USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=18 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 50 SER OG : rot 83:sc= -0.259 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.0316 K(o=-0.29,f=-0.87) USER MOD Set 2.1: A 29 GLN : amide:sc= -4.27! C(o=-3.6!,f=-3.9!) USER MOD Set 2.2: A 97 GLN : amide:sc= 0.666 K(o=-3.6,f=-5.7) USER MOD Set 3.1: A 27 ASN : amide:sc= -8.27! C(o=-24!,f=-26!) USER MOD Set 3.2: A 101 SER OG : rot 180:sc= -0.0586 USER MOD Set 3.3: A 104 HIS : no HE2:sc= -15.5! C(o=-24!,f=-26!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.085 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= -3.02! (180deg=-3.16!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0922 K(o=-0.092,f=-1.9!) USER MOD Single : A 16 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.005) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -7.52! C(o=-7.5!,f=-6.8!) USER MOD Single : A 24 SER OG : rot -166:sc= 0.0443 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.63 K(o=-1.6,f=-5.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -11.4! C(o=-11!,f=-9.9!) USER MOD Single : A 48 SER OG : rot 128:sc= -1.82! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= 0.0718 (180deg=0.0214) USER MOD Single : A 55 ASN : amide:sc= -0.11 K(o=-0.11,f=0.44) USER MOD Single : A 60 ASN : amide:sc= 0.341 K(o=0.34,f=-0.83) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0207) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00146) USER MOD Single : A 73 HIS : no HD1:sc= -1.99 K(o=-2,f=-0.37) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-7.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 164:sc= -4.53 (180deg=-6.74!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 99 GLN : amide:sc= -2.79! X(o=-2.8!,f=-2.5) USER MOD Single : A 100 ASN : amide:sc= -1.24! X(o=-1.2!,f=-1.1) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0.107 K(o=0.11,f=-8.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0772) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.517 -15.721 -8.411 1.00 0.00 N ATOM 2 CA MET A 1 -18.557 -14.505 -9.204 1.00 0.00 C ATOM 3 C MET A 1 -17.637 -14.614 -10.422 1.00 0.00 C ATOM 4 O MET A 1 -16.804 -15.516 -10.496 1.00 0.00 O ATOM 5 CB MET A 1 -18.125 -13.317 -8.342 1.00 0.00 C ATOM 6 CG MET A 1 -19.258 -12.870 -7.417 1.00 0.00 C ATOM 7 SD MET A 1 -19.680 -11.168 -7.747 1.00 0.00 S ATOM 8 CE MET A 1 -19.780 -10.544 -6.077 1.00 0.00 C ATOM 0 H1 MET A 1 -19.459 -16.162 -8.405 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.828 -16.382 -8.823 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.236 -15.491 -7.437 1.00 0.00 H new ATOM 0 HA MET A 1 -19.578 -14.357 -9.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.253 -13.592 -7.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.826 -12.488 -8.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.131 -13.505 -7.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.955 -12.983 -6.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.037 -9.485 -6.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.546 -11.092 -5.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.818 -10.674 -5.582 1.00 0.00 H new ATOM 9 N LEU A 2 -17.817 -13.682 -11.346 1.00 0.00 N ATOM 10 CA LEU A 2 -17.013 -13.662 -12.557 1.00 0.00 C ATOM 11 C LEU A 2 -15.553 -13.392 -12.189 1.00 0.00 C ATOM 12 O LEU A 2 -14.698 -14.262 -12.344 1.00 0.00 O ATOM 13 CB LEU A 2 -17.588 -12.665 -13.565 1.00 0.00 C ATOM 14 CG LEU A 2 -17.856 -13.212 -14.969 1.00 0.00 C ATOM 15 CD1 LEU A 2 -18.978 -12.432 -15.656 1.00 0.00 C ATOM 16 CD2 LEU A 2 -16.574 -13.230 -15.804 1.00 0.00 C ATOM 0 H LEU A 2 -18.508 -12.935 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 2 -17.043 -14.633 -13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -18.523 -12.272 -13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -16.899 -11.825 -13.649 1.00 0.00 H new ATOM 0 HG LEU A 2 -18.193 -14.244 -14.875 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -19.148 -12.841 -16.652 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -19.892 -12.516 -15.068 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -18.694 -11.383 -15.738 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.792 -13.623 -16.797 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -16.183 -12.216 -15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.832 -13.864 -15.318 1.00 0.00 H new ATOM 17 N LEU A 3 -15.312 -12.180 -11.707 1.00 0.00 N ATOM 18 CA LEU A 3 -13.969 -11.784 -11.316 1.00 0.00 C ATOM 19 C LEU A 3 -13.495 -12.673 -10.165 1.00 0.00 C ATOM 20 O LEU A 3 -14.059 -13.740 -9.927 1.00 0.00 O ATOM 21 CB LEU A 3 -13.924 -10.289 -10.996 1.00 0.00 C ATOM 22 CG LEU A 3 -12.752 -9.510 -11.595 1.00 0.00 C ATOM 23 CD1 LEU A 3 -12.159 -8.538 -10.573 1.00 0.00 C ATOM 24 CD2 LEU A 3 -11.695 -10.460 -12.162 1.00 0.00 C ATOM 0 H LEU A 3 -16.023 -11.460 -11.579 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.273 -11.932 -12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.852 -9.835 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.898 -10.170 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.128 -8.913 -12.426 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.328 -7.997 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.925 -7.829 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.802 -9.094 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.873 -9.881 -12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.318 -11.101 -11.366 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.141 -11.076 -12.943 1.00 0.00 H new ATOM 25 N GLU A 4 -12.461 -12.202 -9.482 1.00 0.00 N ATOM 26 CA GLU A 4 -11.904 -12.941 -8.363 1.00 0.00 C ATOM 27 C GLU A 4 -11.996 -12.111 -7.081 1.00 0.00 C ATOM 28 O GLU A 4 -13.033 -11.515 -6.795 1.00 0.00 O ATOM 29 CB GLU A 4 -10.460 -13.358 -8.645 1.00 0.00 C ATOM 30 CG GLU A 4 -10.068 -14.579 -7.809 1.00 0.00 C ATOM 31 CD GLU A 4 -9.532 -15.702 -8.698 1.00 0.00 C ATOM 32 OE1 GLU A 4 -10.203 -15.993 -9.712 1.00 0.00 O ATOM 33 OE2 GLU A 4 -8.464 -16.246 -8.343 1.00 0.00 O ATOM 0 H GLU A 4 -11.995 -11.317 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.489 -13.851 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.344 -13.586 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.788 -12.529 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.311 -14.296 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.933 -14.935 -7.250 1.00 0.00 H new ATOM 34 N LYS A 5 -10.895 -12.098 -6.343 1.00 0.00 N ATOM 35 CA LYS A 5 -10.837 -11.350 -5.098 1.00 0.00 C ATOM 36 C LYS A 5 -11.104 -9.872 -5.384 1.00 0.00 C ATOM 37 O LYS A 5 -11.244 -9.072 -4.459 1.00 0.00 O ATOM 38 CB LYS A 5 -9.511 -11.609 -4.380 1.00 0.00 C ATOM 39 CG LYS A 5 -8.331 -11.089 -5.202 1.00 0.00 C ATOM 40 CD LYS A 5 -6.999 -11.488 -4.565 1.00 0.00 C ATOM 41 CE LYS A 5 -6.631 -12.930 -4.920 1.00 0.00 C ATOM 42 NZ LYS A 5 -6.270 -13.034 -6.351 1.00 0.00 N ATOM 0 H LYS A 5 -10.036 -12.593 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.615 -11.687 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.521 -11.123 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.392 -12.678 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.387 -11.486 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.389 -10.003 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.213 -10.814 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.063 -11.381 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.796 -13.261 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.470 -13.590 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.990 -14.012 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.089 -12.770 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.477 -12.393 -6.556 1.00 0.00 H new ATOM 43 N ALA A 6 -11.168 -9.552 -6.668 1.00 0.00 N ATOM 44 CA ALA A 6 -11.415 -8.182 -7.087 1.00 0.00 C ATOM 45 C ALA A 6 -10.162 -7.342 -6.835 1.00 0.00 C ATOM 46 O ALA A 6 -10.238 -6.117 -6.752 1.00 0.00 O ATOM 47 CB ALA A 6 -12.641 -7.637 -6.350 1.00 0.00 C ATOM 0 H ALA A 6 -11.053 -10.218 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.630 -8.140 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.827 -6.610 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.510 -8.251 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.460 -7.661 -5.275 1.00 0.00 H new ATOM 48 N TYR A 7 -9.038 -8.034 -6.720 1.00 0.00 N ATOM 49 CA TYR A 7 -7.770 -7.366 -6.479 1.00 0.00 C ATOM 50 C TYR A 7 -7.775 -6.650 -5.127 1.00 0.00 C ATOM 51 O TYR A 7 -6.988 -5.732 -4.904 1.00 0.00 O ATOM 52 CB TYR A 7 -7.622 -6.327 -7.593 1.00 0.00 C ATOM 53 CG TYR A 7 -8.364 -6.686 -8.881 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.138 -7.902 -9.492 1.00 0.00 C ATOM 55 CD2 TYR A 7 -9.261 -5.794 -9.433 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.836 -8.240 -10.705 1.00 0.00 C ATOM 57 CE2 TYR A 7 -9.960 -6.132 -10.646 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.713 -7.338 -11.222 1.00 0.00 C ATOM 0 H TYR A 7 -8.979 -9.050 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.953 -8.087 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.988 -5.366 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.563 -6.200 -7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.437 -8.601 -9.060 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.439 -4.842 -8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.667 -9.188 -11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.664 -5.443 -11.088 1.00 0.00 H new ATOM 59 N ARG A 8 -8.672 -7.097 -4.260 1.00 0.00 N ATOM 60 CA ARG A 8 -8.790 -6.511 -2.936 1.00 0.00 C ATOM 61 C ARG A 8 -7.613 -6.939 -2.058 1.00 0.00 C ATOM 62 O ARG A 8 -7.133 -8.067 -2.165 1.00 0.00 O ATOM 63 CB ARG A 8 -10.099 -6.929 -2.263 1.00 0.00 C ATOM 64 CG ARG A 8 -10.601 -5.839 -1.314 1.00 0.00 C ATOM 65 CD ARG A 8 -10.810 -6.395 0.096 1.00 0.00 C ATOM 66 NE ARG A 8 -10.709 -5.303 1.090 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.409 -5.489 2.383 1.00 0.00 C ATOM 0 H ARG A 8 -9.324 -7.858 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.785 -5.427 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.854 -7.131 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.948 -7.856 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.883 -5.019 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.538 -5.428 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.787 -6.873 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.064 -7.161 0.308 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.878 -4.349 0.771 1.00 0.00 H new ATOM 68 N ILE A 9 -7.182 -6.017 -1.210 1.00 0.00 N ATOM 69 CA ILE A 9 -6.070 -6.286 -0.315 1.00 0.00 C ATOM 70 C ILE A 9 -6.426 -5.803 1.093 1.00 0.00 C ATOM 71 O ILE A 9 -6.746 -4.631 1.289 1.00 0.00 O ATOM 72 CB ILE A 9 -4.779 -5.677 -0.866 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.977 -6.715 -1.654 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.951 -5.042 0.254 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.043 -6.037 -2.658 1.00 0.00 C ATOM 0 H ILE A 9 -7.583 -5.083 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.886 -7.358 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.045 -4.880 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.395 -7.329 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.658 -7.384 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.039 -4.617 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.532 -4.254 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.692 -5.802 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.484 -6.796 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.631 -5.444 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.348 -5.387 -2.127 1.00 0.00 H new ATOM 76 N LYS A 10 -6.359 -6.730 2.037 1.00 0.00 N ATOM 77 CA LYS A 10 -6.670 -6.414 3.420 1.00 0.00 C ATOM 78 C LYS A 10 -6.161 -5.008 3.744 1.00 0.00 C ATOM 79 O LYS A 10 -6.795 -4.273 4.500 1.00 0.00 O ATOM 80 CB LYS A 10 -6.124 -7.496 4.353 1.00 0.00 C ATOM 81 CG LYS A 10 -7.137 -7.840 5.448 1.00 0.00 C ATOM 82 CD LYS A 10 -6.509 -7.713 6.836 1.00 0.00 C ATOM 83 CE LYS A 10 -7.545 -7.969 7.932 1.00 0.00 C ATOM 84 NZ LYS A 10 -6.902 -7.968 9.265 1.00 0.00 N ATOM 0 H LYS A 10 -6.094 -7.701 1.871 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.749 -6.407 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.887 -8.391 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.194 -7.154 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.998 -7.176 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.504 -8.856 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.688 -8.423 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.085 -6.716 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.319 -7.203 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.036 -8.927 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.620 -8.143 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.180 -8.715 9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.454 -7.045 9.434 1.00 0.00 H new ATOM 85 N LYS A 11 -5.021 -4.676 3.156 1.00 0.00 N ATOM 86 CA LYS A 11 -4.420 -3.371 3.373 1.00 0.00 C ATOM 87 C LYS A 11 -3.450 -3.451 4.554 1.00 0.00 C ATOM 88 O LYS A 11 -2.655 -2.537 4.771 1.00 0.00 O ATOM 89 CB LYS A 11 -5.503 -2.303 3.537 1.00 0.00 C ATOM 90 CG LYS A 11 -5.727 -1.971 5.014 1.00 0.00 C ATOM 91 CD LYS A 11 -7.166 -1.509 5.260 1.00 0.00 C ATOM 92 CE LYS A 11 -7.803 -2.289 6.411 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.280 -1.364 7.463 1.00 0.00 N ATOM 0 H LYS A 11 -4.498 -5.288 2.530 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.838 -3.070 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.214 -1.401 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.435 -2.654 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.514 -2.849 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.032 -1.190 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.175 -0.443 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.756 -1.645 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.636 -2.885 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.077 -2.985 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.710 -1.910 8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.478 -0.814 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.988 -0.717 7.061 1.00 0.00 H new ATOM 94 N ASN A 12 -3.550 -4.550 5.286 1.00 0.00 N ATOM 95 CA ASN A 12 -2.691 -4.761 6.440 1.00 0.00 C ATOM 96 C ASN A 12 -1.759 -5.944 6.168 1.00 0.00 C ATOM 97 O ASN A 12 -0.706 -5.780 5.552 1.00 0.00 O ATOM 98 CB ASN A 12 -3.515 -5.086 7.687 1.00 0.00 C ATOM 99 CG ASN A 12 -4.020 -3.808 8.359 1.00 0.00 C ATOM 100 OD1 ASN A 12 -3.691 -2.699 7.970 1.00 0.00 O ATOM 101 ND2 ASN A 12 -4.836 -4.023 9.387 1.00 0.00 N ATOM 0 H ASN A 12 -4.212 -5.304 5.103 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.124 -3.846 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.361 -5.716 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.907 -5.655 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.227 -3.234 9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.071 -4.977 9.661 1.00 0.00 H new ATOM 102 N ALA A 13 -2.179 -7.108 6.639 1.00 0.00 N ATOM 103 CA ALA A 13 -1.395 -8.317 6.454 1.00 0.00 C ATOM 104 C ALA A 13 -1.058 -8.479 4.971 1.00 0.00 C ATOM 105 O ALA A 13 0.060 -8.855 4.623 1.00 0.00 O ATOM 106 CB ALA A 13 -2.166 -9.516 7.011 1.00 0.00 C ATOM 0 H ALA A 13 -3.053 -7.240 7.149 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.454 -8.252 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.578 -10.423 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.355 -9.365 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.115 -9.615 6.484 1.00 0.00 H new ATOM 107 N ASP A 14 -2.045 -8.187 4.137 1.00 0.00 N ATOM 108 CA ASP A 14 -1.867 -8.295 2.699 1.00 0.00 C ATOM 109 C ASP A 14 -0.798 -7.300 2.246 1.00 0.00 C ATOM 110 O ASP A 14 -0.149 -7.503 1.220 1.00 0.00 O ATOM 111 CB ASP A 14 -3.164 -7.968 1.957 1.00 0.00 C ATOM 112 CG ASP A 14 -4.177 -9.112 1.889 1.00 0.00 C ATOM 113 OD1 ASP A 14 -4.227 -9.885 2.870 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.877 -9.189 0.856 1.00 0.00 O ATOM 0 H ASP A 14 -2.971 -7.876 4.430 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.571 -9.319 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.636 -7.113 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.916 -7.662 0.941 1.00 0.00 H new ATOM 115 N PHE A 15 -0.647 -6.244 3.031 1.00 0.00 N ATOM 116 CA PHE A 15 0.333 -5.215 2.724 1.00 0.00 C ATOM 117 C PHE A 15 1.685 -5.538 3.362 1.00 0.00 C ATOM 118 O PHE A 15 2.732 -5.300 2.760 1.00 0.00 O ATOM 119 CB PHE A 15 -0.195 -3.905 3.310 1.00 0.00 C ATOM 120 CG PHE A 15 -0.648 -2.891 2.258 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.740 -3.147 1.491 1.00 0.00 C ATOM 122 CD2 PHE A 15 0.042 -1.730 2.092 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.161 -2.206 0.515 1.00 0.00 C ATOM 124 CE2 PHE A 15 -0.377 -0.788 1.115 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.471 -1.045 0.347 1.00 0.00 C ATOM 0 H PHE A 15 -1.187 -6.078 3.880 1.00 0.00 H new ATOM 0 HA PHE A 15 0.477 -5.149 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.033 -4.126 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.584 -3.453 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.289 -4.068 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.908 -1.525 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.029 -2.411 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.172 0.132 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.791 -0.328 -0.395 1.00 0.00 H new ATOM 126 N GLN A 16 1.621 -6.076 4.571 1.00 0.00 N ATOM 127 CA GLN A 16 2.827 -6.433 5.297 1.00 0.00 C ATOM 128 C GLN A 16 3.562 -7.567 4.579 1.00 0.00 C ATOM 129 O GLN A 16 4.780 -7.517 4.418 1.00 0.00 O ATOM 130 CB GLN A 16 2.504 -6.818 6.741 1.00 0.00 C ATOM 131 CG GLN A 16 1.395 -5.930 7.311 1.00 0.00 C ATOM 132 CD GLN A 16 1.772 -5.402 8.696 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.741 -4.683 8.872 1.00 0.00 O ATOM 134 NE2 GLN A 16 0.953 -5.798 9.667 1.00 0.00 N ATOM 0 H GLN A 16 0.751 -6.273 5.066 1.00 0.00 H new ATOM 0 HA GLN A 16 3.482 -5.562 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.195 -7.863 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.400 -6.726 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.212 -5.093 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.467 -6.498 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.159 -6.401 9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.119 -5.499 10.628 1.00 0.00 H new ATOM 135 N ARG A 17 2.790 -8.563 4.167 1.00 0.00 N ATOM 136 CA ARG A 17 3.352 -9.707 3.471 1.00 0.00 C ATOM 137 C ARG A 17 4.180 -9.243 2.270 1.00 0.00 C ATOM 138 O ARG A 17 5.047 -9.972 1.790 1.00 0.00 O ATOM 139 CB ARG A 17 2.252 -10.653 2.988 1.00 0.00 C ATOM 140 CG ARG A 17 2.537 -12.093 3.422 1.00 0.00 C ATOM 141 CD ARG A 17 1.961 -12.369 4.814 1.00 0.00 C ATOM 142 NE ARG A 17 2.982 -13.019 5.664 1.00 0.00 N ATOM 143 CZ ARG A 17 2.760 -13.439 6.916 1.00 0.00 C ATOM 0 H ARG A 17 1.780 -8.600 4.302 1.00 0.00 H new ATOM 0 HA ARG A 17 3.992 -10.241 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.290 -10.332 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.177 -10.605 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.104 -12.787 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.613 -12.269 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.634 -11.436 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.082 -13.009 4.733 1.00 0.00 H new ATOM 0 HE ARG A 17 3.914 -13.156 5.272 1.00 0.00 H new ATOM 144 N ILE A 18 3.883 -8.034 1.820 1.00 0.00 N ATOM 145 CA ILE A 18 4.588 -7.464 0.684 1.00 0.00 C ATOM 146 C ILE A 18 5.882 -6.806 1.170 1.00 0.00 C ATOM 147 O ILE A 18 6.973 -7.189 0.749 1.00 0.00 O ATOM 148 CB ILE A 18 3.674 -6.517 -0.095 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.212 -6.958 0.009 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.130 -6.386 -1.550 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.051 -8.422 -0.404 1.00 0.00 C ATOM 0 H ILE A 18 3.164 -7.432 2.221 1.00 0.00 H new ATOM 0 HA ILE A 18 4.871 -8.247 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 18 3.746 -5.527 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.860 -6.824 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.592 -6.327 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.463 -5.707 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.146 -5.992 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.107 -7.365 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.003 -8.710 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.381 -8.548 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.654 -9.053 0.250 1.00 0.00 H new ATOM 152 N TYR A 19 5.718 -5.830 2.050 1.00 0.00 N ATOM 153 CA TYR A 19 6.859 -5.116 2.598 1.00 0.00 C ATOM 154 C TYR A 19 7.779 -6.064 3.369 1.00 0.00 C ATOM 155 O TYR A 19 8.915 -5.712 3.685 1.00 0.00 O ATOM 156 CB TYR A 19 6.284 -4.082 3.567 1.00 0.00 C ATOM 157 CG TYR A 19 5.781 -2.806 2.890 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.643 -2.842 2.110 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.466 -1.620 3.058 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.170 -1.640 1.471 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.991 -0.418 2.420 1.00 0.00 C ATOM 162 CZ TYR A 19 4.867 -0.489 1.658 1.00 0.00 C ATOM 0 H TYR A 19 4.812 -5.516 2.398 1.00 0.00 H new ATOM 0 HA TYR A 19 7.446 -4.660 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.462 -4.536 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.050 -3.817 4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.107 -3.770 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.357 -1.592 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.281 -1.654 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.516 0.518 2.544 1.00 0.00 H new ATOM 163 N LYS A 20 7.255 -7.249 3.650 1.00 0.00 N ATOM 164 CA LYS A 20 8.016 -8.249 4.379 1.00 0.00 C ATOM 165 C LYS A 20 9.341 -8.503 3.656 1.00 0.00 C ATOM 166 O LYS A 20 10.380 -7.982 4.058 1.00 0.00 O ATOM 167 CB LYS A 20 7.178 -9.513 4.587 1.00 0.00 C ATOM 168 CG LYS A 20 7.915 -10.521 5.471 1.00 0.00 C ATOM 169 CD LYS A 20 7.339 -10.531 6.887 1.00 0.00 C ATOM 170 CE LYS A 20 8.402 -10.945 7.907 1.00 0.00 C ATOM 171 NZ LYS A 20 7.822 -10.996 9.269 1.00 0.00 N ATOM 0 H LYS A 20 6.313 -7.538 3.386 1.00 0.00 H new ATOM 0 HA LYS A 20 8.261 -7.888 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.225 -9.250 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.953 -9.967 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.837 -11.517 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.975 -10.271 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.957 -9.541 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.495 -11.219 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.808 -11.921 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.231 -10.238 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.557 -11.278 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.455 -10.057 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.046 -11.688 9.290 1.00 0.00 H new ATOM 172 N LYS A 21 9.260 -9.302 2.604 1.00 0.00 N ATOM 173 CA LYS A 21 10.440 -9.631 1.821 1.00 0.00 C ATOM 174 C LYS A 21 10.166 -9.337 0.345 1.00 0.00 C ATOM 175 O LYS A 21 10.927 -9.755 -0.526 1.00 0.00 O ATOM 176 CB LYS A 21 10.877 -11.072 2.091 1.00 0.00 C ATOM 177 CG LYS A 21 12.326 -11.124 2.578 1.00 0.00 C ATOM 178 CD LYS A 21 13.049 -12.353 2.022 1.00 0.00 C ATOM 179 CE LYS A 21 14.471 -12.452 2.578 1.00 0.00 C ATOM 180 NZ LYS A 21 15.342 -13.198 1.643 1.00 0.00 N ATOM 0 H LYS A 21 8.396 -9.732 2.274 1.00 0.00 H new ATOM 0 HA LYS A 21 11.282 -9.006 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.222 -11.520 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.774 -11.663 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.850 -10.219 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.346 -11.148 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.491 -13.254 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.083 -12.298 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.874 -11.453 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.455 -12.952 3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.303 -13.256 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.965 -14.158 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.371 -12.705 0.728 1.00 0.00 H new ATOM 181 N GLY A 22 9.078 -8.620 0.110 1.00 0.00 N ATOM 182 CA GLY A 22 8.694 -8.265 -1.246 1.00 0.00 C ATOM 183 C GLY A 22 9.726 -7.332 -1.882 1.00 0.00 C ATOM 184 O GLY A 22 10.733 -6.998 -1.259 1.00 0.00 O ATOM 0 H GLY A 22 8.450 -8.275 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.595 -9.168 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.718 -7.780 -1.236 1.00 0.00 H new ATOM 185 N HIS A 23 9.440 -6.936 -3.114 1.00 0.00 N ATOM 186 CA HIS A 23 10.330 -6.048 -3.840 1.00 0.00 C ATOM 187 C HIS A 23 9.602 -4.741 -4.162 1.00 0.00 C ATOM 188 O HIS A 23 8.697 -4.720 -4.995 1.00 0.00 O ATOM 189 CB HIS A 23 10.889 -6.738 -5.086 1.00 0.00 C ATOM 190 CG HIS A 23 11.739 -5.843 -5.956 1.00 0.00 C ATOM 191 ND1 HIS A 23 12.978 -6.224 -6.440 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.515 -4.580 -6.423 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.469 -5.228 -7.163 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.561 -4.211 -7.152 1.00 0.00 N ATOM 0 H HIS A 23 8.604 -7.215 -3.627 1.00 0.00 H new ATOM 0 HA HIS A 23 11.189 -5.800 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.484 -7.597 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.059 -7.122 -5.679 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.436 -7.119 -6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.636 -3.982 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.422 -5.223 -7.672 1.00 0.00 H new ATOM 195 N SER A 24 10.024 -3.684 -3.485 1.00 0.00 N ATOM 196 CA SER A 24 9.424 -2.376 -3.689 1.00 0.00 C ATOM 197 C SER A 24 10.223 -1.588 -4.728 1.00 0.00 C ATOM 198 O SER A 24 11.453 -1.647 -4.746 1.00 0.00 O ATOM 199 CB SER A 24 9.345 -1.595 -2.375 1.00 0.00 C ATOM 200 OG SER A 24 10.616 -1.497 -1.737 1.00 0.00 O ATOM 0 H SER A 24 10.774 -3.706 -2.794 1.00 0.00 H new ATOM 0 HA SER A 24 8.408 -2.520 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.959 -0.595 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.639 -2.084 -1.704 1.00 0.00 H new ATOM 0 HG SER A 24 10.495 -1.202 -0.810 1.00 0.00 H new ATOM 201 N VAL A 25 9.495 -0.869 -5.569 1.00 0.00 N ATOM 202 CA VAL A 25 10.122 -0.071 -6.609 1.00 0.00 C ATOM 203 C VAL A 25 9.516 1.334 -6.601 1.00 0.00 C ATOM 204 O VAL A 25 8.301 1.491 -6.709 1.00 0.00 O ATOM 205 CB VAL A 25 9.985 -0.773 -7.961 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.689 -2.132 -7.946 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.515 -0.921 -8.357 1.00 0.00 C ATOM 0 H VAL A 25 8.476 -0.822 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 25 11.190 0.034 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 25 10.472 -0.151 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.577 -2.611 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.748 -1.991 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.244 -2.764 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.447 -1.423 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.993 -1.511 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.056 0.065 -8.428 1.00 0.00 H new ATOM 208 N ALA A 26 10.392 2.321 -6.471 1.00 0.00 N ATOM 209 CA ALA A 26 9.959 3.707 -6.449 1.00 0.00 C ATOM 210 C ALA A 26 10.599 4.456 -7.619 1.00 0.00 C ATOM 211 O ALA A 26 11.809 4.372 -7.827 1.00 0.00 O ATOM 212 CB ALA A 26 10.311 4.329 -5.096 1.00 0.00 C ATOM 0 H ALA A 26 11.399 2.187 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 26 8.878 3.774 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.986 5.369 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.808 3.779 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.389 4.283 -4.944 1.00 0.00 H new ATOM 213 N ASN A 27 9.759 5.172 -8.352 1.00 0.00 N ATOM 214 CA ASN A 27 10.228 5.935 -9.496 1.00 0.00 C ATOM 215 C ASN A 27 10.725 7.303 -9.022 1.00 0.00 C ATOM 216 O ASN A 27 11.877 7.442 -8.615 1.00 0.00 O ATOM 217 CB ASN A 27 9.100 6.165 -10.504 1.00 0.00 C ATOM 218 CG ASN A 27 9.511 7.193 -11.561 1.00 0.00 C ATOM 219 OD1 ASN A 27 10.587 7.766 -11.522 1.00 0.00 O ATOM 220 ND2 ASN A 27 8.595 7.394 -12.505 1.00 0.00 N ATOM 0 H ASN A 27 8.757 5.240 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 27 11.029 5.370 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.842 5.223 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.207 6.510 -9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.774 8.061 -13.255 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.714 6.881 -12.478 1.00 0.00 H new ATOM 221 N ARG A 28 9.831 8.277 -9.090 1.00 0.00 N ATOM 222 CA ARG A 28 10.163 9.629 -8.674 1.00 0.00 C ATOM 223 C ARG A 28 9.393 9.998 -7.405 1.00 0.00 C ATOM 224 O ARG A 28 9.990 10.382 -6.400 1.00 0.00 O ATOM 225 CB ARG A 28 9.835 10.642 -9.773 1.00 0.00 C ATOM 226 CG ARG A 28 11.031 11.554 -10.052 1.00 0.00 C ATOM 227 CD ARG A 28 10.948 12.151 -11.458 1.00 0.00 C ATOM 228 NE ARG A 28 11.984 11.549 -12.326 1.00 0.00 N ATOM 229 CZ ARG A 28 13.291 11.831 -12.243 1.00 0.00 C ATOM 0 H ARG A 28 8.876 8.157 -9.427 1.00 0.00 H new ATOM 0 HA ARG A 28 11.234 9.660 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.554 10.116 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.976 11.243 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.062 12.355 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.957 10.988 -9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.959 11.972 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.084 13.232 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 28 11.684 10.877 -13.032 1.00 0.00 H new ATOM 230 N GLN A 29 8.077 9.870 -7.490 1.00 0.00 N ATOM 231 CA GLN A 29 7.219 10.185 -6.362 1.00 0.00 C ATOM 232 C GLN A 29 6.204 9.062 -6.137 1.00 0.00 C ATOM 233 O GLN A 29 5.228 9.240 -5.409 1.00 0.00 O ATOM 234 CB GLN A 29 6.515 11.528 -6.566 1.00 0.00 C ATOM 235 CG GLN A 29 7.522 12.629 -6.904 1.00 0.00 C ATOM 236 CD GLN A 29 7.338 13.117 -8.342 1.00 0.00 C ATOM 237 OE1 GLN A 29 8.281 13.263 -9.102 1.00 0.00 O ATOM 238 NE2 GLN A 29 6.072 13.360 -8.673 1.00 0.00 N ATOM 0 H GLN A 29 7.584 9.552 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 29 7.841 10.270 -5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.783 11.441 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.967 11.796 -5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.399 13.464 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.536 12.253 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.329 13.217 -7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.844 13.689 -9.611 1.00 0.00 H new ATOM 239 N PHE A 30 6.468 7.932 -6.775 1.00 0.00 N ATOM 240 CA PHE A 30 5.589 6.781 -6.655 1.00 0.00 C ATOM 241 C PHE A 30 6.358 5.554 -6.158 1.00 0.00 C ATOM 242 O PHE A 30 7.526 5.371 -6.497 1.00 0.00 O ATOM 243 CB PHE A 30 5.037 6.491 -8.052 1.00 0.00 C ATOM 244 CG PHE A 30 3.594 5.984 -8.057 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.317 4.714 -7.658 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.588 6.803 -8.463 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.978 4.244 -7.663 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.247 6.334 -8.469 1.00 0.00 C ATOM 249 CZ PHE A 30 0.971 5.064 -8.069 1.00 0.00 C ATOM 0 H PHE A 30 7.279 7.788 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 30 4.794 6.993 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.094 7.400 -8.650 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.673 5.750 -8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.116 4.063 -7.337 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.808 7.811 -8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.758 3.236 -7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.448 6.985 -8.791 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.048 4.706 -8.074 1.00 0.00 H new ATOM 250 N VAL A 31 5.671 4.748 -5.363 1.00 0.00 N ATOM 251 CA VAL A 31 6.274 3.544 -4.817 1.00 0.00 C ATOM 252 C VAL A 31 5.273 2.390 -4.906 1.00 0.00 C ATOM 253 O VAL A 31 4.235 2.413 -4.246 1.00 0.00 O ATOM 254 CB VAL A 31 6.761 3.804 -3.390 1.00 0.00 C ATOM 255 CG1 VAL A 31 6.172 5.104 -2.838 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.434 2.622 -2.475 1.00 0.00 C ATOM 0 H VAL A 31 4.703 4.905 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 31 7.150 3.259 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 31 7.845 3.914 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.534 5.265 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.478 5.939 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.084 5.036 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.791 2.833 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.355 2.466 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.923 1.724 -2.852 1.00 0.00 H new ATOM 257 N VAL A 32 5.619 1.411 -5.727 1.00 0.00 N ATOM 258 CA VAL A 32 4.763 0.251 -5.911 1.00 0.00 C ATOM 259 C VAL A 32 5.464 -0.989 -5.350 1.00 0.00 C ATOM 260 O VAL A 32 6.496 -1.410 -5.868 1.00 0.00 O ATOM 261 CB VAL A 32 4.386 0.108 -7.387 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.674 1.362 -7.895 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.617 -0.207 -8.239 1.00 0.00 C ATOM 0 H VAL A 32 6.481 1.396 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 32 3.830 0.374 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 32 3.694 -0.729 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.417 1.234 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.764 1.524 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.332 2.224 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.321 -0.304 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.344 0.599 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.064 -1.142 -7.901 1.00 0.00 H new ATOM 264 N TYR A 33 4.874 -1.538 -4.298 1.00 0.00 N ATOM 265 CA TYR A 33 5.428 -2.720 -3.661 1.00 0.00 C ATOM 266 C TYR A 33 4.793 -3.994 -4.222 1.00 0.00 C ATOM 267 O TYR A 33 3.580 -4.052 -4.417 1.00 0.00 O ATOM 268 CB TYR A 33 5.079 -2.601 -2.176 1.00 0.00 C ATOM 269 CG TYR A 33 6.157 -1.912 -1.337 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.501 -0.602 -1.599 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.783 -2.599 -0.317 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.515 0.048 -0.808 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.797 -1.950 0.473 1.00 0.00 C ATOM 274 CZ TYR A 33 8.112 -0.659 0.188 1.00 0.00 C ATOM 0 H TYR A 33 4.017 -1.185 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 33 6.502 -2.782 -3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.146 -2.047 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.902 -3.599 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.011 -0.064 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.512 -3.624 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.794 1.073 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.296 -2.477 1.273 1.00 0.00 H new ATOM 275 N THR A 34 5.641 -4.982 -4.466 1.00 0.00 N ATOM 276 CA THR A 34 5.178 -6.250 -5.001 1.00 0.00 C ATOM 277 C THR A 34 5.865 -7.414 -4.284 1.00 0.00 C ATOM 278 O THR A 34 6.890 -7.227 -3.631 1.00 0.00 O ATOM 279 CB THR A 34 5.418 -6.243 -6.512 1.00 0.00 C ATOM 280 OG1 THR A 34 6.822 -6.042 -6.640 1.00 0.00 O ATOM 281 CG2 THR A 34 4.803 -5.019 -7.195 1.00 0.00 C ATOM 0 H THR A 34 6.646 -4.930 -4.303 1.00 0.00 H new ATOM 0 HA THR A 34 4.110 -6.385 -4.827 1.00 0.00 H new ATOM 0 HB THR A 34 5.004 -7.151 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.065 -6.026 -7.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.001 -5.062 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.726 -5.010 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.243 -4.112 -6.781 1.00 0.00 H new ATOM 282 N CYS A 35 5.272 -8.591 -4.430 1.00 0.00 N ATOM 283 CA CYS A 35 5.815 -9.785 -3.804 1.00 0.00 C ATOM 284 C CYS A 35 5.201 -11.007 -4.489 1.00 0.00 C ATOM 285 O CYS A 35 3.986 -11.080 -4.664 1.00 0.00 O ATOM 286 CB CYS A 35 5.568 -9.794 -2.294 1.00 0.00 C ATOM 287 SG CYS A 35 6.265 -11.316 -1.555 1.00 0.00 S ATOM 0 H CYS A 35 4.422 -8.743 -4.972 1.00 0.00 H new ATOM 0 HA CYS A 35 6.898 -9.804 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.025 -8.916 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.498 -9.739 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 35 6.052 -11.313 -0.273 1.00 0.00 H new ATOM 288 N ASN A 36 6.070 -11.936 -4.860 1.00 0.00 N ATOM 289 CA ASN A 36 5.629 -13.152 -5.522 1.00 0.00 C ATOM 290 C ASN A 36 4.837 -14.007 -4.532 1.00 0.00 C ATOM 291 O ASN A 36 5.396 -14.890 -3.883 1.00 0.00 O ATOM 292 CB ASN A 36 6.821 -13.976 -6.013 1.00 0.00 C ATOM 293 CG ASN A 36 6.895 -13.977 -7.541 1.00 0.00 C ATOM 294 OD1 ASN A 36 7.494 -13.112 -8.159 1.00 0.00 O ATOM 295 ND2 ASN A 36 6.257 -14.993 -8.113 1.00 0.00 N ATOM 0 H ASN A 36 7.077 -11.871 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 36 5.013 -12.867 -6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.744 -13.568 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.735 -15.000 -5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.249 -15.083 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.775 -15.683 -7.536 1.00 0.00 H new ATOM 296 N ASN A 37 3.546 -13.719 -4.449 1.00 0.00 N ATOM 297 CA ASN A 37 2.671 -14.451 -3.549 1.00 0.00 C ATOM 298 C ASN A 37 2.788 -15.948 -3.839 1.00 0.00 C ATOM 299 O ASN A 37 3.598 -16.363 -4.666 1.00 0.00 O ATOM 300 CB ASN A 37 1.210 -14.043 -3.747 1.00 0.00 C ATOM 301 CG ASN A 37 0.904 -13.805 -5.228 1.00 0.00 C ATOM 302 OD1 ASN A 37 0.965 -14.700 -6.053 1.00 0.00 O ATOM 303 ND2 ASN A 37 0.574 -12.549 -5.516 1.00 0.00 N ATOM 0 H ASN A 37 3.085 -12.988 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 37 2.972 -14.224 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.555 -14.822 -3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.001 -13.137 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.353 -12.287 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.542 -11.848 -4.776 1.00 0.00 H new ATOM 304 N LYS A 38 1.966 -16.719 -3.142 1.00 0.00 N ATOM 305 CA LYS A 38 1.967 -18.162 -3.313 1.00 0.00 C ATOM 306 C LYS A 38 1.301 -18.514 -4.645 1.00 0.00 C ATOM 307 O LYS A 38 0.294 -19.218 -4.673 1.00 0.00 O ATOM 308 CB LYS A 38 1.323 -18.846 -2.105 1.00 0.00 C ATOM 309 CG LYS A 38 1.769 -20.306 -1.999 1.00 0.00 C ATOM 310 CD LYS A 38 3.160 -20.409 -1.371 1.00 0.00 C ATOM 311 CE LYS A 38 4.118 -21.181 -2.281 1.00 0.00 C ATOM 312 NZ LYS A 38 4.984 -22.077 -1.483 1.00 0.00 N ATOM 0 H LYS A 38 1.295 -16.371 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 38 2.989 -18.539 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.593 -18.312 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.237 -18.799 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.052 -20.866 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.779 -20.760 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.554 -19.410 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.090 -20.908 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.550 -21.765 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.733 -20.482 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.627 -22.593 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.540 -21.513 -0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.394 -22.756 -0.961 1.00 0.00 H new ATOM 313 N GLU A 39 1.891 -18.004 -5.717 1.00 0.00 N ATOM 314 CA GLU A 39 1.368 -18.256 -7.049 1.00 0.00 C ATOM 315 C GLU A 39 -0.128 -17.937 -7.101 1.00 0.00 C ATOM 316 O GLU A 39 -0.958 -18.789 -6.790 1.00 0.00 O ATOM 317 CB GLU A 39 1.637 -19.698 -7.481 1.00 0.00 C ATOM 318 CG GLU A 39 2.253 -19.746 -8.881 1.00 0.00 C ATOM 319 CD GLU A 39 3.186 -20.949 -9.028 1.00 0.00 C ATOM 320 OE1 GLU A 39 4.244 -20.931 -8.362 1.00 0.00 O ATOM 321 OE2 GLU A 39 2.822 -21.859 -9.804 1.00 0.00 O ATOM 0 H GLU A 39 2.725 -17.418 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 39 1.884 -17.600 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.309 -20.176 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.706 -20.264 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.462 -19.801 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.807 -18.826 -9.070 1.00 0.00 H new ATOM 322 N ILE A 40 -0.425 -16.708 -7.496 1.00 0.00 N ATOM 323 CA ILE A 40 -1.806 -16.266 -7.592 1.00 0.00 C ATOM 324 C ILE A 40 -2.340 -16.577 -8.991 1.00 0.00 C ATOM 325 O ILE A 40 -2.127 -17.671 -9.512 1.00 0.00 O ATOM 326 CB ILE A 40 -1.926 -14.792 -7.201 1.00 0.00 C ATOM 327 CG1 ILE A 40 -3.389 -14.400 -6.981 1.00 0.00 C ATOM 328 CG2 ILE A 40 -1.242 -13.894 -8.234 1.00 0.00 C ATOM 329 CD1 ILE A 40 -3.709 -14.294 -5.489 1.00 0.00 C ATOM 0 H ILE A 40 0.267 -16.004 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.430 -16.811 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.408 -14.647 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.591 -13.446 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.041 -15.140 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.342 -12.851 -7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.185 -14.154 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.711 -14.037 -9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.755 -14.014 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.529 -15.256 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.072 -13.536 -5.033 1.00 0.00 H new ATOM 330 N ASP A 41 -3.025 -15.596 -9.560 1.00 0.00 N ATOM 331 CA ASP A 41 -3.591 -15.751 -10.889 1.00 0.00 C ATOM 332 C ASP A 41 -4.249 -14.437 -11.315 1.00 0.00 C ATOM 333 O ASP A 41 -4.376 -14.160 -12.507 1.00 0.00 O ATOM 334 CB ASP A 41 -4.662 -16.843 -10.907 1.00 0.00 C ATOM 335 CG ASP A 41 -4.187 -18.207 -11.411 1.00 0.00 C ATOM 336 OD1 ASP A 41 -3.002 -18.287 -11.799 1.00 0.00 O ATOM 337 OD2 ASP A 41 -5.019 -19.139 -11.394 1.00 0.00 O ATOM 0 H ASP A 41 -3.201 -14.690 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.785 -16.025 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.055 -16.962 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.489 -16.509 -11.533 1.00 0.00 H new ATOM 338 N HIS A 42 -4.649 -13.661 -10.318 1.00 0.00 N ATOM 339 CA HIS A 42 -5.290 -12.383 -10.574 1.00 0.00 C ATOM 340 C HIS A 42 -4.526 -11.272 -9.853 1.00 0.00 C ATOM 341 O HIS A 42 -4.148 -11.426 -8.692 1.00 0.00 O ATOM 342 CB HIS A 42 -6.770 -12.431 -10.191 1.00 0.00 C ATOM 343 CG HIS A 42 -7.492 -13.665 -10.680 1.00 0.00 C ATOM 344 ND1 HIS A 42 -8.641 -13.605 -11.451 1.00 0.00 N ATOM 345 CD2 HIS A 42 -7.216 -14.988 -10.502 1.00 0.00 C ATOM 346 CE1 HIS A 42 -9.030 -14.843 -11.717 1.00 0.00 C ATOM 347 NE2 HIS A 42 -8.146 -15.699 -11.128 1.00 0.00 N ATOM 0 H HIS A 42 -4.541 -13.893 -9.331 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.258 -12.164 -11.641 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.856 -12.379 -9.106 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.267 -11.548 -10.593 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.382 -15.390 -9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.895 -15.125 -12.298 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.192 -16.717 -11.163 1.00 0.00 H new ATOM 348 N PHE A 43 -4.322 -10.176 -10.568 1.00 0.00 N ATOM 349 CA PHE A 43 -3.610 -9.039 -10.010 1.00 0.00 C ATOM 350 C PHE A 43 -4.311 -8.515 -8.755 1.00 0.00 C ATOM 351 O PHE A 43 -5.391 -8.987 -8.400 1.00 0.00 O ATOM 352 CB PHE A 43 -3.612 -7.943 -11.077 1.00 0.00 C ATOM 353 CG PHE A 43 -4.993 -7.650 -11.666 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.425 -8.334 -12.759 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.790 -6.706 -11.096 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.707 -8.062 -13.307 1.00 0.00 C ATOM 357 CE2 PHE A 43 -7.071 -6.434 -11.643 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.503 -7.118 -12.737 1.00 0.00 C ATOM 0 H PHE A 43 -4.638 -10.051 -11.530 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.598 -9.334 -9.731 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.212 -7.027 -10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.939 -8.234 -11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.793 -9.084 -13.211 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.448 -6.164 -10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.049 -8.605 -14.176 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.703 -5.684 -11.191 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.478 -6.911 -13.153 1.00 0.00 H new ATOM 359 N ARG A 44 -3.670 -7.546 -8.118 1.00 0.00 N ATOM 360 CA ARG A 44 -4.219 -6.953 -6.911 1.00 0.00 C ATOM 361 C ARG A 44 -4.174 -5.426 -7.002 1.00 0.00 C ATOM 362 O ARG A 44 -3.460 -4.872 -7.835 1.00 0.00 O ATOM 363 CB ARG A 44 -3.444 -7.407 -5.673 1.00 0.00 C ATOM 364 CG ARG A 44 -4.170 -8.548 -4.958 1.00 0.00 C ATOM 365 CD ARG A 44 -3.546 -9.900 -5.308 1.00 0.00 C ATOM 366 NE ARG A 44 -2.740 -10.395 -4.170 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.239 -10.661 -2.956 1.00 0.00 C ATOM 0 H ARG A 44 -2.775 -7.157 -8.415 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.253 -7.284 -6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.445 -7.733 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.319 -6.567 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.127 -8.392 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.223 -8.546 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.328 -10.619 -5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.918 -9.802 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.742 -10.543 -4.320 1.00 0.00 H new ATOM 368 N LEU A 45 -4.946 -4.792 -6.133 1.00 0.00 N ATOM 369 CA LEU A 45 -5.003 -3.340 -6.104 1.00 0.00 C ATOM 370 C LEU A 45 -5.368 -2.876 -4.693 1.00 0.00 C ATOM 371 O LEU A 45 -6.541 -2.861 -4.324 1.00 0.00 O ATOM 372 CB LEU A 45 -5.951 -2.819 -7.187 1.00 0.00 C ATOM 373 CG LEU A 45 -5.309 -1.979 -8.292 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.155 -2.010 -9.567 1.00 0.00 C ATOM 375 CD2 LEU A 45 -5.049 -0.549 -7.813 1.00 0.00 C ATOM 0 H LEU A 45 -5.537 -5.256 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.026 -2.916 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.447 -3.673 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.726 -2.221 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.342 -2.419 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.676 -1.405 -10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.246 -3.038 -9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.146 -1.610 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.592 0.027 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.992 -0.085 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.377 -0.569 -6.955 1.00 0.00 H new ATOM 376 N GLY A 46 -4.341 -2.507 -3.942 1.00 0.00 N ATOM 377 CA GLY A 46 -4.538 -2.043 -2.579 1.00 0.00 C ATOM 378 C GLY A 46 -4.701 -0.522 -2.536 1.00 0.00 C ATOM 379 O GLY A 46 -5.710 -0.016 -2.045 1.00 0.00 O ATOM 0 H GLY A 46 -3.369 -2.520 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.421 -2.519 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.688 -2.339 -1.964 1.00 0.00 H new ATOM 380 N ILE A 47 -3.694 0.164 -3.054 1.00 0.00 N ATOM 381 CA ILE A 47 -3.713 1.617 -3.080 1.00 0.00 C ATOM 382 C ILE A 47 -3.449 2.152 -1.672 1.00 0.00 C ATOM 383 O ILE A 47 -4.280 1.994 -0.778 1.00 0.00 O ATOM 384 CB ILE A 47 -5.017 2.124 -3.697 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.316 1.409 -5.015 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.990 3.646 -3.863 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.608 0.595 -4.917 1.00 0.00 C ATOM 0 H ILE A 47 -2.859 -0.259 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.916 1.997 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.832 1.889 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.403 2.141 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.486 0.751 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.929 3.981 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.859 4.116 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.163 3.926 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.797 0.097 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.509 -0.152 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.440 1.260 -4.684 1.00 0.00 H new ATOM 388 N SER A 48 -2.288 2.772 -1.516 1.00 0.00 N ATOM 389 CA SER A 48 -1.905 3.331 -0.231 1.00 0.00 C ATOM 390 C SER A 48 -1.194 4.671 -0.435 1.00 0.00 C ATOM 391 O SER A 48 -0.912 5.063 -1.566 1.00 0.00 O ATOM 392 CB SER A 48 -1.006 2.366 0.543 1.00 0.00 C ATOM 393 OG SER A 48 -1.758 1.362 1.220 1.00 0.00 O ATOM 0 H SER A 48 -1.600 2.899 -2.259 1.00 0.00 H new ATOM 0 HA SER A 48 -2.809 3.492 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.306 1.892 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.413 2.925 1.267 1.00 0.00 H new ATOM 0 HG SER A 48 -1.404 0.478 0.990 1.00 0.00 H new ATOM 394 N VAL A 49 -0.924 5.337 0.680 1.00 0.00 N ATOM 395 CA VAL A 49 -0.251 6.623 0.637 1.00 0.00 C ATOM 396 C VAL A 49 0.932 6.607 1.605 1.00 0.00 C ATOM 397 O VAL A 49 1.458 5.544 1.930 1.00 0.00 O ATOM 398 CB VAL A 49 -1.250 7.745 0.932 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.982 8.964 0.046 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.690 7.254 0.770 1.00 0.00 C ATOM 0 H VAL A 49 -1.159 5.009 1.617 1.00 0.00 H new ATOM 0 HA VAL A 49 0.147 6.813 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.116 8.049 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.705 9.747 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.026 9.335 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.075 8.680 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.379 8.071 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.844 6.909 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.874 6.432 1.462 1.00 0.00 H new ATOM 401 N SER A 50 1.318 7.799 2.040 1.00 0.00 N ATOM 402 CA SER A 50 2.430 7.934 2.965 1.00 0.00 C ATOM 403 C SER A 50 1.906 8.160 4.384 1.00 0.00 C ATOM 404 O SER A 50 0.707 8.348 4.585 1.00 0.00 O ATOM 405 CB SER A 50 3.353 9.083 2.552 1.00 0.00 C ATOM 406 OG SER A 50 4.550 9.109 3.323 1.00 0.00 O ATOM 0 H SER A 50 0.880 8.679 1.768 1.00 0.00 H new ATOM 0 HA SER A 50 3.009 7.011 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.604 8.985 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.827 10.030 2.668 1.00 0.00 H new ATOM 0 HG SER A 50 5.196 8.476 2.945 1.00 0.00 H new ATOM 407 N LYS A 51 2.830 8.133 5.334 1.00 0.00 N ATOM 408 CA LYS A 51 2.476 8.333 6.729 1.00 0.00 C ATOM 409 C LYS A 51 2.371 9.833 7.015 1.00 0.00 C ATOM 410 O LYS A 51 2.022 10.234 8.125 1.00 0.00 O ATOM 411 CB LYS A 51 3.460 7.600 7.642 1.00 0.00 C ATOM 412 CG LYS A 51 2.954 6.196 7.978 1.00 0.00 C ATOM 413 CD LYS A 51 3.307 5.817 9.418 1.00 0.00 C ATOM 414 CE LYS A 51 2.119 5.153 10.118 1.00 0.00 C ATOM 415 NZ LYS A 51 2.548 3.914 10.804 1.00 0.00 N ATOM 0 H LYS A 51 3.823 7.976 5.165 1.00 0.00 H new ATOM 0 HA LYS A 51 1.498 7.899 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.433 7.533 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.602 8.169 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.874 6.152 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.392 5.473 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.160 5.139 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.607 6.708 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.683 5.843 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.343 4.922 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.730 3.476 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.943 3.251 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.273 4.143 11.514 1.00 0.00 H new ATOM 416 N LYS A 52 2.680 10.620 5.994 1.00 0.00 N ATOM 417 CA LYS A 52 2.625 12.066 6.123 1.00 0.00 C ATOM 418 C LYS A 52 1.482 12.607 5.261 1.00 0.00 C ATOM 419 O LYS A 52 1.016 13.725 5.473 1.00 0.00 O ATOM 420 CB LYS A 52 3.986 12.685 5.798 1.00 0.00 C ATOM 421 CG LYS A 52 4.588 13.365 7.029 1.00 0.00 C ATOM 422 CD LYS A 52 4.409 14.883 6.960 1.00 0.00 C ATOM 423 CE LYS A 52 3.581 15.392 8.141 1.00 0.00 C ATOM 424 NZ LYS A 52 2.243 15.834 7.684 1.00 0.00 N ATOM 0 H LYS A 52 2.969 10.284 5.075 1.00 0.00 H new ATOM 0 HA LYS A 52 2.410 12.349 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.664 11.912 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.876 13.413 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.112 12.980 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.648 13.123 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.385 15.368 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.919 15.153 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.475 14.603 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.098 16.220 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.598 15.885 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.319 16.773 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.871 15.155 6.990 1.00 0.00 H new ATOM 425 N LEU A 53 1.064 11.789 4.308 1.00 0.00 N ATOM 426 CA LEU A 53 -0.015 12.171 3.413 1.00 0.00 C ATOM 427 C LEU A 53 -1.356 11.969 4.123 1.00 0.00 C ATOM 428 O LEU A 53 -1.759 12.793 4.941 1.00 0.00 O ATOM 429 CB LEU A 53 0.097 11.419 2.086 1.00 0.00 C ATOM 430 CG LEU A 53 1.038 12.031 1.046 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.793 10.943 0.281 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.279 12.971 0.106 1.00 0.00 C ATOM 0 H LEU A 53 1.453 10.862 4.135 1.00 0.00 H new ATOM 0 HA LEU A 53 0.057 13.229 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.430 10.402 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.898 11.345 1.648 1.00 0.00 H new ATOM 0 HG LEU A 53 1.782 12.631 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.454 11.406 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.383 10.350 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.080 10.297 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.971 13.393 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.501 12.414 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.174 13.776 0.684 1.00 0.00 H new ATOM 433 N GLY A 54 -2.009 10.867 3.783 1.00 0.00 N ATOM 434 CA GLY A 54 -3.295 10.546 4.378 1.00 0.00 C ATOM 435 C GLY A 54 -4.180 11.790 4.474 1.00 0.00 C ATOM 436 O GLY A 54 -4.207 12.459 5.506 1.00 0.00 O ATOM 0 H GLY A 54 -1.671 10.186 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.796 9.784 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.145 10.124 5.372 1.00 0.00 H new ATOM 437 N ASN A 55 -4.884 12.063 3.385 1.00 0.00 N ATOM 438 CA ASN A 55 -5.768 13.215 3.334 1.00 0.00 C ATOM 439 C ASN A 55 -6.845 12.979 2.273 1.00 0.00 C ATOM 440 O ASN A 55 -7.036 11.853 1.817 1.00 0.00 O ATOM 441 CB ASN A 55 -5.000 14.482 2.955 1.00 0.00 C ATOM 442 CG ASN A 55 -5.153 15.558 4.031 1.00 0.00 C ATOM 443 OD1 ASN A 55 -4.990 15.316 5.216 1.00 0.00 O ATOM 444 ND2 ASN A 55 -5.474 16.759 3.555 1.00 0.00 N ATOM 0 H ASN A 55 -4.860 11.506 2.531 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.211 13.344 4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.945 14.245 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.366 14.862 2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.598 17.544 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.596 16.894 2.551 1.00 0.00 H new ATOM 445 N ALA A 56 -7.519 14.061 1.910 1.00 0.00 N ATOM 446 CA ALA A 56 -8.571 13.986 0.911 1.00 0.00 C ATOM 447 C ALA A 56 -8.173 14.823 -0.307 1.00 0.00 C ATOM 448 O ALA A 56 -8.702 14.627 -1.400 1.00 0.00 O ATOM 449 CB ALA A 56 -9.894 14.445 1.527 1.00 0.00 C ATOM 0 H ALA A 56 -7.357 14.994 2.290 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.708 12.958 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.683 14.389 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.146 13.800 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.796 15.474 1.874 1.00 0.00 H new ATOM 450 N VAL A 57 -7.244 15.739 -0.077 1.00 0.00 N ATOM 451 CA VAL A 57 -6.768 16.607 -1.140 1.00 0.00 C ATOM 452 C VAL A 57 -5.647 15.901 -1.906 1.00 0.00 C ATOM 453 O VAL A 57 -5.492 16.101 -3.110 1.00 0.00 O ATOM 454 CB VAL A 57 -6.340 17.957 -0.562 1.00 0.00 C ATOM 455 CG1 VAL A 57 -4.888 17.913 -0.082 1.00 0.00 C ATOM 456 CG2 VAL A 57 -6.546 19.080 -1.581 1.00 0.00 C ATOM 0 H VAL A 57 -6.808 15.899 0.831 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.568 16.813 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.972 18.167 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.609 18.885 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.784 17.153 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.235 17.669 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.234 20.029 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.951 18.877 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.600 19.135 -1.854 1.00 0.00 H new ATOM 457 N LEU A 58 -4.895 15.091 -1.176 1.00 0.00 N ATOM 458 CA LEU A 58 -3.793 14.355 -1.772 1.00 0.00 C ATOM 459 C LEU A 58 -4.311 13.023 -2.317 1.00 0.00 C ATOM 460 O LEU A 58 -3.950 12.618 -3.422 1.00 0.00 O ATOM 461 CB LEU A 58 -2.646 14.204 -0.769 1.00 0.00 C ATOM 462 CG LEU A 58 -3.051 14.095 0.702 1.00 0.00 C ATOM 463 CD1 LEU A 58 -3.701 12.742 0.992 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.858 14.366 1.621 1.00 0.00 C ATOM 0 H LEU A 58 -5.027 14.928 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.379 14.906 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.073 13.316 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.979 15.059 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.797 14.862 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.980 12.690 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.592 12.627 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.996 11.943 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.173 14.282 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.072 13.638 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.478 15.371 1.437 1.00 0.00 H new ATOM 465 N ARG A 59 -5.148 12.378 -1.518 1.00 0.00 N ATOM 466 CA ARG A 59 -5.719 11.100 -1.908 1.00 0.00 C ATOM 467 C ARG A 59 -6.651 11.278 -3.108 1.00 0.00 C ATOM 468 O ARG A 59 -7.142 10.300 -3.668 1.00 0.00 O ATOM 469 CB ARG A 59 -6.501 10.471 -0.753 1.00 0.00 C ATOM 470 CG ARG A 59 -5.554 9.845 0.274 1.00 0.00 C ATOM 471 CD ARG A 59 -6.334 9.257 1.452 1.00 0.00 C ATOM 472 NE ARG A 59 -6.475 7.793 1.284 1.00 0.00 N ATOM 473 CZ ARG A 59 -5.671 6.890 1.861 1.00 0.00 C ATOM 0 H ARG A 59 -5.444 12.716 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.896 10.438 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.117 11.230 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.178 9.710 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.962 9.063 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.855 10.599 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.818 9.476 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.318 9.721 1.515 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.232 7.450 0.692 1.00 0.00 H new ATOM 474 N ASN A 60 -6.867 12.536 -3.466 1.00 0.00 N ATOM 475 CA ASN A 60 -7.732 12.855 -4.590 1.00 0.00 C ATOM 476 C ASN A 60 -6.881 13.034 -5.848 1.00 0.00 C ATOM 477 O ASN A 60 -7.394 12.969 -6.964 1.00 0.00 O ATOM 478 CB ASN A 60 -8.493 14.159 -4.345 1.00 0.00 C ATOM 479 CG ASN A 60 -9.992 13.897 -4.184 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.604 13.157 -4.937 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.547 14.543 -3.162 1.00 0.00 N ATOM 0 H ASN A 60 -6.459 13.345 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.444 12.038 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.107 14.647 -3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.327 14.843 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.543 14.434 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.977 15.147 -2.570 1.00 0.00 H new ATOM 482 N LYS A 61 -5.593 13.255 -5.627 1.00 0.00 N ATOM 483 CA LYS A 61 -4.665 13.443 -6.729 1.00 0.00 C ATOM 484 C LYS A 61 -3.654 12.295 -6.741 1.00 0.00 C ATOM 485 O LYS A 61 -2.915 12.124 -7.709 1.00 0.00 O ATOM 486 CB LYS A 61 -4.021 14.829 -6.656 1.00 0.00 C ATOM 487 CG LYS A 61 -4.020 15.506 -8.029 1.00 0.00 C ATOM 488 CD LYS A 61 -5.003 16.677 -8.063 1.00 0.00 C ATOM 489 CE LYS A 61 -5.672 16.791 -9.434 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.885 17.634 -9.350 1.00 0.00 N ATOM 0 H LYS A 61 -5.170 13.308 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.194 13.412 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.563 15.449 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.998 14.740 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.017 15.862 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.287 14.780 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.763 16.541 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.478 17.604 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.973 17.220 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.936 15.799 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.327 17.701 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.558 17.209 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.624 18.586 -9.021 1.00 0.00 H new ATOM 491 N ILE A 62 -3.654 11.536 -5.655 1.00 0.00 N ATOM 492 CA ILE A 62 -2.747 10.410 -5.528 1.00 0.00 C ATOM 493 C ILE A 62 -3.539 9.106 -5.648 1.00 0.00 C ATOM 494 O ILE A 62 -3.020 8.102 -6.133 1.00 0.00 O ATOM 495 CB ILE A 62 -1.934 10.519 -4.236 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.839 11.580 -4.366 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.367 9.158 -3.828 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.215 11.892 -3.004 1.00 0.00 C ATOM 0 H ILE A 62 -4.269 11.680 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.017 10.416 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.603 10.841 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.068 11.230 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.258 12.490 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.794 9.264 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.185 8.456 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.717 8.783 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.560 12.649 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.985 12.265 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.224 10.985 -2.589 1.00 0.00 H new ATOM 499 N LYS A 63 -4.784 9.164 -5.197 1.00 0.00 N ATOM 500 CA LYS A 63 -5.652 8.000 -5.248 1.00 0.00 C ATOM 501 C LYS A 63 -6.545 8.089 -6.487 1.00 0.00 C ATOM 502 O LYS A 63 -7.300 7.164 -6.780 1.00 0.00 O ATOM 503 CB LYS A 63 -6.430 7.855 -3.938 1.00 0.00 C ATOM 504 CG LYS A 63 -6.395 6.410 -3.437 1.00 0.00 C ATOM 505 CD LYS A 63 -6.879 6.320 -1.987 1.00 0.00 C ATOM 506 CE LYS A 63 -8.373 5.997 -1.928 1.00 0.00 C ATOM 507 NZ LYS A 63 -8.605 4.561 -2.204 1.00 0.00 N ATOM 0 H LYS A 63 -5.212 9.998 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.062 7.088 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.004 8.516 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.464 8.167 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.022 5.786 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.380 6.021 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.316 5.551 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.687 7.263 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.768 6.253 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.911 6.605 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.556 4.434 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.894 4.218 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.529 4.021 -1.319 1.00 0.00 H new ATOM 508 N ARG A 64 -6.430 9.213 -7.179 1.00 0.00 N ATOM 509 CA ARG A 64 -7.218 9.434 -8.381 1.00 0.00 C ATOM 510 C ARG A 64 -6.500 8.852 -9.601 1.00 0.00 C ATOM 511 O ARG A 64 -7.093 8.101 -10.374 1.00 0.00 O ATOM 512 CB ARG A 64 -7.467 10.927 -8.608 1.00 0.00 C ATOM 513 CG ARG A 64 -7.762 11.215 -10.081 1.00 0.00 C ATOM 514 CD ARG A 64 -8.721 12.398 -10.225 1.00 0.00 C ATOM 515 NE ARG A 64 -9.373 12.362 -11.555 1.00 0.00 N ATOM 516 CZ ARG A 64 -10.358 11.515 -11.885 1.00 0.00 C ATOM 0 H ARG A 64 -5.804 9.980 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.177 8.933 -8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.305 11.257 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.594 11.498 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.832 11.430 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.196 10.331 -10.549 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.476 12.363 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.177 13.335 -10.102 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.053 13.022 -12.263 1.00 0.00 H new ATOM 517 N ALA A 65 -5.236 9.222 -9.735 1.00 0.00 N ATOM 518 CA ALA A 65 -4.431 8.746 -10.849 1.00 0.00 C ATOM 519 C ALA A 65 -4.149 7.254 -10.667 1.00 0.00 C ATOM 520 O ALA A 65 -3.759 6.572 -11.614 1.00 0.00 O ATOM 521 CB ALA A 65 -3.149 9.576 -10.944 1.00 0.00 C ATOM 0 H ALA A 65 -4.748 9.846 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.967 8.867 -11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.546 9.219 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.405 10.624 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.582 9.477 -10.018 1.00 0.00 H new ATOM 522 N ILE A 66 -4.356 6.790 -9.443 1.00 0.00 N ATOM 523 CA ILE A 66 -4.129 5.391 -9.125 1.00 0.00 C ATOM 524 C ILE A 66 -5.321 4.563 -9.607 1.00 0.00 C ATOM 525 O ILE A 66 -5.167 3.395 -9.963 1.00 0.00 O ATOM 526 CB ILE A 66 -3.825 5.223 -7.635 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.319 5.098 -7.393 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.600 4.042 -7.047 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.960 5.484 -5.957 1.00 0.00 C ATOM 0 H ILE A 66 -4.678 7.359 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.249 5.019 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.161 6.120 -7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.999 4.074 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.781 5.739 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.366 3.945 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.670 4.212 -7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.317 3.126 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.884 5.386 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.259 6.516 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.481 4.825 -5.262 1.00 0.00 H new ATOM 530 N ARG A 67 -6.483 5.198 -9.602 1.00 0.00 N ATOM 531 CA ARG A 67 -7.702 4.534 -10.034 1.00 0.00 C ATOM 532 C ARG A 67 -8.137 5.063 -11.402 1.00 0.00 C ATOM 533 O ARG A 67 -9.248 4.785 -11.854 1.00 0.00 O ATOM 534 CB ARG A 67 -8.832 4.750 -9.027 1.00 0.00 C ATOM 535 CG ARG A 67 -9.455 3.416 -8.608 1.00 0.00 C ATOM 536 CD ARG A 67 -10.518 3.622 -7.527 1.00 0.00 C ATOM 537 NE ARG A 67 -11.830 3.135 -8.007 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.842 2.783 -7.202 1.00 0.00 C ATOM 0 H ARG A 67 -6.607 6.166 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.493 3.467 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.447 5.268 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.597 5.391 -9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.903 2.931 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.678 2.749 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.233 3.090 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.586 4.679 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.973 3.063 -9.014 1.00 0.00 H new ATOM 539 N GLU A 68 -7.242 5.816 -12.023 1.00 0.00 N ATOM 540 CA GLU A 68 -7.521 6.387 -13.330 1.00 0.00 C ATOM 541 C GLU A 68 -6.566 5.808 -14.375 1.00 0.00 C ATOM 542 O GLU A 68 -6.645 6.156 -15.553 1.00 0.00 O ATOM 543 CB GLU A 68 -7.432 7.914 -13.292 1.00 0.00 C ATOM 544 CG GLU A 68 -8.796 8.535 -12.982 1.00 0.00 C ATOM 545 CD GLU A 68 -9.620 8.711 -14.258 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.225 9.571 -15.075 1.00 0.00 O ATOM 547 OE2 GLU A 68 -10.627 7.982 -14.389 1.00 0.00 O ATOM 0 H GLU A 68 -6.322 6.044 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.541 6.123 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.708 8.221 -12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.069 8.285 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.337 7.901 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.658 9.502 -12.498 1.00 0.00 H new ATOM 548 N ASN A 69 -5.685 4.935 -13.908 1.00 0.00 N ATOM 549 CA ASN A 69 -4.716 4.306 -14.788 1.00 0.00 C ATOM 550 C ASN A 69 -4.935 2.791 -14.780 1.00 0.00 C ATOM 551 O ASN A 69 -5.238 2.199 -15.815 1.00 0.00 O ATOM 552 CB ASN A 69 -3.286 4.579 -14.319 1.00 0.00 C ATOM 553 CG ASN A 69 -2.523 5.420 -15.345 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.724 6.617 -15.477 1.00 0.00 O ATOM 555 ND2 ASN A 69 -1.640 4.731 -16.061 1.00 0.00 N ATOM 0 H ASN A 69 -5.623 4.649 -12.931 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.852 4.718 -15.788 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.307 5.098 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.766 3.635 -14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.081 5.202 -16.772 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.522 3.731 -15.899 1.00 0.00 H new ATOM 556 N PHE A 70 -4.772 2.208 -13.602 1.00 0.00 N ATOM 557 CA PHE A 70 -4.948 0.775 -13.445 1.00 0.00 C ATOM 558 C PHE A 70 -6.277 0.316 -14.052 1.00 0.00 C ATOM 559 O PHE A 70 -6.464 -0.870 -14.321 1.00 0.00 O ATOM 560 CB PHE A 70 -4.961 0.487 -11.942 1.00 0.00 C ATOM 561 CG PHE A 70 -3.952 -0.577 -11.505 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.976 -1.813 -12.073 1.00 0.00 C ATOM 563 CD2 PHE A 70 -3.031 -0.287 -10.546 1.00 0.00 C ATOM 564 CE1 PHE A 70 -3.040 -2.800 -11.667 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.094 -1.274 -10.140 1.00 0.00 C ATOM 566 CZ PHE A 70 -2.120 -2.510 -10.709 1.00 0.00 C ATOM 0 H PHE A 70 -4.520 2.703 -12.746 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.144 0.244 -13.954 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.755 1.412 -11.403 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.961 0.165 -11.652 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.708 -2.043 -12.833 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.013 0.694 -10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.059 -3.781 -12.119 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.362 -1.044 -9.380 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.409 -3.261 -10.399 1.00 0.00 H new ATOM 567 N LYS A 71 -7.164 1.279 -14.248 1.00 0.00 N ATOM 568 CA LYS A 71 -8.470 0.989 -14.817 1.00 0.00 C ATOM 569 C LYS A 71 -8.292 0.418 -16.224 1.00 0.00 C ATOM 570 O LYS A 71 -8.917 -0.582 -16.576 1.00 0.00 O ATOM 571 CB LYS A 71 -9.365 2.229 -14.765 1.00 0.00 C ATOM 572 CG LYS A 71 -9.872 2.479 -13.344 1.00 0.00 C ATOM 573 CD LYS A 71 -10.849 1.385 -12.909 1.00 0.00 C ATOM 574 CE LYS A 71 -12.276 1.928 -12.818 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.838 1.685 -11.470 1.00 0.00 N ATOM 0 H LYS A 71 -7.005 2.261 -14.023 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.983 0.230 -14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.809 3.099 -15.115 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.211 2.100 -15.440 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.029 2.513 -12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.364 3.451 -13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.815 0.559 -13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.546 0.986 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.279 2.997 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.902 1.450 -13.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.801 2.075 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.869 0.662 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.240 2.147 -10.756 1.00 0.00 H new ATOM 576 N VAL A 72 -7.435 1.076 -16.992 1.00 0.00 N ATOM 577 CA VAL A 72 -7.168 0.646 -18.354 1.00 0.00 C ATOM 578 C VAL A 72 -6.147 -0.494 -18.332 1.00 0.00 C ATOM 579 O VAL A 72 -6.304 -1.485 -19.044 1.00 0.00 O ATOM 580 CB VAL A 72 -6.715 1.837 -19.199 1.00 0.00 C ATOM 581 CG1 VAL A 72 -7.598 3.061 -18.940 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.242 2.162 -18.947 1.00 0.00 C ATOM 0 H VAL A 72 -6.917 1.903 -16.697 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.076 0.262 -18.819 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.822 1.561 -20.248 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.254 3.894 -19.553 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.631 2.825 -19.195 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.538 3.337 -17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.947 3.013 -19.561 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.098 2.407 -17.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.629 1.298 -19.206 1.00 0.00 H new ATOM 583 N HIS A 73 -5.124 -0.314 -17.510 1.00 0.00 N ATOM 584 CA HIS A 73 -4.079 -1.315 -17.386 1.00 0.00 C ATOM 585 C HIS A 73 -4.616 -2.529 -16.626 1.00 0.00 C ATOM 586 O HIS A 73 -3.917 -3.529 -16.473 1.00 0.00 O ATOM 587 CB HIS A 73 -2.828 -0.717 -16.739 1.00 0.00 C ATOM 588 CG HIS A 73 -2.238 0.445 -17.502 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.194 0.300 -18.399 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.555 1.771 -17.492 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.905 1.492 -18.900 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.749 2.402 -18.337 1.00 0.00 N ATOM 0 H HIS A 73 -4.997 0.511 -16.923 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.779 -1.655 -18.377 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.075 -0.388 -15.730 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.073 -1.497 -16.644 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.331 2.230 -16.897 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.135 1.705 -19.627 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.760 3.403 -18.533 1.00 0.00 H new ATOM 593 N LYS A 74 -5.855 -2.402 -16.171 1.00 0.00 N ATOM 594 CA LYS A 74 -6.494 -3.476 -15.431 1.00 0.00 C ATOM 595 C LYS A 74 -6.305 -4.792 -16.187 1.00 0.00 C ATOM 596 O LYS A 74 -6.298 -5.864 -15.582 1.00 0.00 O ATOM 597 CB LYS A 74 -7.958 -3.134 -15.149 1.00 0.00 C ATOM 598 CG LYS A 74 -8.767 -4.396 -14.842 1.00 0.00 C ATOM 599 CD LYS A 74 -10.082 -4.048 -14.142 1.00 0.00 C ATOM 600 CE LYS A 74 -11.272 -4.687 -14.861 1.00 0.00 C ATOM 601 NZ LYS A 74 -12.037 -3.662 -15.606 1.00 0.00 N ATOM 0 H LYS A 74 -6.432 -1.571 -16.301 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.025 -3.598 -14.455 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.018 -2.445 -14.306 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.388 -2.623 -16.010 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.975 -4.933 -15.767 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.181 -5.064 -14.211 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.050 -4.392 -13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.208 -2.966 -14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.919 -5.457 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.921 -5.179 -14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.841 -4.112 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.389 -2.942 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.419 -3.211 -16.310 1.00 0.00 H new ATOM 602 N SER A 75 -6.156 -4.670 -17.497 1.00 0.00 N ATOM 603 CA SER A 75 -5.967 -5.838 -18.341 1.00 0.00 C ATOM 604 C SER A 75 -4.492 -5.972 -18.726 1.00 0.00 C ATOM 605 O SER A 75 -4.054 -7.037 -19.159 1.00 0.00 O ATOM 606 CB SER A 75 -6.838 -5.757 -19.596 1.00 0.00 C ATOM 607 OG SER A 75 -7.087 -7.043 -20.157 1.00 0.00 O ATOM 0 H SER A 75 -6.162 -3.780 -17.995 1.00 0.00 H new ATOM 0 HA SER A 75 -6.270 -6.720 -17.777 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.786 -5.279 -19.349 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.347 -5.127 -20.338 1.00 0.00 H new ATOM 0 HG SER A 75 -7.648 -6.949 -20.955 1.00 0.00 H new ATOM 608 N HIS A 76 -3.766 -4.877 -18.554 1.00 0.00 N ATOM 609 CA HIS A 76 -2.350 -4.859 -18.878 1.00 0.00 C ATOM 610 C HIS A 76 -1.547 -5.415 -17.701 1.00 0.00 C ATOM 611 O HIS A 76 -0.371 -5.747 -17.848 1.00 0.00 O ATOM 612 CB HIS A 76 -1.904 -3.454 -19.289 1.00 0.00 C ATOM 613 CG HIS A 76 -2.810 -2.793 -20.301 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.330 -2.045 -21.362 1.00 0.00 N ATOM 615 CD2 HIS A 76 -4.171 -2.776 -20.401 1.00 0.00 C ATOM 616 CE1 HIS A 76 -3.364 -1.603 -22.062 1.00 0.00 C ATOM 617 NE2 HIS A 76 -4.503 -2.055 -21.465 1.00 0.00 N ATOM 0 H HIS A 76 -4.132 -3.996 -18.194 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.162 -5.503 -19.737 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.851 -2.826 -18.400 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -0.896 -3.510 -19.701 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.860 -3.266 -19.729 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.313 -0.991 -22.951 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.454 -1.870 -21.783 1.00 0.00 H new ATOM 618 N ILE A 77 -2.214 -5.500 -16.560 1.00 0.00 N ATOM 619 CA ILE A 77 -1.577 -6.010 -15.357 1.00 0.00 C ATOM 620 C ILE A 77 -1.920 -7.491 -15.194 1.00 0.00 C ATOM 621 O ILE A 77 -3.015 -7.923 -15.549 1.00 0.00 O ATOM 622 CB ILE A 77 -1.954 -5.154 -14.146 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.008 -3.960 -14.002 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.008 -6.000 -12.873 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.030 -3.088 -15.259 1.00 0.00 C ATOM 0 H ILE A 77 -3.189 -5.224 -16.442 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.492 -5.940 -15.441 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.954 -4.753 -14.309 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.298 -3.364 -13.137 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.006 -4.315 -13.819 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.278 -5.368 -12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.753 -6.787 -12.990 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.031 -6.449 -12.693 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.349 -2.247 -15.130 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.716 -3.680 -16.118 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.041 -2.715 -15.425 1.00 0.00 H new ATOM 626 N LEU A 78 -0.962 -8.232 -14.654 1.00 0.00 N ATOM 627 CA LEU A 78 -1.148 -9.657 -14.440 1.00 0.00 C ATOM 628 C LEU A 78 -1.117 -9.950 -12.939 1.00 0.00 C ATOM 629 O LEU A 78 -0.830 -9.064 -12.136 1.00 0.00 O ATOM 630 CB LEU A 78 -0.125 -10.459 -15.245 1.00 0.00 C ATOM 631 CG LEU A 78 1.116 -9.692 -15.707 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.741 -8.591 -16.701 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.897 -9.142 -14.512 1.00 0.00 C ATOM 0 H LEU A 78 -0.055 -7.871 -14.359 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.124 -9.973 -14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.200 -11.306 -14.641 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.624 -10.867 -16.124 1.00 0.00 H new ATOM 0 HG LEU A 78 1.773 -10.388 -16.229 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.641 -8.061 -17.014 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.261 -9.036 -17.572 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.054 -7.891 -16.226 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.774 -8.601 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.261 -8.465 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.214 -9.967 -13.874 1.00 0.00 H new ATOM 634 N ALA A 79 -1.414 -11.197 -12.605 1.00 0.00 N ATOM 635 CA ALA A 79 -1.422 -11.619 -11.215 1.00 0.00 C ATOM 636 C ALA A 79 -0.084 -11.256 -10.568 1.00 0.00 C ATOM 637 O ALA A 79 0.972 -11.674 -11.041 1.00 0.00 O ATOM 638 CB ALA A 79 -1.721 -13.118 -11.137 1.00 0.00 C ATOM 0 H ALA A 79 -1.651 -11.930 -13.274 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.206 -11.102 -10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.727 -13.434 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.696 -13.318 -11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.954 -13.671 -11.679 1.00 0.00 H new ATOM 639 N LYS A 80 -0.171 -10.483 -9.496 1.00 0.00 N ATOM 640 CA LYS A 80 1.020 -10.058 -8.780 1.00 0.00 C ATOM 641 C LYS A 80 0.634 -9.011 -7.734 1.00 0.00 C ATOM 642 O LYS A 80 0.302 -7.879 -8.077 1.00 0.00 O ATOM 643 CB LYS A 80 2.093 -9.582 -9.761 1.00 0.00 C ATOM 644 CG LYS A 80 3.374 -10.406 -9.613 1.00 0.00 C ATOM 645 CD LYS A 80 3.568 -11.337 -10.812 1.00 0.00 C ATOM 646 CE LYS A 80 5.048 -11.445 -11.188 1.00 0.00 C ATOM 647 NZ LYS A 80 5.213 -12.267 -12.408 1.00 0.00 N ATOM 0 H LYS A 80 -1.048 -10.140 -9.105 1.00 0.00 H new ATOM 0 HA LYS A 80 1.462 -10.897 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.720 -9.663 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.311 -8.529 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.231 -9.739 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.329 -10.993 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.176 -12.326 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.999 -10.963 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.461 -10.450 -11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.607 -11.889 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.222 -12.331 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.837 -13.221 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.695 -11.827 -13.196 1.00 0.00 H new ATOM 648 N ASP A 81 0.692 -9.428 -6.477 1.00 0.00 N ATOM 649 CA ASP A 81 0.353 -8.541 -5.378 1.00 0.00 C ATOM 650 C ASP A 81 0.908 -7.144 -5.666 1.00 0.00 C ATOM 651 O ASP A 81 2.113 -6.917 -5.558 1.00 0.00 O ATOM 652 CB ASP A 81 0.965 -9.032 -4.064 1.00 0.00 C ATOM 653 CG ASP A 81 0.038 -8.954 -2.850 1.00 0.00 C ATOM 654 OD1 ASP A 81 -0.664 -7.926 -2.736 1.00 0.00 O ATOM 655 OD2 ASP A 81 0.052 -9.925 -2.063 1.00 0.00 O ATOM 0 H ASP A 81 0.969 -10.369 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.733 -8.521 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.283 -10.066 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.861 -8.446 -3.857 1.00 0.00 H new ATOM 656 N ILE A 82 0.004 -6.245 -6.028 1.00 0.00 N ATOM 657 CA ILE A 82 0.389 -4.878 -6.332 1.00 0.00 C ATOM 658 C ILE A 82 0.002 -3.971 -5.162 1.00 0.00 C ATOM 659 O ILE A 82 -1.023 -4.188 -4.516 1.00 0.00 O ATOM 660 CB ILE A 82 -0.204 -4.440 -7.673 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.882 -3.888 -8.599 1.00 0.00 C ATOM 662 CG2 ILE A 82 -1.345 -3.441 -7.467 1.00 0.00 C ATOM 663 CD1 ILE A 82 1.740 -2.846 -7.877 1.00 0.00 C ATOM 0 H ILE A 82 -0.994 -6.437 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 82 1.470 -4.804 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.628 -5.317 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.514 -4.703 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.421 -3.439 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.749 -3.146 -8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.132 -3.905 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.968 -2.560 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.504 -2.470 -8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.109 -2.021 -7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.219 -3.305 -7.012 1.00 0.00 H new ATOM 664 N ILE A 83 0.840 -2.973 -4.925 1.00 0.00 N ATOM 665 CA ILE A 83 0.597 -2.032 -3.845 1.00 0.00 C ATOM 666 C ILE A 83 1.068 -0.640 -4.272 1.00 0.00 C ATOM 667 O ILE A 83 2.179 -0.228 -3.941 1.00 0.00 O ATOM 668 CB ILE A 83 1.240 -2.528 -2.549 1.00 0.00 C ATOM 669 CG1 ILE A 83 1.306 -4.056 -2.518 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.517 -1.960 -1.326 1.00 0.00 C ATOM 671 CD1 ILE A 83 -0.061 -4.657 -2.182 1.00 0.00 C ATOM 0 H ILE A 83 1.688 -2.795 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.470 -1.958 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 83 2.266 -2.162 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.643 -4.429 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.040 -4.377 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.994 -2.328 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.567 -0.871 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.526 -2.275 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.013 -5.744 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.384 -4.301 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.787 -4.354 -2.936 1.00 0.00 H new ATOM 672 N VAL A 84 0.199 0.047 -4.999 1.00 0.00 N ATOM 673 CA VAL A 84 0.512 1.384 -5.475 1.00 0.00 C ATOM 674 C VAL A 84 0.445 2.365 -4.303 1.00 0.00 C ATOM 675 O VAL A 84 -0.634 2.821 -3.931 1.00 0.00 O ATOM 676 CB VAL A 84 -0.423 1.761 -6.625 1.00 0.00 C ATOM 677 CG1 VAL A 84 -0.374 0.713 -7.739 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.855 1.964 -6.124 1.00 0.00 C ATOM 0 H VAL A 84 -0.722 -0.297 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 84 1.526 1.422 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.077 2.707 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.048 1.006 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.643 0.640 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.682 -0.254 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.499 2.231 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.215 1.041 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.872 2.764 -5.384 1.00 0.00 H new ATOM 679 N ILE A 85 1.614 2.660 -3.753 1.00 0.00 N ATOM 680 CA ILE A 85 1.703 3.579 -2.631 1.00 0.00 C ATOM 681 C ILE A 85 2.193 4.940 -3.129 1.00 0.00 C ATOM 682 O ILE A 85 2.796 5.034 -4.198 1.00 0.00 O ATOM 683 CB ILE A 85 2.566 2.984 -1.517 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.421 1.462 -1.466 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.250 3.637 -0.170 1.00 0.00 C ATOM 686 CD1 ILE A 85 3.769 0.774 -1.689 1.00 0.00 C ATOM 0 H ILE A 85 2.508 2.279 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 85 0.719 3.737 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 85 3.611 3.200 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.012 1.164 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.712 1.135 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.877 3.196 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.446 4.708 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.201 3.474 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.637 -0.307 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.163 1.054 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.469 1.084 -0.913 1.00 0.00 H new ATOM 687 N ALA A 86 1.918 5.962 -2.331 1.00 0.00 N ATOM 688 CA ALA A 86 2.325 7.313 -2.677 1.00 0.00 C ATOM 689 C ALA A 86 3.492 7.735 -1.783 1.00 0.00 C ATOM 690 O ALA A 86 3.349 7.807 -0.563 1.00 0.00 O ATOM 691 CB ALA A 86 1.125 8.254 -2.554 1.00 0.00 C ATOM 0 H ALA A 86 1.418 5.881 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 86 2.670 7.358 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.430 9.268 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.336 7.928 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.753 8.238 -1.529 1.00 0.00 H new ATOM 692 N ARG A 87 4.620 8.002 -2.424 1.00 0.00 N ATOM 693 CA ARG A 87 5.811 8.414 -1.702 1.00 0.00 C ATOM 694 C ARG A 87 5.478 9.553 -0.735 1.00 0.00 C ATOM 695 O ARG A 87 4.309 9.875 -0.529 1.00 0.00 O ATOM 696 CB ARG A 87 6.907 8.877 -2.664 1.00 0.00 C ATOM 697 CG ARG A 87 8.101 7.920 -2.636 1.00 0.00 C ATOM 698 CD ARG A 87 9.350 8.618 -2.095 1.00 0.00 C ATOM 699 NE ARG A 87 10.139 9.183 -3.212 1.00 0.00 N ATOM 700 CZ ARG A 87 10.966 8.467 -3.986 1.00 0.00 C ATOM 0 H ARG A 87 4.734 7.941 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 87 6.174 7.551 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.507 8.935 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.234 9.881 -2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.865 7.056 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.296 7.546 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.063 9.411 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.957 7.909 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 87 10.048 10.180 -3.405 1.00 0.00 H new ATOM 701 N GLN A 88 6.526 10.132 -0.168 1.00 0.00 N ATOM 702 CA GLN A 88 6.360 11.227 0.772 1.00 0.00 C ATOM 703 C GLN A 88 6.186 12.549 0.020 1.00 0.00 C ATOM 704 O GLN A 88 5.189 13.246 0.208 1.00 0.00 O ATOM 705 CB GLN A 88 7.540 11.300 1.743 1.00 0.00 C ATOM 706 CG GLN A 88 7.089 11.008 3.176 1.00 0.00 C ATOM 707 CD GLN A 88 7.548 9.618 3.622 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.566 8.667 2.857 1.00 0.00 O ATOM 709 NE2 GLN A 88 7.916 9.554 4.898 1.00 0.00 N ATOM 0 H GLN A 88 7.494 9.863 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 88 5.460 11.043 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.305 10.583 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.994 12.290 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.495 11.763 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.003 11.074 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.876 10.389 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.238 8.670 5.292 1.00 0.00 H new ATOM 710 N PRO A 89 7.194 12.861 -0.836 1.00 0.00 N ATOM 711 CA PRO A 89 7.162 14.087 -1.615 1.00 0.00 C ATOM 712 C PRO A 89 6.168 13.973 -2.773 1.00 0.00 C ATOM 713 O PRO A 89 6.137 14.830 -3.655 1.00 0.00 O ATOM 714 CB PRO A 89 8.593 14.295 -2.080 1.00 0.00 C ATOM 715 CG PRO A 89 9.279 12.946 -1.938 1.00 0.00 C ATOM 716 CD PRO A 89 8.389 12.059 -1.083 1.00 0.00 C ATOM 0 HA PRO A 89 6.817 14.944 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.621 14.640 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.093 15.053 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.440 12.495 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.259 13.063 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.143 11.130 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.882 11.785 -0.150 1.00 0.00 H new ATOM 717 N ALA A 90 5.379 12.909 -2.733 1.00 0.00 N ATOM 718 CA ALA A 90 4.388 12.673 -3.767 1.00 0.00 C ATOM 719 C ALA A 90 3.105 13.432 -3.421 1.00 0.00 C ATOM 720 O ALA A 90 2.033 13.113 -3.933 1.00 0.00 O ATOM 721 CB ALA A 90 4.153 11.168 -3.916 1.00 0.00 C ATOM 0 H ALA A 90 5.407 12.201 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 90 4.742 13.044 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.409 10.991 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.088 10.679 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.795 10.760 -2.971 1.00 0.00 H new ATOM 722 N LYS A 91 3.257 14.422 -2.554 1.00 0.00 N ATOM 723 CA LYS A 91 2.124 15.228 -2.133 1.00 0.00 C ATOM 724 C LYS A 91 1.977 16.425 -3.075 1.00 0.00 C ATOM 725 O LYS A 91 0.863 16.821 -3.413 1.00 0.00 O ATOM 726 CB LYS A 91 2.263 15.620 -0.660 1.00 0.00 C ATOM 727 CG LYS A 91 1.122 16.542 -0.228 1.00 0.00 C ATOM 728 CD LYS A 91 1.511 17.357 1.007 1.00 0.00 C ATOM 729 CE LYS A 91 1.192 16.591 2.292 1.00 0.00 C ATOM 730 NZ LYS A 91 1.967 17.139 3.428 1.00 0.00 N ATOM 0 H LYS A 91 4.148 14.684 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 91 1.201 14.652 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.265 14.723 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.219 16.120 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.865 17.215 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.233 15.949 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.575 17.590 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.976 18.307 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.125 16.657 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.426 15.535 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.739 16.608 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.984 17.054 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.724 18.141 3.563 1.00 0.00 H new ATOM 731 N ASP A 92 3.119 16.966 -3.474 1.00 0.00 N ATOM 732 CA ASP A 92 3.132 18.110 -4.371 1.00 0.00 C ATOM 733 C ASP A 92 3.214 17.617 -5.817 1.00 0.00 C ATOM 734 O ASP A 92 3.695 18.332 -6.694 1.00 0.00 O ATOM 735 CB ASP A 92 4.345 19.004 -4.107 1.00 0.00 C ATOM 736 CG ASP A 92 4.014 20.454 -3.754 1.00 0.00 C ATOM 737 OD1 ASP A 92 3.019 20.648 -3.023 1.00 0.00 O ATOM 738 OD2 ASP A 92 4.765 21.338 -4.222 1.00 0.00 O ATOM 0 H ASP A 92 4.041 16.634 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 92 2.220 18.682 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.926 18.571 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.982 18.997 -4.992 1.00 0.00 H new ATOM 739 N MET A 93 2.736 16.398 -6.021 1.00 0.00 N ATOM 740 CA MET A 93 2.748 15.801 -7.346 1.00 0.00 C ATOM 741 C MET A 93 1.375 15.916 -8.012 1.00 0.00 C ATOM 742 O MET A 93 0.354 15.977 -7.331 1.00 0.00 O ATOM 743 CB MET A 93 3.142 14.327 -7.238 1.00 0.00 C ATOM 744 CG MET A 93 3.114 13.650 -8.610 1.00 0.00 C ATOM 745 SD MET A 93 3.170 11.876 -8.416 1.00 0.00 S ATOM 746 CE MET A 93 2.052 11.680 -7.038 1.00 0.00 C ATOM 0 H MET A 93 2.338 15.807 -5.291 1.00 0.00 H new ATOM 0 HA MET A 93 3.474 16.336 -7.959 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.140 14.244 -6.808 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.460 13.813 -6.561 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.211 13.937 -9.148 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.961 13.986 -9.208 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.747 10.636 -6.962 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.553 11.979 -6.117 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.172 12.305 -7.192 1.00 0.00 H new ATOM 747 N THR A 94 1.397 15.942 -9.336 1.00 0.00 N ATOM 748 CA THR A 94 0.167 16.048 -10.102 1.00 0.00 C ATOM 749 C THR A 94 -0.113 14.740 -10.846 1.00 0.00 C ATOM 750 O THR A 94 0.814 14.055 -11.276 1.00 0.00 O ATOM 751 CB THR A 94 0.290 17.259 -11.030 1.00 0.00 C ATOM 752 OG1 THR A 94 1.610 17.159 -11.557 1.00 0.00 O ATOM 753 CG2 THR A 94 0.294 18.584 -10.264 1.00 0.00 C ATOM 0 H THR A 94 2.247 15.892 -9.898 1.00 0.00 H new ATOM 0 HA THR A 94 -0.692 16.205 -9.450 1.00 0.00 H new ATOM 0 HB THR A 94 -0.533 17.255 -11.745 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.775 17.905 -12.171 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.383 19.411 -10.968 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.636 18.683 -9.704 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.137 18.603 -9.574 1.00 0.00 H new ATOM 754 N THR A 95 -1.396 14.432 -10.973 1.00 0.00 N ATOM 755 CA THR A 95 -1.810 13.218 -11.656 1.00 0.00 C ATOM 756 C THR A 95 -1.061 13.071 -12.983 1.00 0.00 C ATOM 757 O THR A 95 -0.935 11.966 -13.509 1.00 0.00 O ATOM 758 CB THR A 95 -3.330 13.262 -11.819 1.00 0.00 C ATOM 759 OG1 THR A 95 -3.826 12.746 -10.586 1.00 0.00 O ATOM 760 CG2 THR A 95 -3.836 12.270 -12.869 1.00 0.00 C ATOM 0 H THR A 95 -2.162 15.002 -10.614 1.00 0.00 H new ATOM 0 HA THR A 95 -1.556 12.331 -11.075 1.00 0.00 H new ATOM 0 HB THR A 95 -3.636 14.271 -12.096 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.806 12.740 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.921 12.342 -12.945 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.388 12.503 -13.835 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.560 11.257 -12.576 1.00 0.00 H new ATOM 761 N LEU A 96 -0.583 14.200 -13.484 1.00 0.00 N ATOM 762 CA LEU A 96 0.150 14.211 -14.739 1.00 0.00 C ATOM 763 C LEU A 96 1.457 13.434 -14.567 1.00 0.00 C ATOM 764 O LEU A 96 1.876 12.711 -15.471 1.00 0.00 O ATOM 765 CB LEU A 96 0.349 15.646 -15.231 1.00 0.00 C ATOM 766 CG LEU A 96 0.849 15.799 -16.669 1.00 0.00 C ATOM 767 CD1 LEU A 96 2.377 15.843 -16.715 1.00 0.00 C ATOM 768 CD2 LEU A 96 0.278 14.699 -17.567 1.00 0.00 C ATOM 0 H LEU A 96 -0.689 15.114 -13.044 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.422 13.708 -15.519 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.599 16.175 -15.139 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.057 16.142 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 96 0.488 16.751 -17.058 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.707 15.952 -17.748 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.734 16.689 -16.129 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.780 14.919 -16.301 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.649 14.830 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.589 13.724 -17.191 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.810 14.758 -17.567 1.00 0.00 H new ATOM 769 N GLN A 97 2.064 13.608 -13.402 1.00 0.00 N ATOM 770 CA GLN A 97 3.314 12.932 -13.102 1.00 0.00 C ATOM 771 C GLN A 97 3.049 11.475 -12.714 1.00 0.00 C ATOM 772 O GLN A 97 3.883 10.604 -12.955 1.00 0.00 O ATOM 773 CB GLN A 97 4.080 13.662 -11.998 1.00 0.00 C ATOM 774 CG GLN A 97 3.979 15.179 -12.172 1.00 0.00 C ATOM 775 CD GLN A 97 4.929 15.905 -11.217 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.731 15.304 -10.522 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.794 17.228 -11.223 1.00 0.00 N ATOM 0 H GLN A 97 1.713 14.207 -12.655 1.00 0.00 H new ATOM 0 HA GLN A 97 3.935 12.942 -13.998 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.682 13.377 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.127 13.359 -12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.217 15.447 -13.201 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.955 15.502 -11.987 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.102 17.667 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.383 17.803 -10.621 1.00 0.00 H new ATOM 778 N ILE A 98 1.885 11.257 -12.118 1.00 0.00 N ATOM 779 CA ILE A 98 1.501 9.921 -11.695 1.00 0.00 C ATOM 780 C ILE A 98 1.376 9.017 -12.923 1.00 0.00 C ATOM 781 O ILE A 98 2.036 7.983 -13.005 1.00 0.00 O ATOM 782 CB ILE A 98 0.233 9.975 -10.840 1.00 0.00 C ATOM 783 CG1 ILE A 98 0.467 10.788 -9.564 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.283 8.567 -10.534 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.842 10.997 -8.799 1.00 0.00 C ATOM 0 H ILE A 98 1.196 11.983 -11.918 1.00 0.00 H new ATOM 0 HA ILE A 98 2.271 9.487 -11.057 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.542 10.486 -11.411 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.186 10.273 -8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.902 11.755 -9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.185 8.634 -9.925 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.513 8.053 -11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.480 8.010 -9.991 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.648 11.577 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.551 11.534 -9.430 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.261 10.029 -8.524 1.00 0.00 H new ATOM 786 N GLN A 99 0.525 9.441 -13.846 1.00 0.00 N ATOM 787 CA GLN A 99 0.305 8.682 -15.065 1.00 0.00 C ATOM 788 C GLN A 99 1.628 8.471 -15.804 1.00 0.00 C ATOM 789 O GLN A 99 1.766 7.525 -16.579 1.00 0.00 O ATOM 790 CB GLN A 99 -0.721 9.375 -15.964 1.00 0.00 C ATOM 791 CG GLN A 99 -0.271 10.795 -16.316 1.00 0.00 C ATOM 792 CD GLN A 99 -1.469 11.673 -16.683 1.00 0.00 C ATOM 793 OE1 GLN A 99 -1.618 12.128 -17.805 1.00 0.00 O ATOM 794 NE2 GLN A 99 -2.312 11.887 -15.676 1.00 0.00 N ATOM 0 H GLN A 99 -0.020 10.300 -13.774 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.098 7.706 -14.795 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.859 8.796 -16.877 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.687 9.410 -15.460 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.260 11.232 -15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.430 10.762 -17.150 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.128 11.476 -14.761 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.142 12.462 -15.819 1.00 0.00 H new ATOM 795 N ASN A 100 2.567 9.367 -15.539 1.00 0.00 N ATOM 796 CA ASN A 100 3.874 9.291 -16.170 1.00 0.00 C ATOM 797 C ASN A 100 4.809 8.453 -15.296 1.00 0.00 C ATOM 798 O ASN A 100 5.865 8.017 -15.751 1.00 0.00 O ATOM 799 CB ASN A 100 4.492 10.682 -16.325 1.00 0.00 C ATOM 800 CG ASN A 100 3.960 11.382 -17.577 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.917 10.824 -18.661 1.00 0.00 O ATOM 802 ND2 ASN A 100 3.556 12.632 -17.368 1.00 0.00 N ATOM 0 H ASN A 100 2.449 10.150 -14.896 1.00 0.00 H new ATOM 0 HA ASN A 100 3.748 8.841 -17.155 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.267 11.284 -15.444 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.577 10.597 -16.385 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.183 13.183 -18.141 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.619 13.039 -16.435 1.00 0.00 H new ATOM 803 N SER A 101 4.386 8.253 -14.056 1.00 0.00 N ATOM 804 CA SER A 101 5.173 7.474 -13.114 1.00 0.00 C ATOM 805 C SER A 101 4.731 6.010 -13.148 1.00 0.00 C ATOM 806 O SER A 101 5.565 5.109 -13.226 1.00 0.00 O ATOM 807 CB SER A 101 5.046 8.034 -11.695 1.00 0.00 C ATOM 808 OG SER A 101 6.291 8.516 -11.198 1.00 0.00 O ATOM 0 H SER A 101 3.509 8.616 -13.682 1.00 0.00 H new ATOM 0 HA SER A 101 6.221 7.538 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.315 8.843 -11.689 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.667 7.257 -11.031 1.00 0.00 H new ATOM 0 HG SER A 101 6.168 8.866 -10.291 1.00 0.00 H new ATOM 809 N LEU A 102 3.423 5.818 -13.088 1.00 0.00 N ATOM 810 CA LEU A 102 2.861 4.478 -13.110 1.00 0.00 C ATOM 811 C LEU A 102 3.413 3.719 -14.319 1.00 0.00 C ATOM 812 O LEU A 102 3.608 2.506 -14.258 1.00 0.00 O ATOM 813 CB LEU A 102 1.332 4.537 -13.068 1.00 0.00 C ATOM 814 CG LEU A 102 0.684 4.152 -11.738 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.443 5.122 -11.375 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.202 2.700 -11.762 1.00 0.00 C ATOM 0 H LEU A 102 2.735 6.568 -13.024 1.00 0.00 H new ATOM 0 HA LEU A 102 3.161 3.925 -12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.020 5.550 -13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.941 3.879 -13.844 1.00 0.00 H new ATOM 0 HG LEU A 102 1.440 4.228 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.887 4.825 -10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.040 6.131 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.206 5.102 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.255 2.452 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.532 2.573 -12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.049 2.038 -11.942 1.00 0.00 H new ATOM 817 N GLU A 103 3.650 4.464 -15.388 1.00 0.00 N ATOM 818 CA GLU A 103 4.176 3.877 -16.609 1.00 0.00 C ATOM 819 C GLU A 103 5.642 3.485 -16.420 1.00 0.00 C ATOM 820 O GLU A 103 6.270 2.953 -17.335 1.00 0.00 O ATOM 821 CB GLU A 103 4.012 4.832 -17.793 1.00 0.00 C ATOM 822 CG GLU A 103 2.887 4.368 -18.721 1.00 0.00 C ATOM 823 CD GLU A 103 3.446 3.890 -20.062 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.276 2.956 -20.031 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.030 4.470 -21.088 1.00 0.00 O ATOM 0 H GLU A 103 3.487 5.470 -15.434 1.00 0.00 H new ATOM 0 HA GLU A 103 3.604 2.976 -16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.796 5.836 -17.428 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.947 4.890 -18.350 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.329 3.561 -18.247 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.186 5.186 -18.886 1.00 0.00 H new ATOM 826 N HIS A 104 6.147 3.762 -15.226 1.00 0.00 N ATOM 827 CA HIS A 104 7.528 3.445 -14.905 1.00 0.00 C ATOM 828 C HIS A 104 7.582 2.643 -13.603 1.00 0.00 C ATOM 829 O HIS A 104 7.852 1.443 -13.619 1.00 0.00 O ATOM 830 CB HIS A 104 8.380 4.715 -14.855 1.00 0.00 C ATOM 831 CG HIS A 104 9.616 4.592 -13.998 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.417 5.674 -13.677 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.179 3.505 -13.397 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.415 5.246 -12.919 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.266 3.901 -12.746 1.00 0.00 N ATOM 0 H HIS A 104 5.624 4.203 -14.469 1.00 0.00 H new ATOM 0 HA HIS A 104 7.954 2.823 -15.692 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.679 4.980 -15.869 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.769 5.535 -14.478 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.264 6.638 -13.974 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.804 2.493 -13.443 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.208 5.855 -12.510 1.00 0.00 H new ATOM 836 N VAL A 105 7.318 3.339 -12.506 1.00 0.00 N ATOM 837 CA VAL A 105 7.333 2.707 -11.198 1.00 0.00 C ATOM 838 C VAL A 105 6.605 1.364 -11.277 1.00 0.00 C ATOM 839 O VAL A 105 7.129 0.343 -10.834 1.00 0.00 O ATOM 840 CB VAL A 105 6.733 3.652 -10.154 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.205 3.596 -10.177 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.273 3.338 -8.758 1.00 0.00 C ATOM 0 H VAL A 105 7.093 4.334 -12.497 1.00 0.00 H new ATOM 0 HA VAL A 105 8.357 2.504 -10.883 1.00 0.00 H new ATOM 0 HB VAL A 105 7.034 4.668 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.805 4.277 -9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.845 3.891 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.875 2.580 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.831 4.023 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 105 7.016 2.313 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.357 3.454 -8.753 1.00 0.00 H new ATOM 843 N LEU A 106 5.409 1.408 -11.844 1.00 0.00 N ATOM 844 CA LEU A 106 4.603 0.207 -11.987 1.00 0.00 C ATOM 845 C LEU A 106 5.240 -0.707 -13.036 1.00 0.00 C ATOM 846 O LEU A 106 5.260 -1.926 -12.872 1.00 0.00 O ATOM 847 CB LEU A 106 3.147 0.571 -12.289 1.00 0.00 C ATOM 848 CG LEU A 106 2.561 -0.022 -13.571 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.931 -1.390 -13.305 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.572 0.949 -14.221 1.00 0.00 C ATOM 0 H LEU A 106 4.978 2.257 -12.210 1.00 0.00 H new ATOM 0 HA LEU A 106 4.579 -0.350 -11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.531 0.250 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.069 1.657 -12.345 1.00 0.00 H new ATOM 0 HG LEU A 106 3.375 -0.176 -14.280 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.522 -1.789 -14.233 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.690 -2.071 -12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.132 -1.286 -12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.170 0.504 -15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.757 1.157 -13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.084 1.879 -14.468 1.00 0.00 H new ATOM 851 N LYS A 107 5.743 -0.082 -14.091 1.00 0.00 N ATOM 852 CA LYS A 107 6.378 -0.825 -15.167 1.00 0.00 C ATOM 853 C LYS A 107 7.454 -1.741 -14.582 1.00 0.00 C ATOM 854 O LYS A 107 7.600 -2.884 -15.011 1.00 0.00 O ATOM 855 CB LYS A 107 6.901 0.131 -16.241 1.00 0.00 C ATOM 856 CG LYS A 107 7.542 -0.640 -17.396 1.00 0.00 C ATOM 857 CD LYS A 107 8.972 -0.157 -17.651 1.00 0.00 C ATOM 858 CE LYS A 107 9.742 -1.156 -18.516 1.00 0.00 C ATOM 859 NZ LYS A 107 10.829 -0.474 -19.254 1.00 0.00 N ATOM 0 H LYS A 107 5.724 0.929 -14.224 1.00 0.00 H new ATOM 0 HA LYS A 107 5.652 -1.465 -15.669 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.082 0.743 -16.618 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.632 0.811 -15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.550 -1.706 -17.167 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.945 -0.513 -18.299 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.949 0.815 -18.144 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.488 -0.020 -16.701 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.159 -1.943 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.062 -1.636 -19.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.341 -1.167 -19.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.424 0.261 -19.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.487 -0.037 -18.577 1.00 0.00 H new ATOM 860 N ILE A 108 8.180 -1.205 -13.613 1.00 0.00 N ATOM 861 CA ILE A 108 9.239 -1.961 -12.965 1.00 0.00 C ATOM 862 C ILE A 108 8.618 -3.001 -12.030 1.00 0.00 C ATOM 863 O ILE A 108 9.130 -4.112 -11.906 1.00 0.00 O ATOM 864 CB ILE A 108 10.222 -1.018 -12.268 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.697 0.080 -13.222 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.390 -1.795 -11.660 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.533 1.127 -12.481 1.00 0.00 C ATOM 0 H ILE A 108 8.056 -0.256 -13.260 1.00 0.00 H new ATOM 0 HA ILE A 108 9.825 -2.505 -13.705 1.00 0.00 H new ATOM 0 HB ILE A 108 9.701 -0.527 -11.446 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.288 -0.361 -14.024 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.836 0.560 -13.687 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.073 -1.101 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.011 -2.508 -10.928 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.920 -2.331 -12.448 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.858 1.896 -13.182 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.931 1.583 -11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.406 0.648 -12.037 1.00 0.00 H new ATOM 868 N ALA A 109 7.524 -2.604 -11.397 1.00 0.00 N ATOM 869 CA ALA A 109 6.828 -3.488 -10.478 1.00 0.00 C ATOM 870 C ALA A 109 6.844 -4.912 -11.037 1.00 0.00 C ATOM 871 O ALA A 109 6.852 -5.881 -10.279 1.00 0.00 O ATOM 872 CB ALA A 109 5.409 -2.968 -10.245 1.00 0.00 C ATOM 0 H ALA A 109 7.102 -1.681 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 109 7.330 -3.508 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.887 -3.631 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.454 -1.965 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.873 -2.936 -11.194 1.00 0.00 H new ATOM 873 N LYS A 110 6.847 -4.994 -12.359 1.00 0.00 N ATOM 874 CA LYS A 110 6.860 -6.284 -13.029 1.00 0.00 C ATOM 875 C LYS A 110 5.422 -6.769 -13.223 1.00 0.00 C ATOM 876 O LYS A 110 5.193 -7.939 -13.522 1.00 0.00 O ATOM 877 CB LYS A 110 7.745 -7.274 -12.268 1.00 0.00 C ATOM 878 CG LYS A 110 8.192 -8.421 -13.176 1.00 0.00 C ATOM 879 CD LYS A 110 9.460 -9.086 -12.637 1.00 0.00 C ATOM 880 CE LYS A 110 10.624 -8.920 -13.616 1.00 0.00 C ATOM 881 NZ LYS A 110 11.892 -8.706 -12.882 1.00 0.00 N ATOM 0 H LYS A 110 6.841 -4.188 -12.985 1.00 0.00 H new ATOM 0 HA LYS A 110 7.302 -6.193 -14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.619 -6.756 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.198 -7.674 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.395 -9.160 -13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.375 -8.043 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.724 -8.648 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.274 -10.146 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.706 -9.806 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.433 -8.075 -14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.672 -8.595 -13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.815 -7.848 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.081 -9.525 -12.269 1.00 0.00 H new ATOM 882 N VAL A 111 4.491 -5.843 -13.045 1.00 0.00 N ATOM 883 CA VAL A 111 3.081 -6.161 -13.197 1.00 0.00 C ATOM 884 C VAL A 111 2.645 -5.854 -14.631 1.00 0.00 C ATOM 885 O VAL A 111 1.485 -5.526 -14.873 1.00 0.00 O ATOM 886 CB VAL A 111 2.259 -5.410 -12.148 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.684 -5.804 -10.731 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.365 -3.896 -12.350 1.00 0.00 C ATOM 0 H VAL A 111 4.685 -4.873 -12.797 1.00 0.00 H new ATOM 0 HA VAL A 111 2.908 -7.224 -13.025 1.00 0.00 H new ATOM 0 HB VAL A 111 1.214 -5.694 -12.275 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.084 -5.255 -10.005 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.534 -6.874 -10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.737 -5.563 -10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.772 -3.385 -11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.407 -3.589 -12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.992 -3.634 -13.340 1.00 0.00 H new ATOM 889 N PHE A 112 3.599 -5.972 -15.544 1.00 0.00 N ATOM 890 CA PHE A 112 3.327 -5.712 -16.947 1.00 0.00 C ATOM 891 C PHE A 112 3.711 -6.913 -17.812 1.00 0.00 C ATOM 892 O PHE A 112 4.885 -7.271 -17.896 1.00 0.00 O ATOM 893 CB PHE A 112 4.184 -4.511 -17.352 1.00 0.00 C ATOM 894 CG PHE A 112 3.401 -3.204 -17.484 1.00 0.00 C ATOM 895 CD1 PHE A 112 2.660 -2.746 -16.439 1.00 0.00 C ATOM 896 CD2 PHE A 112 3.443 -2.499 -18.647 1.00 0.00 C ATOM 897 CE1 PHE A 112 1.933 -1.532 -16.562 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.717 -1.286 -18.769 1.00 0.00 C ATOM 899 CZ PHE A 112 1.976 -0.828 -17.724 1.00 0.00 C ATOM 0 H PHE A 112 4.560 -6.244 -15.339 1.00 0.00 H new ATOM 0 HA PHE A 112 2.264 -5.521 -17.091 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.974 -4.376 -16.613 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.670 -4.729 -18.303 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.625 -3.306 -15.516 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.029 -2.863 -19.478 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.346 -1.168 -15.732 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.753 -0.726 -19.692 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.422 0.094 -17.818 1.00 0.00 H new ATOM 900 N ASN A 113 2.701 -7.503 -18.433 1.00 0.00 N ATOM 901 CA ASN A 113 2.919 -8.657 -19.288 1.00 0.00 C ATOM 902 C ASN A 113 4.262 -8.509 -20.005 1.00 0.00 C ATOM 903 O ASN A 113 5.171 -9.313 -19.800 1.00 0.00 O ATOM 904 CB ASN A 113 1.825 -8.767 -20.353 1.00 0.00 C ATOM 905 CG ASN A 113 1.333 -7.383 -20.780 1.00 0.00 C ATOM 906 OD1 ASN A 113 2.008 -6.643 -21.476 1.00 0.00 O ATOM 907 ND2 ASN A 113 0.121 -7.076 -20.323 1.00 0.00 N ATOM 0 H ASN A 113 1.729 -7.203 -18.361 1.00 0.00 H new ATOM 0 HA ASN A 113 2.905 -9.549 -18.661 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.210 -9.303 -21.220 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.990 -9.349 -19.963 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.297 -6.174 -20.551 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.390 -7.743 -19.744 1.00 0.00 H new ATOM 908 N LYS A 114 4.347 -7.477 -20.830 1.00 0.00 N ATOM 909 CA LYS A 114 5.564 -7.213 -21.578 1.00 0.00 C ATOM 910 C LYS A 114 5.695 -5.707 -21.816 1.00 0.00 C ATOM 911 O LYS A 114 6.560 -5.055 -21.234 1.00 0.00 O ATOM 912 CB LYS A 114 5.595 -8.044 -22.862 1.00 0.00 C ATOM 913 CG LYS A 114 4.181 -8.445 -23.289 1.00 0.00 C ATOM 914 CD LYS A 114 4.211 -9.264 -24.581 1.00 0.00 C ATOM 915 CE LYS A 114 3.154 -8.768 -25.570 1.00 0.00 C ATOM 916 NZ LYS A 114 3.797 -8.243 -26.796 1.00 0.00 N ATOM 0 H LYS A 114 3.592 -6.812 -20.997 1.00 0.00 H new ATOM 0 HA LYS A 114 6.438 -7.522 -21.005 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.071 -7.472 -23.658 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.199 -8.938 -22.707 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.709 -9.026 -22.497 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.574 -7.552 -23.434 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.199 -9.197 -25.036 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.036 -10.315 -24.353 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.478 -9.583 -25.827 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.551 -7.988 -25.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.066 -7.911 -27.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.424 -7.452 -26.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.353 -8.997 -27.247 1.00 0.00 H new ATOM 917 N LYS A 115 4.823 -5.198 -22.674 1.00 0.00 N ATOM 918 CA LYS A 115 4.831 -3.782 -22.997 1.00 0.00 C ATOM 919 C LYS A 115 3.764 -3.498 -24.057 1.00 0.00 C ATOM 920 O LYS A 115 4.086 -3.274 -25.222 1.00 0.00 O ATOM 921 CB LYS A 115 6.236 -3.331 -23.404 1.00 0.00 C ATOM 922 CG LYS A 115 6.813 -2.348 -22.384 1.00 0.00 C ATOM 923 CD LYS A 115 8.277 -2.033 -22.694 1.00 0.00 C ATOM 924 CE LYS A 115 9.177 -3.227 -22.370 1.00 0.00 C ATOM 925 NZ LYS A 115 10.602 -2.867 -22.545 1.00 0.00 N ATOM 0 H LYS A 115 4.106 -5.741 -23.155 1.00 0.00 H new ATOM 0 HA LYS A 115 4.574 -3.191 -22.118 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.890 -4.199 -23.488 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.201 -2.862 -24.387 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.230 -1.427 -22.391 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.732 -2.769 -21.382 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.381 -1.770 -23.747 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.596 -1.166 -22.116 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.002 -3.554 -21.345 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.926 -4.066 -23.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.198 -3.689 -22.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.768 -2.577 -23.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.842 -2.081 -21.908 1.00 0.00 H new ATOM 926 N ILE A 116 2.516 -3.518 -23.613 1.00 0.00 N ATOM 927 CA ILE A 116 1.400 -3.266 -24.509 1.00 0.00 C ATOM 928 C ILE A 116 1.647 -1.962 -25.271 1.00 0.00 C ATOM 929 O ILE A 116 2.348 -1.078 -24.782 1.00 0.00 O ATOM 930 CB ILE A 116 0.078 -3.288 -23.738 1.00 0.00 C ATOM 931 CG1 ILE A 116 -0.546 -4.684 -23.758 1.00 0.00 C ATOM 932 CG2 ILE A 116 -0.883 -2.223 -24.268 1.00 0.00 C ATOM 933 CD1 ILE A 116 -2.056 -4.613 -23.523 1.00 0.00 C ATOM 0 H ILE A 116 2.253 -3.705 -22.645 1.00 0.00 H new ATOM 0 HA ILE A 116 1.322 -4.059 -25.252 1.00 0.00 H new ATOM 0 HB ILE A 116 0.286 -3.044 -22.696 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.346 -5.162 -24.717 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.084 -5.304 -22.990 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.814 -2.260 -23.703 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.431 -1.237 -24.158 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.090 -2.411 -25.321 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -2.475 -5.619 -23.542 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -2.252 -4.157 -22.553 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -2.518 -4.013 -24.306 1.00 0.00 H new ATOM 934 N LYS A 117 1.056 -1.885 -26.454 1.00 0.00 N ATOM 935 CA LYS A 117 1.203 -0.704 -27.287 1.00 0.00 C ATOM 936 C LYS A 117 -0.177 -0.100 -27.556 1.00 0.00 C ATOM 937 O LYS A 117 -0.733 -0.270 -28.641 1.00 0.00 O ATOM 938 CB LYS A 117 1.986 -1.039 -28.558 1.00 0.00 C ATOM 939 CG LYS A 117 3.084 -0.004 -28.814 1.00 0.00 C ATOM 940 CD LYS A 117 2.488 1.319 -29.297 1.00 0.00 C ATOM 941 CE LYS A 117 3.165 2.508 -28.611 1.00 0.00 C ATOM 942 NZ LYS A 117 2.510 2.802 -27.317 1.00 0.00 N ATOM 0 H LYS A 117 0.475 -2.621 -26.855 1.00 0.00 H new ATOM 0 HA LYS A 117 1.789 0.056 -26.770 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.430 -2.030 -28.465 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.307 -1.072 -29.410 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.653 0.162 -27.899 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.782 -0.386 -29.559 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.606 1.402 -30.377 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.418 1.337 -29.091 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.221 2.289 -28.450 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.116 3.384 -29.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.890 3.689 -26.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.484 2.898 -27.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.695 2.026 -26.650 1.00 0.00 H new TER 943 LYS A 117