB ASN A 22 12.040 -0.210 -8.324 1.00 0.00 C ATOM 176 CG ASN A 22 12.021 0.682 -9.569 1.00 0.00 C ATOM 177 OD1 ASN A 22 11.502 1.877 -9.478 1.00 0.00 O flip ATOM 178 ND2 ASN A 22 12.463 0.312 -10.647 1.00 0.00 N flip ATOM 0 H ASN A 22 11.433 -0.297 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 22 13.967 -0.305 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.292 -1.223 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.030 -0.244 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.872 -0.618 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.422 0.933 -11.455 1.00 0.00 H new ATOM 179 N ALA A 23 12.233 2.537 -6.567 1.00 0.00 N ATOM 180 CA ALA A 23 12.362 3.989 -6.493 1.00 0.00 C ATOM 181 C ALA A 23 11.702 4.534 -5.249 1.00 0.00 C ATOM 182 O ALA A 23 11.360 5.723 -5.163 1.00 0.00 O ATOM 183 CB ALA A 23 11.769 4.575 -7.787 1.00 0.00 C ATOM 0 H ALA A 23 11.378 2.171 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 23 13.410 4.280 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.849 5.662 -7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.317 4.188 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.720 4.290 -7.868 1.00 0.00 H new ATOM 184 N ASP A 24 11.504 3.586 -4.131 1.00 0.00 N ATOM 185 CA ASP A 24 11.034 4.027 -2.821 1.00 0.00 C ATOM 186 C ASP A 24 11.822 5.225 -2.343 1.00 0.00 C ATOM 187 O ASP A 24 11.391 6.380 -2.457 1.00 0.00 O ATOM 188 CB ASP A 24 11.083 2.857 -1.804 1.00 0.00 C ATOM 189 CG ASP A 24 10.235 1.620 -2.139 1.00 0.00 C ATOM 190 OD1 ASP A 24 9.422 1.813 -3.221 1.00 0.00 O ATOM 191 OD2 ASP A 24 10.281 0.584 -1.492 1.00 0.00 O ATOM 0 H ASP A 24 11.679 2.583 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 24 9.994 4.341 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.121 2.541 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.765 3.236 -0.833 1.00 0.00 H new ATOM 192 N GLY A 25 13.122 4.935 -1.699 1.00 0.00 N ATOM 193 CA GLY A 25 13.953 5.983 -1.113 1.00 0.00 C ATOM 194 C GLY A 25 13.449 6.346 0.268 1.00 0.00 C ATOM 195 O GLY A 25 13.952 5.865 1.292 1.00 0.00 O ATOM 0 H GLY A 25 13.518 3.998 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.987 5.644 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.943 6.865 -1.754 1.00 0.00 H new ATOM 196 N GLU A 26 12.305 7.282 0.313 1.00 0.00 N ATOM 197 CA GLU A 26 11.606 7.588 1.562 1.00 0.00 C ATOM 198 C GLU A 26 10.162 7.939 1.297 1.00 0.00 C ATOM 199 O GLU A 26 9.457 8.477 2.170 1.00 0.00 O ATOM 200 CB GLU A 26 12.391 8.724 2.276 1.00 0.00 C ATOM 201 CG GLU A 26 11.675 9.609 3.346 1.00 0.00 C ATOM 202 CD GLU A 26 12.511 10.646 4.103 1.00 0.00 C ATOM 203 OE1 GLU A 26 13.277 10.352 5.011 1.00 0.00 O ATOM 204 OE2 GLU A 26 12.320 11.923 3.669 1.00 0.00 O ATOM 0 H GLU A 26 11.935 7.766 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 26 11.576 6.719 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.256 8.268 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.771 9.392 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.859 10.136 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.224 8.943 4.082 1.00 0.00 H new ATOM 205 N PHE A 27 9.597 7.572 -0.022 1.00 0.00 N ATOM 206 CA PHE A 27 8.268 8.035 -0.437 1.00 0.00 C ATOM 207 C PHE A 27 7.172 7.141 0.081 1.00 0.00 C ATOM 208 O PHE A 27 7.364 5.928 0.289 1.00 0.00 O ATOM 209 CB PHE A 27 8.204 8.190 -1.982 1.00 0.00 C ATOM 210 CG PHE A 27 7.863 6.991 -2.879 1.00 0.00 C ATOM 211 CD1 PHE A 27 6.569 6.458 -2.884 1.00 0.00 C ATOM 212 CD2 PHE A 27 8.835 6.437 -3.719 1.00 0.00 C ATOM 213 CE1 PHE A 27 6.254 5.384 -3.710 1.00 0.00 C ATOM 214 CE2 PHE A 27 8.517 5.364 -4.546 1.00 0.00 C ATOM 215 CZ PHE A 27 7.227 4.838 -4.542 1.00 0.00 C ATOM 0 H PHE A 27 10.078 6.991 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 27 8.102 9.016 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.472 8.968 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.174 8.567 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.811 6.883 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.836 6.843 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.255 4.974 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.271 4.939 -5.192 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.982 4.006 -5.185 1.00 0.00 H new ATOM 216 N VAL A 28 5.853 7.758 0.336 1.00 0.00 N ATOM 217 CA VAL A 28 4.752 7.066 1.022 1.00 0.00 C ATOM 218 C VAL A 28 3.489 7.157 0.199 1.00 0.00 C ATOM 219 O VAL A 28 3.313 8.107 -0.595 1.00 0.00 O ATOM 220 CB VAL A 28 4.566 7.716 2.449 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.877 8.160 3.169 1.00 0.00 C ATOM 222 CG2 VAL A 28 3.657 8.968 2.457 1.00 0.00 C ATOM 0 H VAL A 28 5.621 8.709 0.051 1.00 0.00 H new ATOM 0 HA VAL A 28 4.982 6.008 1.143 1.00 0.00 H new ATOM 0 HB VAL A 28 4.113 6.881 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.631 8.592 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.525 7.295 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.392 8.904 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.580 9.355 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.085 9.733 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.665 8.700 2.095 1.00 0.00 H new ATOM 223 N PHE A 29 2.449 6.123 0.383 1.00 0.00 N ATOM 224 CA PHE A 29 1.280 6.015 -0.490 1.00 0.00 C ATOM 225 C PHE A 29 0.039 5.739 0.325 1.00 0.00 C ATOM 226 O PHE A 29 0.046 4.879 1.229 1.00 0.00 O ATOM 227 CB PHE A 29 1.473 4.849 -1.507 1.00 0.00 C ATOM 228 CG PHE A 29 0.784 3.514 -1.181 1.00 0.00 C ATOM 229 CD1 PHE A 29 1.339 2.637 -0.244 1.00 0.00 C ATOM 230 CD2 PHE A 29 -0.376 3.138 -1.871 1.00 0.00 C ATOM 231 CE1 PHE A 29 0.747 1.399 -0.007 1.00 0.00 C ATOM 232 CE2 PHE A 29 -0.965 1.901 -1.634 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.402 1.029 -0.704 1.00 0.00 C ATOM 0 H PHE A 29 2.478 5.423 1.124 1.00 0.00 H new ATOM 0 HA PHE A 29 1.169 6.959 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.115 5.186 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.542 4.662 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.229 2.921 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.815 3.813 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.179 0.725 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.858 1.616 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.856 0.066 -0.523 1.00 0.00 H new ATOM 234 N ALA A 30 -1.191 6.491 -0.005 1.00 0.00 N ATOM 235 CA ALA A 30 -2.399 6.385 0.807 1.00 0.00 C ATOM 236 C ALA A 30 -3.572 5.858 0.014 1.00 0.00 C ATOM 237 O ALA A 30 -4.233 6.590 -0.736 1.00 0.00 O ATOM 238 CB ALA A 30 -2.679 7.768 1.419 1.00 0.00 C ATOM 0 H ALA A 30 -1.276 7.120 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.246 5.658 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.579 7.719 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.834 8.070 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.823 8.496 0.621 1.00 0.00 H new ATOM 239 N VAL A 31 -3.909 4.435 0.217 1.00 0.00 N ATOM 240 CA VAL A 31 -5.129 3.840 -0.339 1.00 0.00 C ATOM 241 C VAL A 31 -6.278 4.055 0.616 1.00 0.00 C ATOM 242 O VAL A 31 -6.498 3.268 1.553 1.00 0.00 O ATOM 243 CB VAL A 31 -4.874 2.313 -0.647 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.741 1.359 0.575 1.00 0.00 C ATOM 245 CG2 VAL A 31 -5.930 1.652 -1.563 1.00 0.00 C ATOM 0 H VAL A 31 -3.329 3.784 0.746 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.396 4.323 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.907 2.406 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.568 0.341 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.903 1.677 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.659 1.390 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.672 0.604 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.911 1.718 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.952 2.167 -2.524 1.00 0.00 H new ATOM 246 N ARG A 32 -7.102 5.271 0.417 1.00 0.00 N ATOM 247 CA ARG A 32 -8.093 5.686 1.405 1.00 0.00 C ATOM 248 C ARG A 32 -9.432 5.015 1.240 1.00 0.00 C ATOM 249 O ARG A 32 -10.487 5.595 1.581 1.00 0.00 O ATOM 250 CB ARG A 32 -8.232 7.234 1.362 1.00 0.00 C ATOM 251 CG ARG A 32 -8.534 7.847 -0.030 1.00 0.00 C ATOM 252 CD ARG A 32 -9.965 7.574 -0.509 1.00 0.00 C ATOM 253 NE ARG A 32 -10.119 8.135 -1.875 1.00 0.00 N ATOM 254 CZ ARG A 32 -10.248 9.421 -2.172 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.251 10.380 -1.293 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.378 9.735 -3.412 1.00 0.00 N ATOM 0 H ARG A 32 -7.035 5.881 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.734 5.366 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.027 7.527 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.308 7.673 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.370 8.924 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.830 7.444 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.165 6.502 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.685 8.029 0.171 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.126 7.474 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.150 10.163 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.355 11.349 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.379 9.006 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.480 10.713 -3.682 1.00 0.00 H new ATOM 257 N THR A 33 -9.466 3.639 0.701 1.00 0.00 N ATOM 258 CA THR A 33 -10.717 2.904 0.492 1.00 0.00 C ATOM 259 C THR A 33 -10.926 1.915 1.618 1.00 0.00 C ATOM 260 O THR A 33 -12.023 1.757 2.167 1.00 0.00 O ATOM 261 CB THR A 33 -10.713 2.184 -0.895 1.00 0.00 C ATOM 262 OG1 THR A 33 -12.014 1.705 -1.215 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.805 0.939 -1.021 1.00 0.00 C ATOM 0 H THR A 33 -8.630 3.116 0.442 1.00 0.00 H new ATOM 0 HA THR A 33 -11.546 3.612 0.493 1.00 0.00 H new ATOM 0 HB THR A 33 -10.336 2.962 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.993 1.259 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.888 0.528 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.770 1.222 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.116 0.187 -0.296 1.00 0.00 H new ATOM 264 N THR A 34 -9.723 1.160 2.034 1.00 0.00 N ATOM 265 CA THR A 34 -9.692 0.322 3.228 1.00 0.00 C ATOM 266 C THR A 34 -9.102 1.094 4.389 1.00 0.00 C ATOM 267 O THR A 34 -9.219 0.715 5.562 1.00 0.00 O ATOM 268 CB THR A 34 -8.900 -1.002 2.965 1.00 0.00 C ATOM 269 OG1 THR A 34 -9.411 -1.669 1.818 1.00 0.00 O ATOM 270 CG2 THR A 34 -8.949 -2.065 4.084 1.00 0.00 C ATOM 0 H THR A 34 -8.844 1.176 1.517 1.00 0.00 H new ATOM 0 HA THR A 34 -10.714 0.043 3.485 1.00 0.00 H new ATOM 0 HB THR A 34 -7.875 -0.646 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.904 -2.494 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.364 -2.935 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.535 -1.647 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.983 -2.365 4.256 1.00 0.00 H new ATOM 271 N GLY A 35 -8.392 2.345 4.036 1.00 0.00 N ATOM 272 CA GLY A 35 -7.933 3.300 5.038 1.00 0.00 C ATOM 273 C GLY A 35 -6.587 2.937 5.613 1.00 0.00 C ATOM 274 O GLY A 35 -6.461 2.639 6.817 1.00 0.00 O ATOM 0 H GLY A 35 -8.179 2.618 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.877 4.292 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.665 3.355 5.844 1.00 0.00 H new ATOM 275 N ILE A 36 -5.433 2.876 4.692 1.00 0.00 N ATOM 276 CA ILE A 36 -4.062 2.752 5.176 1.00 0.00 C ATOM 277 C ILE A 36 -3.110 3.599 4.369 1.00 0.00 C ATOM 278 O ILE A 36 -3.181 3.654 3.128 1.00 0.00 O ATOM 279 CB ILE A 36 -3.595 1.234 5.218 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.387 0.552 3.829 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.554 0.338 6.062 1.00 0.00 C ATOM 282 CD1 ILE A 36 -2.092 -0.274 3.673 1.00 0.00 C ATOM 0 H ILE A 36 -5.516 2.916 3.676 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.044 3.128 6.199 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.616 1.304 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.238 -0.101 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.397 1.325 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.190 -0.689 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.589 0.707 7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.555 0.369 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.052 -0.701 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.228 0.372 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.081 -1.077 4.410 1.00 0.00 H new ATOM 283 N PHE A 37 -2.086 4.355 5.119 1.00 0.00 N ATOM 284 CA PHE A 37 -0.981 5.056 4.441 1.00 0.00 C ATOM 285 C PHE A 37 0.296 4.279 4.644 1.00 0.00 C ATOM 286 O PHE A 37 0.815 4.212 5.791 1.00 0.00 O ATOM 287 CB PHE A 37 -0.854 6.507 4.991 1.00 0.00 C ATOM 288 CG PHE A 37 0.254 6.873 5.989 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.595 6.895 5.599 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.089 7.254 7.292 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.581 7.289 6.501 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.895 7.649 8.192 1.00 0.00 C ATOM 293 CZ PHE A 37 2.230 7.664 7.797 1.00 0.00 C ATOM 0 H PHE A 37 -2.075 4.441 6.135 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.182 5.122 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.742 7.167 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.805 6.756 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.868 6.606 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.124 7.241 7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.617 7.304 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.624 7.943 9.195 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.995 7.967 8.496 1.00 0.00 H new ATOM 294 N CYS A 38 0.906 3.549 3.512 1.00 0.00 N ATOM 295 CA CYS A 38 2.021 2.626 3.697 1.00 0.00 C ATOM 296 C CYS A 38 3.228 2.999 2.877 1.00 0.00 C ATOM 297 O CYS A 38 3.127 3.718 1.865 1.00 0.00 O ATOM 298 CB CYS A 38 1.528 1.203 3.310 1.00 0.00 C ATOM 299 SG CYS A 38 2.830 -0.012 3.630 1.00 0.00 S ATOM 0 H CYS A 38 0.594 3.640 2.545 1.00 0.00 H new ATOM 0 HA CYS A 38 2.338 2.666 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.635 0.951 3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.249 1.180 2.257 1.00 0.00 H new ATOM 300 N ARG A 39 4.535 2.500 3.346 1.00 0.00 N ATOM 301 CA ARG A 39 5.722 2.573 2.476 1.00 0.00 C ATOM 302 C ARG A 39 5.590 1.471 1.442 1.00 0.00 C ATOM 303 O ARG A 39 5.535 0.279 1.781 1.00 0.00 O ATOM 304 CB ARG A 39 7.003 2.454 3.333 1.00 0.00 C ATOM 305 CG ARG A 39 7.875 3.736 3.413 1.00 0.00 C ATOM 306 CD ARG A 39 9.229 3.572 2.711 1.00 0.00 C ATOM 307 NE ARG A 39 9.931 2.409 3.310 1.00 0.00 N ATOM 308 CZ ARG A 39 10.826 2.468 4.287 1.00 0.00 C ATOM 309 NH1 ARG A 39 11.211 3.568 4.864 1.00 0.00 N ATOM 310 NH2 ARG A 39 11.343 1.360 4.686 1.00 0.00 N ATOM 0 H ARG A 39 4.700 2.088 4.264 1.00 0.00 H new ATOM 0 HA ARG A 39 5.794 3.529 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.717 2.166 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.613 1.645 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.334 4.568 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.041 3.994 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.085 3.418 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.827 4.476 2.825 1.00 0.00 H new ATOM 0 HE ARG A 39 9.706 1.486 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.819 4.462 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.905 3.536 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.061 0.481 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.035 1.361 5.435 1.00 0.00 H new ATOM 311 N PRO A 40 5.525 1.889 0.033 1.00 0.00 N ATOM 312 CA PRO A 40 5.341 0.978 -1.200 1.00 0.00 C ATOM 313 C PRO A 40 5.620 -0.485 -0.978 1.00 0.00 C ATOM 314 O PRO A 40 6.747 -0.971 -1.171 1.00 0.00 O ATOM 315 CB PRO A 40 6.288 1.589 -2.231 1.00 0.00 C ATOM 316 CG PRO A 40 6.046 3.087 -1.978 1.00 0.00 C ATOM 317 CD PRO A 40 5.624 3.263 -0.516 1.00 0.00 C ATOM 0 HA PRO A 40 4.295 0.957 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.326 1.302 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.038 1.295 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.951 3.658 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.272 3.465 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.355 3.855 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.670 3.785 -0.442 1.00 0.00 H new ATOM 318 N SER A 41 4.478 -1.338 -0.550 1.00 0.00 N ATOM 319 CA SER A 41 4.676 -2.722 -0.138 1.00 0.00 C ATOM 320 C SER A 41 3.429 -3.572 -0.161 1.00 0.00 C ATOM 321 O SER A 41 3.169 -4.312 -1.120 1.00 0.00 O ATOM 322 CB SER A 41 5.361 -2.777 1.257 1.00 0.00 C ATOM 323 OG SER A 41 5.944 -4.053 1.539 1.00 0.00 O ATOM 0 H SER A 41 3.509 -1.021 -0.517 1.00 0.00 H new ATOM 0 HA SER A 41 5.331 -3.163 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.134 -2.010 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.627 -2.540 2.027 1.00 0.00 H new ATOM 0 HG SER A 41 6.362 -4.033 2.425 1.00 0.00 H new ATOM 324 N CYS A 42 2.506 -3.453 0.993 1.00 0.00 N ATOM 325 CA CYS A 42 1.385 -4.334 1.278 1.00 0.00 C ATOM 326 C CYS A 42 1.210 -5.435 0.258 1.00 0.00 C ATOM 327 O CYS A 42 0.546 -5.304 -0.777 1.00 0.00 O ATOM 328 CB CYS A 42 0.091 -3.545 1.560 1.00 0.00 C ATOM 329 SG CYS A 42 0.304 -1.907 2.287 1.00 0.00 S ATOM 0 H CYS A 42 2.606 -2.713 1.688 1.00 0.00 H new ATOM 0 HA CYS A 42 1.632 -4.857 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.456 -3.436 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.534 -4.138 2.227 1.00 0.00 H new ATOM 330 N ARG A 43 1.931 -6.700 0.560 1.00 0.00 N ATOM 331 CA ARG A 43 2.048 -7.809 -0.377 1.00 0.00 C ATOM 332 C ARG A 43 0.751 -8.556 -0.564 1.00 0.00 C ATOM 333 O ARG A 43 0.701 -9.590 -1.256 1.00 0.00 O ATOM 334 CB ARG A 43 3.176 -8.762 0.121 1.00 0.00 C ATOM 335 CG ARG A 43 4.403 -8.048 0.745 1.00 0.00 C ATOM 336 CD ARG A 43 5.688 -8.276 -0.066 1.00 0.00 C ATOM 337 NE ARG A 43 5.798 -9.728 -0.359 1.00 0.00 N ATOM 338 CZ ARG A 43 6.280 -10.258 -1.474 1.00 0.00 C ATOM 339 NH1 ARG A 43 6.736 -9.569 -2.478 1.00 0.00 N ATOM 340 NH2 ARG A 43 6.295 -11.542 -1.563 1.00 0.00 N ATOM 0 H ARG A 43 2.394 -6.873 1.452 1.00 0.00 H new ATOM 0 HA ARG A 43 2.301 -7.405 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.756 -9.444 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.515 -9.370 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.203 -6.979 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.550 -8.408 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.660 -7.702 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.558 -7.934 0.495 1.00 0.00 H new ATOM 0 HE ARG A 43 5.474 -10.374 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.738 -8.550 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.092 -10.048 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.944 -12.111 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.658 -11.991 -2.404 1.00 0.00 H new ATOM 341 N ALA A 44 -0.447 -8.041 0.132 1.00 0.00 N ATOM 342 CA ALA A 44 -1.774 -8.577 -0.125 1.00 0.00 C ATOM 343 C ALA A 44 -2.100 -8.461 -1.610 1.00 0.00 C ATOM 344 O ALA A 44 -1.259 -8.158 -2.463 1.00 0.00 O ATOM 345 CB ALA A 44 -2.787 -7.803 0.739 1.00 0.00 C ATOM 0 H ALA A 44 -0.424 -7.292 0.824 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.820 -9.634 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.790 -8.191 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.534 -7.924 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.755 -6.745 0.477 1.00 0.00 H new ATOM 346 N ARG A 45 -3.513 -8.783 -1.947 1.00 0.00 N ATOM 347 CA ARG A 45 -4.046 -8.563 -3.288 1.00 0.00 C ATOM 348 C ARG A 45 -3.609 -7.214 -3.817 1.00 0.00 C ATOM 349 O ARG A 45 -3.664 -6.939 -5.023 1.00 0.00 O ATOM 350 CB ARG A 45 -5.589 -8.722 -3.261 1.00 0.00 C ATOM 351 CG ARG A 45 -6.413 -7.444 -3.565 1.00 0.00 C ATOM 352 CD ARG A 45 -6.704 -6.618 -2.305 1.00 0.00 C ATOM 353 NE ARG A 45 -7.943 -7.146 -1.679 1.00 0.00 N ATOM 354 CZ ARG A 45 -9.148 -7.140 -2.233 1.00 0.00 C ATOM 355 NH1 ARG A 45 -9.411 -6.659 -3.412 1.00 0.00 N ATOM 356 NH2 ARG A 45 -10.116 -7.646 -1.554 1.00 0.00 N ATOM 0 H ARG A 45 -4.185 -9.168 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.647 -9.310 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.867 -9.489 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.879 -9.091 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.870 -6.828 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.355 -7.726 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.869 -6.682 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.826 -5.565 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.860 -7.547 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.664 -6.252 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.364 -6.689 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.941 -8.032 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.059 -7.661 -1.943 1.00 0.00 H new ATOM 357 N HIS A 46 -3.160 -6.229 -2.811 1.00 0.00 N ATOM 358 CA HIS A 46 -2.522 -4.960 -3.133 1.00 0.00 C ATOM 359 C HIS A 46 -3.519 -3.837 -3.287 1.00 0.00 C ATOM 360 O HIS A 46 -4.565 -3.966 -3.937 1.00 0.00 O ATOM 361 CB HIS A 46 -1.702 -5.151 -4.417 1.00 0.00 C ATOM 362 CG HIS A 46 -0.724 -4.032 -4.638 1.00 0.00 C ATOM 363 ND1 HIS A 46 -0.411 -3.453 -5.865 1.00 0.00 N ATOM 364 CD2 HIS A 46 -0.011 -3.446 -3.602 1.00 0.00 C ATOM 365 CE1 HIS A 46 0.488 -2.535 -5.463 1.00 0.00 C ATOM 366 NE2 HIS A 46 0.784 -2.466 -4.136 1.00 0.00 N ATOM 0 H HIS A 46 -3.271 -6.379 -1.808 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.872 -4.670 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.163 -6.097 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.377 -5.215 -5.271 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.072 -3.715 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.961 -1.872 -6.173 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.434 -1.842 -3.659 1.00 0.00 H new ATOM 367 N ALA A 47 -3.183 -2.578 -2.578 1.00 0.00 N ATOM 368 CA ALA A 47 -4.012 -1.381 -2.670 1.00 0.00 C ATOM 369 C ALA A 47 -3.957 -0.791 -4.060 1.00 0.00 C ATOM 370 O ALA A 47 -2.887 -0.457 -4.587 1.00 0.00 O ATOM 371 CB ALA A 47 -3.536 -0.398 -1.587 1.00 0.00 C ATOM 0 H ALA A 47 -2.360 -2.468 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.061 -1.621 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.138 0.510 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.643 -0.859 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.489 -0.148 -1.758 1.00 0.00 H new ATOM 372 N LEU A 48 -5.252 -0.673 -4.767 1.00 0.00 N ATOM 373 CA LEU A 48 -5.351 -0.131 -6.118 1.00 0.00 C ATOM 374 C LEU A 48 -4.753 1.255 -6.192 1.00 0.00 C ATOM 375 O LEU A 48 -4.647 1.975 -5.189 1.00 0.00 O ATOM 376 CB LEU A 48 -6.831 -0.116 -6.595 1.00 0.00 C ATOM 377 CG LEU A 48 -7.868 -1.015 -5.870 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.369 -0.322 -4.595 1.00 0.00 C ATOM 379 CD2 LEU A 48 -9.067 -1.375 -6.764 1.00 0.00 C ATOM 0 H LEU A 48 -6.145 -0.957 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.781 -0.779 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.186 0.912 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.839 -0.391 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.358 -1.944 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.096 -0.962 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.528 -0.137 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.839 0.626 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.760 -2.005 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.576 -0.463 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.716 -1.913 -7.644 1.00 0.00 H new ATOM 380 N ARG A 49 -4.322 1.711 -7.531 1.00 0.00 N ATOM 381 CA ARG A 49 -3.900 3.085 -7.795 1.00 0.00 C ATOM 382 C ARG A 49 -5.086 3.967 -8.107 1.00 0.00 C ATOM 383 O ARG A 49 -4.944 5.098 -8.595 1.00 0.00 O ATOM 384 CB ARG A 49 -2.884 3.075 -8.972 1.00 0.00 C ATOM 385 CG ARG A 49 -3.524 2.933 -10.379 1.00 0.00 C ATOM 386 CD ARG A 49 -2.482 2.852 -11.502 1.00 0.00 C ATOM 387 NE ARG A 49 -3.157 2.359 -12.730 1.00 0.00 N ATOM 388 CZ ARG A 49 -3.223 1.091 -13.115 1.00 0.00 C ATOM 389 NH1 ARG A 49 -2.697 0.097 -12.463 1.00 0.00 N ATOM 390 NH2 ARG A 49 -3.852 0.835 -14.207 1.00 0.00 N ATOM 0 H ARG A 49 -4.291 1.103 -8.350 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.423 3.497 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.305 3.998 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.183 2.254 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.146 2.038 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.182 3.783 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.038 3.832 -11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.671 2.181 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.607 3.053 -13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.193 0.268 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.789 -0.854 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.276 1.593 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.926 -0.126 -14.539 1.00 0.00 H new ATOM 391 N GLU A 50 -6.425 3.403 -7.830 1.00 0.00 N ATOM 392 CA GLU A 50 -7.663 4.055 -8.245 1.00 0.00 C ATOM 393 C GLU A 50 -8.164 5.042 -7.218 1.00 0.00 C ATOM 394 O GLU A 50 -8.910 5.989 -7.552 1.00 0.00 O ATOM 395 CB GLU A 50 -8.727 2.948 -8.515 1.00 0.00 C ATOM 396 CG GLU A 50 -8.215 1.599 -9.118 1.00 0.00 C ATOM 397 CD GLU A 50 -8.873 1.075 -10.397 1.00 0.00 C ATOM 398 OE1 GLU A 50 -8.514 1.412 -11.517 1.00 0.00 O ATOM 399 OE2 GLU A 50 -9.892 0.201 -10.170 1.00 0.00 O ATOM 0 H GLU A 50 -6.570 2.524 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.473 4.631 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.232 2.728 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.477 3.358 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.148 1.707 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.322 0.831 -8.352 1.00 0.00 H new ATOM 400 N ASN A 51 -7.768 4.842 -5.818 1.00 0.00 N ATOM 401 CA ASN A 51 -8.253 5.688 -4.700 1.00 0.00 C ATOM 402 C ASN A 51 -7.027 6.090 -3.888 1.00 0.00 C ATOM 403 O ASN A 51 -7.102 6.443 -2.701 1.00 0.00 O ATOM 404 CB ASN A 51 -9.088 4.734 -3.805 1.00 0.00 C ATOM 405 CG ASN A 51 -8.251 3.747 -2.955 1.00 0.00 C ATOM 406 OD1 ASN A 51 -7.556 2.878 -3.455 1.00 0.00 O ATOM 407 ND2 ASN A 51 -8.299 3.875 -1.658 1.00 0.00 N ATOM 0 H ASN A 51 -7.130 4.104 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.814 6.560 -5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.707 5.333 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.765 4.162 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.756 3.249 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.880 4.601 -1.238 1.00 0.00 H new ATOM 408 N VAL A 52 -5.733 5.951 -4.591 1.00 0.00 N ATOM 409 CA VAL A 52 -4.456 5.949 -3.885 1.00 0.00 C ATOM 410 C VAL A 52 -3.828 7.315 -3.934 1.00 0.00 C ATOM 411 O VAL A 52 -3.999 8.050 -4.941 1.00 0.00 O ATOM 412 CB VAL A 52 -3.510 4.837 -4.500 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.287 5.331 -5.317 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.934 3.848 -3.450 1.00 0.00 C ATOM 0 H VAL A 52 -5.649 5.849 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.618 5.708 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.216 4.355 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.722 4.473 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.631 5.925 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.647 5.942 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.297 3.118 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.347 4.399 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.753 3.332 -2.948 1.00 0.00 H new ATOM 415 N SER A 53 -3.044 7.799 -2.779 1.00 0.00 N ATOM 416 CA SER A 53 -2.286 9.051 -2.827 1.00 0.00 C ATOM 417 C SER A 53 -0.802 8.784 -2.772 1.00 0.00 C ATOM 418 O SER A 53 -0.356 7.640 -2.581 1.00 0.00 O ATOM 419 CB SER A 53 -2.771 10.024 -1.726 1.00 0.00 C ATOM 420 OG SER A 53 -1.704 10.694 -1.048 1.00 0.00 O ATOM 0 H SER A 53 -2.980 7.304 -1.890 1.00 0.00 H new ATOM 0 HA SER A 53 -2.472 9.544 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.430 10.768 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.363 9.470 -0.997 1.00 0.00 H new ATOM 0 HG SER A 53 -1.574 10.291 -0.164 1.00 0.00 H new ATOM 421 N PHE A 54 0.106 9.934 -3.002 1.00 0.00 N ATOM 422 CA PHE A 54 1.555 9.799 -2.903 1.00 0.00 C ATOM 423 C PHE A 54 2.193 10.970 -2.189 1.00 0.00 C ATOM 424 O PHE A 54 1.728 12.117 -2.238 1.00 0.00 O ATOM 425 CB PHE A 54 2.202 9.675 -4.315 1.00 0.00 C ATOM 426 CG PHE A 54 1.655 8.603 -5.269 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.894 7.251 -4.997 1.00 0.00 C ATOM 428 CD2 PHE A 54 0.941 8.958 -6.416 1.00 0.00 C ATOM 429 CE1 PHE A 54 1.418 6.267 -5.856 1.00 0.00 C ATOM 430 CE2 PHE A 54 0.466 7.972 -7.277 1.00 0.00 C ATOM 431 CZ PHE A 54 0.704 6.627 -6.997 1.00 0.00 C ATOM 0 H PHE A 54 -0.214 10.873 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 54 1.735 8.893 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.109 10.641 -4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.267 9.488 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.451 6.971 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.757 9.999 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.601 5.225 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.087 8.249 -8.162 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.334 5.863 -7.665 1.00 0.00 H new ATOM 432 N TYR A 55 3.431 10.668 -1.433 1.00 0.00 N ATOM 433 CA TYR A 55 4.151 11.649 -0.626 1.00 0.00 C ATOM 434 C TYR A 55 5.641 11.364 -0.671 1.00 0.00 C ATOM 435 O TYR A 55 6.051 10.222 -0.989 1.00 0.00 O ATOM 436 CB TYR A 55 3.703 11.605 0.860 1.00 0.00 C ATOM 437 CG TYR A 55 2.290 11.135 1.248 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.537 10.251 0.476 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.734 11.639 2.441 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.258 9.876 0.874 1.00 0.00 C ATOM 441 CE2 TYR A 55 0.456 11.264 2.837 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.283 10.384 2.052 1.00 0.00 C ATOM 443 OH TYR A 55 -1.541 10.024 2.445 1.00 0.00 O ATOM 0 H TYR A 55 3.864 9.745 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 55 3.929 12.632 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.409 10.963 1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.826 12.611 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.951 9.854 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.306 12.322 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.316 9.190 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.037 11.655 3.752 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.760 10.470 3.290 1.00 0.00 H new ATOM 444 N ALA A 56 6.612 12.440 -0.378 1.00 0.00 N ATOM 445 CA ALA A 56 8.056 12.199 -0.293 1.00 0.00 C ATOM 446 C ALA A 56 8.476 11.667 1.055 1.00 0.00 C ATOM 447 O ALA A 56 9.513 10.986 1.182 1.00 0.00 O ATOM 448 CB ALA A 56 8.758 13.522 -0.654 1.00 0.00 C ATOM 0 H ALA A 56 6.344 13.411 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 56 8.348 11.417 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.838 13.386 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.477 13.819 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.456 14.298 0.050 1.00 0.00 H new ATOM 449 N ASN A 57 7.641 12.016 2.226 1.00 0.00 N ATOM 450 CA ASN A 57 7.912 11.470 3.553 1.00 0.00 C ATOM 451 C ASN A 57 6.638 11.244 4.332 1.00 0.00 C ATOM 452 O ASN A 57 5.610 11.899 4.114 1.00 0.00 O ATOM 453 CB ASN A 57 8.872 12.415 4.332 1.00 0.00 C ATOM 454 CG ASN A 57 8.910 12.261 5.857 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.430 13.094 6.611 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.463 11.193 6.365 1.00 0.00 N ATOM 0 H ASN A 57 6.840 12.646 2.186 1.00 0.00 H new ATOM 0 HA ASN A 57 8.393 10.500 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.882 12.263 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.596 13.444 4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.489 11.064 7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.869 10.487 5.750 1.00 0.00 H new ATOM 457 N ALA A 58 6.692 10.188 5.370 1.00 0.00 N ATOM 458 CA ALA A 58 5.512 9.777 6.122 1.00 0.00 C ATOM 459 C ALA A 58 4.924 10.926 6.909 1.00 0.00 C ATOM 460 O ALA A 58 3.703 11.002 7.125 1.00 0.00 O ATOM 461 CB ALA A 58 5.911 8.590 7.016 1.00 0.00 C ATOM 0 H ALA A 58 7.544 9.687 5.623 1.00 0.00 H new ATOM 0 HA ALA A 58 4.722 9.462 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.046 8.261 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.266 7.769 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.704 8.898 7.697 1.00 0.00 H new ATOM 462 N SER A 59 5.875 11.927 7.440 1.00 0.00 N ATOM 463 CA SER A 59 5.454 13.014 8.319 1.00 0.00 C ATOM 464 C SER A 59 4.175 13.646 7.823 1.00 0.00 C ATOM 465 O SER A 59 3.323 14.099 8.599 1.00 0.00 O ATOM 466 CB SER A 59 6.579 14.067 8.479 1.00 0.00 C ATOM 467 OG SER A 59 7.634 13.635 9.345 1.00 0.00 O ATOM 0 H SER A 59 6.873 11.924 7.230 1.00 0.00 H new ATOM 0 HA SER A 59 5.254 12.593 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.994 14.298 7.498 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.151 14.990 8.870 1.00 0.00 H new ATOM 0 HG SER A 59 8.365 13.262 8.809 1.00 0.00 H new ATOM 468 N GLU A 60 3.999 13.695 6.353 1.00 0.00 N ATOM 469 CA GLU A 60 2.813 14.284 5.741 1.00 0.00 C ATOM 470 C GLU A 60 1.578 13.466 6.039 1.00 0.00 C ATOM 471 O GLU A 60 0.572 13.977 6.552 1.00 0.00 O ATOM 472 CB GLU A 60 3.043 14.414 4.210 1.00 0.00 C ATOM 473 CG GLU A 60 1.779 14.318 3.292 1.00 0.00 C ATOM 474 CD GLU A 60 1.083 15.604 2.846 1.00 0.00 C ATOM 475 OE1 GLU A 60 1.895 16.465 2.171 1.00 0.00 O ATOM 476 OE2 GLU A 60 -0.098 15.837 3.074 1.00 0.00 O ATOM 0 H GLU A 60 4.679 13.329 5.686 1.00 0.00 H new ATOM 0 HA GLU A 60 2.648 15.274 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.528 15.372 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.743 13.636 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.066 13.772 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.040 13.709 3.813 1.00 0.00 H new ATOM 477 N ALA A 61 1.612 12.038 5.650 1.00 0.00 N ATOM 478 CA ALA A 61 0.436 11.181 5.746 1.00 0.00 C ATOM 479 C ALA A 61 -0.160 11.144 7.133 1.00 0.00 C ATOM 480 O ALA A 61 -1.380 10.920 7.292 1.00 0.00 O ATOM 481 CB ALA A 61 0.827 9.782 5.239 1.00 0.00 C ATOM 0 H ALA A 61 2.445 11.567 5.296 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.357 11.593 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.036 9.119 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.160 9.850 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.634 9.384 5.854 1.00 0.00 H new ATOM 482 N LEU A 62 0.738 11.329 8.292 1.00 0.00 N ATOM 483 CA LEU A 62 0.214 11.482 9.650 1.00 0.00 C ATOM 484 C LEU A 62 -0.286 12.890 9.869 1.00 0.00 C ATOM 485 O LEU A 62 -1.330 13.117 10.502 1.00 0.00 O ATOM 486 CB LEU A 62 1.260 11.061 10.717 1.00 0.00 C ATOM 487 CG LEU A 62 2.723 11.564 10.592 1.00 0.00 C ATOM 488 CD1 LEU A 62 2.836 12.999 11.125 1.00 0.00 C ATOM 489 CD2 LEU A 62 3.726 10.658 11.330 1.00 0.00 C ATOM 0 H LEU A 62 1.755 11.362 8.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.635 10.808 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.885 11.385 11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.289 9.972 10.734 1.00 0.00 H new ATOM 0 HG LEU A 62 2.977 11.538 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.867 13.341 11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.183 13.654 10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.539 13.022 12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.733 11.057 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.474 10.624 12.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.682 9.652 10.914 1.00 0.00 H new ATOM 490 N ALA A 63 0.547 13.984 9.326 1.00 0.00 N ATOM 491 CA ALA A 63 0.084 15.372 9.310 1.00 0.00 C ATOM 492 C ALA A 63 -1.279 15.471 8.666 1.00 0.00 C ATOM 493 O ALA A 63 -2.061 16.395 8.928 1.00 0.00 O ATOM 494 CB ALA A 63 1.146 16.221 8.592 1.00 0.00 C ATOM 0 H ALA A 63 1.479 13.848 8.935 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.037 15.752 10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.824 17.262 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.093 16.147 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.275 15.857 7.573 1.00 0.00 H new ATOM 495 N ALA A 64 -1.640 14.380 7.733 1.00 0.00 N ATOM 496 CA ALA A 64 -2.981 14.250 7.169 1.00 0.00 C ATOM 497 C ALA A 64 -3.934 13.743 8.236 1.00 0.00 C ATOM 498 O ALA A 64 -5.073 14.203 8.386 1.00 0.00 O ATOM 499 CB ALA A 64 -2.892 13.308 5.959 1.00 0.00 C ATOM 0 H ALA A 64 -0.987 13.659 7.427 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.371 15.210 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.881 13.191 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.210 13.729 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.522 12.335 6.282 1.00 0.00 H new ATOM 500 N GLY A 65 -3.387 12.670 9.100 1.00 0.00 N ATOM 501 CA GLY A 65 -4.109 12.165 10.265 1.00 0.00 C ATOM 502 C GLY A 65 -4.532 10.726 10.012 1.00 0.00 C ATOM 503 O GLY A 65 -5.600 10.260 10.426 1.00 0.00 O ATOM 0 H GLY A 65 -2.485 12.221 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.476 12.219 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.985 12.784 10.461 1.00 0.00 H new ATOM 504 N PHE A 66 -3.583 9.936 9.196 1.00 0.00 N ATOM 505 CA PHE A 66 -3.892 8.602 8.697 1.00 0.00 C ATOM 506 C PHE A 66 -3.217 7.532 9.514 1.00 0.00 C ATOM 507 O PHE A 66 -2.790 7.797 10.668 1.00 0.00 O ATOM 508 CB PHE A 66 -3.399 8.476 7.216 1.00 0.00 C ATOM 509 CG PHE A 66 -4.184 7.491 6.339 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.398 6.958 6.786 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.680 7.110 5.092 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.100 6.058 5.992 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.382 6.211 4.297 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.590 5.686 4.749 1.00 0.00 C ATOM 0 H PHE A 66 -2.657 10.271 8.931 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.971 8.464 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.442 9.462 6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.352 8.173 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.791 7.246 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.741 7.516 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.038 5.648 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.992 5.921 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.135 4.986 4.133 1.00 0.00 H new ATOM 515 N ARG A 67 -3.095 6.158 8.967 1.00 0.00 N ATOM 516 CA ARG A 67 -2.269 5.148 9.632 1.00 0.00 C ATOM 517 C ARG A 67 -1.022 4.873 8.816 1.00 0.00 C ATOM 518 O ARG A 67 -1.084 4.668 7.598 1.00 0.00 O ATOM 519 CB ARG A 67 -3.049 3.839 9.916 1.00 0.00 C ATOM 520 CG ARG A 67 -4.558 4.034 10.229 1.00 0.00 C ATOM 521 CD ARG A 67 -5.432 3.839 8.985 1.00 0.00 C ATOM 522 NE ARG A 67 -6.835 4.167 9.340 1.00 0.00 N ATOM 523 CZ ARG A 67 -7.319 5.389 9.518 1.00 0.00 C ATOM 524 NH1 ARG A 67 -6.619 6.479 9.404 1.00 0.00 N ATOM 525 NH2 ARG A 67 -8.563 5.497 9.824 1.00 0.00 N ATOM 0 H ARG A 67 -3.562 5.835 8.120 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.976 5.551 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.954 3.181 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.581 3.329 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.863 3.327 11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.719 5.034 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.086 4.481 8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.361 2.811 8.630 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.482 3.387 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.629 6.427 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.060 7.386 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.139 4.661 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.974 6.419 9.969 1.00 0.00 H new ATOM 526 N PRO A 68 0.249 4.898 9.568 1.00 0.00 N ATOM 527 CA PRO A 68 1.652 4.667 8.990 1.00 0.00 C ATOM 528 C PRO A 68 2.035 3.206 8.860 1.00 0.00 C ATOM 529 O PRO A 68 2.963 2.703 9.506 1.00 0.00 O ATOM 530 CB PRO A 68 2.603 5.343 9.968 1.00 0.00 C ATOM 531 CG PRO A 68 1.921 4.987 11.304 1.00 0.00 C ATOM 532 CD PRO A 68 0.425 5.155 11.018 1.00 0.00 C ATOM 0 HA PRO A 68 1.692 5.068 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.617 4.949 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.668 6.419 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.156 3.968 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.250 5.647 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.165 4.457 11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.089 6.159 11.279 1.00 0.00 H new ATOM 533 N CYS A 69 1.193 2.409 7.937 1.00 0.00 N ATOM 534 CA CYS A 69 1.557 1.035 7.578 1.00 0.00 C ATOM 535 C CYS A 69 3.048 0.947 7.334 1.00 0.00 C ATOM 536 O CYS A 69 3.613 1.339 6.304 1.00 0.00 O ATOM 537 CB CYS A 69 0.652 0.589 6.417 1.00 0.00 C ATOM 538 SG CYS A 69 0.721 -1.181 6.095 1.00 0.00 S ATOM 0 H CYS A 69 0.334 2.749 7.504 1.00 0.00 H new ATOM 0 HA CYS A 69 1.378 0.326 8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.377 0.870 6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.941 1.127 5.514 1.00 0.00 H new ATOM 539 N LYS A 70 3.834 0.383 8.475 1.00 0.00 N ATOM 540 CA LYS A 70 5.289 0.373 8.534 1.00 0.00 C ATOM 541 C LYS A 70 5.850 -0.888 7.921 1.00 0.00 C ATOM 542 O LYS A 70 6.335 -0.874 6.770 1.00 0.00 O ATOM 543 CB LYS A 70 5.749 0.522 10.012 1.00 0.00 C ATOM 544 CG LYS A 70 6.600 1.790 10.268 1.00 0.00 C ATOM 545 CD LYS A 70 7.833 1.929 9.371 1.00 0.00 C ATOM 546 CE LYS A 70 8.935 0.989 9.878 1.00 0.00 C ATOM 547 NZ LYS A 70 10.246 1.473 9.409 1.00 0.00 N ATOM 0 H LYS A 70 3.394 -0.036 9.294 1.00 0.00 H new ATOM 0 HA LYS A 70 5.670 1.214 7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.871 0.547 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.327 -0.358 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.968 2.668 10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.924 1.789 11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.577 1.685 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.187 2.960 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.919 0.946 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.759 -0.024 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.994 0.837 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.257 1.492 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.413 2.432 9.775 1.00 0.00 H new ATOM 548 N ARG A 71 5.833 -2.116 8.742 1.00 0.00 N ATOM 549 CA ARG A 71 6.184 -3.421 8.140 1.00 0.00 C ATOM 550 C ARG A 71 5.158 -3.702 7.061 1.00 0.00 C ATOM 551 O ARG A 71 5.443 -3.619 5.861 1.00 0.00 O ATOM 552 CB ARG A 71 6.213 -4.506 9.239 1.00 0.00 C ATOM 553 CG ARG A 71 7.622 -5.059 9.592 1.00 0.00 C ATOM 554 CD ARG A 71 7.989 -6.306 8.779 1.00 0.00 C ATOM 555 NE ARG A 71 8.044 -7.471 9.697 1.00 0.00 N ATOM 556 CZ ARG A 71 9.088 -7.824 10.434 1.00 0.00 C ATOM 557 NH1 ARG A 71 10.220 -7.185 10.456 1.00 0.00 N ATOM 558 NH2 ARG A 71 8.967 -8.869 11.173 1.00 0.00 N ATOM 0 H ARG A 71 5.590 -2.148 9.732 1.00 0.00 H new ATOM 0 HA ARG A 71 7.177 -3.415 7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.765 -4.095 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.584 -5.338 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.367 -4.283 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.658 -5.300 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.251 -6.477 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.951 -6.167 8.287 1.00 0.00 H new ATOM 0 HE ARG A 71 7.207 -8.050 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.347 -6.353 9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.981 -7.516 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.091 -9.392 11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.747 -9.175 11.755 1.00 0.00 H new ATOM 559 N CYS A 72 3.825 -4.121 7.543 1.00 0.00 N ATOM 560 CA CYS A 72 2.647 -4.202 6.697 1.00 0.00 C ATOM 561 C CYS A 72 1.447 -4.709 7.489 1.00 0.00 C ATOM 562 O CYS A 72 0.749 -5.659 7.114 1.00 0.00 O ATOM 563 CB CYS A 72 2.942 -4.970 5.398 1.00 0.00 C ATOM 564 SG CYS A 72 3.131 -3.798 4.012 1.00 0.00 S ATOM 0 H CYS A 72 3.645 -4.383 8.512 1.00 0.00 H new ATOM 0 HA CYS A 72 2.369 -3.202 6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.851 -5.560 5.513 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.133 -5.669 5.187 1.00 0.00 H new ATOM 565 N GLN A 73 1.151 -3.958 8.723 1.00 0.00 N ATOM 566 CA GLN A 73 -0.040 -4.191 9.561 1.00 0.00 C ATOM 567 C GLN A 73 -1.289 -4.434 8.767 1.00 0.00 C ATOM 568 O GLN A 73 -2.009 -3.503 8.371 1.00 0.00 O ATOM 569 CB GLN A 73 -0.222 -2.947 10.487 1.00 0.00 C ATOM 570 CG GLN A 73 -0.386 -3.237 12.013 1.00 0.00 C ATOM 571 CD GLN A 73 -0.062 -2.128 13.023 1.00 0.00 C ATOM 572 OE1 GLN A 73 1.091 -1.875 13.334 1.00 0.00 O ATOM 573 NE2 GLN A 73 -1.029 -1.418 13.547 1.00 0.00 N ATOM 0 H GLN A 73 1.758 -3.221 9.080 1.00 0.00 H new ATOM 0 HA GLN A 73 0.123 -5.100 10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.640 -2.293 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.098 -2.394 10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.419 -3.542 12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.242 -4.094 12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.999 -1.615 13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.813 -0.668 14.203 1.00 0.00 H new ATOM 574 N PRO A 74 -1.637 -5.847 8.505 1.00 0.00 N ATOM 575 CA PRO A 74 -2.869 -6.365 7.748 1.00 0.00 C ATOM 576 C PRO A 74 -4.095 -6.542 8.623 1.00 0.00 C ATOM 577 O PRO A 74 -4.184 -5.972 9.719 1.00 0.00 O ATOM 578 CB PRO A 74 -2.456 -7.733 7.217 1.00 0.00 C ATOM 579 CG PRO A 74 -1.640 -8.259 8.410 1.00 0.00 C ATOM 580 CD PRO A 74 -0.868 -7.042 8.927 1.00 0.00 C ATOM 0 HA PRO A 74 -3.151 -5.645 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.314 -8.366 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.861 -7.662 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.290 -8.672 9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.962 -9.056 8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.770 -7.077 10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.141 -7.019 8.516 1.00 0.00 H new ATOM 581 N ASP A 75 -5.189 -7.388 8.067 1.00 0.00 N ATOM 582 CA ASP A 75 -6.328 -7.794 8.875 1.00 0.00 C ATOM 583 C ASP A 75 -7.474 -6.818 8.739 1.00 0.00 C ATOM 584 O ASP A 75 -7.499 -5.748 9.362 1.00 0.00 O ATOM 585 CB ASP A 75 -5.905 -7.959 10.367 1.00 0.00 C ATOM 586 CG ASP A 75 -4.900 -9.078 10.671 1.00 0.00 C ATOM 587 OD1 ASP A 75 -4.328 -9.717 9.799 1.00 0.00 O ATOM 588 OD2 ASP A 75 -4.699 -9.261 12.011 1.00 0.00 O ATOM 0 H ASP A 75 -5.211 -7.730 7.106 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.677 -8.759 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.479 -7.015 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.803 -8.136 10.959 1.00 0.00 H new ATOM 589 N LYS A 76 -8.543 -7.198 7.790 1.00 0.00 N ATOM 590 CA LYS A 76 -9.795 -6.455 7.684 1.00 0.00 C ATOM 591 C LYS A 76 -10.977 -7.368 7.933 1.00 0.00 C ATOM 592 O LYS A 76 -11.484 -7.475 9.058 1.00 0.00 O ATOM 593 CB LYS A 76 -9.897 -5.777 6.292 1.00 0.00 C ATOM 594 CG LYS A 76 -11.300 -5.191 5.994 1.00 0.00 C ATOM 595 CD LYS A 76 -11.984 -4.516 7.186 1.00 0.00 C ATOM 596 CE LYS A 76 -13.370 -4.014 6.757 1.00 0.00 C ATOM 597 NZ LYS A 76 -13.917 -3.133 7.803 1.00 0.00 N ATOM 0 H LYS A 76 -8.477 -7.994 7.155 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.808 -5.676 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.157 -4.979 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.645 -6.506 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.210 -4.465 5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.943 -5.993 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.079 -5.220 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.378 -3.684 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.297 -3.474 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.039 -4.858 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.856 -2.792 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.000 -3.662 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.281 -2.321 7.941 1.00 0.00 H new ATOM 598 N ALA A 77 -11.517 -8.081 6.758 1.00 0.00 N ATOM 599 CA ALA A 77 -12.533 -9.130 6.841 1.00 0.00 C ATOM 600 C ALA A 77 -12.585 -9.803 8.190 1.00 0.00 C ATOM 601 O ALA A 77 -13.632 -9.870 8.849 1.00 0.00 O ATOM 602 CB ALA A 77 -12.242 -10.130 5.698 1.00 0.00 C ATOM 0 H ALA A 77 -11.213 -7.886 5.804 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.524 -8.691 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.978 -10.933 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.298 -9.614 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.244 -10.549 5.826 1.00 0.00 H new ATOM 603 N ASN A 78 -11.323 -10.412 8.667 1.00 0.00 N ATOM 604 CA ASN A 78 -11.197 -11.003 9.995 1.00 0.00 C ATOM 605 C ASN A 78 -9.810 -10.785 10.554 1.00 0.00 C ATOM 606 O ASN A 78 -8.803 -11.240 9.999 1.00 0.00 O ATOM 607 CB ASN A 78 -11.529 -12.522 9.922 1.00 0.00 C ATOM 608 CG ASN A 78 -12.902 -12.906 9.359 1.00 0.00 C ATOM 609 OD1 ASN A 78 -13.864 -13.132 10.079 1.00 0.00 O ATOM 610 ND2 ASN A 78 -13.047 -12.995 8.065 1.00 0.00 N ATOM 0 H ASN A 78 -10.471 -10.458 8.108 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.904 -10.515 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.765 -13.007 9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.447 -12.936 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.952 -13.250 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.255 -12.810 7.449 1.00 0.00 H new ATOM 611 N PRO A 79 -9.733 -10.021 11.818 1.00 0.00 N ATOM 612 CA PRO A 79 -8.459 -9.654 12.579 1.00 0.00 C ATOM 613 C PRO A 79 -7.771 -10.799 13.292 1.00 0.00 C ATOM 614 O PRO A 79 -6.552 -10.771 13.526 1.00 0.00 O ATOM 615 CB PRO A 79 -8.869 -8.616 13.619 1.00 0.00 C ATOM 616 CG PRO A 79 -10.296 -9.082 13.949 1.00 0.00 C ATOM 617 CD PRO A 79 -10.875 -9.466 12.583 1.00 0.00 C ATOM 0 HA PRO A 79 -7.734 -9.300 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -8.218 -8.628 14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.848 -7.602 13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.293 -9.929 14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.877 -8.290 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -11.674 -10.201 12.686 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.302 -8.599 12.079 1.00 0.00 H new ATOM 618 N ARG A 80 -8.622 -11.927 13.727 1.00 0.00 N ATOM 619 CA ARG A 80 -8.060 -13.149 14.294 1.00 0.00 C ATOM 620 C ARG A 80 -7.536 -12.906 15.691 1.00 0.00 C ATOM 621 O ARG A 80 -6.735 -13.681 16.230 1.00 0.00 O ATOM 622 CB ARG A 80 -6.941 -13.676 13.355 1.00 0.00 C ATOM 623 CG ARG A 80 -6.510 -15.146 13.608 1.00 0.00 C ATOM 624 CD ARG A 80 -5.123 -15.459 13.032 1.00 0.00 C ATOM 625 NE ARG A 80 -4.797 -16.874 13.339 1.00 0.00 N ATOM 626 CZ ARG A 80 -3.888 -17.608 12.712 1.00 0.00 C ATOM 627 NH1 ARG A 80 -3.155 -17.183 11.726 1.00 0.00 N ATOM 628 NH2 ARG A 80 -3.726 -18.820 13.110 1.00 0.00 N ATOM 0 H ARG A 80 -9.640 -11.926 13.661 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.842 -13.904 14.373 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.281 -13.585 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.067 -13.034 13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.507 -15.341 14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.244 -15.818 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.113 -15.293 11.955 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.374 -14.795 13.464 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.316 -17.319 14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.261 -16.227 11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.474 -17.806 11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.287 -19.183 13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.037 -19.419 12.655 1.00 0.00 H new ATOM 629 N GLN A 81 -8.050 -11.704 16.383 1.00 0.00 N ATOM 630 CA GLN A 81 -7.516 -11.264 17.668 1.00 0.00 C ATOM 631 C GLN A 81 -6.121 -10.704 17.512 1.00 0.00 C ATOM 632 O GLN A 81 -5.653 -10.423 16.400 1.00 0.00 O ATOM 633 CB GLN A 81 -7.524 -12.461 18.645 1.00 0.00 C ATOM 634 CG GLN A 81 -8.740 -13.439 18.530 1.00 0.00 C ATOM 635 CD GLN A 81 -8.546 -14.917 18.889 1.00 0.00 C ATOM 636 OE1 GLN A 81 -7.691 -15.266 19.688 1.00 0.00 O ATOM 637 NE2 GLN A 81 -9.300 -15.830 18.332 1.00 0.00 N ATOM 0 H GLN A 81 -8.797 -11.114 16.016 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.141 -10.465 18.066 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.609 -13.033 18.493 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.492 -12.073 19.663 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.536 -13.049 19.164 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.101 -13.395 17.502 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.020 -15.558 17.662 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.168 -16.814 18.568 1.00 0.00 H new ATOM 638 N HIS A 82 -5.364 -10.475 18.761 1.00 0.00 N ATOM 639 CA HIS A 82 -4.074 -9.788 18.771 1.00 0.00 C ATOM 640 C HIS A 82 -2.934 -10.778 18.835 1.00 0.00 C ATOM 641 O HIS A 82 -2.352 -11.166 17.812 1.00 0.00 O ATOM 642 CB HIS A 82 -4.076 -8.885 20.015 1.00 0.00 C ATOM 643 CG HIS A 82 -2.746 -8.231 20.248 1.00 0.00 C ATOM 644 ND1 HIS A 82 -2.118 -8.079 21.482 1.00 0.00 N ATOM 645 CD2 HIS A 82 -1.983 -7.694 19.220 1.00 0.00 C ATOM 646 CE1 HIS A 82 -0.997 -7.443 21.093 1.00 0.00 C ATOM 647 NE2 HIS A 82 -0.838 -7.176 19.768 1.00 0.00 N ATOM 0 H HIS A 82 -5.685 -10.775 19.681 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.934 -9.208 17.859 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.841 -8.117 19.902 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.345 -9.477 20.890 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.245 -7.686 18.172 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.245 -7.153 21.812 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.062 -6.708 19.300 1.00 0.00 H new ATOM 648 N ARG A 83 -2.578 -11.286 20.177 1.00 0.00 N ATOM 649 CA ARG A 83 -1.497 -12.247 20.385 1.00 0.00 C ATOM 650 C ARG A 83 -1.780 -13.123 21.583 1.00 0.00 C ATOM 651 O ARG A 83 -0.887 -13.780 22.135 1.00 0.00 O ATOM 652 CB ARG A 83 -0.157 -11.480 20.549 1.00 0.00 C ATOM 653 CG ARG A 83 0.329 -10.722 19.285 1.00 0.00 C ATOM 654 CD ARG A 83 1.855 -10.758 19.129 1.00 0.00 C ATOM 655 NE ARG A 83 2.272 -12.171 18.944 1.00 0.00 N ATOM 656 CZ ARG A 83 3.454 -12.675 19.274 1.00 0.00 C ATOM 657 NH1 ARG A 83 4.422 -11.988 19.805 1.00 0.00 N ATOM 658 NH2 ARG A 83 3.649 -13.926 19.052 1.00 0.00 N ATOM 0 H ARG A 83 -3.056 -11.004 21.033 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.424 -12.903 19.518 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.264 -10.764 21.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.615 -12.189 20.847 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.134 -11.161 18.401 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.003 -9.685 19.337 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.163 -10.156 18.274 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.337 -10.332 20.009 1.00 0.00 H new ATOM 0 HE ARG A 83 1.592 -12.808 18.528 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.298 -10.993 19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.306 -12.444 20.033 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.909 -14.492 18.637 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.544 -14.353 19.291 1.00 0.00 H new ATOM 659 N LEU A 84 -3.184 -13.168 22.046 1.00 0.00 N ATOM 660 CA LEU A 84 -3.576 -13.872 23.263 1.00 0.00 C ATOM 661 C LEU A 84 -3.955 -15.303 22.961 1.00 0.00 C ATOM 662 O LEU A 84 -5.069 -15.601 22.508 1.00 0.00 O ATOM 663 CB LEU A 84 -4.742 -13.128 23.973 1.00 0.00 C ATOM 664 CG LEU A 84 -4.395 -11.901 24.859 1.00 0.00 C ATOM 665 CD1 LEU A 84 -5.046 -10.635 24.285 1.00 0.00 C ATOM 666 CD2 LEU A 84 -4.824 -12.085 26.324 1.00 0.00 C ATOM 0 H LEU A 84 -3.957 -12.719 21.555 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.720 -13.888 23.938 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.443 -12.798 23.206 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.268 -13.851 24.596 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.310 -11.801 24.849 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.796 -9.780 24.914 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.676 -10.462 23.274 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.128 -10.762 24.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.556 -11.197 26.896 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.903 -12.236 26.371 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.318 -12.954 26.745 1.00 0.00 H new ATOM 667 N ASP A 85 -2.916 -16.324 23.215 1.00 0.00 N ATOM 668 CA ASP A 85 -3.132 -17.738 22.919 1.00 0.00 C ATOM 669 C ASP A 85 -2.653 -18.607 24.058 1.00 0.00 C ATOM 670 O ASP A 85 -1.854 -19.538 23.887 1.00 0.00 O ATOM 671 CB ASP A 85 -2.459 -18.114 21.574 1.00 0.00 C ATOM 672 CG ASP A 85 -3.144 -19.208 20.742 1.00 0.00 C ATOM 673 OD1 ASP A 85 -4.328 -19.622 21.284 1.00 0.00 O ATOM 674 OD2 ASP A 85 -2.671 -19.651 19.706 1.00 0.00 O ATOM 0 H ASP A 85 -1.998 -16.113 23.606 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.202 -17.917 22.813 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.393 -17.214 20.963 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.438 -18.434 21.782 1.00 0.00 H new ATOM 675 N LYS A 86 -3.224 -18.306 25.392 1.00 0.00 N ATOM 676 CA LYS A 86 -2.816 -19.039 26.586 1.00 0.00 C ATOM 677 C LYS A 86 -1.371 -18.759 26.926 1.00 0.00 C ATOM 678 O LYS A 86 -0.698 -17.935 26.292 1.00 0.00 O ATOM 679 CB LYS A 86 -3.048 -20.559 26.363 1.00 0.00 C ATOM 680 CG LYS A 86 -4.406 -20.883 25.691 1.00 0.00 C ATOM 681 CD LYS A 86 -5.030 -22.217 26.110 1.00 0.00 C ATOM 682 CE LYS A 86 -4.287 -23.364 25.413 1.00 0.00 C ATOM 683 NZ LYS A 86 -3.911 -24.382 26.410 1.00 0.00 N ATOM 0 H LYS A 86 -3.924 -17.583 25.561 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.420 -18.706 27.430 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.242 -20.955 25.745 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.995 -21.072 27.323 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.109 -20.082 25.920 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.268 -20.887 24.610 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.972 -22.335 27.192 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.087 -22.237 25.843 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.920 -23.808 24.645 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.397 -22.984 24.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.407 -25.160 25.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.292 -23.953 27.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.768 -24.752 26.869 1.00 0.00 H new ATOM 684 N ILE A 87 -0.817 -19.496 28.083 1.00 0.00 N ATOM 685 CA ILE A 87 0.542 -19.270 28.566 1.00 0.00 C ATOM 686 C ILE A 87 1.091 -20.508 29.236 1.00 0.00 C ATOM 687 O ILE A 87 0.369 -21.265 29.899 1.00 0.00 O ATOM 688 CB ILE A 87 0.613 -18.006 29.517 1.00 0.00 C ATOM 689 CG1 ILE A 87 1.122 -16.700 28.828 1.00 0.00 C ATOM 690 CG2 ILE A 87 1.483 -18.254 30.788 1.00 0.00 C ATOM 691 CD1 ILE A 87 0.487 -15.385 29.324 1.00 0.00 C ATOM 0 H ILE A 87 -1.337 -20.197 28.610 1.00 0.00 H new ATOM 0 HA ILE A 87 1.174 -19.057 27.704 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.429 -17.856 29.799 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.201 -16.635 28.968 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.944 -16.785 27.756 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.495 -17.353 31.402 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.061 -19.079 31.362 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.501 -18.503 30.489 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.915 -14.545 28.777 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.590 -15.416 29.158 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.686 -15.264 30.389 1.00 0.00 H new ATOM 692 N THR A 88 2.542 -20.749 29.078 1.00 0.00 N ATOM 693 CA THR A 88 3.204 -21.904 29.676 1.00 0.00 C ATOM 694 C THR A 88 4.227 -21.472 30.699 1.00 0.00 C ATOM 695 O THR A 88 4.822 -20.389 30.608 1.00 0.00 O ATOM 696 CB THR A 88 3.868 -22.792 28.570 1.00 0.00 C ATOM 697 OG1 THR A 88 2.889 -23.259 27.651 1.00 0.00 O ATOM 698 CG2 THR A 88 4.584 -24.070 29.056 1.00 0.00 C ATOM 0 H THR A 88 3.164 -20.136 28.551 1.00 0.00 H new ATOM 0 HA THR A 88 2.448 -22.500 30.188 1.00 0.00 H new ATOM 0 HB THR A 88 4.610 -22.118 28.142 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.321 -23.811 26.966 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.003 -24.600 28.201 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.386 -23.799 29.743 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.870 -24.715 29.568 1.00 0.00 H new ATOM 699 N HIS A 89 4.486 -22.416 31.807 1.00 0.00 N ATOM 700 CA HIS A 89 5.440 -22.119 32.872 1.00 0.00 C ATOM 701 C HIS A 89 6.740 -22.859 32.659 1.00 0.00 C ATOM 702 O HIS A 89 6.767 -24.077 32.436 1.00 0.00 O ATOM 703 CB HIS A 89 4.776 -22.565 34.185 1.00 0.00 C ATOM 704 CG HIS A 89 5.054 -21.618 35.316 1.00 0.00 C ATOM 705 ND1 HIS A 89 4.332 -20.464 35.608 1.00 0.00 N ATOM 706 CD2 HIS A 89 6.097 -21.806 36.212 1.00 0.00 C ATOM 707 CE1 HIS A 89 5.012 -20.035 36.688 1.00 0.00 C ATOM 708 NE2 HIS A 89 6.075 -20.772 37.112 1.00 0.00 N ATOM 0 H HIS A 89 4.024 -23.321 31.900 1.00 0.00 H new ATOM 0 HA HIS A 89 5.683 -21.057 32.890 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.699 -22.643 34.036 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.134 -23.560 34.451 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.802 -22.624 36.202 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.722 -19.131 37.204 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.698 -20.599 37.901 1.00 0.00 H new ATOM 709 N ALA A 90 7.975 -22.048 32.726 1.00 0.00 N ATOM 710 CA ALA A 90 9.295 -22.631 32.508 1.00 0.00 C ATOM 711 C ALA A 90 9.322 -23.450 31.239 1.00 0.00 C ATOM 712 O ALA A 90 9.516 -22.930 30.131 1.00 0.00 O ATOM 713 CB ALA A 90 9.654 -23.453 33.757 1.00 0.00 C ATOM 0 H ALA A 90 7.986 -21.048 32.925 1.00 0.00 H new ATOM 0 HA ALA A 90 10.045 -21.853 32.368 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.638 -23.903 33.626 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.667 -22.801 34.630 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.912 -24.238 33.902 1.00 0.00 H new ATOM 714 N CYS A 91 9.127 -24.909 31.393 1.00 0.00 N ATOM 715 CA CYS A 91 9.278 -25.831 30.272 1.00 0.00 C ATOM 716 C CYS A 91 10.735 -26.015 29.917 1.00 0.00 C ATOM 717 O CYS A 91 11.599 -25.199 30.267 1.00 0.00 O ATOM 718 CB CYS A 91 8.447 -25.303 29.087 1.00 0.00 C ATOM 719 SG CYS A 91 7.726 -26.670 28.151 1.00 0.00 S ATOM 0 H CYS A 91 8.879 -25.358 32.275 1.00 0.00 H new ATOM 0 HA CYS A 91 8.906 -26.818 30.545 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.655 -24.650 29.454 1.00 0.00 H new ATOM 0 HB3 CYS A 91 9.079 -24.702 28.433 1.00 0.00 H new ATOM 0 HG CYS A 91 7.029 -26.198 27.160 1.00 0.00 H new ATOM 720 N ARG A 92 11.065 -27.200 29.097 1.00 0.00 N ATOM 721 CA ARG A 92 12.437 -27.517 28.710 1.00 0.00 C ATOM 722 C ARG A 92 13.290 -27.802 29.923 1.00 0.00 C ATOM 723 O ARG A 92 14.504 -27.616 29.924 1.00 0.00 O ATOM 724 CB ARG A 92 13.011 -26.336 27.879 1.00 0.00 C ATOM 725 CG ARG A 92 12.144 -25.909 26.665 1.00 0.00 C ATOM 726 CD ARG A 92 12.218 -24.401 26.391 1.00 0.00 C ATOM 727 NE ARG A 92 10.839 -23.900 26.160 1.00 0.00 N ATOM 728 CZ ARG A 92 10.472 -22.626 26.165 1.00 0.00 C ATOM 729 NH1 ARG A 92 11.282 -21.630 26.375 1.00 0.00 N ATOM 730 NH2 ARG A 92 9.232 -22.365 25.947 1.00 0.00 N ATOM 731 OXT ARG A 92 12.599 -28.304 31.070 1.00 0.00 O ATOM 0 H ARG A 92 10.370 -27.863 28.753 1.00 0.00 H new ATOM 0 HA ARG A 92 12.443 -28.420 28.099 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.138 -25.476 28.537 1.00 0.00 H new ATOM 0 HB3 ARG A 92 14.002 -26.612 27.520 1.00 0.00 H new ATOM 0 HG2 ARG A 92 12.472 -26.452 25.779 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.107 -26.192 26.846 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.673 -23.884 27.236 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.844 -24.204 25.521 1.00 0.00 H new ATOM 0 HE ARG A 92 10.113 -24.594 25.983 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.271 -21.806 26.551 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.928 -20.674 26.364 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.573 -23.125 25.779 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.908 -21.398 25.942 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 1.660 -1.967 4.214 1.00 0.00 ZN