USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 88 ASN : amide:sc= -0.0916 K(o=-1.6,f=-2.4) USER MOD Set 1.2: A 91 ASN : amide:sc= -1.52 K(o=-1.6,f=-4.3!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.547 K(o=0.65,f=-6.9!) USER MOD Set 2.2: A 23 THR OG1 : rot 97:sc= 0.103 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.00909 USER MOD Set 3.2: A 16 GLN : amide:sc= -3.73! C(o=-3.7!,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.114 (180deg=-0.00603) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : A 5 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.011) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 18 SER OG : rot -36:sc= 0.791 USER MOD Single : A 19 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.085) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 12:sc= 1.18 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -0.854! (180deg=-0.941!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 1.06 (180deg=0.729) USER MOD Single : A 41 THR OG1 : rot 93:sc= 1.94 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 133:sc= 1.63 USER MOD Single : A 49 SER OG : rot -34:sc= 0.614 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -36:sc= 0.413 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 3:sc= -2.12! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 2.3 (180deg=2.3) USER MOD Single : A 68 MET CE :methyl -160:sc= -0.149 (180deg=-0.749) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00996 USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= 1.1 (180deg=0.645) USER MOD Single : A 71 ASN : amide:sc= -1.6! C(o=-1.6!,f=-6.7!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.408 USER MOD Single : A 78 SER OG : rot -142:sc= 1.2 USER MOD Single : A 83 THR OG1 : rot -75:sc= 0.967 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 68:sc= 1.08 USER MOD Single : A 95 THR OG1 : rot 83:sc= 1.2 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot -170:sc= -1.2 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.707 -6.013 -5.884 1.00 0.00 N ATOM 2 CA MET A 1 -18.868 -5.734 -5.046 1.00 0.00 C ATOM 3 C MET A 1 -18.468 -4.858 -3.881 1.00 0.00 C ATOM 4 O MET A 1 -17.279 -4.723 -3.596 1.00 0.00 O ATOM 5 CB MET A 1 -19.564 -7.053 -4.590 1.00 0.00 C ATOM 6 CG MET A 1 -18.684 -8.076 -3.845 1.00 0.00 C ATOM 7 SD MET A 1 -18.115 -7.534 -2.218 1.00 0.00 S ATOM 8 CE MET A 1 -17.116 -8.943 -1.728 1.00 0.00 C ATOM 0 H1 MET A 1 -17.709 -7.017 -6.157 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.746 -5.422 -6.739 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.838 -5.800 -5.355 1.00 0.00 H new ATOM 0 HA MET A 1 -19.605 -5.185 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.402 -6.790 -3.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.981 -7.540 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.246 -9.003 -3.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.815 -8.305 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.692 -8.763 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.738 -9.837 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.310 -9.086 -2.448 1.00 0.00 H new ATOM 20 N GLY A 2 -19.447 -4.246 -3.231 1.00 0.00 N ATOM 21 CA GLY A 2 -19.174 -3.406 -2.089 1.00 0.00 C ATOM 22 C GLY A 2 -18.633 -2.053 -2.482 1.00 0.00 C ATOM 23 O GLY A 2 -17.434 -1.795 -2.358 1.00 0.00 O ATOM 0 H GLY A 2 -20.434 -4.319 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.089 -3.274 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.456 -3.905 -1.438 1.00 0.00 H new ATOM 27 N HIS A 3 -19.507 -1.188 -2.942 1.00 0.00 N ATOM 28 CA HIS A 3 -19.116 0.144 -3.379 1.00 0.00 C ATOM 29 C HIS A 3 -18.968 1.059 -2.180 1.00 0.00 C ATOM 30 O HIS A 3 -19.963 1.604 -1.700 1.00 0.00 O ATOM 31 CB HIS A 3 -20.156 0.752 -4.340 1.00 0.00 C ATOM 32 CG HIS A 3 -20.444 -0.059 -5.562 1.00 0.00 C ATOM 33 ND1 HIS A 3 -21.683 -0.589 -5.837 1.00 0.00 N ATOM 34 CD2 HIS A 3 -19.663 -0.395 -6.603 1.00 0.00 C ATOM 35 CE1 HIS A 3 -21.648 -1.212 -6.991 1.00 0.00 C ATOM 36 NE2 HIS A 3 -20.435 -1.110 -7.478 1.00 0.00 N ATOM 0 H HIS A 3 -20.505 -1.380 -3.026 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.166 0.051 -3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.088 0.901 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.808 1.737 -4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -18.619 -0.147 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.477 -1.722 -7.460 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -20.118 -1.500 -8.365 1.00 0.00 H new ATOM 45 N HIS A 4 -17.737 1.177 -1.670 1.00 0.00 N ATOM 46 CA HIS A 4 -17.414 2.053 -0.530 1.00 0.00 C ATOM 47 C HIS A 4 -18.149 1.668 0.762 1.00 0.00 C ATOM 48 O HIS A 4 -19.325 1.974 0.948 1.00 0.00 O ATOM 49 CB HIS A 4 -17.595 3.553 -0.905 1.00 0.00 C ATOM 50 CG HIS A 4 -17.478 4.546 0.226 1.00 0.00 C ATOM 51 ND1 HIS A 4 -16.341 4.738 0.972 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.390 5.405 0.724 1.00 0.00 C ATOM 53 CE1 HIS A 4 -16.559 5.669 1.872 1.00 0.00 C ATOM 54 NE2 HIS A 4 -17.796 6.089 1.742 1.00 0.00 N ATOM 0 H HIS A 4 -16.932 0.668 -2.035 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.358 1.900 -0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.853 3.808 -1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.575 3.674 -1.366 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -15.463 4.235 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -19.406 5.528 0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.843 6.028 2.596 1.00 0.00 H new ATOM 63 N HIS A 5 -17.445 1.005 1.638 1.00 0.00 N ATOM 64 CA HIS A 5 -18.004 0.618 2.923 1.00 0.00 C ATOM 65 C HIS A 5 -17.675 1.682 3.937 1.00 0.00 C ATOM 66 O HIS A 5 -16.945 2.625 3.628 1.00 0.00 O ATOM 67 CB HIS A 5 -17.477 -0.749 3.400 1.00 0.00 C ATOM 68 CG HIS A 5 -17.928 -1.922 2.584 1.00 0.00 C ATOM 69 ND1 HIS A 5 -17.133 -2.542 1.654 1.00 0.00 N ATOM 70 CD2 HIS A 5 -19.088 -2.616 2.597 1.00 0.00 C ATOM 71 CE1 HIS A 5 -17.776 -3.556 1.133 1.00 0.00 C ATOM 72 NE2 HIS A 5 -18.962 -3.627 1.685 1.00 0.00 N ATOM 0 H HIS A 5 -16.478 0.716 1.493 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.084 0.520 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -16.387 -0.722 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.790 -0.902 4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -19.952 -2.411 3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -17.393 -4.223 0.375 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -19.675 -4.323 1.469 1.00 0.00 H new ATOM 81 N HIS A 6 -18.213 1.562 5.125 1.00 0.00 N ATOM 82 CA HIS A 6 -17.934 2.519 6.173 1.00 0.00 C ATOM 83 C HIS A 6 -18.282 2.004 7.557 1.00 0.00 C ATOM 84 O HIS A 6 -19.433 2.048 7.995 1.00 0.00 O ATOM 85 CB HIS A 6 -18.532 3.932 5.895 1.00 0.00 C ATOM 86 CG HIS A 6 -20.008 3.981 5.599 1.00 0.00 C ATOM 87 ND1 HIS A 6 -20.954 4.383 6.508 1.00 0.00 N ATOM 88 CD2 HIS A 6 -20.682 3.700 4.466 1.00 0.00 C ATOM 89 CE1 HIS A 6 -22.143 4.344 5.950 1.00 0.00 C ATOM 90 NE2 HIS A 6 -22.008 3.932 4.707 1.00 0.00 N ATOM 0 H HIS A 6 -18.848 0.810 5.393 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.852 2.647 6.160 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.335 4.564 6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.998 4.370 5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -20.253 3.355 3.537 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.074 4.606 6.430 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.766 3.807 4.036 1.00 0.00 H new ATOM 99 N HIS A 7 -17.283 1.480 8.209 1.00 0.00 N ATOM 100 CA HIS A 7 -17.364 1.026 9.577 1.00 0.00 C ATOM 101 C HIS A 7 -16.127 1.588 10.259 1.00 0.00 C ATOM 102 O HIS A 7 -15.111 0.887 10.433 1.00 0.00 O ATOM 103 CB HIS A 7 -17.409 -0.524 9.642 1.00 0.00 C ATOM 104 CG HIS A 7 -17.572 -1.115 11.019 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.766 -1.592 11.490 1.00 0.00 N ATOM 106 CD2 HIS A 7 -16.674 -1.336 12.008 1.00 0.00 C ATOM 107 CE1 HIS A 7 -18.596 -2.075 12.700 1.00 0.00 C ATOM 108 NE2 HIS A 7 -17.341 -1.931 13.035 1.00 0.00 N ATOM 0 H HIS A 7 -16.360 1.351 7.795 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.274 1.366 10.072 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.232 -0.872 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.490 -0.915 9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.623 -1.087 11.986 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.365 -2.517 13.315 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.928 -2.218 13.922 1.00 0.00 H new ATOM 117 N HIS A 8 -16.192 2.898 10.542 1.00 0.00 N ATOM 118 CA HIS A 8 -15.046 3.738 10.992 1.00 0.00 C ATOM 119 C HIS A 8 -14.114 4.000 9.816 1.00 0.00 C ATOM 120 O HIS A 8 -13.778 5.139 9.507 1.00 0.00 O ATOM 121 CB HIS A 8 -14.258 3.162 12.188 1.00 0.00 C ATOM 122 CG HIS A 8 -14.999 3.140 13.475 1.00 0.00 C ATOM 123 ND1 HIS A 8 -15.223 1.999 14.184 1.00 0.00 N ATOM 124 CD2 HIS A 8 -15.513 4.142 14.212 1.00 0.00 C ATOM 125 CE1 HIS A 8 -15.840 2.290 15.295 1.00 0.00 C ATOM 126 NE2 HIS A 8 -16.031 3.586 15.344 1.00 0.00 N ATOM 0 H HIS A 8 -17.061 3.426 10.466 1.00 0.00 H new ATOM 0 HA HIS A 8 -15.477 4.670 11.357 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.951 2.145 11.945 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.348 3.747 12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -15.515 5.191 13.955 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.144 1.580 16.050 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.490 4.093 16.101 1.00 0.00 H new ATOM 135 N LEU A 9 -13.730 2.935 9.182 1.00 0.00 N ATOM 136 CA LEU A 9 -12.908 2.912 8.004 1.00 0.00 C ATOM 137 C LEU A 9 -13.512 1.849 7.106 1.00 0.00 C ATOM 138 O LEU A 9 -14.536 1.250 7.482 1.00 0.00 O ATOM 139 CB LEU A 9 -11.461 2.533 8.372 1.00 0.00 C ATOM 140 CG LEU A 9 -10.705 3.495 9.302 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.315 2.960 9.610 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.610 4.883 8.678 1.00 0.00 C ATOM 0 H LEU A 9 -13.997 2.000 9.490 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.876 3.886 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.477 1.550 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.890 2.436 7.448 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.262 3.573 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.796 3.655 10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.399 1.989 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.753 2.852 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.071 5.549 9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.078 4.820 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.613 5.274 8.506 1.00 0.00 H new ATOM 154 N GLU A 10 -12.942 1.594 5.965 1.00 0.00 N ATOM 155 CA GLU A 10 -13.487 0.553 5.131 1.00 0.00 C ATOM 156 C GLU A 10 -12.452 -0.495 4.811 1.00 0.00 C ATOM 157 O GLU A 10 -11.248 -0.233 4.829 1.00 0.00 O ATOM 158 CB GLU A 10 -14.160 1.089 3.859 1.00 0.00 C ATOM 159 CG GLU A 10 -13.261 1.799 2.874 1.00 0.00 C ATOM 160 CD GLU A 10 -14.023 2.228 1.640 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.547 1.344 0.916 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.138 3.436 1.384 1.00 0.00 O ATOM 0 H GLU A 10 -12.122 2.075 5.594 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.277 0.079 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.637 0.254 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.953 1.776 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.815 2.672 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.442 1.140 2.587 1.00 0.00 H new ATOM 169 N GLU A 11 -12.907 -1.686 4.565 1.00 0.00 N ATOM 170 CA GLU A 11 -12.060 -2.748 4.249 1.00 0.00 C ATOM 171 C GLU A 11 -12.025 -2.967 2.770 1.00 0.00 C ATOM 172 O GLU A 11 -13.037 -2.823 2.074 1.00 0.00 O ATOM 173 CB GLU A 11 -12.525 -3.984 4.970 1.00 0.00 C ATOM 174 CG GLU A 11 -11.766 -5.207 4.662 1.00 0.00 C ATOM 175 CD GLU A 11 -12.155 -6.297 5.606 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.619 -6.337 6.730 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.024 -7.112 5.257 1.00 0.00 O ATOM 0 H GLU A 11 -13.897 -1.930 4.584 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.045 -2.513 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.471 -3.802 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.574 -4.155 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.960 -5.517 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.697 -5.011 4.740 1.00 0.00 H new ATOM 184 N PHE A 12 -10.888 -3.291 2.301 1.00 0.00 N ATOM 185 CA PHE A 12 -10.684 -3.572 0.940 1.00 0.00 C ATOM 186 C PHE A 12 -10.143 -4.942 0.823 1.00 0.00 C ATOM 187 O PHE A 12 -9.300 -5.306 1.573 1.00 0.00 O ATOM 188 CB PHE A 12 -9.673 -2.626 0.361 1.00 0.00 C ATOM 189 CG PHE A 12 -10.082 -1.185 0.292 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.780 -0.705 -0.802 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.760 -0.307 1.317 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.150 0.622 -0.876 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.126 1.020 1.248 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.823 1.486 0.151 1.00 0.00 C ATOM 0 H PHE A 12 -10.046 -3.371 2.871 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.629 -3.470 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.760 -2.696 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.427 -2.961 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.038 -1.377 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.217 -0.667 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.694 0.985 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.868 1.694 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.112 2.525 0.096 1.00 0.00 H new ATOM 204 N THR A 13 -10.622 -5.700 -0.081 1.00 0.00 N ATOM 205 CA THR A 13 -10.066 -6.999 -0.280 1.00 0.00 C ATOM 206 C THR A 13 -8.923 -6.866 -1.292 1.00 0.00 C ATOM 207 O THR A 13 -8.953 -5.962 -2.094 1.00 0.00 O ATOM 208 CB THR A 13 -11.116 -7.937 -0.823 1.00 0.00 C ATOM 209 OG1 THR A 13 -12.326 -7.786 -0.070 1.00 0.00 O ATOM 210 CG2 THR A 13 -10.643 -9.353 -0.713 1.00 0.00 C ATOM 0 H THR A 13 -11.395 -5.456 -0.700 1.00 0.00 H new ATOM 0 HA THR A 13 -9.702 -7.402 0.665 1.00 0.00 H new ATOM 0 HB THR A 13 -11.299 -7.698 -1.871 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.009 -8.394 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.407 -10.023 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.723 -9.475 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.454 -9.593 0.333 1.00 0.00 H new ATOM 218 N ALA A 14 -7.938 -7.756 -1.237 1.00 0.00 N ATOM 219 CA ALA A 14 -6.754 -7.705 -2.132 1.00 0.00 C ATOM 220 C ALA A 14 -7.153 -7.624 -3.606 1.00 0.00 C ATOM 221 O ALA A 14 -6.636 -6.788 -4.357 1.00 0.00 O ATOM 222 CB ALA A 14 -5.859 -8.912 -1.890 1.00 0.00 C ATOM 0 H ALA A 14 -7.924 -8.535 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.202 -6.796 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.995 -8.863 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.522 -8.913 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.418 -9.826 -2.091 1.00 0.00 H new ATOM 228 N GLU A 15 -8.102 -8.465 -3.989 1.00 0.00 N ATOM 229 CA GLU A 15 -8.620 -8.507 -5.356 1.00 0.00 C ATOM 230 C GLU A 15 -9.254 -7.167 -5.738 1.00 0.00 C ATOM 231 O GLU A 15 -9.136 -6.697 -6.875 1.00 0.00 O ATOM 232 CB GLU A 15 -9.657 -9.616 -5.461 1.00 0.00 C ATOM 233 CG GLU A 15 -9.112 -10.999 -5.165 1.00 0.00 C ATOM 234 CD GLU A 15 -10.182 -12.051 -5.203 1.00 0.00 C ATOM 235 OE1 GLU A 15 -10.599 -12.440 -6.303 1.00 0.00 O ATOM 236 OE2 GLU A 15 -10.642 -12.488 -4.122 1.00 0.00 O ATOM 0 H GLU A 15 -8.538 -9.141 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.795 -8.702 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.473 -9.403 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.080 -9.610 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.337 -11.245 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.640 -10.999 -4.183 1.00 0.00 H new ATOM 243 N GLN A 16 -9.921 -6.568 -4.785 1.00 0.00 N ATOM 244 CA GLN A 16 -10.572 -5.295 -4.974 1.00 0.00 C ATOM 245 C GLN A 16 -9.570 -4.144 -4.968 1.00 0.00 C ATOM 246 O GLN A 16 -9.611 -3.292 -5.836 1.00 0.00 O ATOM 247 CB GLN A 16 -11.693 -5.077 -3.927 1.00 0.00 C ATOM 248 CG GLN A 16 -12.992 -5.874 -4.174 1.00 0.00 C ATOM 249 CD GLN A 16 -12.819 -7.381 -4.219 1.00 0.00 C ATOM 250 OE1 GLN A 16 -12.567 -7.952 -5.269 1.00 0.00 O ATOM 251 NE2 GLN A 16 -12.967 -8.028 -3.100 1.00 0.00 N ATOM 0 H GLN A 16 -10.029 -6.953 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.039 -5.310 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.305 -5.342 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.938 -4.015 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.707 -5.628 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.429 -5.545 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.177 -7.520 -2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.873 -9.043 -3.082 1.00 0.00 H new ATOM 260 N LEU A 17 -8.653 -4.177 -4.012 1.00 0.00 N ATOM 261 CA LEU A 17 -7.657 -3.122 -3.776 1.00 0.00 C ATOM 262 C LEU A 17 -6.846 -2.860 -5.054 1.00 0.00 C ATOM 263 O LEU A 17 -6.683 -1.723 -5.465 1.00 0.00 O ATOM 264 CB LEU A 17 -6.722 -3.570 -2.608 1.00 0.00 C ATOM 265 CG LEU A 17 -5.835 -2.503 -1.880 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.899 -1.776 -2.783 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.668 -1.533 -1.083 1.00 0.00 C ATOM 0 H LEU A 17 -8.572 -4.955 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.157 -2.193 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.347 -4.046 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.055 -4.338 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.212 -3.075 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.321 -1.056 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.223 -2.488 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.468 -1.252 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.016 -0.810 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.354 -1.010 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.237 -2.076 -0.329 1.00 0.00 H new ATOM 279 N SER A 18 -6.384 -3.922 -5.691 1.00 0.00 N ATOM 280 CA SER A 18 -5.569 -3.804 -6.893 1.00 0.00 C ATOM 281 C SER A 18 -6.311 -3.169 -8.080 1.00 0.00 C ATOM 282 O SER A 18 -5.690 -2.761 -9.059 1.00 0.00 O ATOM 283 CB SER A 18 -4.981 -5.152 -7.259 1.00 0.00 C ATOM 284 OG SER A 18 -4.179 -5.624 -6.193 1.00 0.00 O ATOM 0 H SER A 18 -6.559 -4.882 -5.395 1.00 0.00 H new ATOM 0 HA SER A 18 -4.759 -3.114 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.779 -5.863 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.384 -5.065 -8.167 1.00 0.00 H new ATOM 0 HG SER A 18 -3.722 -4.868 -5.768 1.00 0.00 H new ATOM 290 N GLN A 19 -7.620 -3.067 -7.989 1.00 0.00 N ATOM 291 CA GLN A 19 -8.384 -2.431 -9.031 1.00 0.00 C ATOM 292 C GLN A 19 -8.374 -0.918 -8.829 1.00 0.00 C ATOM 293 O GLN A 19 -8.593 -0.157 -9.754 1.00 0.00 O ATOM 294 CB GLN A 19 -9.810 -2.989 -9.083 1.00 0.00 C ATOM 295 CG GLN A 19 -9.872 -4.460 -9.481 1.00 0.00 C ATOM 296 CD GLN A 19 -11.277 -5.024 -9.450 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.010 -4.966 -10.437 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.651 -5.598 -8.340 1.00 0.00 N ATOM 0 H GLN A 19 -8.172 -3.416 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.923 -2.648 -9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.276 -2.865 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.395 -2.404 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.462 -4.577 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.239 -5.039 -8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.016 -5.627 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.578 -6.018 -8.270 1.00 0.00 H new ATOM 307 N TYR A 20 -8.034 -0.500 -7.622 1.00 0.00 N ATOM 308 CA TYR A 20 -7.994 0.909 -7.245 1.00 0.00 C ATOM 309 C TYR A 20 -6.650 1.552 -7.571 1.00 0.00 C ATOM 310 O TYR A 20 -6.301 2.579 -7.029 1.00 0.00 O ATOM 311 CB TYR A 20 -8.334 1.087 -5.756 1.00 0.00 C ATOM 312 CG TYR A 20 -9.782 0.789 -5.419 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.742 1.783 -5.509 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.187 -0.470 -5.023 1.00 0.00 C ATOM 315 CE1 TYR A 20 -12.065 1.531 -5.217 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.511 -0.735 -4.726 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.444 0.269 -4.826 1.00 0.00 C ATOM 318 OH TYR A 20 -13.767 0.009 -4.540 1.00 0.00 O ATOM 0 H TYR A 20 -7.775 -1.133 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.751 1.421 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.691 0.434 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.105 2.111 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.448 2.776 -5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.457 -1.262 -4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.799 2.320 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.810 -1.726 -4.417 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.867 -0.931 -4.280 1.00 0.00 H new ATOM 328 N ASN A 21 -5.931 0.966 -8.512 1.00 0.00 N ATOM 329 CA ASN A 21 -4.642 1.517 -8.925 1.00 0.00 C ATOM 330 C ASN A 21 -4.838 2.792 -9.769 1.00 0.00 C ATOM 331 O ASN A 21 -3.901 3.566 -9.991 1.00 0.00 O ATOM 332 CB ASN A 21 -3.790 0.487 -9.699 1.00 0.00 C ATOM 333 CG ASN A 21 -4.390 0.085 -11.030 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.159 0.734 -12.028 1.00 0.00 O ATOM 335 ND2 ASN A 21 -5.122 -0.995 -11.064 1.00 0.00 N ATOM 0 H ASN A 21 -6.210 0.117 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.099 1.774 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.797 0.903 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.662 -0.403 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.518 -1.315 -11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.298 -1.519 -10.207 1.00 0.00 H new ATOM 342 N GLY A 22 -6.050 2.976 -10.265 1.00 0.00 N ATOM 343 CA GLY A 22 -6.385 4.172 -10.998 1.00 0.00 C ATOM 344 C GLY A 22 -6.698 3.893 -12.430 1.00 0.00 C ATOM 345 O GLY A 22 -7.635 4.448 -12.989 1.00 0.00 O ATOM 0 H GLY A 22 -6.815 2.308 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.243 4.654 -10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.554 4.875 -10.941 1.00 0.00 H new ATOM 349 N THR A 23 -5.944 3.008 -13.006 1.00 0.00 N ATOM 350 CA THR A 23 -6.085 2.625 -14.386 1.00 0.00 C ATOM 351 C THR A 23 -7.451 1.943 -14.655 1.00 0.00 C ATOM 352 O THR A 23 -8.003 2.031 -15.758 1.00 0.00 O ATOM 353 CB THR A 23 -4.939 1.662 -14.729 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.682 2.317 -14.496 1.00 0.00 O ATOM 355 CG2 THR A 23 -5.008 1.166 -16.152 1.00 0.00 C ATOM 0 H THR A 23 -5.193 2.517 -12.521 1.00 0.00 H new ATOM 0 HA THR A 23 -6.044 3.517 -15.012 1.00 0.00 H new ATOM 0 HB THR A 23 -5.035 0.789 -14.083 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.342 2.067 -13.611 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.175 0.489 -16.342 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.948 0.637 -16.308 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.950 2.013 -16.836 1.00 0.00 H new ATOM 363 N ASP A 24 -8.012 1.318 -13.637 1.00 0.00 N ATOM 364 CA ASP A 24 -9.220 0.559 -13.799 1.00 0.00 C ATOM 365 C ASP A 24 -10.437 1.456 -13.632 1.00 0.00 C ATOM 366 O ASP A 24 -10.836 1.749 -12.519 1.00 0.00 O ATOM 367 CB ASP A 24 -9.241 -0.560 -12.767 1.00 0.00 C ATOM 368 CG ASP A 24 -10.383 -1.536 -12.932 1.00 0.00 C ATOM 369 OD1 ASP A 24 -11.496 -1.236 -12.494 1.00 0.00 O ATOM 370 OD2 ASP A 24 -10.168 -2.633 -13.503 1.00 0.00 O ATOM 0 H ASP A 24 -7.641 1.326 -12.687 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.251 0.132 -14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.300 -1.107 -12.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.296 -0.119 -11.771 1.00 0.00 H new ATOM 375 N GLU A 25 -10.970 1.949 -14.746 1.00 0.00 N ATOM 376 CA GLU A 25 -12.195 2.795 -14.773 1.00 0.00 C ATOM 377 C GLU A 25 -12.034 4.077 -13.949 1.00 0.00 C ATOM 378 O GLU A 25 -13.027 4.687 -13.544 1.00 0.00 O ATOM 379 CB GLU A 25 -13.390 2.020 -14.244 1.00 0.00 C ATOM 380 CG GLU A 25 -13.690 0.725 -14.951 1.00 0.00 C ATOM 381 CD GLU A 25 -14.820 -0.002 -14.283 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.578 -0.670 -13.253 1.00 0.00 O ATOM 383 OE2 GLU A 25 -15.966 0.092 -14.757 1.00 0.00 O ATOM 0 H GLU A 25 -10.573 1.781 -15.671 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.358 3.073 -15.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.224 1.807 -13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.271 2.659 -14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.946 0.925 -15.991 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.800 0.095 -14.957 1.00 0.00 H new ATOM 390 N SER A 26 -10.800 4.495 -13.750 1.00 0.00 N ATOM 391 CA SER A 26 -10.456 5.651 -12.924 1.00 0.00 C ATOM 392 C SER A 26 -10.984 5.521 -11.488 1.00 0.00 C ATOM 393 O SER A 26 -11.975 6.139 -11.097 1.00 0.00 O ATOM 394 CB SER A 26 -10.796 7.022 -13.586 1.00 0.00 C ATOM 395 OG SER A 26 -12.181 7.132 -13.905 1.00 0.00 O ATOM 0 H SER A 26 -9.988 4.037 -14.163 1.00 0.00 H new ATOM 0 HA SER A 26 -9.369 5.646 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.514 7.830 -12.911 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.204 7.143 -14.493 1.00 0.00 H new ATOM 0 HG SER A 26 -12.675 6.404 -13.473 1.00 0.00 H new ATOM 401 N LYS A 27 -10.381 4.618 -10.767 1.00 0.00 N ATOM 402 CA LYS A 27 -10.679 4.405 -9.345 1.00 0.00 C ATOM 403 C LYS A 27 -9.888 5.391 -8.485 1.00 0.00 C ATOM 404 O LYS A 27 -8.878 5.947 -8.950 1.00 0.00 O ATOM 405 CB LYS A 27 -10.210 3.011 -8.939 1.00 0.00 C ATOM 406 CG LYS A 27 -10.889 1.854 -9.615 1.00 0.00 C ATOM 407 CD LYS A 27 -12.310 1.652 -9.161 1.00 0.00 C ATOM 408 CE LYS A 27 -12.923 0.463 -9.883 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.144 0.725 -11.316 1.00 0.00 N ATOM 0 H LYS A 27 -9.661 3.996 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.751 4.534 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.140 2.940 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.345 2.905 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.878 2.014 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.320 0.944 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.336 1.487 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.895 2.550 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.269 -0.402 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.873 0.207 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.610 -0.097 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.748 1.564 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.230 0.893 -11.783 1.00 0.00 H new ATOM 423 N PRO A 28 -10.348 5.657 -7.239 1.00 0.00 N ATOM 424 CA PRO A 28 -9.528 6.351 -6.248 1.00 0.00 C ATOM 425 C PRO A 28 -8.318 5.461 -5.941 1.00 0.00 C ATOM 426 O PRO A 28 -8.433 4.241 -6.000 1.00 0.00 O ATOM 427 CB PRO A 28 -10.443 6.452 -5.018 1.00 0.00 C ATOM 428 CG PRO A 28 -11.823 6.261 -5.545 1.00 0.00 C ATOM 429 CD PRO A 28 -11.692 5.342 -6.722 1.00 0.00 C ATOM 0 HA PRO A 28 -9.165 7.328 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.195 5.691 -4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.339 7.420 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.475 5.831 -4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.263 7.213 -5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.777 4.296 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.465 5.528 -7.467 1.00 0.00 H new ATOM 437 N ILE A 29 -7.206 6.044 -5.598 1.00 0.00 N ATOM 438 CA ILE A 29 -5.975 5.288 -5.495 1.00 0.00 C ATOM 439 C ILE A 29 -5.659 4.980 -4.027 1.00 0.00 C ATOM 440 O ILE A 29 -5.655 5.888 -3.171 1.00 0.00 O ATOM 441 CB ILE A 29 -4.743 6.022 -6.166 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.032 6.500 -7.611 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.538 5.115 -6.196 1.00 0.00 C ATOM 444 CD1 ILE A 29 -5.884 7.739 -7.709 1.00 0.00 C ATOM 0 H ILE A 29 -7.118 7.037 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.134 4.359 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.550 6.901 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.083 6.688 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.525 5.693 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.701 5.637 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.269 4.833 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.771 4.219 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.032 7.997 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.851 7.554 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.386 8.564 -7.199 1.00 0.00 H new ATOM 456 N TYR A 30 -5.377 3.721 -3.735 1.00 0.00 N ATOM 457 CA TYR A 30 -5.123 3.280 -2.375 1.00 0.00 C ATOM 458 C TYR A 30 -3.925 2.372 -2.327 1.00 0.00 C ATOM 459 O TYR A 30 -3.800 1.450 -3.118 1.00 0.00 O ATOM 460 CB TYR A 30 -6.327 2.526 -1.804 1.00 0.00 C ATOM 461 CG TYR A 30 -7.620 3.302 -1.741 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.830 4.257 -0.764 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.633 3.071 -2.656 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.013 4.959 -0.700 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.818 3.767 -2.596 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.001 4.710 -1.616 1.00 0.00 C ATOM 467 OH TYR A 30 -11.187 5.404 -1.546 1.00 0.00 O ATOM 0 H TYR A 30 -5.318 2.979 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.938 4.172 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.491 1.632 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.077 2.191 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.054 4.456 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.490 2.332 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.161 5.703 0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.599 3.573 -3.316 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.781 5.110 -2.268 1.00 0.00 H new ATOM 477 N VAL A 31 -3.067 2.613 -1.385 1.00 0.00 N ATOM 478 CA VAL A 31 -1.903 1.788 -1.213 1.00 0.00 C ATOM 479 C VAL A 31 -2.015 1.052 0.086 1.00 0.00 C ATOM 480 O VAL A 31 -2.778 1.454 0.961 1.00 0.00 O ATOM 481 CB VAL A 31 -0.587 2.598 -1.188 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.386 3.380 -2.440 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.504 3.504 0.010 1.00 0.00 C ATOM 0 H VAL A 31 -3.148 3.379 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.866 1.111 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 31 0.217 1.865 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.551 3.933 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.350 2.701 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.212 4.079 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.437 4.053 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.336 4.208 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.553 2.908 0.921 1.00 0.00 H new ATOM 493 N ALA A 32 -1.276 -0.002 0.225 1.00 0.00 N ATOM 494 CA ALA A 32 -1.280 -0.735 1.441 1.00 0.00 C ATOM 495 C ALA A 32 0.134 -0.992 1.899 1.00 0.00 C ATOM 496 O ALA A 32 1.015 -1.315 1.093 1.00 0.00 O ATOM 497 CB ALA A 32 -2.054 -2.036 1.286 1.00 0.00 C ATOM 0 H ALA A 32 -0.659 -0.373 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.783 -0.141 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.043 -2.580 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.084 -1.815 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.590 -2.645 0.511 1.00 0.00 H new ATOM 503 N ILE A 33 0.367 -0.776 3.159 1.00 0.00 N ATOM 504 CA ILE A 33 1.627 -1.095 3.779 1.00 0.00 C ATOM 505 C ILE A 33 1.273 -1.928 4.999 1.00 0.00 C ATOM 506 O ILE A 33 0.678 -1.417 5.940 1.00 0.00 O ATOM 507 CB ILE A 33 2.361 0.221 4.225 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.574 1.160 3.040 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.703 -0.059 4.897 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.257 2.450 3.422 1.00 0.00 C ATOM 0 H ILE A 33 -0.317 -0.369 3.796 1.00 0.00 H new ATOM 0 HA ILE A 33 2.292 -1.625 3.098 1.00 0.00 H new ATOM 0 HB ILE A 33 1.710 0.700 4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.170 0.651 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.609 1.387 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.169 0.883 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.545 -0.672 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.355 -0.588 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.379 3.073 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.650 2.979 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.236 2.231 3.849 1.00 0.00 H new ATOM 522 N LYS A 34 1.600 -3.213 4.966 1.00 0.00 N ATOM 523 CA LYS A 34 1.227 -4.152 6.038 1.00 0.00 C ATOM 524 C LYS A 34 -0.275 -4.223 6.256 1.00 0.00 C ATOM 525 O LYS A 34 -0.751 -4.533 7.346 1.00 0.00 O ATOM 526 CB LYS A 34 1.985 -3.914 7.349 1.00 0.00 C ATOM 527 CG LYS A 34 3.348 -4.562 7.369 1.00 0.00 C ATOM 528 CD LYS A 34 3.188 -6.064 7.183 1.00 0.00 C ATOM 529 CE LYS A 34 4.486 -6.786 7.250 1.00 0.00 C ATOM 530 NZ LYS A 34 4.307 -8.216 6.952 1.00 0.00 N ATOM 0 H LYS A 34 2.128 -3.640 4.205 1.00 0.00 H new ATOM 0 HA LYS A 34 1.544 -5.132 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.097 -2.841 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.393 -4.300 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.972 -4.149 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.851 -4.351 8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.519 -6.453 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.716 -6.260 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.188 -6.348 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.921 -6.669 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.141 -8.746 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.460 -8.569 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.194 -8.345 5.926 1.00 0.00 H new ATOM 544 N GLY A 35 -1.004 -3.998 5.201 1.00 0.00 N ATOM 545 CA GLY A 35 -2.427 -4.039 5.250 1.00 0.00 C ATOM 546 C GLY A 35 -3.038 -2.697 5.526 1.00 0.00 C ATOM 547 O GLY A 35 -4.220 -2.526 5.371 1.00 0.00 O ATOM 0 H GLY A 35 -0.621 -3.780 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.808 -4.418 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.739 -4.741 6.023 1.00 0.00 H new ATOM 551 N ARG A 36 -2.229 -1.753 5.936 1.00 0.00 N ATOM 552 CA ARG A 36 -2.677 -0.421 6.252 1.00 0.00 C ATOM 553 C ARG A 36 -2.882 0.325 4.962 1.00 0.00 C ATOM 554 O ARG A 36 -1.923 0.613 4.247 1.00 0.00 O ATOM 555 CB ARG A 36 -1.610 0.237 7.113 1.00 0.00 C ATOM 556 CG ARG A 36 -1.342 -0.558 8.381 1.00 0.00 C ATOM 557 CD ARG A 36 -0.008 -0.221 9.005 1.00 0.00 C ATOM 558 NE ARG A 36 0.159 1.180 9.368 1.00 0.00 N ATOM 559 CZ ARG A 36 1.262 1.648 9.961 1.00 0.00 C ATOM 560 NH1 ARG A 36 2.228 0.813 10.322 1.00 0.00 N ATOM 561 NH2 ARG A 36 1.393 2.928 10.202 1.00 0.00 N ATOM 0 H ARG A 36 -1.226 -1.891 6.061 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.619 -0.425 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.687 0.331 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.926 1.246 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.136 -0.364 9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.373 -1.623 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.124 -0.832 9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.784 -0.499 8.309 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.598 1.832 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.129 -0.187 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.069 1.171 10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.651 3.575 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.237 3.278 10.655 1.00 0.00 H new ATOM 575 N VAL A 37 -4.122 0.584 4.643 1.00 0.00 N ATOM 576 CA VAL A 37 -4.469 1.225 3.405 1.00 0.00 C ATOM 577 C VAL A 37 -4.538 2.717 3.559 1.00 0.00 C ATOM 578 O VAL A 37 -5.311 3.236 4.349 1.00 0.00 O ATOM 579 CB VAL A 37 -5.795 0.673 2.816 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.200 1.440 1.574 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.628 -0.782 2.464 1.00 0.00 C ATOM 0 H VAL A 37 -4.920 0.356 5.236 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.673 0.993 2.698 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.574 0.789 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.132 1.032 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.341 2.491 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.419 1.349 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.561 -1.166 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.833 -0.889 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.369 -1.346 3.360 1.00 0.00 H new ATOM 591 N PHE A 38 -3.727 3.387 2.808 1.00 0.00 N ATOM 592 CA PHE A 38 -3.676 4.822 2.809 1.00 0.00 C ATOM 593 C PHE A 38 -4.286 5.331 1.522 1.00 0.00 C ATOM 594 O PHE A 38 -4.051 4.749 0.448 1.00 0.00 O ATOM 595 CB PHE A 38 -2.228 5.305 2.864 1.00 0.00 C ATOM 596 CG PHE A 38 -1.433 4.904 4.080 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.823 3.660 4.151 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.278 5.775 5.139 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.082 3.297 5.257 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.532 5.418 6.245 1.00 0.00 C ATOM 601 CZ PHE A 38 0.066 4.177 6.305 1.00 0.00 C ATOM 0 H PHE A 38 -3.068 2.950 2.164 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.219 5.192 3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.710 4.933 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.228 6.393 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.929 2.967 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.746 6.748 5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.382 2.323 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.417 6.112 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.648 3.897 7.171 1.00 0.00 H new ATOM 611 N ASP A 39 -5.063 6.382 1.609 1.00 0.00 N ATOM 612 CA ASP A 39 -5.604 7.002 0.411 1.00 0.00 C ATOM 613 C ASP A 39 -4.577 7.912 -0.175 1.00 0.00 C ATOM 614 O ASP A 39 -4.163 8.882 0.456 1.00 0.00 O ATOM 615 CB ASP A 39 -6.890 7.793 0.673 1.00 0.00 C ATOM 616 CG ASP A 39 -7.372 8.523 -0.583 1.00 0.00 C ATOM 617 OD1 ASP A 39 -8.121 7.937 -1.381 1.00 0.00 O ATOM 618 OD2 ASP A 39 -6.989 9.694 -0.793 1.00 0.00 O ATOM 0 H ASP A 39 -5.337 6.827 2.485 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.858 6.199 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.669 7.115 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.716 8.516 1.470 1.00 0.00 H new ATOM 623 N VAL A 40 -4.153 7.600 -1.359 1.00 0.00 N ATOM 624 CA VAL A 40 -3.169 8.397 -2.034 1.00 0.00 C ATOM 625 C VAL A 40 -3.783 9.080 -3.233 1.00 0.00 C ATOM 626 O VAL A 40 -3.080 9.556 -4.115 1.00 0.00 O ATOM 627 CB VAL A 40 -1.923 7.572 -2.462 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.158 7.074 -1.259 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.314 6.407 -3.332 1.00 0.00 C ATOM 0 H VAL A 40 -4.476 6.789 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.824 9.149 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.278 8.238 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.292 6.501 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.824 7.923 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.805 6.438 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.422 5.849 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.991 5.753 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.813 6.774 -4.229 1.00 0.00 H new ATOM 639 N THR A 41 -5.103 9.173 -3.237 1.00 0.00 N ATOM 640 CA THR A 41 -5.818 9.812 -4.317 1.00 0.00 C ATOM 641 C THR A 41 -5.510 11.316 -4.319 1.00 0.00 C ATOM 642 O THR A 41 -5.476 11.961 -5.373 1.00 0.00 O ATOM 643 CB THR A 41 -7.338 9.589 -4.174 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.587 8.198 -3.985 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.066 10.038 -5.433 1.00 0.00 C ATOM 0 H THR A 41 -5.701 8.809 -2.495 1.00 0.00 H new ATOM 0 HA THR A 41 -5.493 9.371 -5.259 1.00 0.00 H new ATOM 0 HB THR A 41 -7.697 10.168 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.616 7.998 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.137 9.873 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.879 11.098 -5.603 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.704 9.465 -6.287 1.00 0.00 H new ATOM 653 N THR A 42 -5.249 11.854 -3.132 1.00 0.00 N ATOM 654 CA THR A 42 -4.899 13.253 -2.975 1.00 0.00 C ATOM 655 C THR A 42 -3.482 13.521 -3.540 1.00 0.00 C ATOM 656 O THR A 42 -3.137 14.655 -3.907 1.00 0.00 O ATOM 657 CB THR A 42 -5.011 13.711 -1.479 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.724 15.115 -1.354 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.067 12.917 -0.579 1.00 0.00 C ATOM 0 H THR A 42 -5.275 11.331 -2.257 1.00 0.00 H new ATOM 0 HA THR A 42 -5.614 13.846 -3.546 1.00 0.00 H new ATOM 0 HB THR A 42 -6.036 13.522 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.800 15.382 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.171 13.260 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.316 11.857 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.039 13.066 -0.909 1.00 0.00 H new ATOM 667 N GLY A 43 -2.681 12.471 -3.619 1.00 0.00 N ATOM 668 CA GLY A 43 -1.346 12.572 -4.153 1.00 0.00 C ATOM 669 C GLY A 43 -1.210 11.705 -5.377 1.00 0.00 C ATOM 670 O GLY A 43 -0.161 11.090 -5.619 1.00 0.00 O ATOM 0 H GLY A 43 -2.942 11.533 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.125 13.609 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.621 12.266 -3.399 1.00 0.00 H new ATOM 674 N LYS A 44 -2.280 11.665 -6.167 1.00 0.00 N ATOM 675 CA LYS A 44 -2.356 10.844 -7.369 1.00 0.00 C ATOM 676 C LYS A 44 -1.241 11.200 -8.326 1.00 0.00 C ATOM 677 O LYS A 44 -0.737 10.347 -9.046 1.00 0.00 O ATOM 678 CB LYS A 44 -3.697 11.049 -8.061 1.00 0.00 C ATOM 679 CG LYS A 44 -3.897 10.185 -9.293 1.00 0.00 C ATOM 680 CD LYS A 44 -5.202 10.507 -9.959 1.00 0.00 C ATOM 681 CE LYS A 44 -5.443 9.627 -11.176 1.00 0.00 C ATOM 682 NZ LYS A 44 -6.732 9.936 -11.823 1.00 0.00 N ATOM 0 H LYS A 44 -3.125 12.207 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.254 9.799 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.496 10.840 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.790 12.097 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.077 10.345 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.876 9.132 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.017 10.375 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.209 11.555 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.633 9.766 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.427 8.579 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.863 9.317 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.506 9.779 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.737 10.929 -12.131 1.00 0.00 H new ATOM 696 N SER A 45 -0.858 12.452 -8.297 1.00 0.00 N ATOM 697 CA SER A 45 0.212 13.006 -9.118 1.00 0.00 C ATOM 698 C SER A 45 1.530 12.198 -8.999 1.00 0.00 C ATOM 699 O SER A 45 2.386 12.257 -9.889 1.00 0.00 O ATOM 700 CB SER A 45 0.428 14.461 -8.729 1.00 0.00 C ATOM 701 OG SER A 45 -0.801 15.184 -8.827 1.00 0.00 O ATOM 0 H SER A 45 -1.291 13.143 -7.685 1.00 0.00 H new ATOM 0 HA SER A 45 -0.089 12.942 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.813 14.520 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.177 14.912 -9.380 1.00 0.00 H new ATOM 0 HG SER A 45 -0.652 16.119 -8.573 1.00 0.00 H new ATOM 707 N PHE A 46 1.687 11.464 -7.913 1.00 0.00 N ATOM 708 CA PHE A 46 2.821 10.583 -7.751 1.00 0.00 C ATOM 709 C PHE A 46 2.449 9.159 -8.094 1.00 0.00 C ATOM 710 O PHE A 46 3.175 8.479 -8.814 1.00 0.00 O ATOM 711 CB PHE A 46 3.394 10.645 -6.332 1.00 0.00 C ATOM 712 CG PHE A 46 4.059 11.945 -5.990 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.333 13.004 -5.484 1.00 0.00 C ATOM 714 CD2 PHE A 46 5.422 12.102 -6.178 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.954 14.195 -5.172 1.00 0.00 C ATOM 716 CE2 PHE A 46 6.047 13.288 -5.866 1.00 0.00 C ATOM 717 CZ PHE A 46 5.312 14.335 -5.362 1.00 0.00 C ATOM 0 H PHE A 46 1.037 11.463 -7.127 1.00 0.00 H new ATOM 0 HA PHE A 46 3.592 10.926 -8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.589 10.464 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.116 9.838 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.269 12.899 -5.331 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.003 11.282 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.376 15.018 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.111 13.396 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.799 15.267 -5.115 1.00 0.00 H new ATOM 727 N TYR A 47 1.308 8.712 -7.617 1.00 0.00 N ATOM 728 CA TYR A 47 0.936 7.334 -7.794 1.00 0.00 C ATOM 729 C TYR A 47 0.217 7.085 -9.114 1.00 0.00 C ATOM 730 O TYR A 47 0.845 6.706 -10.098 1.00 0.00 O ATOM 731 CB TYR A 47 0.125 6.851 -6.590 1.00 0.00 C ATOM 732 CG TYR A 47 0.867 7.077 -5.295 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.760 8.284 -4.625 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.699 6.114 -4.764 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.451 8.521 -3.472 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.403 6.352 -3.602 1.00 0.00 C ATOM 737 CZ TYR A 47 2.271 7.558 -2.963 1.00 0.00 C ATOM 738 OH TYR A 47 2.975 7.805 -1.814 1.00 0.00 O ATOM 0 H TYR A 47 0.630 9.280 -7.109 1.00 0.00 H new ATOM 0 HA TYR A 47 1.851 6.744 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.830 7.376 -6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.098 5.790 -6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.116 9.054 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.801 5.162 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.348 9.469 -2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.055 5.592 -3.197 1.00 0.00 H new ATOM 0 HH TYR A 47 2.881 7.044 -1.203 1.00 0.00 H new ATOM 748 N GLY A 48 -1.066 7.399 -9.163 1.00 0.00 N ATOM 749 CA GLY A 48 -1.875 7.047 -10.325 1.00 0.00 C ATOM 750 C GLY A 48 -1.650 7.938 -11.534 1.00 0.00 C ATOM 751 O GLY A 48 -2.203 7.691 -12.595 1.00 0.00 O ATOM 0 H GLY A 48 -1.568 7.891 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.661 6.015 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.928 7.090 -10.047 1.00 0.00 H new ATOM 755 N SER A 49 -0.864 8.963 -11.372 1.00 0.00 N ATOM 756 CA SER A 49 -0.585 9.889 -12.441 1.00 0.00 C ATOM 757 C SER A 49 0.890 10.250 -12.440 1.00 0.00 C ATOM 758 O SER A 49 1.328 11.151 -13.166 1.00 0.00 O ATOM 759 CB SER A 49 -1.460 11.127 -12.252 1.00 0.00 C ATOM 760 OG SER A 49 -1.287 12.089 -13.282 1.00 0.00 O ATOM 0 H SER A 49 -0.395 9.184 -10.494 1.00 0.00 H new ATOM 0 HA SER A 49 -0.814 9.437 -13.406 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.506 10.824 -12.217 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.229 11.586 -11.291 1.00 0.00 H new ATOM 0 HG SER A 49 -0.356 12.077 -13.588 1.00 0.00 H new ATOM 766 N GLY A 50 1.652 9.542 -11.637 1.00 0.00 N ATOM 767 CA GLY A 50 3.065 9.790 -11.573 1.00 0.00 C ATOM 768 C GLY A 50 3.820 8.689 -12.220 1.00 0.00 C ATOM 769 O GLY A 50 5.008 8.827 -12.519 1.00 0.00 O ATOM 0 H GLY A 50 1.316 8.797 -11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.296 10.735 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.375 9.888 -10.533 1.00 0.00 H new ATOM 773 N GLY A 51 3.123 7.583 -12.439 1.00 0.00 N ATOM 774 CA GLY A 51 3.702 6.416 -13.086 1.00 0.00 C ATOM 775 C GLY A 51 4.688 5.654 -12.244 1.00 0.00 C ATOM 776 O GLY A 51 4.477 4.486 -11.923 1.00 0.00 O ATOM 0 H GLY A 51 2.144 7.470 -12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.896 5.742 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.198 6.735 -14.003 1.00 0.00 H new ATOM 780 N ASP A 52 5.718 6.320 -11.861 1.00 0.00 N ATOM 781 CA ASP A 52 6.835 5.748 -11.136 1.00 0.00 C ATOM 782 C ASP A 52 6.445 5.203 -9.758 1.00 0.00 C ATOM 783 O ASP A 52 7.110 4.313 -9.216 1.00 0.00 O ATOM 784 CB ASP A 52 7.901 6.803 -11.021 1.00 0.00 C ATOM 785 CG ASP A 52 9.091 6.371 -10.187 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.942 5.599 -10.677 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.192 6.803 -9.023 1.00 0.00 O ATOM 0 H ASP A 52 5.826 7.318 -12.043 1.00 0.00 H new ATOM 0 HA ASP A 52 7.204 4.885 -11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.245 7.071 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.466 7.701 -10.582 1.00 0.00 H new ATOM 792 N TYR A 53 5.383 5.720 -9.198 1.00 0.00 N ATOM 793 CA TYR A 53 4.911 5.248 -7.913 1.00 0.00 C ATOM 794 C TYR A 53 3.633 4.440 -8.087 1.00 0.00 C ATOM 795 O TYR A 53 3.032 4.012 -7.120 1.00 0.00 O ATOM 796 CB TYR A 53 4.654 6.422 -6.956 1.00 0.00 C ATOM 797 CG TYR A 53 5.872 7.261 -6.625 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.243 8.333 -7.425 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.639 6.986 -5.503 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.343 9.104 -7.116 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.743 7.751 -5.187 1.00 0.00 C ATOM 802 CZ TYR A 53 8.091 8.808 -5.996 1.00 0.00 C ATOM 803 OH TYR A 53 9.190 9.581 -5.680 1.00 0.00 O ATOM 0 H TYR A 53 4.825 6.469 -9.608 1.00 0.00 H new ATOM 0 HA TYR A 53 5.685 4.612 -7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.895 7.069 -7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.239 6.029 -6.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.660 8.567 -8.304 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.367 6.158 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.618 9.936 -7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.330 7.521 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 53 9.605 9.239 -4.861 1.00 0.00 H new ATOM 813 N SER A 54 3.252 4.188 -9.333 1.00 0.00 N ATOM 814 CA SER A 54 1.995 3.517 -9.618 1.00 0.00 C ATOM 815 C SER A 54 2.088 2.014 -9.381 1.00 0.00 C ATOM 816 O SER A 54 1.075 1.312 -9.471 1.00 0.00 O ATOM 817 CB SER A 54 1.515 3.799 -11.041 1.00 0.00 C ATOM 818 OG SER A 54 0.207 3.283 -11.266 1.00 0.00 O ATOM 0 H SER A 54 3.796 4.438 -10.159 1.00 0.00 H new ATOM 0 HA SER A 54 1.261 3.924 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.518 4.874 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.209 3.355 -11.754 1.00 0.00 H new ATOM 0 HG SER A 54 0.100 2.439 -10.779 1.00 0.00 H new ATOM 824 N MET A 55 3.295 1.506 -9.125 1.00 0.00 N ATOM 825 CA MET A 55 3.452 0.092 -8.779 1.00 0.00 C ATOM 826 C MET A 55 2.734 -0.165 -7.494 1.00 0.00 C ATOM 827 O MET A 55 2.178 -1.228 -7.274 1.00 0.00 O ATOM 828 CB MET A 55 4.902 -0.329 -8.641 1.00 0.00 C ATOM 829 CG MET A 55 5.735 -0.198 -9.895 1.00 0.00 C ATOM 830 SD MET A 55 6.027 1.522 -10.379 1.00 0.00 S ATOM 831 CE MET A 55 7.030 1.300 -11.846 1.00 0.00 C ATOM 0 H MET A 55 4.163 2.041 -9.150 1.00 0.00 H new ATOM 0 HA MET A 55 3.031 -0.497 -9.594 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.363 0.268 -7.854 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.932 -1.368 -8.312 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.694 -0.693 -9.740 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.235 -0.719 -10.712 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.290 2.274 -12.260 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.941 0.761 -11.586 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.470 0.729 -12.587 1.00 0.00 H new ATOM 841 N PHE A 56 2.744 0.828 -6.662 1.00 0.00 N ATOM 842 CA PHE A 56 1.987 0.835 -5.476 1.00 0.00 C ATOM 843 C PHE A 56 0.885 1.840 -5.580 1.00 0.00 C ATOM 844 O PHE A 56 0.948 2.906 -5.026 1.00 0.00 O ATOM 845 CB PHE A 56 2.831 0.963 -4.177 1.00 0.00 C ATOM 846 CG PHE A 56 4.015 1.901 -4.239 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.221 1.469 -4.783 1.00 0.00 C ATOM 848 CD2 PHE A 56 3.938 3.188 -3.747 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.315 2.303 -4.837 1.00 0.00 C ATOM 850 CE2 PHE A 56 5.039 4.030 -3.798 1.00 0.00 C ATOM 851 CZ PHE A 56 6.226 3.584 -4.343 1.00 0.00 C ATOM 0 H PHE A 56 3.297 1.673 -6.804 1.00 0.00 H new ATOM 0 HA PHE A 56 1.534 -0.151 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.174 1.294 -3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.193 -0.028 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.300 0.463 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.012 3.543 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.242 1.952 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.967 5.036 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.084 4.239 -4.382 1.00 0.00 H new ATOM 861 N ALA A 57 -0.049 1.538 -6.447 1.00 0.00 N ATOM 862 CA ALA A 57 -1.259 2.305 -6.563 1.00 0.00 C ATOM 863 C ALA A 57 -2.441 1.445 -6.123 1.00 0.00 C ATOM 864 O ALA A 57 -3.538 1.932 -5.912 1.00 0.00 O ATOM 865 CB ALA A 57 -1.431 2.792 -7.988 1.00 0.00 C ATOM 0 H ALA A 57 0.011 0.751 -7.093 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.207 3.182 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.351 3.372 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.582 3.418 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.484 1.936 -8.661 1.00 0.00 H new ATOM 871 N GLY A 58 -2.190 0.152 -6.023 1.00 0.00 N ATOM 872 CA GLY A 58 -3.171 -0.788 -5.541 1.00 0.00 C ATOM 873 C GLY A 58 -2.501 -2.078 -5.158 1.00 0.00 C ATOM 874 O GLY A 58 -2.891 -3.162 -5.593 1.00 0.00 O ATOM 0 H GLY A 58 -1.297 -0.271 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.695 -0.371 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.920 -0.972 -6.311 1.00 0.00 H new ATOM 878 N LYS A 59 -1.487 -1.956 -4.347 1.00 0.00 N ATOM 879 CA LYS A 59 -0.683 -3.081 -3.906 1.00 0.00 C ATOM 880 C LYS A 59 -0.252 -2.862 -2.494 1.00 0.00 C ATOM 881 O LYS A 59 -0.159 -1.707 -2.043 1.00 0.00 O ATOM 882 CB LYS A 59 0.607 -3.154 -4.735 1.00 0.00 C ATOM 883 CG LYS A 59 0.493 -3.518 -6.210 1.00 0.00 C ATOM 884 CD LYS A 59 0.435 -5.017 -6.472 1.00 0.00 C ATOM 885 CE LYS A 59 -0.834 -5.687 -5.992 1.00 0.00 C ATOM 886 NZ LYS A 59 -0.868 -7.108 -6.382 1.00 0.00 N ATOM 0 H LYS A 59 -1.184 -1.061 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.279 -3.987 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.102 -2.185 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.266 -3.882 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.403 -3.052 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.345 -3.098 -6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.540 -5.191 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.288 -5.492 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.905 -5.603 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.700 -5.172 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.749 -7.541 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.825 -7.185 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.054 -7.602 -5.964 1.00 0.00 H new ATOM 900 N ASP A 60 0.003 -3.934 -1.791 1.00 0.00 N ATOM 901 CA ASP A 60 0.659 -3.816 -0.523 1.00 0.00 C ATOM 902 C ASP A 60 2.126 -3.903 -0.841 1.00 0.00 C ATOM 903 O ASP A 60 2.622 -4.947 -1.293 1.00 0.00 O ATOM 904 CB ASP A 60 0.275 -4.916 0.457 1.00 0.00 C ATOM 905 CG ASP A 60 0.792 -4.622 1.868 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.024 -4.655 2.099 1.00 0.00 O ATOM 907 OD2 ASP A 60 -0.044 -4.377 2.768 1.00 0.00 O ATOM 0 H ASP A 60 -0.231 -4.886 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 60 0.372 -2.885 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.810 -5.020 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.679 -5.868 0.112 1.00 0.00 H new ATOM 912 N ALA A 61 2.798 -2.818 -0.696 1.00 0.00 N ATOM 913 CA ALA A 61 4.174 -2.732 -1.085 1.00 0.00 C ATOM 914 C ALA A 61 5.106 -2.780 0.103 1.00 0.00 C ATOM 915 O ALA A 61 6.224 -2.292 0.010 1.00 0.00 O ATOM 916 CB ALA A 61 4.382 -1.455 -1.870 1.00 0.00 C ATOM 0 H ALA A 61 2.415 -1.958 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 61 4.411 -3.597 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.427 -1.379 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.748 -1.466 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.121 -0.599 -1.248 1.00 0.00 H new ATOM 922 N SER A 62 4.687 -3.430 1.184 1.00 0.00 N ATOM 923 CA SER A 62 5.491 -3.489 2.398 1.00 0.00 C ATOM 924 C SER A 62 6.919 -4.048 2.114 1.00 0.00 C ATOM 925 O SER A 62 7.902 -3.529 2.633 1.00 0.00 O ATOM 926 CB SER A 62 4.773 -4.313 3.482 1.00 0.00 C ATOM 927 OG SER A 62 5.466 -4.266 4.723 1.00 0.00 O ATOM 0 H SER A 62 3.796 -3.923 1.243 1.00 0.00 H new ATOM 0 HA SER A 62 5.613 -2.471 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.760 -3.934 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.685 -5.349 3.153 1.00 0.00 H new ATOM 0 HG SER A 62 6.243 -3.674 4.642 1.00 0.00 H new ATOM 933 N ARG A 63 7.019 -5.074 1.284 1.00 0.00 N ATOM 934 CA ARG A 63 8.326 -5.632 0.913 1.00 0.00 C ATOM 935 C ARG A 63 9.099 -4.699 -0.016 1.00 0.00 C ATOM 936 O ARG A 63 10.314 -4.516 0.137 1.00 0.00 O ATOM 937 CB ARG A 63 8.170 -7.009 0.259 1.00 0.00 C ATOM 938 CG ARG A 63 9.453 -7.550 -0.353 1.00 0.00 C ATOM 939 CD ARG A 63 9.260 -8.921 -0.955 1.00 0.00 C ATOM 940 NE ARG A 63 10.386 -9.274 -1.814 1.00 0.00 N ATOM 941 CZ ARG A 63 10.755 -10.501 -2.158 1.00 0.00 C ATOM 942 NH1 ARG A 63 10.122 -11.563 -1.674 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.753 -10.661 -3.013 1.00 0.00 N ATOM 0 H ARG A 63 6.221 -5.540 0.853 1.00 0.00 H new ATOM 0 HA ARG A 63 8.898 -5.741 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.809 -7.716 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.407 -6.947 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.805 -6.863 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.228 -7.596 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.157 -9.660 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.336 -8.943 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 63 10.942 -8.504 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.341 -11.441 -1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.416 -12.501 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.229 -9.846 -3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.046 -11.599 -3.285 1.00 0.00 H new ATOM 957 N ALA A 64 8.377 -4.040 -0.904 1.00 0.00 N ATOM 958 CA ALA A 64 8.984 -3.241 -1.959 1.00 0.00 C ATOM 959 C ALA A 64 9.584 -2.014 -1.354 1.00 0.00 C ATOM 960 O ALA A 64 10.616 -1.516 -1.794 1.00 0.00 O ATOM 961 CB ALA A 64 7.947 -2.879 -3.007 1.00 0.00 C ATOM 0 H ALA A 64 7.357 -4.042 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 64 9.768 -3.815 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.414 -2.282 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.536 -3.790 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.145 -2.305 -2.542 1.00 0.00 H new ATOM 967 N LEU A 65 8.928 -1.554 -0.321 1.00 0.00 N ATOM 968 CA LEU A 65 9.354 -0.437 0.455 1.00 0.00 C ATOM 969 C LEU A 65 10.711 -0.676 1.111 1.00 0.00 C ATOM 970 O LEU A 65 11.491 0.241 1.272 1.00 0.00 O ATOM 971 CB LEU A 65 8.290 -0.104 1.499 1.00 0.00 C ATOM 972 CG LEU A 65 6.970 0.486 0.985 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.034 0.805 2.130 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.239 1.721 0.196 1.00 0.00 C ATOM 0 H LEU A 65 8.055 -1.966 0.008 1.00 0.00 H new ATOM 0 HA LEU A 65 9.479 0.414 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.061 -1.015 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.722 0.600 2.210 1.00 0.00 H new ATOM 0 HG LEU A 65 6.491 -0.257 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.107 1.222 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.815 -0.107 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.505 1.530 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.297 2.134 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.738 2.455 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.878 1.478 -0.653 1.00 0.00 H new ATOM 986 N GLY A 66 10.996 -1.907 1.459 1.00 0.00 N ATOM 987 CA GLY A 66 12.254 -2.183 2.098 1.00 0.00 C ATOM 988 C GLY A 66 13.326 -2.565 1.115 1.00 0.00 C ATOM 989 O GLY A 66 14.516 -2.301 1.335 1.00 0.00 O ATOM 0 H GLY A 66 10.389 -2.714 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.575 -1.304 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.123 -2.989 2.819 1.00 0.00 H new ATOM 993 N LYS A 67 12.919 -3.191 0.035 1.00 0.00 N ATOM 994 CA LYS A 67 13.838 -3.570 -1.020 1.00 0.00 C ATOM 995 C LYS A 67 14.266 -2.355 -1.795 1.00 0.00 C ATOM 996 O LYS A 67 15.387 -2.301 -2.314 1.00 0.00 O ATOM 997 CB LYS A 67 13.170 -4.570 -1.983 1.00 0.00 C ATOM 998 CG LYS A 67 12.803 -5.927 -1.383 1.00 0.00 C ATOM 999 CD LYS A 67 13.979 -6.927 -1.312 1.00 0.00 C ATOM 1000 CE LYS A 67 15.180 -6.399 -0.573 1.00 0.00 C ATOM 1001 NZ LYS A 67 16.238 -7.413 -0.411 1.00 0.00 N ATOM 0 H LYS A 67 11.948 -3.452 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 67 14.709 -4.038 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.264 -4.113 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.840 -4.736 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.410 -5.773 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.001 -6.368 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.638 -7.841 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.277 -7.196 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.584 -5.541 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.870 -6.043 0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.041 -6.998 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.864 -8.222 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.556 -7.735 -1.347 1.00 0.00 H new ATOM 1015 N MET A 68 13.360 -1.383 -1.862 1.00 0.00 N ATOM 1016 CA MET A 68 13.521 -0.191 -2.661 1.00 0.00 C ATOM 1017 C MET A 68 13.484 -0.636 -4.078 1.00 0.00 C ATOM 1018 O MET A 68 14.431 -0.492 -4.853 1.00 0.00 O ATOM 1019 CB MET A 68 14.775 0.643 -2.315 1.00 0.00 C ATOM 1020 CG MET A 68 14.738 1.306 -0.953 1.00 0.00 C ATOM 1021 SD MET A 68 13.432 2.544 -0.805 1.00 0.00 S ATOM 1022 CE MET A 68 13.929 3.721 -2.065 1.00 0.00 C ATOM 0 H MET A 68 12.479 -1.411 -1.349 1.00 0.00 H new ATOM 0 HA MET A 68 12.713 0.509 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.651 -0.004 -2.365 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.904 1.413 -3.076 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.596 0.543 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.701 1.777 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.458 4.684 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.013 3.837 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.619 3.358 -3.045 1.00 0.00 H new ATOM 1032 N SER A 69 12.398 -1.286 -4.363 1.00 0.00 N ATOM 1033 CA SER A 69 12.120 -1.886 -5.590 1.00 0.00 C ATOM 1034 C SER A 69 10.666 -1.727 -5.789 1.00 0.00 C ATOM 1035 O SER A 69 9.963 -1.261 -4.889 1.00 0.00 O ATOM 1036 CB SER A 69 12.513 -3.357 -5.544 1.00 0.00 C ATOM 1037 OG SER A 69 13.889 -3.472 -5.172 1.00 0.00 O ATOM 0 H SER A 69 11.645 -1.408 -3.685 1.00 0.00 H new ATOM 0 HA SER A 69 12.678 -1.434 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.886 -3.890 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.349 -3.819 -6.518 1.00 0.00 H new ATOM 0 HG SER A 69 14.141 -4.418 -5.141 1.00 0.00 H new ATOM 1043 N LYS A 70 10.208 -2.082 -6.921 1.00 0.00 N ATOM 1044 CA LYS A 70 8.866 -1.804 -7.276 1.00 0.00 C ATOM 1045 C LYS A 70 8.312 -2.746 -8.330 1.00 0.00 C ATOM 1046 O LYS A 70 7.184 -2.587 -8.749 1.00 0.00 O ATOM 1047 CB LYS A 70 8.789 -0.342 -7.701 1.00 0.00 C ATOM 1048 CG LYS A 70 10.047 0.101 -8.443 1.00 0.00 C ATOM 1049 CD LYS A 70 9.949 1.490 -9.003 1.00 0.00 C ATOM 1050 CE LYS A 70 9.776 2.524 -7.901 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.708 3.889 -8.438 1.00 0.00 N ATOM 0 H LYS A 70 10.747 -2.574 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 70 8.227 -1.975 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.919 -0.195 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.647 0.285 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.898 0.050 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.246 -0.598 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.847 1.716 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.107 1.547 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.866 2.309 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.607 2.450 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.282 4.524 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.074 3.898 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.720 4.214 -8.437 1.00 0.00 H new ATOM 1065 N ASN A 71 9.091 -3.723 -8.764 1.00 0.00 N ATOM 1066 CA ASN A 71 8.549 -4.722 -9.684 1.00 0.00 C ATOM 1067 C ASN A 71 7.533 -5.524 -8.971 1.00 0.00 C ATOM 1068 O ASN A 71 7.695 -5.885 -7.809 1.00 0.00 O ATOM 1069 CB ASN A 71 9.616 -5.638 -10.334 1.00 0.00 C ATOM 1070 CG ASN A 71 10.398 -6.495 -9.346 1.00 0.00 C ATOM 1071 OD1 ASN A 71 9.987 -7.588 -8.988 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.533 -6.029 -8.955 1.00 0.00 N ATOM 0 H ASN A 71 10.070 -3.849 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 71 8.101 -4.180 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.125 -6.292 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.317 -5.018 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.120 -6.577 -8.326 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.845 -5.112 -9.274 1.00 0.00 H new ATOM 1079 N GLU A 72 6.511 -5.802 -9.690 1.00 0.00 N ATOM 1080 CA GLU A 72 5.319 -6.484 -9.266 1.00 0.00 C ATOM 1081 C GLU A 72 5.642 -7.872 -8.689 1.00 0.00 C ATOM 1082 O GLU A 72 4.860 -8.449 -7.926 1.00 0.00 O ATOM 1083 CB GLU A 72 4.507 -6.576 -10.524 1.00 0.00 C ATOM 1084 CG GLU A 72 3.169 -7.202 -10.458 1.00 0.00 C ATOM 1085 CD GLU A 72 2.198 -6.518 -9.527 1.00 0.00 C ATOM 1086 OE1 GLU A 72 1.596 -5.503 -9.917 1.00 0.00 O ATOM 1087 OE2 GLU A 72 1.994 -7.002 -8.418 1.00 0.00 O ATOM 0 H GLU A 72 6.471 -5.542 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 72 4.792 -5.966 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.381 -5.565 -10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.095 -7.127 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.741 -7.218 -11.460 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.283 -8.239 -10.144 1.00 0.00 H new ATOM 1094 N GLU A 73 6.804 -8.377 -9.037 1.00 0.00 N ATOM 1095 CA GLU A 73 7.254 -9.644 -8.558 1.00 0.00 C ATOM 1096 C GLU A 73 7.719 -9.502 -7.093 1.00 0.00 C ATOM 1097 O GLU A 73 7.487 -10.382 -6.270 1.00 0.00 O ATOM 1098 CB GLU A 73 8.408 -10.153 -9.428 1.00 0.00 C ATOM 1099 CG GLU A 73 8.130 -10.089 -10.919 1.00 0.00 C ATOM 1100 CD GLU A 73 9.228 -10.709 -11.753 1.00 0.00 C ATOM 1101 OE1 GLU A 73 9.390 -11.938 -11.713 1.00 0.00 O ATOM 1102 OE2 GLU A 73 9.932 -9.973 -12.482 1.00 0.00 O ATOM 0 H GLU A 73 7.459 -7.910 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 73 6.435 -10.361 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.301 -9.567 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.629 -11.184 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.190 -10.599 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.001 -9.048 -11.214 1.00 0.00 H new ATOM 1109 N ASP A 74 8.372 -8.378 -6.776 1.00 0.00 N ATOM 1110 CA ASP A 74 8.889 -8.133 -5.442 1.00 0.00 C ATOM 1111 C ASP A 74 7.818 -7.508 -4.553 1.00 0.00 C ATOM 1112 O ASP A 74 7.768 -7.766 -3.358 1.00 0.00 O ATOM 1113 CB ASP A 74 10.123 -7.224 -5.516 1.00 0.00 C ATOM 1114 CG ASP A 74 10.772 -6.997 -4.172 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.643 -7.826 -3.776 1.00 0.00 O ATOM 1116 OD2 ASP A 74 10.441 -6.014 -3.510 1.00 0.00 O ATOM 0 H ASP A 74 8.552 -7.623 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 74 9.180 -9.087 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.852 -7.666 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.834 -6.263 -5.940 1.00 0.00 H new ATOM 1121 N VAL A 75 6.917 -6.740 -5.165 1.00 0.00 N ATOM 1122 CA VAL A 75 5.845 -6.061 -4.428 1.00 0.00 C ATOM 1123 C VAL A 75 4.966 -7.112 -3.743 1.00 0.00 C ATOM 1124 O VAL A 75 4.433 -8.019 -4.396 1.00 0.00 O ATOM 1125 CB VAL A 75 4.992 -5.160 -5.375 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.932 -4.401 -4.624 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.868 -4.182 -6.102 1.00 0.00 C ATOM 0 H VAL A 75 6.906 -6.571 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 75 6.289 -5.410 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 75 4.504 -5.824 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.362 -3.787 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.263 -5.104 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.403 -3.761 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.256 -3.563 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.383 -3.548 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.603 -4.724 -6.697 1.00 0.00 H new ATOM 1137 N SER A 76 4.827 -6.980 -2.431 1.00 0.00 N ATOM 1138 CA SER A 76 4.203 -7.985 -1.604 1.00 0.00 C ATOM 1139 C SER A 76 4.111 -7.466 -0.148 1.00 0.00 C ATOM 1140 O SER A 76 4.922 -6.617 0.258 1.00 0.00 O ATOM 1141 CB SER A 76 5.092 -9.247 -1.658 1.00 0.00 C ATOM 1142 OG SER A 76 4.549 -10.341 -0.927 1.00 0.00 O ATOM 0 H SER A 76 5.149 -6.163 -1.913 1.00 0.00 H new ATOM 0 HA SER A 76 3.197 -8.212 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.229 -9.544 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.079 -9.007 -1.262 1.00 0.00 H new ATOM 0 HG SER A 76 5.150 -11.112 -0.997 1.00 0.00 H new ATOM 1148 N PRO A 77 3.109 -7.939 0.636 1.00 0.00 N ATOM 1149 CA PRO A 77 2.966 -7.582 2.063 1.00 0.00 C ATOM 1150 C PRO A 77 3.914 -8.390 2.967 1.00 0.00 C ATOM 1151 O PRO A 77 4.069 -8.100 4.162 1.00 0.00 O ATOM 1152 CB PRO A 77 1.517 -7.970 2.366 1.00 0.00 C ATOM 1153 CG PRO A 77 1.224 -9.094 1.435 1.00 0.00 C ATOM 1154 CD PRO A 77 1.998 -8.809 0.177 1.00 0.00 C ATOM 0 HA PRO A 77 3.206 -6.535 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.398 -8.276 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.840 -7.132 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.524 -10.048 1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.156 -9.160 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.370 -9.726 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.380 -8.309 -0.569 1.00 0.00 H new ATOM 1162 N SER A 78 4.528 -9.396 2.395 1.00 0.00 N ATOM 1163 CA SER A 78 5.427 -10.278 3.113 1.00 0.00 C ATOM 1164 C SER A 78 6.744 -9.614 3.299 1.00 0.00 C ATOM 1165 O SER A 78 7.205 -8.876 2.438 1.00 0.00 O ATOM 1166 CB SER A 78 5.601 -11.576 2.338 1.00 0.00 C ATOM 1167 OG SER A 78 6.405 -12.523 3.035 1.00 0.00 O ATOM 0 H SER A 78 4.420 -9.631 1.408 1.00 0.00 H new ATOM 0 HA SER A 78 5.004 -10.503 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.622 -12.011 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.055 -11.360 1.371 1.00 0.00 H new ATOM 0 HG SER A 78 6.979 -12.997 2.398 1.00 0.00 H new ATOM 1173 N LEU A 79 7.356 -9.885 4.407 1.00 0.00 N ATOM 1174 CA LEU A 79 8.596 -9.309 4.707 1.00 0.00 C ATOM 1175 C LEU A 79 9.599 -10.382 4.808 1.00 0.00 C ATOM 1176 O LEU A 79 9.852 -10.942 5.879 1.00 0.00 O ATOM 1177 CB LEU A 79 8.561 -8.434 5.946 1.00 0.00 C ATOM 1178 CG LEU A 79 7.617 -7.238 5.895 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.834 -6.314 7.085 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.752 -6.491 4.585 1.00 0.00 C ATOM 0 H LEU A 79 6.996 -10.517 5.122 1.00 0.00 H new ATOM 0 HA LEU A 79 8.870 -8.630 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.282 -9.055 6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.570 -8.067 6.136 1.00 0.00 H new ATOM 0 HG LEU A 79 6.597 -7.617 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.147 -5.471 7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.651 -6.862 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.860 -5.947 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.067 -5.643 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.775 -6.132 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.511 -7.160 3.758 1.00 0.00 H new ATOM 1192 N GLU A 80 10.087 -10.726 3.677 1.00 0.00 N ATOM 1193 CA GLU A 80 11.014 -11.765 3.514 1.00 0.00 C ATOM 1194 C GLU A 80 12.098 -11.285 2.576 1.00 0.00 C ATOM 1195 O GLU A 80 11.813 -10.601 1.588 1.00 0.00 O ATOM 1196 CB GLU A 80 10.290 -12.986 2.949 1.00 0.00 C ATOM 1197 CG GLU A 80 9.567 -12.714 1.634 1.00 0.00 C ATOM 1198 CD GLU A 80 8.940 -13.938 1.047 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.762 -14.240 1.378 1.00 0.00 O ATOM 1200 OE2 GLU A 80 9.609 -14.629 0.239 1.00 0.00 O ATOM 0 H GLU A 80 9.836 -10.266 2.802 1.00 0.00 H new ATOM 0 HA GLU A 80 11.468 -12.047 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.012 -13.788 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.568 -13.342 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.796 -11.961 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.274 -12.295 0.917 1.00 0.00 H new ATOM 1207 N GLY A 81 13.320 -11.572 2.911 1.00 0.00 N ATOM 1208 CA GLY A 81 14.417 -11.154 2.082 1.00 0.00 C ATOM 1209 C GLY A 81 14.815 -9.770 2.463 1.00 0.00 C ATOM 1210 O GLY A 81 15.391 -9.016 1.671 1.00 0.00 O ATOM 0 H GLY A 81 13.585 -12.091 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.260 -11.834 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.128 -11.187 1.031 1.00 0.00 H new ATOM 1214 N LEU A 82 14.484 -9.437 3.681 1.00 0.00 N ATOM 1215 CA LEU A 82 14.718 -8.165 4.240 1.00 0.00 C ATOM 1216 C LEU A 82 15.470 -8.297 5.533 1.00 0.00 C ATOM 1217 O LEU A 82 15.069 -9.061 6.430 1.00 0.00 O ATOM 1218 CB LEU A 82 13.394 -7.485 4.541 1.00 0.00 C ATOM 1219 CG LEU A 82 12.482 -7.142 3.375 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.243 -6.492 3.903 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.164 -6.199 2.430 1.00 0.00 C ATOM 0 H LEU A 82 14.026 -10.082 4.324 1.00 0.00 H new ATOM 0 HA LEU A 82 15.297 -7.580 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.836 -8.128 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.609 -6.562 5.079 1.00 0.00 H new ATOM 0 HG LEU A 82 12.234 -8.058 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.582 -6.242 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.733 -7.177 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.510 -5.582 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.494 -5.966 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.423 -5.281 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.071 -6.664 2.043 1.00 0.00 H new ATOM 1233 N THR A 83 16.534 -7.587 5.628 1.00 0.00 N ATOM 1234 CA THR A 83 17.283 -7.494 6.841 1.00 0.00 C ATOM 1235 C THR A 83 16.726 -6.347 7.684 1.00 0.00 C ATOM 1236 O THR A 83 15.747 -5.701 7.268 1.00 0.00 O ATOM 1237 CB THR A 83 18.764 -7.279 6.535 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.913 -6.159 5.635 1.00 0.00 O ATOM 1239 CG2 THR A 83 19.345 -8.526 5.901 1.00 0.00 C ATOM 0 H THR A 83 16.921 -7.043 4.857 1.00 0.00 H new ATOM 0 HA THR A 83 17.192 -8.424 7.402 1.00 0.00 H new ATOM 0 HB THR A 83 19.297 -7.071 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.649 -6.429 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.401 -8.366 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 83 19.238 -9.367 6.587 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.814 -8.744 4.974 1.00 0.00 H new ATOM 1247 N GLU A 84 17.323 -6.083 8.844 1.00 0.00 N ATOM 1248 CA GLU A 84 16.839 -5.024 9.722 1.00 0.00 C ATOM 1249 C GLU A 84 16.847 -3.694 8.982 1.00 0.00 C ATOM 1250 O GLU A 84 15.867 -2.959 9.017 1.00 0.00 O ATOM 1251 CB GLU A 84 17.680 -4.927 10.993 1.00 0.00 C ATOM 1252 CG GLU A 84 17.133 -3.932 12.007 1.00 0.00 C ATOM 1253 CD GLU A 84 18.009 -3.796 13.221 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.971 -4.676 14.101 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.769 -2.819 13.310 1.00 0.00 O ATOM 0 H GLU A 84 18.138 -6.586 9.195 1.00 0.00 H new ATOM 0 HA GLU A 84 15.818 -5.267 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.738 -5.912 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.697 -4.640 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.026 -2.957 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.137 -4.247 12.317 1.00 0.00 H new ATOM 1262 N LYS A 85 17.947 -3.428 8.275 1.00 0.00 N ATOM 1263 CA LYS A 85 18.107 -2.220 7.452 1.00 0.00 C ATOM 1264 C LYS A 85 16.963 -2.087 6.478 1.00 0.00 C ATOM 1265 O LYS A 85 16.334 -1.032 6.352 1.00 0.00 O ATOM 1266 CB LYS A 85 19.363 -2.341 6.603 1.00 0.00 C ATOM 1267 CG LYS A 85 19.528 -1.191 5.616 1.00 0.00 C ATOM 1268 CD LYS A 85 20.513 -1.530 4.523 1.00 0.00 C ATOM 1269 CE LYS A 85 21.901 -1.785 5.063 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.840 -2.127 3.984 1.00 0.00 N ATOM 0 H LYS A 85 18.758 -4.046 8.255 1.00 0.00 H new ATOM 0 HA LYS A 85 18.150 -1.366 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.234 -2.379 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.335 -3.282 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.562 -0.950 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.866 -0.301 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.167 -2.413 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.550 -0.712 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.257 -0.900 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.867 -2.597 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.784 -2.296 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.512 -2.986 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.889 -1.341 3.304 1.00 0.00 H new ATOM 1284 N GLU A 86 16.705 -3.166 5.804 1.00 0.00 N ATOM 1285 CA GLU A 86 15.757 -3.217 4.761 1.00 0.00 C ATOM 1286 C GLU A 86 14.382 -3.015 5.270 1.00 0.00 C ATOM 1287 O GLU A 86 13.600 -2.294 4.677 1.00 0.00 O ATOM 1288 CB GLU A 86 15.925 -4.508 4.028 1.00 0.00 C ATOM 1289 CG GLU A 86 17.251 -4.554 3.299 1.00 0.00 C ATOM 1290 CD GLU A 86 17.511 -5.831 2.583 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.792 -6.840 3.254 1.00 0.00 O ATOM 1292 OE2 GLU A 86 17.463 -5.850 1.348 1.00 0.00 O ATOM 0 H GLU A 86 17.169 -4.057 5.979 1.00 0.00 H new ATOM 0 HA GLU A 86 15.928 -2.400 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.864 -5.339 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.110 -4.633 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.286 -3.735 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.053 -4.384 4.017 1.00 0.00 H new ATOM 1299 N ILE A 87 14.084 -3.603 6.381 1.00 0.00 N ATOM 1300 CA ILE A 87 12.819 -3.378 6.962 1.00 0.00 C ATOM 1301 C ILE A 87 12.731 -1.934 7.458 1.00 0.00 C ATOM 1302 O ILE A 87 11.727 -1.279 7.245 1.00 0.00 O ATOM 1303 CB ILE A 87 12.502 -4.343 8.088 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.515 -5.777 7.591 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.153 -4.017 8.623 1.00 0.00 C ATOM 1306 CD1 ILE A 87 12.186 -6.779 8.670 1.00 0.00 C ATOM 0 H ILE A 87 14.698 -4.236 6.894 1.00 0.00 H new ATOM 0 HA ILE A 87 12.073 -3.553 6.187 1.00 0.00 H new ATOM 0 HB ILE A 87 13.258 -4.245 8.867 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.798 -5.880 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.499 -6.004 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.908 -4.702 9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.148 -2.994 8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.413 -4.116 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.211 -7.785 8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.918 -6.701 9.474 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.191 -6.575 9.065 1.00 0.00 H new ATOM 1318 N ASN A 88 13.821 -1.435 8.076 1.00 0.00 N ATOM 1319 CA ASN A 88 13.899 -0.028 8.561 1.00 0.00 C ATOM 1320 C ASN A 88 13.541 0.939 7.489 1.00 0.00 C ATOM 1321 O ASN A 88 12.908 1.963 7.742 1.00 0.00 O ATOM 1322 CB ASN A 88 15.290 0.347 9.048 1.00 0.00 C ATOM 1323 CG ASN A 88 15.687 -0.250 10.373 1.00 0.00 C ATOM 1324 OD1 ASN A 88 14.845 -0.517 11.230 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.967 -0.450 10.564 1.00 0.00 N ATOM 0 H ASN A 88 14.664 -1.981 8.255 1.00 0.00 H new ATOM 0 HA ASN A 88 13.191 0.026 9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.016 0.039 8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.351 1.433 9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.296 -0.840 11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.635 -0.216 9.829 1.00 0.00 H new ATOM 1332 N THR A 89 13.949 0.611 6.306 1.00 0.00 N ATOM 1333 CA THR A 89 13.696 1.394 5.146 1.00 0.00 C ATOM 1334 C THR A 89 12.177 1.518 4.898 1.00 0.00 C ATOM 1335 O THR A 89 11.655 2.603 4.658 1.00 0.00 O ATOM 1336 CB THR A 89 14.388 0.729 3.952 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.813 0.660 4.191 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.120 1.485 2.698 1.00 0.00 C ATOM 0 H THR A 89 14.484 -0.237 6.117 1.00 0.00 H new ATOM 0 HA THR A 89 14.090 2.401 5.284 1.00 0.00 H new ATOM 0 HB THR A 89 13.990 -0.279 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.992 0.030 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.621 0.995 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.046 1.512 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.496 2.503 2.800 1.00 0.00 H new ATOM 1346 N LEU A 90 11.489 0.415 5.032 1.00 0.00 N ATOM 1347 CA LEU A 90 10.066 0.353 4.828 1.00 0.00 C ATOM 1348 C LEU A 90 9.382 0.994 5.997 1.00 0.00 C ATOM 1349 O LEU A 90 8.386 1.661 5.848 1.00 0.00 O ATOM 1350 CB LEU A 90 9.645 -1.092 4.664 1.00 0.00 C ATOM 1351 CG LEU A 90 8.411 -1.542 5.434 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.120 -1.179 4.744 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.497 -2.987 5.808 1.00 0.00 C ATOM 0 H LEU A 90 11.908 -0.479 5.290 1.00 0.00 H new ATOM 0 HA LEU A 90 9.783 0.891 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.469 -1.276 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.481 -1.725 4.963 1.00 0.00 H new ATOM 0 HG LEU A 90 8.395 -0.979 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.278 -1.527 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.061 -0.097 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.087 -1.651 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.600 -3.275 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.580 -3.592 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.373 -3.149 6.435 1.00 0.00 H new ATOM 1365 N ASN A 91 9.933 0.749 7.168 1.00 0.00 N ATOM 1366 CA ASN A 91 9.469 1.358 8.400 1.00 0.00 C ATOM 1367 C ASN A 91 9.470 2.880 8.245 1.00 0.00 C ATOM 1368 O ASN A 91 8.555 3.579 8.707 1.00 0.00 O ATOM 1369 CB ASN A 91 10.379 0.976 9.567 1.00 0.00 C ATOM 1370 CG ASN A 91 10.487 -0.517 9.889 1.00 0.00 C ATOM 1371 OD1 ASN A 91 11.510 -0.963 10.405 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.481 -1.300 9.579 1.00 0.00 N ATOM 0 H ASN A 91 10.723 0.116 7.294 1.00 0.00 H new ATOM 0 HA ASN A 91 8.460 1.000 8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.380 1.353 9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.025 1.493 10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.538 -2.301 9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.642 -0.908 9.152 1.00 0.00 H new ATOM 1379 N ASP A 92 10.506 3.378 7.586 1.00 0.00 N ATOM 1380 CA ASP A 92 10.628 4.786 7.251 1.00 0.00 C ATOM 1381 C ASP A 92 9.495 5.172 6.312 1.00 0.00 C ATOM 1382 O ASP A 92 8.808 6.154 6.538 1.00 0.00 O ATOM 1383 CB ASP A 92 11.993 5.055 6.605 1.00 0.00 C ATOM 1384 CG ASP A 92 12.161 6.472 6.117 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.607 7.339 6.891 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.878 6.734 4.930 1.00 0.00 O ATOM 0 H ASP A 92 11.291 2.810 7.267 1.00 0.00 H new ATOM 0 HA ASP A 92 10.560 5.391 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.778 4.833 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.130 4.372 5.766 1.00 0.00 H new ATOM 1391 N TRP A 93 9.293 4.358 5.283 1.00 0.00 N ATOM 1392 CA TRP A 93 8.187 4.517 4.342 1.00 0.00 C ATOM 1393 C TRP A 93 6.827 4.573 5.020 1.00 0.00 C ATOM 1394 O TRP A 93 6.024 5.460 4.712 1.00 0.00 O ATOM 1395 CB TRP A 93 8.228 3.458 3.253 1.00 0.00 C ATOM 1396 CG TRP A 93 9.241 3.712 2.158 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.398 3.029 1.923 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.170 4.730 1.147 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.039 3.536 0.813 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.306 4.588 0.325 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.250 5.745 0.854 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.542 5.421 -0.769 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.489 6.568 -0.228 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.626 6.402 -1.027 1.00 0.00 C ATOM 0 H TRP A 93 9.896 3.562 5.075 1.00 0.00 H new ATOM 0 HA TRP A 93 8.326 5.489 3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.444 2.493 3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.238 3.382 2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.761 2.207 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 93 11.913 3.187 0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.369 5.881 1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.417 5.295 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 7.786 7.354 -0.462 1.00 0.00 H new ATOM 0 HH2 TRP A 93 9.783 7.064 -1.866 1.00 0.00 H new ATOM 1415 N GLU A 94 6.581 3.654 5.945 1.00 0.00 N ATOM 1416 CA GLU A 94 5.343 3.628 6.735 1.00 0.00 C ATOM 1417 C GLU A 94 5.091 5.009 7.326 1.00 0.00 C ATOM 1418 O GLU A 94 4.037 5.581 7.162 1.00 0.00 O ATOM 1419 CB GLU A 94 5.480 2.611 7.883 1.00 0.00 C ATOM 1420 CG GLU A 94 5.662 1.169 7.435 1.00 0.00 C ATOM 1421 CD GLU A 94 5.883 0.214 8.591 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.962 0.031 9.400 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.973 -0.397 8.697 1.00 0.00 O ATOM 0 H GLU A 94 7.231 2.902 6.174 1.00 0.00 H new ATOM 0 HA GLU A 94 4.513 3.342 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.331 2.895 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.592 2.672 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.782 0.855 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.511 1.110 6.754 1.00 0.00 H new ATOM 1430 N THR A 95 6.121 5.526 7.927 1.00 0.00 N ATOM 1431 CA THR A 95 6.165 6.807 8.614 1.00 0.00 C ATOM 1432 C THR A 95 5.829 7.988 7.670 1.00 0.00 C ATOM 1433 O THR A 95 5.224 8.990 8.084 1.00 0.00 O ATOM 1434 CB THR A 95 7.599 6.999 9.174 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.931 5.888 10.033 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.733 8.286 9.966 1.00 0.00 C ATOM 0 H THR A 95 7.018 5.041 7.959 1.00 0.00 H new ATOM 0 HA THR A 95 5.419 6.801 9.408 1.00 0.00 H new ATOM 0 HB THR A 95 8.280 7.050 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.247 5.137 9.489 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.753 8.379 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.503 9.135 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.039 8.270 10.807 1.00 0.00 H new ATOM 1444 N LYS A 96 6.204 7.859 6.420 1.00 0.00 N ATOM 1445 CA LYS A 96 6.032 8.927 5.460 1.00 0.00 C ATOM 1446 C LYS A 96 4.597 8.989 5.052 1.00 0.00 C ATOM 1447 O LYS A 96 3.988 10.055 4.990 1.00 0.00 O ATOM 1448 CB LYS A 96 6.949 8.697 4.280 1.00 0.00 C ATOM 1449 CG LYS A 96 8.391 8.517 4.714 1.00 0.00 C ATOM 1450 CD LYS A 96 8.939 9.742 5.420 1.00 0.00 C ATOM 1451 CE LYS A 96 10.368 9.511 5.858 1.00 0.00 C ATOM 1452 NZ LYS A 96 10.931 10.670 6.577 1.00 0.00 N ATOM 0 H LYS A 96 6.635 7.016 6.039 1.00 0.00 H new ATOM 0 HA LYS A 96 6.299 9.887 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.621 7.814 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.878 9.542 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.463 7.656 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.006 8.299 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.892 10.603 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.321 9.976 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.410 8.632 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.983 9.296 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.911 10.463 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.917 11.504 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.362 10.861 7.426 1.00 0.00 H new ATOM 1466 N PHE A 97 4.054 7.825 4.818 1.00 0.00 N ATOM 1467 CA PHE A 97 2.667 7.665 4.511 1.00 0.00 C ATOM 1468 C PHE A 97 1.824 8.040 5.715 1.00 0.00 C ATOM 1469 O PHE A 97 0.811 8.686 5.579 1.00 0.00 O ATOM 1470 CB PHE A 97 2.391 6.242 4.063 1.00 0.00 C ATOM 1471 CG PHE A 97 2.847 5.920 2.663 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.162 5.583 2.393 1.00 0.00 C ATOM 1473 CD2 PHE A 97 1.946 5.939 1.617 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.569 5.274 1.112 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.348 5.633 0.333 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.660 5.299 0.083 1.00 0.00 C ATOM 0 H PHE A 97 4.576 6.949 4.837 1.00 0.00 H new ATOM 0 HA PHE A 97 2.399 8.331 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.880 5.557 4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.319 6.055 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.881 5.562 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.914 6.196 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.599 5.013 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.633 5.656 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.974 5.057 -0.922 1.00 0.00 H new ATOM 1486 N GLU A 98 2.311 7.675 6.884 1.00 0.00 N ATOM 1487 CA GLU A 98 1.702 7.993 8.180 1.00 0.00 C ATOM 1488 C GLU A 98 1.459 9.494 8.372 1.00 0.00 C ATOM 1489 O GLU A 98 0.540 9.892 9.087 1.00 0.00 O ATOM 1490 CB GLU A 98 2.627 7.465 9.285 1.00 0.00 C ATOM 1491 CG GLU A 98 2.394 6.032 9.695 1.00 0.00 C ATOM 1492 CD GLU A 98 1.070 5.848 10.398 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.985 6.149 11.599 1.00 0.00 O ATOM 1494 OE2 GLU A 98 0.103 5.373 9.778 1.00 0.00 O ATOM 0 H GLU A 98 3.169 7.131 6.971 1.00 0.00 H new ATOM 0 HA GLU A 98 0.723 7.516 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.659 7.566 8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.514 8.100 10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.427 5.393 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.201 5.708 10.353 1.00 0.00 H new ATOM 1501 N ALA A 99 2.260 10.311 7.733 1.00 0.00 N ATOM 1502 CA ALA A 99 2.128 11.742 7.877 1.00 0.00 C ATOM 1503 C ALA A 99 1.541 12.404 6.632 1.00 0.00 C ATOM 1504 O ALA A 99 1.020 13.507 6.704 1.00 0.00 O ATOM 1505 CB ALA A 99 3.474 12.352 8.195 1.00 0.00 C ATOM 0 H ALA A 99 3.009 10.011 7.109 1.00 0.00 H new ATOM 0 HA ALA A 99 1.433 11.921 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.368 13.432 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.854 11.930 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.172 12.135 7.387 1.00 0.00 H new ATOM 1511 N LYS A 100 1.613 11.742 5.497 1.00 0.00 N ATOM 1512 CA LYS A 100 1.181 12.344 4.245 1.00 0.00 C ATOM 1513 C LYS A 100 -0.189 11.873 3.846 1.00 0.00 C ATOM 1514 O LYS A 100 -0.938 12.601 3.200 1.00 0.00 O ATOM 1515 CB LYS A 100 2.175 12.024 3.102 1.00 0.00 C ATOM 1516 CG LYS A 100 3.335 13.023 2.789 1.00 0.00 C ATOM 1517 CD LYS A 100 4.316 13.345 3.928 1.00 0.00 C ATOM 1518 CE LYS A 100 3.726 14.288 4.959 1.00 0.00 C ATOM 1519 NZ LYS A 100 4.726 14.713 5.957 1.00 0.00 N ATOM 0 H LYS A 100 1.965 10.789 5.411 1.00 0.00 H new ATOM 0 HA LYS A 100 1.150 13.421 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.627 11.057 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.594 11.902 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.909 12.622 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.891 13.960 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.614 12.418 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.219 13.790 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.320 15.166 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.895 13.797 5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.281 15.356 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.096 13.878 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.507 15.204 5.478 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.527 10.675 4.241 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.734 10.056 3.787 1.00 0.00 C ATOM 1535 C TYR A 101 -2.530 9.448 4.934 1.00 0.00 C ATOM 1536 O TYR A 101 -1.960 9.016 5.935 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.383 8.991 2.750 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.697 9.547 1.521 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.410 10.260 0.571 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.663 9.365 1.315 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.795 10.776 -0.543 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.287 9.880 0.201 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.553 10.586 -0.724 1.00 0.00 C ATOM 1544 OH TYR A 101 1.172 11.108 -1.837 1.00 0.00 O ATOM 0 H TYR A 101 0.026 10.107 4.883 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.368 10.820 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.736 8.245 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.295 8.477 2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.470 10.413 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.241 8.811 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.368 11.328 -1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.346 9.731 0.054 1.00 0.00 H new ATOM 0 HH TYR A 101 2.084 10.755 -1.900 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.862 9.441 4.817 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.735 8.872 5.824 1.00 0.00 C ATOM 1556 C PRO A 102 -4.963 7.366 5.634 1.00 0.00 C ATOM 1557 O PRO A 102 -5.196 6.885 4.511 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.038 9.624 5.581 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.068 9.815 4.111 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.637 10.036 3.701 1.00 0.00 C ATOM 0 HA PRO A 102 -4.323 8.970 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.900 9.054 5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.054 10.578 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.488 8.942 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.690 10.668 3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.412 9.550 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.414 11.096 3.577 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.879 6.630 6.718 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.215 5.211 6.705 1.00 0.00 C ATOM 1570 C VAL A 103 -6.730 5.100 6.649 1.00 0.00 C ATOM 1571 O VAL A 103 -7.422 5.377 7.630 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.677 4.423 7.956 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.091 2.956 7.896 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.173 4.495 8.040 1.00 0.00 C ATOM 0 H VAL A 103 -4.581 6.985 7.627 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.735 4.759 5.837 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.112 4.891 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.707 2.433 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.179 2.885 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.684 2.500 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.831 3.941 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.737 4.059 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.863 5.536 8.126 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.238 4.748 5.499 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.679 4.674 5.287 1.00 0.00 C ATOM 1586 C VAL A 104 -9.236 3.278 5.546 1.00 0.00 C ATOM 1587 O VAL A 104 -10.441 3.036 5.389 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.087 5.159 3.876 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.800 6.646 3.724 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.344 4.376 2.809 1.00 0.00 C ATOM 0 H VAL A 104 -6.679 4.504 4.681 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.120 5.350 6.020 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.157 4.991 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.092 6.973 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.367 7.204 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.735 6.828 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.643 4.731 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.271 4.518 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.584 3.317 2.902 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.378 2.375 5.952 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.809 1.047 6.267 1.00 0.00 C ATOM 1602 C GLY A 105 -7.712 0.062 6.084 1.00 0.00 C ATOM 1603 O GLY A 105 -6.531 0.420 6.175 1.00 0.00 O ATOM 0 H GLY A 105 -7.379 2.541 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.162 1.013 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.652 0.776 5.632 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.065 -1.164 5.813 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.063 -2.173 5.604 1.00 0.00 C ATOM 1609 C ARG A 106 -7.407 -2.932 4.364 1.00 0.00 C ATOM 1610 O ARG A 106 -8.550 -2.866 3.874 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.965 -3.228 6.762 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.931 -4.400 6.616 1.00 0.00 C ATOM 1613 CD ARG A 106 -9.340 -3.987 6.768 1.00 0.00 C ATOM 1614 NE ARG A 106 -9.665 -3.666 8.163 1.00 0.00 N ATOM 1615 CZ ARG A 106 -10.767 -3.034 8.597 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -11.636 -2.528 7.735 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -10.970 -2.877 9.903 1.00 0.00 N ATOM 0 H ARG A 106 -9.029 -1.487 5.732 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.110 -1.646 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.946 -3.613 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.156 -2.729 7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.793 -4.862 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.694 -5.158 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.534 -3.117 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.993 -4.786 6.417 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.988 -3.951 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.471 -2.617 6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.471 -2.049 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.289 -3.237 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.807 -2.397 10.235 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.471 -3.642 3.876 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.739 -4.567 2.867 1.00 0.00 C ATOM 1633 C VAL A 107 -6.844 -5.940 3.539 1.00 0.00 C ATOM 1634 O VAL A 107 -6.112 -6.241 4.494 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.694 -4.587 1.754 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -4.398 -5.065 2.282 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -6.170 -5.458 0.647 1.00 0.00 C ATOM 0 H VAL A 107 -5.495 -3.595 4.169 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.667 -4.284 2.370 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.550 -3.577 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.660 -5.075 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.061 -4.399 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.516 -6.073 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.426 -5.474 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.323 -6.470 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.110 -5.069 0.257 1.00 0.00 H new ATOM 1647 N VAL A 108 -7.756 -6.704 3.105 1.00 0.00 N ATOM 1648 CA VAL A 108 -8.040 -7.951 3.679 1.00 0.00 C ATOM 1649 C VAL A 108 -7.919 -9.018 2.590 1.00 0.00 C ATOM 1650 O VAL A 108 -8.190 -8.740 1.411 1.00 0.00 O ATOM 1651 CB VAL A 108 -9.465 -7.887 4.250 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -10.583 -7.987 3.213 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.671 -8.733 5.462 1.00 0.00 C ATOM 0 H VAL A 108 -8.350 -6.472 2.309 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.348 -8.201 4.483 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.553 -6.863 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -11.550 -7.932 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -10.495 -7.165 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.503 -8.935 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.701 -8.633 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.469 -9.776 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.993 -8.409 6.252 1.00 0.00 H new ATOM 1663 N SER A 109 -7.461 -10.178 2.938 1.00 0.00 N ATOM 1664 CA SER A 109 -7.342 -11.223 1.974 1.00 0.00 C ATOM 1665 C SER A 109 -7.759 -12.541 2.625 1.00 0.00 C ATOM 1666 O SER A 109 -6.912 -13.208 3.242 1.00 0.00 O ATOM 1667 CB SER A 109 -5.883 -11.272 1.440 1.00 0.00 C ATOM 1668 OG SER A 109 -5.693 -12.256 0.416 1.00 0.00 O ATOM 1669 OXT SER A 109 -8.951 -12.892 2.549 1.00 0.00 O ATOM 0 H SER A 109 -7.164 -10.425 3.882 1.00 0.00 H new ATOM 0 HA SER A 109 -7.997 -11.041 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.613 -10.291 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.206 -11.482 2.268 1.00 0.00 H new ATOM 0 HG SER A 109 -4.760 -12.241 0.117 1.00 0.00 H new TER 1675 SER A 109