USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 63 ASN : amide:sc= -1.64! X(o=-1.6!,f=-1.7) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 149:sc= -1.08! USER MOD Set 2.2: A 52 ASN : amide:sc= -4.77 X(o=-7.3,f=-7.7!) USER MOD Set 2.3: A 104 HEC O2A : rot -168:sc= -1.49! USER MOD Set 3.1: A 46 TYR OH : rot 130:sc= -0.216 USER MOD Set 3.2: A 104 HEC O2D : rot 170:sc= -0.248 USER MOD Set 4.1: A 19 THR OG1 : rot -85:sc= -1.61 USER MOD Set 4.2: A 22 LYS NZ :NH3+ -161:sc= 0.732 (180deg=0) USER MOD Set 4.3: A 31 ASN : amide:sc= -7.18! C(o=-17!,f=-14!) USER MOD Set 4.4: A 33 HIS : no HE2:sc= -8.85! C(o=-17!,f=-24!) USER MOD Single : A 2 SER OG : rot -33:sc= 1.46 USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.767 (180deg=-1.95!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 172:sc= -0.218 (180deg=-0.308) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= -0.458 (180deg=-3.67!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.73 K(o=-2.7,f=-0.89) USER MOD Single : A 26 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-5!) USER MOD Single : A 40 SER OG : rot -70:sc= -1.15 USER MOD Single : A 42 GLN : amide:sc= -5.99! C(o=-6!,f=-5.3!) USER MOD Single : A 47 SER OG : rot 32:sc= 0.226 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0861 X(o=-0.086,f=-0.17) USER MOD Single : A 62 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.9!) USER MOD Single : A 64 MET CE :methyl 139:sc= -11.4! (180deg=-20!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 67 TYR OH : rot -110:sc= 0.382 USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.522 USER MOD Single : A 70 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -1.87 (180deg=-2.7) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.617 K(o=-0.62,f=-1.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0755) USER MOD Single : A 102 SER OG : rot 120:sc= -0.402 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 10.480 -17.575 -3.747 1.00 0.00 N ATOM 2 CA THR A -5 11.430 -16.833 -4.559 1.00 0.00 C ATOM 3 C THR A -5 10.789 -15.551 -5.094 1.00 0.00 C ATOM 4 O THR A -5 11.367 -14.471 -4.984 1.00 0.00 O ATOM 5 CB THR A -5 11.937 -17.765 -5.662 1.00 0.00 C ATOM 6 OG1 THR A -5 12.751 -16.926 -6.477 1.00 0.00 O ATOM 7 CG2 THR A -5 10.820 -18.225 -6.600 1.00 0.00 C ATOM 0 H1 THR A -5 10.882 -18.503 -3.504 1.00 0.00 H new ATOM 0 H2 THR A -5 10.280 -17.045 -2.875 1.00 0.00 H new ATOM 0 H3 THR A -5 9.597 -17.709 -4.281 1.00 0.00 H new ATOM 0 HA THR A -5 12.286 -16.508 -3.968 1.00 0.00 H new ATOM 0 HB THR A -5 12.413 -18.636 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A -5 13.122 -17.450 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A -5 11.234 -18.884 -7.363 1.00 0.00 H new ATOM 0 HG22 THR A -5 10.063 -18.763 -6.029 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.365 -17.357 -7.077 1.00 0.00 H new ATOM 15 N GLU A -4 9.602 -15.713 -5.660 1.00 0.00 N ATOM 16 CA GLU A -4 8.876 -14.582 -6.212 1.00 0.00 C ATOM 17 C GLU A -4 7.597 -14.330 -5.411 1.00 0.00 C ATOM 18 O GLU A -4 7.411 -13.248 -4.856 1.00 0.00 O ATOM 19 CB GLU A -4 8.561 -14.803 -7.693 1.00 0.00 C ATOM 20 CG GLU A -4 9.665 -14.225 -8.581 1.00 0.00 C ATOM 21 CD GLU A -4 10.936 -15.072 -8.496 1.00 0.00 C ATOM 22 OE1 GLU A -4 10.972 -16.113 -9.187 1.00 0.00 O ATOM 23 OE2 GLU A -4 11.844 -14.659 -7.742 1.00 0.00 O ATOM 0 H GLU A -4 9.125 -16.610 -5.748 1.00 0.00 H new ATOM 0 HA GLU A -4 9.508 -13.697 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A -4 8.452 -15.869 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A -4 7.608 -14.334 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A -4 9.321 -14.182 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU A -4 9.884 -13.202 -8.275 1.00 0.00 H new ATOM 30 N PHE A -3 6.749 -15.347 -5.376 1.00 0.00 N ATOM 31 CA PHE A -3 5.493 -15.249 -4.652 1.00 0.00 C ATOM 32 C PHE A -3 4.739 -16.580 -4.680 1.00 0.00 C ATOM 33 O PHE A -3 4.862 -17.347 -5.634 1.00 0.00 O ATOM 34 CB PHE A -3 4.651 -14.184 -5.358 1.00 0.00 C ATOM 35 CG PHE A -3 3.144 -14.338 -5.142 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.575 -13.904 -3.986 1.00 0.00 C ATOM 37 CD2 PHE A -3 2.374 -14.909 -6.106 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.177 -14.047 -3.785 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.976 -15.052 -5.906 1.00 0.00 C ATOM 40 CZ PHE A -3 0.406 -14.618 -4.750 1.00 0.00 C ATOM 0 H PHE A -3 6.907 -16.243 -5.837 1.00 0.00 H new ATOM 0 HA PHE A -3 5.683 -14.992 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.959 -13.200 -5.006 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.860 -14.220 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.187 -13.450 -3.220 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.826 -15.254 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.725 -13.703 -2.866 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.365 -15.506 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.658 -14.726 -4.598 1.00 0.00 H new ATOM 50 N LYS A -2 3.975 -16.813 -3.623 1.00 0.00 N ATOM 51 CA LYS A -2 3.200 -18.038 -3.515 1.00 0.00 C ATOM 52 C LYS A -2 1.712 -17.691 -3.444 1.00 0.00 C ATOM 53 O LYS A -2 1.323 -16.746 -2.759 1.00 0.00 O ATOM 54 CB LYS A -2 3.692 -18.880 -2.336 1.00 0.00 C ATOM 55 CG LYS A -2 2.802 -20.107 -2.129 1.00 0.00 C ATOM 56 CD LYS A -2 3.539 -21.194 -1.344 1.00 0.00 C ATOM 57 CE LYS A -2 3.728 -20.782 0.117 1.00 0.00 C ATOM 58 NZ LYS A -2 5.166 -20.619 0.427 1.00 0.00 N ATOM 0 H LYS A -2 3.876 -16.175 -2.834 1.00 0.00 H new ATOM 0 HA LYS A -2 3.341 -18.657 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A -2 4.719 -19.198 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A -2 3.699 -18.274 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A -2 1.897 -19.818 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A -2 2.489 -20.501 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A -2 2.977 -22.127 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A -2 4.510 -21.382 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A -2 3.200 -19.848 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A -2 3.291 -21.535 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 5.277 -20.339 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 5.661 -21.519 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 5.572 -19.884 -0.186 1.00 0.00 H new ATOM 72 N ALA A -1 0.919 -18.474 -4.161 1.00 0.00 N ATOM 73 CA ALA A -1 -0.518 -18.261 -4.188 1.00 0.00 C ATOM 74 C ALA A -1 -1.148 -18.906 -2.952 1.00 0.00 C ATOM 75 O ALA A -1 -0.579 -19.831 -2.372 1.00 0.00 O ATOM 76 CB ALA A -1 -1.092 -18.817 -5.492 1.00 0.00 C ATOM 0 H ALA A -1 1.245 -19.257 -4.728 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.749 -17.196 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.170 -18.657 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -0.633 -18.306 -6.339 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.882 -19.885 -5.556 1.00 0.00 H new ATOM 82 N GLY A 1 -2.313 -18.394 -2.585 1.00 0.00 N ATOM 83 CA GLY A 1 -3.026 -18.909 -1.428 1.00 0.00 C ATOM 84 C GLY A 1 -4.527 -19.006 -1.708 1.00 0.00 C ATOM 85 O GLY A 1 -5.093 -20.098 -1.710 1.00 0.00 O ATOM 0 H GLY A 1 -2.782 -17.628 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.637 -19.893 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.854 -18.258 -0.571 1.00 0.00 H new ATOM 89 N SER A 2 -5.130 -17.848 -1.938 1.00 0.00 N ATOM 90 CA SER A 2 -6.554 -17.789 -2.218 1.00 0.00 C ATOM 91 C SER A 2 -7.349 -17.883 -0.914 1.00 0.00 C ATOM 92 O SER A 2 -7.435 -18.952 -0.312 1.00 0.00 O ATOM 93 CB SER A 2 -6.974 -18.905 -3.177 1.00 0.00 C ATOM 94 OG SER A 2 -7.365 -20.086 -2.483 1.00 0.00 O ATOM 0 H SER A 2 -4.658 -16.944 -1.936 1.00 0.00 H new ATOM 0 HA SER A 2 -6.768 -16.834 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.801 -18.558 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.147 -19.136 -3.849 1.00 0.00 H new ATOM 0 HG SER A 2 -6.838 -20.172 -1.661 1.00 0.00 H new ATOM 100 N ALA A 3 -7.909 -16.750 -0.516 1.00 0.00 N ATOM 101 CA ALA A 3 -8.693 -16.691 0.705 1.00 0.00 C ATOM 102 C ALA A 3 -8.012 -17.535 1.784 1.00 0.00 C ATOM 103 O ALA A 3 -8.540 -18.568 2.195 1.00 0.00 O ATOM 104 CB ALA A 3 -10.122 -17.156 0.417 1.00 0.00 C ATOM 0 H ALA A 3 -7.835 -15.865 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.751 -15.667 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.711 -17.112 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.571 -16.507 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.103 -18.181 0.047 1.00 0.00 H new ATOM 110 N LYS A 4 -6.850 -17.065 2.213 1.00 0.00 N ATOM 111 CA LYS A 4 -6.091 -17.763 3.237 1.00 0.00 C ATOM 112 C LYS A 4 -5.809 -16.807 4.397 1.00 0.00 C ATOM 113 O LYS A 4 -4.664 -16.667 4.826 1.00 0.00 O ATOM 114 CB LYS A 4 -4.832 -18.390 2.636 1.00 0.00 C ATOM 115 CG LYS A 4 -4.995 -19.903 2.476 1.00 0.00 C ATOM 116 CD LYS A 4 -4.909 -20.610 3.830 1.00 0.00 C ATOM 117 CE LYS A 4 -6.118 -21.520 4.051 1.00 0.00 C ATOM 118 NZ LYS A 4 -7.252 -20.749 4.610 1.00 0.00 N ATOM 0 H LYS A 4 -6.415 -16.209 1.870 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.670 -18.593 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.624 -17.939 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.975 -18.179 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.955 -20.121 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.221 -20.287 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.993 -21.198 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.856 -19.870 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.413 -21.979 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.852 -22.330 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.881 -21.389 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.890 -20.014 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.783 -20.302 3.836 1.00 0.00 H new ATOM 132 N LYS A 5 -6.871 -16.174 4.873 1.00 0.00 N ATOM 133 CA LYS A 5 -6.752 -15.236 5.976 1.00 0.00 C ATOM 134 C LYS A 5 -6.169 -13.919 5.458 1.00 0.00 C ATOM 135 O LYS A 5 -5.117 -13.478 5.917 1.00 0.00 O ATOM 136 CB LYS A 5 -5.948 -15.855 7.122 1.00 0.00 C ATOM 137 CG LYS A 5 -6.589 -15.537 8.474 1.00 0.00 C ATOM 138 CD LYS A 5 -7.644 -16.583 8.840 1.00 0.00 C ATOM 139 CE LYS A 5 -6.990 -17.922 9.191 1.00 0.00 C ATOM 140 NZ LYS A 5 -6.936 -18.104 10.659 1.00 0.00 N ATOM 0 H LYS A 5 -7.819 -16.292 4.515 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.734 -15.010 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.889 -16.935 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.926 -15.475 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.820 -15.505 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.048 -14.549 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.234 -16.229 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.332 -16.718 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.553 -18.738 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.983 -17.961 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.490 -19.017 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.380 -17.335 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.901 -18.088 11.047 1.00 0.00 H new ATOM 154 N GLY A 6 -6.880 -13.328 4.509 1.00 0.00 N ATOM 155 CA GLY A 6 -6.447 -12.070 3.924 1.00 0.00 C ATOM 156 C GLY A 6 -7.205 -10.891 4.536 1.00 0.00 C ATOM 157 O GLY A 6 -6.598 -9.902 4.944 1.00 0.00 O ATOM 0 H GLY A 6 -7.753 -13.697 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.376 -11.940 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.609 -12.091 2.846 1.00 0.00 H new ATOM 161 N ALA A 7 -8.522 -11.034 4.581 1.00 0.00 N ATOM 162 CA ALA A 7 -9.369 -9.993 5.137 1.00 0.00 C ATOM 163 C ALA A 7 -9.016 -9.786 6.611 1.00 0.00 C ATOM 164 O ALA A 7 -8.588 -8.702 7.005 1.00 0.00 O ATOM 165 CB ALA A 7 -10.839 -10.369 4.937 1.00 0.00 C ATOM 0 H ALA A 7 -9.023 -11.855 4.241 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.201 -9.047 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.474 -9.588 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.046 -10.475 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.045 -11.313 5.442 1.00 0.00 H new ATOM 171 N THR A 8 -9.208 -10.843 7.386 1.00 0.00 N ATOM 172 CA THR A 8 -8.914 -10.791 8.809 1.00 0.00 C ATOM 173 C THR A 8 -7.583 -10.078 9.053 1.00 0.00 C ATOM 174 O THR A 8 -7.380 -9.478 10.107 1.00 0.00 O ATOM 175 CB THR A 8 -8.946 -12.222 9.350 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.102 -12.253 10.183 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.789 -12.511 10.309 1.00 0.00 C ATOM 0 H THR A 8 -9.563 -11.740 7.056 1.00 0.00 H new ATOM 0 HA THR A 8 -9.662 -10.208 9.347 1.00 0.00 H new ATOM 0 HB THR A 8 -8.913 -12.925 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.200 -13.146 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.859 -13.539 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.841 -12.370 9.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.842 -11.830 11.158 1.00 0.00 H new ATOM 185 N LEU A 9 -6.710 -10.168 8.061 1.00 0.00 N ATOM 186 CA LEU A 9 -5.403 -9.539 8.155 1.00 0.00 C ATOM 187 C LEU A 9 -5.533 -8.051 7.819 1.00 0.00 C ATOM 188 O LEU A 9 -5.519 -7.206 8.713 1.00 0.00 O ATOM 189 CB LEU A 9 -4.388 -10.279 7.282 1.00 0.00 C ATOM 190 CG LEU A 9 -2.959 -10.344 7.825 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.328 -11.710 7.546 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.110 -9.197 7.273 1.00 0.00 C ATOM 0 H LEU A 9 -6.882 -10.667 7.188 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.021 -9.605 9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.744 -11.298 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.362 -9.800 6.303 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.999 -10.223 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.313 -11.730 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.920 -12.489 8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.301 -11.886 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.099 -9.267 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.074 -9.262 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.552 -8.244 7.565 1.00 0.00 H new ATOM 204 N PHE A 10 -5.656 -7.777 6.529 1.00 0.00 N ATOM 205 CA PHE A 10 -5.788 -6.407 6.064 1.00 0.00 C ATOM 206 C PHE A 10 -6.684 -5.594 7.001 1.00 0.00 C ATOM 207 O PHE A 10 -6.288 -4.532 7.478 1.00 0.00 O ATOM 208 CB PHE A 10 -6.437 -6.464 4.680 1.00 0.00 C ATOM 209 CG PHE A 10 -6.636 -5.094 4.029 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.558 -4.324 3.721 1.00 0.00 C ATOM 211 CD2 PHE A 10 -7.891 -4.646 3.758 1.00 0.00 C ATOM 212 CE1 PHE A 10 -5.743 -3.053 3.116 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.076 -3.375 3.153 1.00 0.00 C ATOM 214 CZ PHE A 10 -6.998 -2.605 2.845 1.00 0.00 C ATOM 0 H PHE A 10 -5.667 -8.481 5.791 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.809 -5.929 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.820 -7.080 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.405 -6.959 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.561 -4.679 3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.747 -5.257 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.887 -2.442 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.073 -3.020 2.937 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.139 -1.638 2.385 1.00 0.00 H new ATOM 224 N LYS A 11 -7.875 -6.125 7.237 1.00 0.00 N ATOM 225 CA LYS A 11 -8.830 -5.462 8.108 1.00 0.00 C ATOM 226 C LYS A 11 -8.091 -4.866 9.308 1.00 0.00 C ATOM 227 O LYS A 11 -8.515 -3.852 9.861 1.00 0.00 O ATOM 228 CB LYS A 11 -9.958 -6.421 8.495 1.00 0.00 C ATOM 229 CG LYS A 11 -10.910 -5.771 9.501 1.00 0.00 C ATOM 230 CD LYS A 11 -12.295 -5.558 8.886 1.00 0.00 C ATOM 231 CE LYS A 11 -13.157 -4.660 9.776 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.691 -3.520 8.998 1.00 0.00 N ATOM 0 H LYS A 11 -8.200 -7.007 6.840 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.311 -4.635 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.511 -6.716 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.536 -7.330 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.994 -6.401 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.502 -4.814 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.193 -5.108 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.788 -6.520 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.980 -5.238 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.565 -4.291 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.254 -2.637 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.474 -3.655 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.722 -3.465 9.125 1.00 0.00 H new ATOM 246 N THR A 12 -7.000 -5.520 9.675 1.00 0.00 N ATOM 247 CA THR A 12 -6.198 -5.067 10.799 1.00 0.00 C ATOM 248 C THR A 12 -4.757 -4.807 10.356 1.00 0.00 C ATOM 249 O THR A 12 -4.122 -5.673 9.756 1.00 0.00 O ATOM 250 CB THR A 12 -6.313 -6.111 11.912 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.110 -5.472 12.906 1.00 0.00 O ATOM 252 CG2 THR A 12 -4.977 -6.367 12.614 1.00 0.00 C ATOM 0 H THR A 12 -6.652 -6.361 9.214 1.00 0.00 H new ATOM 0 HA THR A 12 -6.562 -4.115 11.187 1.00 0.00 H new ATOM 0 HB THR A 12 -6.690 -7.045 11.496 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.236 -6.080 13.664 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.114 -7.115 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.248 -6.728 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.616 -5.440 13.059 1.00 0.00 H new ATOM 260 N ARG A 13 -4.282 -3.611 10.669 1.00 0.00 N ATOM 261 CA ARG A 13 -2.928 -3.226 10.311 1.00 0.00 C ATOM 262 C ARG A 13 -2.908 -2.585 8.922 1.00 0.00 C ATOM 263 O ARG A 13 -1.860 -2.515 8.281 1.00 0.00 O ATOM 264 CB ARG A 13 -1.991 -4.435 10.320 1.00 0.00 C ATOM 265 CG ARG A 13 -2.173 -5.260 11.596 1.00 0.00 C ATOM 266 CD ARG A 13 -1.024 -5.015 12.576 1.00 0.00 C ATOM 267 NE ARG A 13 -0.549 -6.303 13.131 1.00 0.00 N ATOM 268 CZ ARG A 13 0.659 -6.484 13.680 1.00 0.00 C ATOM 269 NH1 ARG A 13 1.523 -5.462 13.751 1.00 0.00 N ATOM 270 NH2 ARG A 13 1.005 -7.687 14.158 1.00 0.00 N ATOM 0 H ARG A 13 -4.811 -2.895 11.167 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.581 -2.506 11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.188 -5.059 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.957 -4.099 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.120 -5.001 12.069 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.221 -6.319 11.344 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.205 -4.504 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.356 -4.362 13.383 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.181 -7.102 13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.261 -4.546 13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.443 -5.600 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.348 -8.465 14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.925 -7.824 14.576 1.00 0.00 H new ATOM 284 N CYS A 14 -4.079 -2.132 8.497 1.00 0.00 N ATOM 285 CA CYS A 14 -4.209 -1.499 7.196 1.00 0.00 C ATOM 286 C CYS A 14 -5.427 -0.574 7.231 1.00 0.00 C ATOM 287 O CYS A 14 -5.291 0.643 7.113 1.00 0.00 O ATOM 288 CB CYS A 14 -4.310 -2.532 6.072 1.00 0.00 C ATOM 289 SG CYS A 14 -2.899 -3.693 5.968 1.00 0.00 S ATOM 0 H CYS A 14 -4.946 -2.191 9.031 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.315 -0.913 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.226 -3.107 6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.401 -2.006 5.121 1.00 0.00 H new ATOM 294 N LEU A 15 -6.591 -1.186 7.396 1.00 0.00 N ATOM 295 CA LEU A 15 -7.832 -0.432 7.448 1.00 0.00 C ATOM 296 C LEU A 15 -7.635 0.806 8.325 1.00 0.00 C ATOM 297 O LEU A 15 -8.171 1.873 8.028 1.00 0.00 O ATOM 298 CB LEU A 15 -8.985 -1.330 7.903 1.00 0.00 C ATOM 299 CG LEU A 15 -10.054 -1.633 6.851 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.442 -2.325 5.631 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.202 -2.445 7.454 1.00 0.00 C ATOM 0 H LEU A 15 -6.701 -2.195 7.495 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.105 -0.079 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.568 -2.275 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.469 -0.860 8.759 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.474 -0.687 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.223 -2.529 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.687 -1.677 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.979 -3.263 5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.948 -2.647 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.816 -3.388 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.661 -1.880 8.265 1.00 0.00 H new ATOM 313 N GLN A 16 -6.863 0.624 9.386 1.00 0.00 N ATOM 314 CA GLN A 16 -6.588 1.714 10.307 1.00 0.00 C ATOM 315 C GLN A 16 -6.229 2.985 9.534 1.00 0.00 C ATOM 316 O GLN A 16 -6.410 4.093 10.036 1.00 0.00 O ATOM 317 CB GLN A 16 -5.476 1.336 11.287 1.00 0.00 C ATOM 318 CG GLN A 16 -4.110 1.347 10.598 1.00 0.00 C ATOM 319 CD GLN A 16 -2.986 1.090 11.604 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.752 1.857 12.523 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.305 -0.030 11.379 1.00 0.00 N ATOM 0 H GLN A 16 -6.419 -0.262 9.629 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.489 1.908 10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.471 2.035 12.124 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.671 0.346 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.086 0.586 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.953 2.309 10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.553 -0.628 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.535 -0.291 11.995 1.00 0.00 H new ATOM 330 N CYS A 17 -5.726 2.781 8.325 1.00 0.00 N ATOM 331 CA CYS A 17 -5.340 3.897 7.478 1.00 0.00 C ATOM 332 C CYS A 17 -6.203 3.863 6.216 1.00 0.00 C ATOM 333 O CYS A 17 -6.974 4.743 5.821 1.00 0.00 O ATOM 334 CB CYS A 17 -3.846 3.867 7.150 1.00 0.00 C ATOM 335 SG CYS A 17 -2.739 4.109 8.587 1.00 0.00 S ATOM 0 H CYS A 17 -5.577 1.860 7.912 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.510 4.835 8.007 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.610 2.910 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.635 4.641 6.412 1.00 0.00 H new ATOM 340 N HIS A 18 -6.085 2.713 5.459 1.00 0.00 N ATOM 341 CA HIS A 18 -6.529 2.614 4.055 1.00 0.00 C ATOM 342 C HIS A 18 -7.873 1.930 3.849 1.00 0.00 C ATOM 343 O HIS A 18 -8.323 1.048 4.580 1.00 0.00 O ATOM 344 CB HIS A 18 -5.558 1.742 3.247 1.00 0.00 C ATOM 345 CG HIS A 18 -4.117 2.136 3.057 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.708 2.979 2.087 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.981 1.712 3.719 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.468 3.116 2.162 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.925 2.324 3.135 1.00 0.00 N ATOM 0 H HIS A 18 -5.681 1.849 5.820 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.584 3.655 3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.558 0.755 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.989 1.627 2.252 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.313 3.432 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.943 1.021 4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.894 3.781 1.533 1.00 0.00 H new ATOM 357 N THR A 19 -8.498 2.417 2.788 1.00 0.00 N ATOM 358 CA THR A 19 -9.809 1.924 2.400 1.00 0.00 C ATOM 359 C THR A 19 -9.790 1.444 0.948 1.00 0.00 C ATOM 360 O THR A 19 -9.425 2.197 0.046 1.00 0.00 O ATOM 361 CB THR A 19 -10.828 3.035 2.660 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.635 3.943 1.578 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.491 3.860 3.903 1.00 0.00 C ATOM 0 H THR A 19 -8.121 3.148 2.184 1.00 0.00 H new ATOM 0 HA THR A 19 -10.096 1.055 2.992 1.00 0.00 H new ATOM 0 HB THR A 19 -11.820 2.598 2.773 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.910 4.565 1.798 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.246 4.634 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.474 3.210 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.513 4.325 3.777 1.00 0.00 H new ATOM 371 N VAL A 20 -10.189 0.193 0.766 1.00 0.00 N ATOM 372 CA VAL A 20 -10.222 -0.396 -0.562 1.00 0.00 C ATOM 373 C VAL A 20 -11.552 -0.050 -1.236 1.00 0.00 C ATOM 374 O VAL A 20 -11.746 -0.335 -2.416 1.00 0.00 O ATOM 375 CB VAL A 20 -9.972 -1.903 -0.472 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.254 -2.650 -0.099 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.385 -2.440 -1.779 1.00 0.00 C ATOM 0 H VAL A 20 -10.492 -0.428 1.516 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.426 0.016 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.242 -2.075 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.049 -3.719 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.613 -2.297 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.015 -2.467 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.217 -3.513 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.081 -2.249 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.438 -1.940 -1.985 1.00 0.00 H new ATOM 387 N GLU A 21 -12.432 0.560 -0.456 1.00 0.00 N ATOM 388 CA GLU A 21 -13.738 0.948 -0.962 1.00 0.00 C ATOM 389 C GLU A 21 -13.622 2.215 -1.812 1.00 0.00 C ATOM 390 O GLU A 21 -12.684 2.994 -1.649 1.00 0.00 O ATOM 391 CB GLU A 21 -14.733 1.145 0.183 1.00 0.00 C ATOM 392 CG GLU A 21 -14.391 0.241 1.369 1.00 0.00 C ATOM 393 CD GLU A 21 -15.628 -0.028 2.228 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.382 0.943 2.457 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.792 -1.198 2.636 1.00 0.00 O ATOM 0 H GLU A 21 -12.267 0.795 0.523 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.116 0.144 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.724 2.187 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.742 0.927 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.984 -0.703 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.617 0.710 1.977 1.00 0.00 H new ATOM 402 N LYS A 22 -14.590 2.383 -2.702 1.00 0.00 N ATOM 403 CA LYS A 22 -14.608 3.542 -3.578 1.00 0.00 C ATOM 404 C LYS A 22 -14.964 4.787 -2.762 1.00 0.00 C ATOM 405 O LYS A 22 -15.195 4.699 -1.557 1.00 0.00 O ATOM 406 CB LYS A 22 -15.539 3.300 -4.768 1.00 0.00 C ATOM 407 CG LYS A 22 -15.008 3.985 -6.028 1.00 0.00 C ATOM 408 CD LYS A 22 -15.347 3.172 -7.279 1.00 0.00 C ATOM 409 CE LYS A 22 -14.655 1.807 -7.249 1.00 0.00 C ATOM 410 NZ LYS A 22 -13.619 1.728 -8.302 1.00 0.00 N ATOM 0 H LYS A 22 -15.367 1.736 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.620 3.712 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.637 2.229 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.535 3.677 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.437 4.983 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.928 4.108 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.426 3.035 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.038 3.721 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.201 1.644 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.391 1.016 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.388 0.731 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.976 2.169 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.764 2.228 -7.986 1.00 0.00 H new ATOM 424 N GLY A 23 -14.997 5.917 -3.452 1.00 0.00 N ATOM 425 CA GLY A 23 -15.321 7.178 -2.807 1.00 0.00 C ATOM 426 C GLY A 23 -14.556 7.333 -1.490 1.00 0.00 C ATOM 427 O GLY A 23 -15.162 7.488 -0.431 1.00 0.00 O ATOM 0 H GLY A 23 -14.805 5.986 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.076 8.005 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.393 7.229 -2.617 1.00 0.00 H new ATOM 431 N GLY A 24 -13.236 7.286 -1.601 1.00 0.00 N ATOM 432 CA GLY A 24 -12.383 7.418 -0.432 1.00 0.00 C ATOM 433 C GLY A 24 -11.923 8.866 -0.251 1.00 0.00 C ATOM 434 O GLY A 24 -11.251 9.422 -1.118 1.00 0.00 O ATOM 0 H GLY A 24 -12.737 7.158 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.923 7.090 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.515 6.767 -0.535 1.00 0.00 H new ATOM 438 N PRO A 25 -12.315 9.452 0.913 1.00 0.00 N ATOM 439 CA PRO A 25 -11.950 10.825 1.220 1.00 0.00 C ATOM 440 C PRO A 25 -10.478 10.924 1.624 1.00 0.00 C ATOM 441 O PRO A 25 -9.966 12.018 1.854 1.00 0.00 O ATOM 442 CB PRO A 25 -12.901 11.246 2.328 1.00 0.00 C ATOM 443 CG PRO A 25 -13.447 9.957 2.920 1.00 0.00 C ATOM 444 CD PRO A 25 -13.111 8.825 1.964 1.00 0.00 C ATOM 0 HA PRO A 25 -12.044 11.488 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.383 11.835 3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.706 11.868 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.008 9.771 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.525 10.029 3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.552 8.035 2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.014 8.368 1.558 1.00 0.00 H new ATOM 452 N HIS A 26 -9.839 9.766 1.699 1.00 0.00 N ATOM 453 CA HIS A 26 -8.435 9.708 2.072 1.00 0.00 C ATOM 454 C HIS A 26 -8.289 10.010 3.565 1.00 0.00 C ATOM 455 O HIS A 26 -8.765 11.038 4.044 1.00 0.00 O ATOM 456 CB HIS A 26 -7.601 10.642 1.194 1.00 0.00 C ATOM 457 CG HIS A 26 -7.757 10.394 -0.288 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.838 9.123 -0.831 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.846 11.266 -1.333 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.969 9.237 -2.144 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.973 10.566 -2.454 1.00 0.00 N ATOM 0 H HIS A 26 -10.267 8.860 1.508 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.050 8.703 1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.880 11.673 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.550 10.533 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.818 12.343 -1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.057 8.421 -2.846 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.059 10.957 -3.392 1.00 0.00 H new ATOM 469 N LYS A 27 -7.627 9.095 4.258 1.00 0.00 N ATOM 470 CA LYS A 27 -7.411 9.250 5.687 1.00 0.00 C ATOM 471 C LYS A 27 -5.910 9.346 5.964 1.00 0.00 C ATOM 472 O LYS A 27 -5.307 10.403 5.779 1.00 0.00 O ATOM 473 CB LYS A 27 -8.108 8.128 6.459 1.00 0.00 C ATOM 474 CG LYS A 27 -9.533 8.531 6.846 1.00 0.00 C ATOM 475 CD LYS A 27 -10.564 7.771 6.010 1.00 0.00 C ATOM 476 CE LYS A 27 -11.455 6.901 6.899 1.00 0.00 C ATOM 477 NZ LYS A 27 -10.714 5.708 7.366 1.00 0.00 N ATOM 0 H LYS A 27 -7.233 8.244 3.857 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.861 10.177 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.135 7.225 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.537 7.890 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.697 8.328 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.663 9.604 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.179 8.478 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.054 7.146 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.801 7.480 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.341 6.592 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.333 5.128 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.406 5.148 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.882 6.008 7.913 1.00 0.00 H new ATOM 491 N VAL A 28 -5.348 8.229 6.403 1.00 0.00 N ATOM 492 CA VAL A 28 -3.929 8.175 6.707 1.00 0.00 C ATOM 493 C VAL A 28 -3.152 7.828 5.435 1.00 0.00 C ATOM 494 O VAL A 28 -2.037 8.307 5.235 1.00 0.00 O ATOM 495 CB VAL A 28 -3.676 7.188 7.849 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.177 7.015 8.102 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.400 7.627 9.123 1.00 0.00 C ATOM 0 H VAL A 28 -5.850 7.354 6.555 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.575 9.147 7.050 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.079 6.220 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.025 6.309 8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.697 6.636 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.740 7.977 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.204 6.909 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.041 8.611 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.472 7.675 8.934 1.00 0.00 H new ATOM 507 N GLY A 29 -3.772 6.999 4.609 1.00 0.00 N ATOM 508 CA GLY A 29 -3.152 6.583 3.362 1.00 0.00 C ATOM 509 C GLY A 29 -4.126 6.731 2.190 1.00 0.00 C ATOM 510 O GLY A 29 -5.335 6.827 2.392 1.00 0.00 O ATOM 0 H GLY A 29 -4.697 6.604 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.261 7.183 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.827 5.545 3.441 1.00 0.00 H new ATOM 514 N PRO A 30 -3.546 6.744 0.960 1.00 0.00 N ATOM 515 CA PRO A 30 -4.349 6.877 -0.244 1.00 0.00 C ATOM 516 C PRO A 30 -5.079 5.572 -0.564 1.00 0.00 C ATOM 517 O PRO A 30 -4.485 4.496 -0.515 1.00 0.00 O ATOM 518 CB PRO A 30 -3.366 7.289 -1.328 1.00 0.00 C ATOM 519 CG PRO A 30 -1.988 6.920 -0.803 1.00 0.00 C ATOM 520 CD PRO A 30 -2.117 6.632 0.683 1.00 0.00 C ATOM 0 HA PRO A 30 -5.142 7.618 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.578 6.773 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.433 8.358 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.600 6.047 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.284 7.734 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.743 5.638 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.542 7.343 1.276 1.00 0.00 H new ATOM 528 N ASN A 31 -6.358 5.709 -0.884 1.00 0.00 N ATOM 529 CA ASN A 31 -7.175 4.554 -1.211 1.00 0.00 C ATOM 530 C ASN A 31 -6.424 3.668 -2.207 1.00 0.00 C ATOM 531 O ASN A 31 -6.100 4.105 -3.311 1.00 0.00 O ATOM 532 CB ASN A 31 -8.495 4.979 -1.859 1.00 0.00 C ATOM 533 CG ASN A 31 -9.617 5.050 -0.821 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.615 5.875 0.078 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.573 4.142 -0.995 1.00 0.00 N ATOM 0 H ASN A 31 -6.848 6.603 -0.924 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.383 4.016 -0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.374 5.952 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.764 4.271 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.366 4.107 -0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.513 3.480 -1.769 1.00 0.00 H new ATOM 542 N LEU A 32 -6.168 2.440 -1.782 1.00 0.00 N ATOM 543 CA LEU A 32 -5.461 1.489 -2.623 1.00 0.00 C ATOM 544 C LEU A 32 -6.333 1.134 -3.829 1.00 0.00 C ATOM 545 O LEU A 32 -5.864 1.155 -4.966 1.00 0.00 O ATOM 546 CB LEU A 32 -5.020 0.274 -1.804 1.00 0.00 C ATOM 547 CG LEU A 32 -4.048 0.556 -0.656 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.442 -0.742 -0.119 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.973 1.558 -1.081 1.00 0.00 C ATOM 0 H LEU A 32 -6.437 2.081 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.544 1.932 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.909 -0.204 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.555 -0.445 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.608 1.012 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.755 -0.513 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.238 -1.390 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.901 -1.249 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.296 1.741 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.411 1.154 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.445 2.495 -1.377 1.00 0.00 H new ATOM 561 N HIS A 33 -7.586 0.816 -3.540 1.00 0.00 N ATOM 562 CA HIS A 33 -8.528 0.457 -4.586 1.00 0.00 C ATOM 563 C HIS A 33 -8.277 1.323 -5.822 1.00 0.00 C ATOM 564 O HIS A 33 -8.686 2.483 -5.865 1.00 0.00 O ATOM 565 CB HIS A 33 -9.968 0.552 -4.078 1.00 0.00 C ATOM 566 CG HIS A 33 -10.804 1.587 -4.792 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.840 2.916 -4.410 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.634 1.473 -5.869 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.658 3.564 -5.226 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.150 2.668 -6.129 1.00 0.00 N ATOM 0 H HIS A 33 -7.971 0.799 -2.596 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.375 -0.583 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.445 -0.422 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.952 0.784 -3.013 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.324 3.327 -3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.837 0.565 -6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.894 4.617 -5.184 1.00 0.00 H new ATOM 578 N GLY A 34 -7.606 0.727 -6.797 1.00 0.00 N ATOM 579 CA GLY A 34 -7.296 1.430 -8.030 1.00 0.00 C ATOM 580 C GLY A 34 -5.827 1.240 -8.415 1.00 0.00 C ATOM 581 O GLY A 34 -5.458 1.418 -9.575 1.00 0.00 O ATOM 0 H GLY A 34 -7.269 -0.235 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.936 1.064 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.510 2.492 -7.911 1.00 0.00 H new ATOM 585 N ILE A 35 -5.030 0.879 -7.421 1.00 0.00 N ATOM 586 CA ILE A 35 -3.610 0.662 -7.641 1.00 0.00 C ATOM 587 C ILE A 35 -3.420 -0.552 -8.553 1.00 0.00 C ATOM 588 O ILE A 35 -4.372 -1.022 -9.173 1.00 0.00 O ATOM 589 CB ILE A 35 -2.872 0.549 -6.306 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.414 -0.617 -5.476 1.00 0.00 C ATOM 591 CG2 ILE A 35 -2.922 1.871 -5.538 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.704 -1.923 -5.836 1.00 0.00 C ATOM 0 H ILE A 35 -5.340 0.731 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.168 1.518 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.823 0.336 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.279 -0.406 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.485 -0.722 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.390 1.763 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.452 2.655 -6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.960 2.139 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.108 -2.735 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.861 -2.143 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.636 -1.822 -5.641 1.00 0.00 H new ATOM 604 N PHE A 36 -2.183 -1.024 -8.606 1.00 0.00 N ATOM 605 CA PHE A 36 -1.855 -2.173 -9.432 1.00 0.00 C ATOM 606 C PHE A 36 -2.213 -1.916 -10.897 1.00 0.00 C ATOM 607 O PHE A 36 -3.389 -1.895 -11.258 1.00 0.00 O ATOM 608 CB PHE A 36 -2.688 -3.348 -8.915 1.00 0.00 C ATOM 609 CG PHE A 36 -2.018 -4.137 -7.788 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.696 -4.445 -7.866 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.746 -4.531 -6.709 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.075 -5.177 -6.820 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.124 -5.263 -5.663 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.802 -5.571 -5.741 1.00 0.00 C ATOM 0 H PHE A 36 -1.396 -0.631 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.786 -2.377 -9.378 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.648 -2.972 -8.561 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.897 -4.024 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.118 -4.133 -8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.796 -4.287 -6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.975 -5.421 -6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.701 -5.575 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.330 -6.129 -4.946 1.00 0.00 H new ATOM 624 N GLY A 37 -1.178 -1.726 -11.702 1.00 0.00 N ATOM 625 CA GLY A 37 -1.368 -1.471 -13.120 1.00 0.00 C ATOM 626 C GLY A 37 -0.727 -0.143 -13.529 1.00 0.00 C ATOM 627 O GLY A 37 -0.857 0.287 -14.674 1.00 0.00 O ATOM 0 H GLY A 37 -0.204 -1.744 -11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.932 -2.284 -13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.433 -1.451 -13.350 1.00 0.00 H new ATOM 631 N ARG A 38 -0.049 0.470 -12.570 1.00 0.00 N ATOM 632 CA ARG A 38 0.613 1.740 -12.816 1.00 0.00 C ATOM 633 C ARG A 38 1.848 1.877 -11.923 1.00 0.00 C ATOM 634 O ARG A 38 2.278 0.908 -11.300 1.00 0.00 O ATOM 635 CB ARG A 38 -0.332 2.914 -12.551 1.00 0.00 C ATOM 636 CG ARG A 38 -1.580 2.822 -13.432 1.00 0.00 C ATOM 637 CD ARG A 38 -1.231 3.048 -14.904 1.00 0.00 C ATOM 638 NE ARG A 38 -2.424 2.820 -15.749 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.375 2.503 -17.050 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.191 2.375 -17.663 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.509 2.315 -17.737 1.00 0.00 N ATOM 0 H ARG A 38 0.056 0.111 -11.621 1.00 0.00 H new ATOM 0 HA ARG A 38 0.914 1.759 -13.863 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.623 2.921 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.186 3.853 -12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.043 1.843 -13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.312 3.563 -13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.863 4.064 -15.047 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.429 2.373 -15.204 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.342 2.910 -15.314 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.327 2.519 -17.139 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.153 2.134 -18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.410 2.413 -17.270 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.471 2.074 -18.727 1.00 0.00 H new ATOM 655 N HIS A 39 2.382 3.089 -11.889 1.00 0.00 N ATOM 656 CA HIS A 39 3.559 3.365 -11.082 1.00 0.00 C ATOM 657 C HIS A 39 3.141 4.066 -9.788 1.00 0.00 C ATOM 658 O HIS A 39 1.972 4.403 -9.610 1.00 0.00 O ATOM 659 CB HIS A 39 4.591 4.163 -11.882 1.00 0.00 C ATOM 660 CG HIS A 39 5.687 3.318 -12.485 1.00 0.00 C ATOM 661 ND1 HIS A 39 6.021 3.370 -13.827 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.522 2.402 -11.916 1.00 0.00 C ATOM 663 CE1 HIS A 39 7.013 2.518 -14.045 1.00 0.00 C ATOM 664 NE2 HIS A 39 7.321 1.919 -12.859 1.00 0.00 N ATOM 0 H HIS A 39 2.022 3.891 -12.407 1.00 0.00 H new ATOM 0 HA HIS A 39 4.044 2.428 -10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.080 4.701 -12.681 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.041 4.912 -11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.531 2.118 -10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.493 2.331 -14.994 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.046 1.215 -12.720 1.00 0.00 H new ATOM 672 N SER A 40 4.120 4.265 -8.918 1.00 0.00 N ATOM 673 CA SER A 40 3.869 4.920 -7.645 1.00 0.00 C ATOM 674 C SER A 40 3.081 6.212 -7.869 1.00 0.00 C ATOM 675 O SER A 40 3.437 7.020 -8.725 1.00 0.00 O ATOM 676 CB SER A 40 5.177 5.216 -6.910 1.00 0.00 C ATOM 677 OG SER A 40 5.896 6.289 -7.512 1.00 0.00 O ATOM 0 H SER A 40 5.089 3.984 -9.069 1.00 0.00 H new ATOM 0 HA SER A 40 3.280 4.246 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.961 5.462 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.799 4.321 -6.903 1.00 0.00 H new ATOM 0 HG SER A 40 6.251 6.000 -8.378 1.00 0.00 H new ATOM 683 N GLY A 41 2.025 6.368 -7.083 1.00 0.00 N ATOM 684 CA GLY A 41 1.184 7.548 -7.184 1.00 0.00 C ATOM 685 C GLY A 41 -0.020 7.288 -8.091 1.00 0.00 C ATOM 686 O GLY A 41 -0.029 7.699 -9.250 1.00 0.00 O ATOM 0 H GLY A 41 1.733 5.696 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.840 7.839 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.766 8.381 -7.577 1.00 0.00 H new ATOM 690 N GLN A 42 -1.007 6.605 -7.529 1.00 0.00 N ATOM 691 CA GLN A 42 -2.213 6.285 -8.273 1.00 0.00 C ATOM 692 C GLN A 42 -3.405 7.064 -7.712 1.00 0.00 C ATOM 693 O GLN A 42 -4.553 6.656 -7.881 1.00 0.00 O ATOM 694 CB GLN A 42 -2.485 4.779 -8.254 1.00 0.00 C ATOM 695 CG GLN A 42 -1.644 4.057 -9.309 1.00 0.00 C ATOM 696 CD GLN A 42 -2.428 2.905 -9.941 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.543 3.062 -10.409 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.784 1.741 -9.926 1.00 0.00 N ATOM 0 H GLN A 42 -0.996 6.265 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.066 6.582 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.259 4.377 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.543 4.595 -8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.341 4.762 -10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.732 3.673 -8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.851 1.679 -9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.223 0.910 -10.323 1.00 0.00 H new ATOM 707 N ALA A 43 -3.091 8.172 -7.057 1.00 0.00 N ATOM 708 CA ALA A 43 -4.122 9.012 -6.471 1.00 0.00 C ATOM 709 C ALA A 43 -3.959 10.444 -6.984 1.00 0.00 C ATOM 710 O ALA A 43 -2.843 10.953 -7.071 1.00 0.00 O ATOM 711 CB ALA A 43 -4.043 8.927 -4.945 1.00 0.00 C ATOM 0 H ALA A 43 -2.138 8.508 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.113 8.667 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.816 9.557 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.193 7.894 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.063 9.269 -4.612 1.00 0.00 H new ATOM 717 N GLU A 44 -5.089 11.053 -7.310 1.00 0.00 N ATOM 718 CA GLU A 44 -5.086 12.417 -7.812 1.00 0.00 C ATOM 719 C GLU A 44 -5.785 13.349 -6.821 1.00 0.00 C ATOM 720 O GLU A 44 -5.709 14.570 -6.952 1.00 0.00 O ATOM 721 CB GLU A 44 -5.741 12.494 -9.193 1.00 0.00 C ATOM 722 CG GLU A 44 -4.692 12.408 -10.303 1.00 0.00 C ATOM 723 CD GLU A 44 -4.012 13.762 -10.521 1.00 0.00 C ATOM 724 OE1 GLU A 44 -4.676 14.642 -11.110 1.00 0.00 O ATOM 725 OE2 GLU A 44 -2.844 13.885 -10.094 1.00 0.00 O ATOM 0 H GLU A 44 -6.013 10.627 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.051 12.742 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.460 11.683 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.297 13.427 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.944 11.659 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.164 12.080 -11.229 1.00 0.00 H new ATOM 732 N GLY A 45 -6.451 12.738 -5.852 1.00 0.00 N ATOM 733 CA GLY A 45 -7.163 13.499 -4.839 1.00 0.00 C ATOM 734 C GLY A 45 -6.425 13.453 -3.499 1.00 0.00 C ATOM 735 O GLY A 45 -6.910 13.983 -2.501 1.00 0.00 O ATOM 0 H GLY A 45 -6.513 11.725 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.269 14.534 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.169 13.098 -4.718 1.00 0.00 H new ATOM 739 N TYR A 46 -5.264 12.815 -3.521 1.00 0.00 N ATOM 740 CA TYR A 46 -4.454 12.693 -2.321 1.00 0.00 C ATOM 741 C TYR A 46 -3.054 13.268 -2.544 1.00 0.00 C ATOM 742 O TYR A 46 -2.382 12.917 -3.513 1.00 0.00 O ATOM 743 CB TYR A 46 -4.338 11.194 -2.041 1.00 0.00 C ATOM 744 CG TYR A 46 -3.959 10.858 -0.597 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.853 11.446 -0.020 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.724 9.967 0.128 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.496 11.130 1.339 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.368 9.651 1.487 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.271 10.248 2.025 1.00 0.00 C ATOM 750 OH TYR A 46 -2.934 9.950 3.309 1.00 0.00 O ATOM 0 H TYR A 46 -4.865 12.377 -4.351 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.909 13.239 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.289 10.716 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.592 10.766 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.255 12.143 -0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.590 9.507 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.632 11.583 1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.958 8.956 2.066 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.722 10.045 3.884 1.00 0.00 H new ATOM 760 N SER A 47 -2.655 14.142 -1.631 1.00 0.00 N ATOM 761 CA SER A 47 -1.347 14.768 -1.716 1.00 0.00 C ATOM 762 C SER A 47 -0.262 13.771 -1.306 1.00 0.00 C ATOM 763 O SER A 47 -0.339 13.169 -0.237 1.00 0.00 O ATOM 764 CB SER A 47 -1.278 16.019 -0.838 1.00 0.00 C ATOM 765 OG SER A 47 -1.485 15.717 0.539 1.00 0.00 O ATOM 0 H SER A 47 -3.215 14.431 -0.829 1.00 0.00 H new ATOM 0 HA SER A 47 -1.179 15.072 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.306 16.496 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.029 16.736 -1.169 1.00 0.00 H new ATOM 0 HG SER A 47 -1.140 14.821 0.733 1.00 0.00 H new ATOM 771 N TYR A 48 0.725 13.628 -2.179 1.00 0.00 N ATOM 772 CA TYR A 48 1.825 12.714 -1.921 1.00 0.00 C ATOM 773 C TYR A 48 3.085 13.476 -1.504 1.00 0.00 C ATOM 774 O TYR A 48 3.038 14.685 -1.283 1.00 0.00 O ATOM 775 CB TYR A 48 2.094 11.994 -3.243 1.00 0.00 C ATOM 776 CG TYR A 48 1.261 10.726 -3.442 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.113 10.778 -3.322 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.883 9.531 -3.742 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.898 9.585 -3.509 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.098 8.338 -3.929 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.253 8.424 -3.804 1.00 0.00 C ATOM 782 OH TYR A 48 -0.994 7.297 -3.980 1.00 0.00 O ATOM 0 H TYR A 48 0.786 14.130 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 48 1.571 12.026 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.894 12.680 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.151 11.734 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.600 11.713 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.958 9.490 -3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.974 9.611 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.572 7.396 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.548 6.710 -4.626 1.00 0.00 H new ATOM 792 N THR A 49 4.180 12.737 -1.408 1.00 0.00 N ATOM 793 CA THR A 49 5.450 13.328 -1.021 1.00 0.00 C ATOM 794 C THR A 49 6.473 13.178 -2.149 1.00 0.00 C ATOM 795 O THR A 49 6.128 12.764 -3.254 1.00 0.00 O ATOM 796 CB THR A 49 5.893 12.679 0.291 1.00 0.00 C ATOM 797 OG1 THR A 49 6.311 11.371 -0.091 1.00 0.00 O ATOM 798 CG2 THR A 49 4.724 12.432 1.247 1.00 0.00 C ATOM 0 H THR A 49 4.214 11.734 -1.591 1.00 0.00 H new ATOM 0 HA THR A 49 5.353 14.401 -0.853 1.00 0.00 H new ATOM 0 HB THR A 49 6.632 13.315 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.616 10.881 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.094 11.970 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.244 13.381 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.000 11.769 0.773 1.00 0.00 H new ATOM 806 N ASP A 50 7.712 13.524 -1.830 1.00 0.00 N ATOM 807 CA ASP A 50 8.788 13.433 -2.803 1.00 0.00 C ATOM 808 C ASP A 50 9.635 12.195 -2.505 1.00 0.00 C ATOM 809 O ASP A 50 10.807 12.137 -2.874 1.00 0.00 O ATOM 810 CB ASP A 50 9.701 14.659 -2.730 1.00 0.00 C ATOM 811 CG ASP A 50 9.706 15.537 -3.983 1.00 0.00 C ATOM 812 OD1 ASP A 50 9.872 14.959 -5.080 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.543 16.765 -3.817 1.00 0.00 O ATOM 0 H ASP A 50 7.995 13.868 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 50 8.342 13.374 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.398 15.269 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.720 14.324 -2.536 1.00 0.00 H new ATOM 818 N ALA A 51 9.009 11.234 -1.841 1.00 0.00 N ATOM 819 CA ALA A 51 9.691 10.000 -1.490 1.00 0.00 C ATOM 820 C ALA A 51 9.040 8.833 -2.235 1.00 0.00 C ATOM 821 O ALA A 51 9.712 8.107 -2.966 1.00 0.00 O ATOM 822 CB ALA A 51 9.660 9.813 0.028 1.00 0.00 C ATOM 0 H ALA A 51 8.037 11.285 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 51 10.738 10.041 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.172 8.887 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.161 10.654 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.625 9.765 0.368 1.00 0.00 H new ATOM 828 N ASN A 52 7.740 8.689 -2.023 1.00 0.00 N ATOM 829 CA ASN A 52 6.991 7.622 -2.665 1.00 0.00 C ATOM 830 C ASN A 52 7.094 7.776 -4.184 1.00 0.00 C ATOM 831 O ASN A 52 7.803 7.015 -4.842 1.00 0.00 O ATOM 832 CB ASN A 52 5.511 7.682 -2.283 1.00 0.00 C ATOM 833 CG ASN A 52 4.706 6.624 -3.041 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.245 5.762 -3.716 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.389 6.737 -2.893 1.00 0.00 N ATOM 0 H ASN A 52 7.186 9.293 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 52 7.410 6.671 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.402 7.527 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.115 8.673 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.765 6.078 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.003 7.482 -2.313 1.00 0.00 H new ATOM 842 N ILE A 53 6.377 8.764 -4.697 1.00 0.00 N ATOM 843 CA ILE A 53 6.379 9.027 -6.126 1.00 0.00 C ATOM 844 C ILE A 53 7.797 8.848 -6.671 1.00 0.00 C ATOM 845 O ILE A 53 7.979 8.409 -7.806 1.00 0.00 O ATOM 846 CB ILE A 53 5.776 10.403 -6.419 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.248 10.352 -6.381 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.299 10.959 -7.745 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.657 11.746 -6.166 1.00 0.00 C ATOM 0 H ILE A 53 5.790 9.393 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 53 5.744 8.310 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 53 6.094 11.089 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.871 9.934 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.923 9.688 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.855 11.937 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.384 11.056 -7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.031 10.280 -8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.569 11.680 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.016 12.152 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.964 12.401 -6.981 1.00 0.00 H new ATOM 861 N LYS A 54 8.765 9.198 -5.838 1.00 0.00 N ATOM 862 CA LYS A 54 10.162 9.081 -6.222 1.00 0.00 C ATOM 863 C LYS A 54 10.656 7.667 -5.909 1.00 0.00 C ATOM 864 O LYS A 54 11.730 7.494 -5.335 1.00 0.00 O ATOM 865 CB LYS A 54 10.993 10.183 -5.562 1.00 0.00 C ATOM 866 CG LYS A 54 10.445 11.568 -5.913 1.00 0.00 C ATOM 867 CD LYS A 54 11.035 12.074 -7.231 1.00 0.00 C ATOM 868 CE LYS A 54 10.756 13.566 -7.420 1.00 0.00 C ATOM 869 NZ LYS A 54 11.280 14.030 -8.724 1.00 0.00 N ATOM 0 H LYS A 54 8.610 9.563 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 54 10.275 9.228 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.987 10.049 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.030 10.105 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.359 11.524 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.680 12.269 -5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.110 11.897 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.610 11.513 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.683 13.751 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.219 14.134 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.082 15.045 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.307 13.871 -8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.819 13.501 -9.492 1.00 0.00 H new ATOM 883 N LYS A 55 9.849 6.693 -6.300 1.00 0.00 N ATOM 884 CA LYS A 55 10.191 5.299 -6.069 1.00 0.00 C ATOM 885 C LYS A 55 10.046 4.519 -7.377 1.00 0.00 C ATOM 886 O LYS A 55 10.915 3.722 -7.727 1.00 0.00 O ATOM 887 CB LYS A 55 9.361 4.728 -4.917 1.00 0.00 C ATOM 888 CG LYS A 55 9.965 3.420 -4.402 1.00 0.00 C ATOM 889 CD LYS A 55 11.324 3.665 -3.745 1.00 0.00 C ATOM 890 CE LYS A 55 12.457 3.095 -4.601 1.00 0.00 C ATOM 891 NZ LYS A 55 13.677 2.905 -3.785 1.00 0.00 N ATOM 0 H LYS A 55 8.959 6.841 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 55 11.232 5.208 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.311 5.454 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.339 4.553 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.287 2.961 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.078 2.717 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.475 4.735 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.343 3.205 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.150 2.143 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.669 3.769 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.436 2.518 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.978 3.820 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.475 2.244 -3.008 1.00 0.00 H new ATOM 905 N ASN A 56 8.942 4.776 -8.063 1.00 0.00 N ATOM 906 CA ASN A 56 8.672 4.107 -9.324 1.00 0.00 C ATOM 907 C ASN A 56 8.274 2.655 -9.052 1.00 0.00 C ATOM 908 O ASN A 56 8.565 1.768 -9.853 1.00 0.00 O ATOM 909 CB ASN A 56 9.914 4.097 -10.219 1.00 0.00 C ATOM 910 CG ASN A 56 9.559 4.494 -11.653 1.00 0.00 C ATOM 911 OD1 ASN A 56 9.677 3.717 -12.587 1.00 0.00 O ATOM 912 ND2 ASN A 56 9.119 5.743 -11.776 1.00 0.00 N ATOM 0 H ASN A 56 8.224 5.438 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 56 7.869 4.646 -9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.659 4.786 -9.821 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.363 3.104 -10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.856 6.103 -12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.044 6.341 -10.953 1.00 0.00 H new ATOM 919 N VAL A 57 7.614 2.458 -7.920 1.00 0.00 N ATOM 920 CA VAL A 57 7.173 1.129 -7.533 1.00 0.00 C ATOM 921 C VAL A 57 5.954 0.737 -8.370 1.00 0.00 C ATOM 922 O VAL A 57 4.820 1.035 -7.999 1.00 0.00 O ATOM 923 CB VAL A 57 6.903 1.086 -6.027 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.009 2.250 -5.597 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.291 -0.256 -5.619 1.00 0.00 C ATOM 0 H VAL A 57 7.374 3.197 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 57 7.953 0.394 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 57 7.858 1.190 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.833 2.196 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.499 3.193 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.057 2.192 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.109 -0.261 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.349 -0.402 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.979 -1.062 -5.874 1.00 0.00 H new ATOM 935 N LEU A 58 6.230 0.075 -9.484 1.00 0.00 N ATOM 936 CA LEU A 58 5.170 -0.362 -10.378 1.00 0.00 C ATOM 937 C LEU A 58 4.299 -1.396 -9.662 1.00 0.00 C ATOM 938 O LEU A 58 4.662 -2.568 -9.580 1.00 0.00 O ATOM 939 CB LEU A 58 5.756 -0.860 -11.700 1.00 0.00 C ATOM 940 CG LEU A 58 4.769 -0.994 -12.862 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.725 0.290 -13.693 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.093 -2.220 -13.718 1.00 0.00 C ATOM 0 H LEU A 58 7.172 -0.170 -9.788 1.00 0.00 H new ATOM 0 HA LEU A 58 4.522 0.475 -10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.552 -0.179 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.217 -1.832 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 58 3.772 -1.145 -12.448 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.016 0.169 -14.512 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.411 1.121 -13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.716 0.496 -14.098 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.377 -2.292 -14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.100 -2.124 -14.124 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.033 -3.119 -13.104 1.00 0.00 H new ATOM 954 N TRP A 59 3.167 -0.924 -9.161 1.00 0.00 N ATOM 955 CA TRP A 59 2.241 -1.794 -8.455 1.00 0.00 C ATOM 956 C TRP A 59 1.780 -2.882 -9.426 1.00 0.00 C ATOM 957 O TRP A 59 1.115 -2.592 -10.419 1.00 0.00 O ATOM 958 CB TRP A 59 1.081 -0.993 -7.861 1.00 0.00 C ATOM 959 CG TRP A 59 1.520 0.222 -7.040 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.232 1.512 -7.258 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.341 0.207 -5.853 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.806 2.327 -6.303 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.502 1.508 -5.422 1.00 0.00 C ATOM 964 CE3 TRP A 59 2.930 -0.871 -5.168 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.248 1.853 -4.288 1.00 0.00 C ATOM 966 CZ3 TRP A 59 3.672 -0.509 -4.038 1.00 0.00 C ATOM 967 CH2 TRP A 59 3.844 0.796 -3.590 1.00 0.00 C ATOM 0 H TRP A 59 2.870 0.049 -9.230 1.00 0.00 H new ATOM 0 HA TRP A 59 2.731 -2.270 -7.606 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.433 -0.657 -8.670 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.485 -1.651 -7.228 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.627 1.870 -8.078 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.733 3.343 -6.253 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.819 -1.896 -5.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.358 2.879 -3.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.145 -1.299 -3.474 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.435 0.993 -2.708 1.00 0.00 H new ATOM 978 N ASP A 60 2.153 -4.113 -9.106 1.00 0.00 N ATOM 979 CA ASP A 60 1.786 -5.246 -9.938 1.00 0.00 C ATOM 980 C ASP A 60 1.333 -6.403 -9.045 1.00 0.00 C ATOM 981 O ASP A 60 0.163 -6.785 -9.064 1.00 0.00 O ATOM 982 CB ASP A 60 2.977 -5.729 -10.768 1.00 0.00 C ATOM 983 CG ASP A 60 2.618 -6.317 -12.134 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.333 -5.508 -13.043 1.00 0.00 O ATOM 985 OD2 ASP A 60 2.636 -7.563 -12.237 1.00 0.00 O ATOM 0 H ASP A 60 2.706 -4.350 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 60 0.986 -4.928 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.659 -4.892 -10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.518 -6.483 -10.196 1.00 0.00 H new ATOM 990 N GLU A 61 2.281 -6.928 -8.284 1.00 0.00 N ATOM 991 CA GLU A 61 1.994 -8.034 -7.386 1.00 0.00 C ATOM 992 C GLU A 61 3.232 -8.379 -6.556 1.00 0.00 C ATOM 993 O GLU A 61 3.308 -8.036 -5.377 1.00 0.00 O ATOM 994 CB GLU A 61 1.496 -9.255 -8.161 1.00 0.00 C ATOM 995 CG GLU A 61 1.048 -10.365 -7.208 1.00 0.00 C ATOM 996 CD GLU A 61 -0.444 -10.661 -7.374 1.00 0.00 C ATOM 997 OE1 GLU A 61 -1.233 -9.704 -7.221 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.761 -11.838 -7.650 1.00 0.00 O ATOM 0 H GLU A 61 3.249 -6.608 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 61 1.199 -7.727 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.665 -8.967 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.289 -9.626 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.625 -11.269 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.252 -10.070 -6.179 1.00 0.00 H new ATOM 1005 N ASN A 62 4.171 -9.053 -7.203 1.00 0.00 N ATOM 1006 CA ASN A 62 5.402 -9.447 -6.540 1.00 0.00 C ATOM 1007 C ASN A 62 6.123 -8.199 -6.027 1.00 0.00 C ATOM 1008 O ASN A 62 6.574 -8.164 -4.883 1.00 0.00 O ATOM 1009 CB ASN A 62 6.340 -10.173 -7.506 1.00 0.00 C ATOM 1010 CG ASN A 62 6.328 -9.509 -8.884 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.931 -8.472 -9.108 1.00 0.00 O ATOM 1012 ND2 ASN A 62 5.610 -10.162 -9.793 1.00 0.00 N ATOM 0 H ASN A 62 4.104 -9.337 -8.181 1.00 0.00 H new ATOM 0 HA ASN A 62 5.143 -10.115 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.354 -10.170 -7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.037 -11.216 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.540 -9.800 -10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.130 -11.025 -9.539 1.00 0.00 H new ATOM 1019 N ASN A 63 6.209 -7.205 -6.898 1.00 0.00 N ATOM 1020 CA ASN A 63 6.867 -5.958 -6.548 1.00 0.00 C ATOM 1021 C ASN A 63 6.247 -5.401 -5.265 1.00 0.00 C ATOM 1022 O ASN A 63 6.950 -5.156 -4.287 1.00 0.00 O ATOM 1023 CB ASN A 63 6.691 -4.913 -7.651 1.00 0.00 C ATOM 1024 CG ASN A 63 7.172 -3.537 -7.186 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.048 -3.409 -6.346 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.554 -2.519 -7.777 1.00 0.00 N ATOM 0 H ASN A 63 5.834 -7.238 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 63 7.929 -6.164 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.249 -5.217 -8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.641 -4.857 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.805 -1.560 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.829 -2.697 -8.472 1.00 0.00 H new ATOM 1033 N MET A 64 4.935 -5.217 -5.312 1.00 0.00 N ATOM 1034 CA MET A 64 4.212 -4.693 -4.166 1.00 0.00 C ATOM 1035 C MET A 64 4.593 -5.443 -2.888 1.00 0.00 C ATOM 1036 O MET A 64 4.672 -4.848 -1.814 1.00 0.00 O ATOM 1037 CB MET A 64 2.707 -4.827 -4.407 1.00 0.00 C ATOM 1038 CG MET A 64 1.911 -4.327 -3.200 1.00 0.00 C ATOM 1039 SD MET A 64 1.186 -2.737 -3.563 1.00 0.00 S ATOM 1040 CE MET A 64 -0.412 -3.255 -4.165 1.00 0.00 C ATOM 0 H MET A 64 4.355 -5.422 -6.126 1.00 0.00 H new ATOM 0 HA MET A 64 4.477 -3.643 -4.042 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.425 -4.259 -5.293 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.458 -5.870 -4.604 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.129 -5.043 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.564 -4.248 -2.331 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.181 -2.589 -3.775 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.419 -3.219 -5.254 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.613 -4.274 -3.834 1.00 0.00 H new ATOM 1050 N SER A 65 4.819 -6.739 -3.045 1.00 0.00 N ATOM 1051 CA SER A 65 5.190 -7.576 -1.917 1.00 0.00 C ATOM 1052 C SER A 65 6.465 -7.039 -1.263 1.00 0.00 C ATOM 1053 O SER A 65 6.632 -7.138 -0.048 1.00 0.00 O ATOM 1054 CB SER A 65 5.390 -9.030 -2.352 1.00 0.00 C ATOM 1055 OG SER A 65 5.338 -9.929 -1.248 1.00 0.00 O ATOM 0 H SER A 65 4.752 -7.230 -3.937 1.00 0.00 H new ATOM 0 HA SER A 65 4.378 -7.550 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.622 -9.301 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.352 -9.129 -2.855 1.00 0.00 H new ATOM 0 HG SER A 65 5.468 -10.846 -1.567 1.00 0.00 H new ATOM 1061 N GLU A 66 7.330 -6.481 -2.097 1.00 0.00 N ATOM 1062 CA GLU A 66 8.584 -5.928 -1.615 1.00 0.00 C ATOM 1063 C GLU A 66 8.330 -4.632 -0.842 1.00 0.00 C ATOM 1064 O GLU A 66 8.814 -4.468 0.277 1.00 0.00 O ATOM 1065 CB GLU A 66 9.561 -5.695 -2.770 1.00 0.00 C ATOM 1066 CG GLU A 66 11.009 -5.739 -2.280 1.00 0.00 C ATOM 1067 CD GLU A 66 11.920 -4.906 -3.184 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.845 -5.118 -4.414 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.670 -4.077 -2.626 1.00 0.00 O ATOM 0 H GLU A 66 7.187 -6.400 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 66 9.040 -6.649 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.410 -6.454 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.359 -4.729 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.062 -5.363 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.358 -6.771 -2.258 1.00 0.00 H new ATOM 1076 N TYR A 67 7.572 -3.745 -1.470 1.00 0.00 N ATOM 1077 CA TYR A 67 7.247 -2.469 -0.855 1.00 0.00 C ATOM 1078 C TYR A 67 6.889 -2.648 0.622 1.00 0.00 C ATOM 1079 O TYR A 67 7.307 -1.856 1.465 1.00 0.00 O ATOM 1080 CB TYR A 67 6.023 -1.939 -1.604 1.00 0.00 C ATOM 1081 CG TYR A 67 5.350 -0.744 -0.928 1.00 0.00 C ATOM 1082 CD1 TYR A 67 5.946 0.500 -0.971 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.145 -0.909 -0.275 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.312 1.625 -0.334 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.511 0.216 0.362 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.126 1.428 0.301 1.00 0.00 C ATOM 1087 OH TYR A 67 3.526 2.491 0.902 1.00 0.00 O ATOM 0 H TYR A 67 7.173 -3.885 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 67 8.097 -1.789 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.323 -1.652 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.295 -2.744 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.888 0.630 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.678 -1.882 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.768 2.603 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.569 0.100 0.877 1.00 0.00 H new ATOM 0 HH TYR A 67 3.572 2.385 1.875 1.00 0.00 H new ATOM 1097 N LEU A 68 6.119 -3.692 0.889 1.00 0.00 N ATOM 1098 CA LEU A 68 5.699 -3.984 2.249 1.00 0.00 C ATOM 1099 C LEU A 68 6.880 -4.567 3.028 1.00 0.00 C ATOM 1100 O LEU A 68 8.011 -4.558 2.546 1.00 0.00 O ATOM 1101 CB LEU A 68 4.461 -4.883 2.246 1.00 0.00 C ATOM 1102 CG LEU A 68 3.295 -4.415 1.372 1.00 0.00 C ATOM 1103 CD1 LEU A 68 2.271 -5.535 1.180 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.657 -3.146 1.942 1.00 0.00 C ATOM 0 H LEU A 68 5.775 -4.347 0.187 1.00 0.00 H new ATOM 0 HA LEU A 68 5.399 -3.069 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.760 -5.878 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.104 -4.980 3.271 1.00 0.00 H new ATOM 0 HG LEU A 68 3.686 -4.163 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.453 -5.177 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.750 -6.387 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.880 -5.841 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.831 -2.835 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.283 -3.346 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.402 -2.352 1.985 1.00 0.00 H new ATOM 1116 N THR A 69 6.576 -5.060 4.220 1.00 0.00 N ATOM 1117 CA THR A 69 7.598 -5.645 5.070 1.00 0.00 C ATOM 1118 C THR A 69 8.423 -4.548 5.745 1.00 0.00 C ATOM 1119 O THR A 69 8.563 -4.534 6.967 1.00 0.00 O ATOM 1120 CB THR A 69 8.436 -6.597 4.215 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.542 -7.776 5.010 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.882 -6.123 4.057 1.00 0.00 C ATOM 0 H THR A 69 5.636 -5.066 4.617 1.00 0.00 H new ATOM 0 HA THR A 69 7.155 -6.220 5.883 1.00 0.00 H new ATOM 0 HB THR A 69 7.978 -6.699 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.196 -8.385 4.607 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.433 -6.834 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.894 -5.144 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.351 -6.053 5.038 1.00 0.00 H new ATOM 1130 N ASN A 70 8.949 -3.655 4.919 1.00 0.00 N ATOM 1131 CA ASN A 70 9.757 -2.556 5.421 1.00 0.00 C ATOM 1132 C ASN A 70 9.579 -1.341 4.509 1.00 0.00 C ATOM 1133 O ASN A 70 10.404 -1.092 3.631 1.00 0.00 O ATOM 1134 CB ASN A 70 11.242 -2.925 5.432 1.00 0.00 C ATOM 1135 CG ASN A 70 11.749 -3.115 6.863 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.562 -2.279 7.731 1.00 0.00 O ATOM 1137 ND2 ASN A 70 12.399 -4.259 7.059 1.00 0.00 N ATOM 0 H ASN A 70 8.831 -3.670 3.906 1.00 0.00 H new ATOM 0 HA ASN A 70 9.432 -2.335 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.397 -3.842 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.819 -2.142 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.776 -4.480 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.520 -4.915 6.288 1.00 0.00 H new ATOM 1144 N PRO A 71 8.468 -0.596 4.755 1.00 0.00 N ATOM 1145 CA PRO A 71 8.171 0.588 3.967 1.00 0.00 C ATOM 1146 C PRO A 71 9.081 1.753 4.362 1.00 0.00 C ATOM 1147 O PRO A 71 9.347 2.572 3.500 1.00 0.00 O ATOM 1148 CB PRO A 71 6.699 0.872 4.222 1.00 0.00 C ATOM 1149 CG PRO A 71 6.345 0.121 5.495 1.00 0.00 C ATOM 1150 CD PRO A 71 7.469 -0.860 5.786 1.00 0.00 C ATOM 0 HA PRO A 71 8.357 0.442 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.522 1.941 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.086 0.535 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.220 0.816 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.399 -0.407 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.880 -0.707 6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.117 -1.890 5.741 1.00 0.00 H new HETATM 1158 N M3L A 72 9.488 1.742 5.622 1.00 0.00 N HETATM 1159 CA M3L A 72 10.338 2.815 6.180 1.00 0.00 C HETATM 1160 CB M3L A 72 10.372 2.670 7.714 1.00 0.00 C HETATM 1161 CG M3L A 72 10.184 4.102 8.218 1.00 0.00 C HETATM 1162 CD M3L A 72 10.487 4.238 9.722 1.00 0.00 C HETATM 1163 CE M3L A 72 9.572 5.367 10.237 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.336 4.846 10.839 1.00 0.00 N HETATM 1165 C M3L A 72 11.765 2.861 5.701 1.00 0.00 C HETATM 1166 O M3L A 72 12.390 3.920 5.660 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.557 6.089 11.057 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.672 3.947 9.872 1.00 0.00 C HETATM 1169 CM3 M3L A 72 8.607 4.134 12.099 1.00 0.00 C HETATM 0 HM33 M3L A 72 9.276 3.296 11.906 1.00 0.00 H new HETATM 0 HM32 M3L A 72 9.075 4.816 12.809 1.00 0.00 H new HETATM 0 HM31 M3L A 72 7.671 3.763 12.516 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.433 4.501 8.964 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.338 3.120 9.627 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.754 3.556 10.310 1.00 0.00 H new HETATM 0 HM13 M3L A 72 8.110 6.753 11.721 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.391 6.587 10.102 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.596 5.842 11.509 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.836 4.771 7.657 1.00 0.00 H new HETATM 0 HG2 M3L A 72 9.159 4.421 8.026 1.00 0.00 H new HETATM 0 HE3 M3L A 72 10.111 5.962 10.974 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.320 6.034 9.412 1.00 0.00 H new HETATM 0 HD3 M3L A 72 10.288 3.304 10.247 1.00 0.00 H new HETATM 0 HD2 M3L A 72 11.537 4.479 9.889 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.580 2.012 8.072 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.316 2.246 8.055 1.00 0.00 H new HETATM 0 HA M3L A 72 9.877 3.738 5.829 1.00 0.00 H new HETATM 0 H M3L A 72 9.044 1.067 6.245 1.00 0.00 H new ATOM 1189 N LYS A 73 12.220 1.702 5.249 1.00 0.00 N ATOM 1190 CA LYS A 73 13.541 1.599 4.651 1.00 0.00 C ATOM 1191 C LYS A 73 13.425 1.781 3.136 1.00 0.00 C ATOM 1192 O LYS A 73 14.040 2.682 2.567 1.00 0.00 O ATOM 1193 CB LYS A 73 14.215 0.289 5.064 1.00 0.00 C ATOM 1194 CG LYS A 73 15.635 0.202 4.502 1.00 0.00 C ATOM 1195 CD LYS A 73 15.633 -0.407 3.098 1.00 0.00 C ATOM 1196 CE LYS A 73 16.388 -1.738 3.077 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.652 -1.604 2.319 1.00 0.00 N ATOM 0 H LYS A 73 11.698 0.826 5.285 1.00 0.00 H new ATOM 0 HA LYS A 73 14.190 2.394 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.245 0.219 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.626 -0.556 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.079 1.197 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.255 -0.403 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.606 -0.562 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.094 0.288 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.601 -2.058 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.765 -2.509 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.152 -2.516 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.442 -1.319 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.251 -0.883 2.768 1.00 0.00 H new ATOM 1211 N TYR A 74 12.634 0.911 2.526 1.00 0.00 N ATOM 1212 CA TYR A 74 12.430 0.964 1.089 1.00 0.00 C ATOM 1213 C TYR A 74 12.235 2.406 0.616 1.00 0.00 C ATOM 1214 O TYR A 74 12.977 2.889 -0.238 1.00 0.00 O ATOM 1215 CB TYR A 74 11.150 0.172 0.815 1.00 0.00 C ATOM 1216 CG TYR A 74 10.992 -0.271 -0.641 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.040 0.663 -1.656 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.803 -1.605 -0.940 1.00 0.00 C ATOM 1219 CE1 TYR A 74 10.892 0.246 -3.026 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.654 -2.022 -2.310 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.706 -1.076 -3.286 1.00 0.00 C ATOM 1222 OH TYR A 74 10.566 -1.470 -4.580 1.00 0.00 O ATOM 0 H TYR A 74 12.126 0.165 3.001 1.00 0.00 H new ATOM 0 HA TYR A 74 13.294 0.557 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.136 -0.710 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.291 0.782 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.189 1.707 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.767 -2.336 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.928 0.967 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.504 -3.063 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 74 10.441 -2.441 -4.615 1.00 0.00 H new ATOM 1232 N ILE A 75 11.232 3.053 1.192 1.00 0.00 N ATOM 1233 CA ILE A 75 10.930 4.430 0.840 1.00 0.00 C ATOM 1234 C ILE A 75 11.254 5.339 2.028 1.00 0.00 C ATOM 1235 O ILE A 75 10.451 5.470 2.950 1.00 0.00 O ATOM 1236 CB ILE A 75 9.487 4.553 0.347 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.282 3.770 -0.951 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.080 6.021 0.202 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.820 3.825 -1.400 1.00 0.00 C ATOM 0 H ILE A 75 10.618 2.649 1.900 1.00 0.00 H new ATOM 0 HA ILE A 75 11.555 4.756 0.009 1.00 0.00 H new ATOM 0 HB ILE A 75 8.831 4.110 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.922 4.180 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.583 2.732 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.050 6.080 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.162 6.519 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.737 6.512 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.702 3.261 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.185 3.392 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.530 4.862 -1.568 1.00 0.00 H new ATOM 1251 N PRO A 76 12.463 5.958 1.965 1.00 0.00 N ATOM 1252 CA PRO A 76 12.903 6.850 3.024 1.00 0.00 C ATOM 1253 C PRO A 76 12.173 8.192 2.949 1.00 0.00 C ATOM 1254 O PRO A 76 12.606 9.099 2.239 1.00 0.00 O ATOM 1255 CB PRO A 76 14.405 6.978 2.832 1.00 0.00 C ATOM 1256 CG PRO A 76 14.682 6.533 1.405 1.00 0.00 C ATOM 1257 CD PRO A 76 13.440 5.825 0.888 1.00 0.00 C ATOM 0 HA PRO A 76 12.674 6.468 4.019 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.733 8.005 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.945 6.356 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.921 7.391 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.543 5.865 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.078 6.282 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.645 4.778 0.666 1.00 0.00 H new ATOM 1265 N GLY A 77 11.078 8.277 3.690 1.00 0.00 N ATOM 1266 CA GLY A 77 10.284 9.493 3.716 1.00 0.00 C ATOM 1267 C GLY A 77 8.829 9.207 3.339 1.00 0.00 C ATOM 1268 O GLY A 77 8.204 9.988 2.624 1.00 0.00 O ATOM 0 H GLY A 77 10.722 7.523 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.325 9.937 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.706 10.222 3.024 1.00 0.00 H new ATOM 1272 N THR A 78 8.333 8.084 3.838 1.00 0.00 N ATOM 1273 CA THR A 78 6.963 7.684 3.563 1.00 0.00 C ATOM 1274 C THR A 78 6.112 7.789 4.830 1.00 0.00 C ATOM 1275 O THR A 78 6.311 7.034 5.780 1.00 0.00 O ATOM 1276 CB THR A 78 6.992 6.276 2.966 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.680 6.094 2.441 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.120 5.189 4.035 1.00 0.00 C ATOM 0 H THR A 78 8.855 7.439 4.431 1.00 0.00 H new ATOM 0 HA THR A 78 6.495 8.350 2.838 1.00 0.00 H new ATOM 0 HB THR A 78 7.824 6.196 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.611 5.206 2.033 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.136 4.209 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.044 5.335 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.271 5.247 4.716 1.00 0.00 H new ATOM 1286 N LYS A 79 5.182 8.733 4.803 1.00 0.00 N ATOM 1287 CA LYS A 79 4.300 8.946 5.938 1.00 0.00 C ATOM 1288 C LYS A 79 3.793 7.595 6.446 1.00 0.00 C ATOM 1289 O LYS A 79 3.463 7.454 7.622 1.00 0.00 O ATOM 1290 CB LYS A 79 3.183 9.925 5.571 1.00 0.00 C ATOM 1291 CG LYS A 79 2.301 10.230 6.784 1.00 0.00 C ATOM 1292 CD LYS A 79 3.054 11.081 7.809 1.00 0.00 C ATOM 1293 CE LYS A 79 2.129 12.123 8.442 1.00 0.00 C ATOM 1294 NZ LYS A 79 1.229 11.485 9.429 1.00 0.00 N ATOM 0 H LYS A 79 5.020 9.358 4.014 1.00 0.00 H new ATOM 0 HA LYS A 79 4.843 9.412 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.616 10.850 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.574 9.504 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.401 10.754 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.978 9.298 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.469 10.439 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.894 11.581 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.722 12.897 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.540 12.613 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.608 12.206 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.650 10.763 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.796 11.038 10.177 1.00 0.00 H new ATOM 1308 N MET A 80 3.746 6.636 5.533 1.00 0.00 N ATOM 1309 CA MET A 80 3.284 5.301 5.873 1.00 0.00 C ATOM 1310 C MET A 80 4.117 4.706 7.010 1.00 0.00 C ATOM 1311 O MET A 80 5.138 4.064 6.767 1.00 0.00 O ATOM 1312 CB MET A 80 3.381 4.398 4.642 1.00 0.00 C ATOM 1313 CG MET A 80 2.984 2.960 4.985 1.00 0.00 C ATOM 1314 SD MET A 80 2.558 2.073 3.495 1.00 0.00 S ATOM 1315 CE MET A 80 2.491 0.408 4.134 1.00 0.00 C ATOM 0 H MET A 80 4.020 6.757 4.558 1.00 0.00 H new ATOM 0 HA MET A 80 2.248 5.369 6.204 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.732 4.780 3.854 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.399 4.415 4.253 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.807 2.458 5.494 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.138 2.962 5.672 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.033 -0.248 3.393 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.501 0.061 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.898 0.393 5.048 1.00 0.00 H new ATOM 1325 N ALA A 81 3.651 4.940 8.228 1.00 0.00 N ATOM 1326 CA ALA A 81 4.341 4.435 9.403 1.00 0.00 C ATOM 1327 C ALA A 81 3.836 3.026 9.719 1.00 0.00 C ATOM 1328 O ALA A 81 3.107 2.826 10.690 1.00 0.00 O ATOM 1329 CB ALA A 81 4.136 5.403 10.571 1.00 0.00 C ATOM 0 H ALA A 81 2.804 5.473 8.427 1.00 0.00 H new ATOM 0 HA ALA A 81 5.413 4.368 9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.653 5.024 11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.537 6.382 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.071 5.493 10.786 1.00 0.00 H new ATOM 1335 N PHE A 82 4.244 2.084 8.881 1.00 0.00 N ATOM 1336 CA PHE A 82 3.842 0.699 9.058 1.00 0.00 C ATOM 1337 C PHE A 82 5.056 -0.195 9.318 1.00 0.00 C ATOM 1338 O PHE A 82 5.836 -0.469 8.407 1.00 0.00 O ATOM 1339 CB PHE A 82 3.168 0.259 7.757 1.00 0.00 C ATOM 1340 CG PHE A 82 2.909 -1.247 7.670 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.344 -1.902 8.719 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.243 -1.930 6.542 1.00 0.00 C ATOM 1343 CE1 PHE A 82 2.103 -3.299 8.638 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.002 -3.327 6.461 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.438 -3.982 7.510 1.00 0.00 C ATOM 0 H PHE A 82 4.849 2.253 8.077 1.00 0.00 H new ATOM 0 HA PHE A 82 3.171 0.612 9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.220 0.787 7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.793 0.559 6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.078 -1.359 9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.691 -1.410 5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.654 -3.819 9.471 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.267 -3.869 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.256 -5.045 7.448 1.00 0.00 H new ATOM 1355 N GLY A 83 5.179 -0.624 10.565 1.00 0.00 N ATOM 1356 CA GLY A 83 6.285 -1.482 10.956 1.00 0.00 C ATOM 1357 C GLY A 83 6.502 -2.598 9.933 1.00 0.00 C ATOM 1358 O GLY A 83 7.600 -2.754 9.402 1.00 0.00 O ATOM 0 H GLY A 83 4.531 -0.394 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.194 -0.889 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.084 -1.916 11.936 1.00 0.00 H new ATOM 1362 N GLY A 84 5.436 -3.346 9.686 1.00 0.00 N ATOM 1363 CA GLY A 84 5.496 -4.444 8.736 1.00 0.00 C ATOM 1364 C GLY A 84 5.331 -5.791 9.442 1.00 0.00 C ATOM 1365 O GLY A 84 5.990 -6.054 10.447 1.00 0.00 O ATOM 0 H GLY A 84 4.526 -3.213 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.714 -4.324 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.449 -4.421 8.208 1.00 0.00 H new ATOM 1369 N LEU A 85 4.446 -6.608 8.889 1.00 0.00 N ATOM 1370 CA LEU A 85 4.186 -7.921 9.454 1.00 0.00 C ATOM 1371 C LEU A 85 5.389 -8.831 9.195 1.00 0.00 C ATOM 1372 O LEU A 85 5.620 -9.785 9.935 1.00 0.00 O ATOM 1373 CB LEU A 85 2.865 -8.481 8.921 1.00 0.00 C ATOM 1374 CG LEU A 85 2.633 -8.334 7.416 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.350 -9.691 6.770 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.524 -7.320 7.129 1.00 0.00 C ATOM 0 H LEU A 85 3.901 -6.386 8.056 1.00 0.00 H new ATOM 0 HA LEU A 85 4.064 -7.853 10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.813 -9.540 9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.046 -7.987 9.445 1.00 0.00 H new ATOM 0 HG LEU A 85 3.547 -7.948 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.189 -9.558 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.200 -10.354 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.459 -10.129 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.379 -7.234 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.597 -7.654 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.805 -6.349 7.536 1.00 0.00 H new ATOM 1388 N LYS A 86 6.122 -8.502 8.142 1.00 0.00 N ATOM 1389 CA LYS A 86 7.296 -9.278 7.776 1.00 0.00 C ATOM 1390 C LYS A 86 6.922 -10.760 7.713 1.00 0.00 C ATOM 1391 O LYS A 86 7.717 -11.620 8.089 1.00 0.00 O ATOM 1392 CB LYS A 86 8.455 -8.976 8.727 1.00 0.00 C ATOM 1393 CG LYS A 86 8.201 -9.578 10.111 1.00 0.00 C ATOM 1394 CD LYS A 86 9.511 -9.755 10.881 1.00 0.00 C ATOM 1395 CE LYS A 86 9.386 -10.863 11.929 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.452 -11.873 11.745 1.00 0.00 N ATOM 0 H LYS A 86 5.927 -7.709 7.531 1.00 0.00 H new ATOM 0 HA LYS A 86 7.647 -8.995 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.381 -9.378 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.587 -7.898 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.528 -8.932 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.703 -10.542 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.316 -9.996 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.780 -8.818 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.451 -10.435 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.408 -11.339 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.353 -12.618 12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.372 -12.294 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.382 -11.418 11.844 1.00 0.00 H new ATOM 1410 N LYS A 87 5.713 -11.013 7.234 1.00 0.00 N ATOM 1411 CA LYS A 87 5.225 -12.377 7.116 1.00 0.00 C ATOM 1412 C LYS A 87 4.737 -12.617 5.686 1.00 0.00 C ATOM 1413 O LYS A 87 3.536 -12.732 5.448 1.00 0.00 O ATOM 1414 CB LYS A 87 4.167 -12.661 8.183 1.00 0.00 C ATOM 1415 CG LYS A 87 4.721 -12.406 9.587 1.00 0.00 C ATOM 1416 CD LYS A 87 4.831 -13.710 10.378 1.00 0.00 C ATOM 1417 CE LYS A 87 3.801 -13.753 11.509 1.00 0.00 C ATOM 1418 NZ LYS A 87 3.070 -15.040 11.495 1.00 0.00 N ATOM 0 H LYS A 87 5.057 -10.297 6.923 1.00 0.00 H new ATOM 0 HA LYS A 87 6.030 -13.088 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.295 -12.030 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.833 -13.695 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.702 -11.936 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.072 -11.709 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.679 -14.558 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.835 -13.805 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.300 -13.622 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.098 -12.927 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.375 -15.053 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.578 -15.150 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.743 -15.823 11.621 1.00 0.00 H new ATOM 1432 N GLU A 88 5.693 -12.687 4.772 1.00 0.00 N ATOM 1433 CA GLU A 88 5.376 -12.912 3.372 1.00 0.00 C ATOM 1434 C GLU A 88 4.222 -13.909 3.243 1.00 0.00 C ATOM 1435 O GLU A 88 3.300 -13.699 2.456 1.00 0.00 O ATOM 1436 CB GLU A 88 6.606 -13.394 2.601 1.00 0.00 C ATOM 1437 CG GLU A 88 6.972 -12.414 1.485 1.00 0.00 C ATOM 1438 CD GLU A 88 8.490 -12.254 1.372 1.00 0.00 C ATOM 1439 OE1 GLU A 88 9.182 -13.283 1.524 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.923 -11.105 1.137 1.00 0.00 O ATOM 0 H GLU A 88 6.688 -12.592 4.974 1.00 0.00 H new ATOM 0 HA GLU A 88 5.063 -11.964 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.448 -13.504 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.410 -14.378 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.569 -12.770 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.514 -11.445 1.683 1.00 0.00 H new ATOM 1447 N LYS A 89 4.311 -14.973 4.028 1.00 0.00 N ATOM 1448 CA LYS A 89 3.287 -16.003 4.011 1.00 0.00 C ATOM 1449 C LYS A 89 1.908 -15.346 4.097 1.00 0.00 C ATOM 1450 O LYS A 89 1.071 -15.534 3.215 1.00 0.00 O ATOM 1451 CB LYS A 89 3.546 -17.034 5.111 1.00 0.00 C ATOM 1452 CG LYS A 89 5.021 -17.436 5.149 1.00 0.00 C ATOM 1453 CD LYS A 89 5.176 -18.958 5.107 1.00 0.00 C ATOM 1454 CE LYS A 89 6.642 -19.365 5.270 1.00 0.00 C ATOM 1455 NZ LYS A 89 6.747 -20.803 5.601 1.00 0.00 N ATOM 0 H LYS A 89 5.077 -15.144 4.680 1.00 0.00 H new ATOM 0 HA LYS A 89 3.319 -16.557 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.253 -16.622 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.929 -17.916 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.545 -16.990 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.485 -17.044 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.579 -19.410 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.792 -19.340 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.188 -19.157 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.105 -18.770 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.748 -21.062 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.243 -20.992 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.323 -21.367 4.837 1.00 0.00 H new ATOM 1469 N ASP A 90 1.714 -14.588 5.166 1.00 0.00 N ATOM 1470 CA ASP A 90 0.451 -13.901 5.378 1.00 0.00 C ATOM 1471 C ASP A 90 0.223 -12.899 4.244 1.00 0.00 C ATOM 1472 O ASP A 90 -0.904 -12.720 3.786 1.00 0.00 O ATOM 1473 CB ASP A 90 0.458 -13.129 6.698 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.188 -13.857 7.878 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.931 -14.826 7.608 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.076 -13.430 9.022 1.00 0.00 O ATOM 0 H ASP A 90 2.411 -14.434 5.895 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.340 -14.651 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.490 -12.893 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.058 -12.181 6.549 1.00 0.00 H new ATOM 1481 N ARG A 91 1.312 -12.271 3.825 1.00 0.00 N ATOM 1482 CA ARG A 91 1.246 -11.291 2.754 1.00 0.00 C ATOM 1483 C ARG A 91 0.716 -11.940 1.474 1.00 0.00 C ATOM 1484 O ARG A 91 -0.104 -11.353 0.769 1.00 0.00 O ATOM 1485 CB ARG A 91 2.622 -10.683 2.478 1.00 0.00 C ATOM 1486 CG ARG A 91 3.190 -10.019 3.734 1.00 0.00 C ATOM 1487 CD ARG A 91 4.347 -9.081 3.383 1.00 0.00 C ATOM 1488 NE ARG A 91 5.639 -9.775 3.581 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.778 -9.432 2.965 1.00 0.00 C ATOM 1490 NH1 ARG A 91 6.792 -8.401 2.108 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.904 -10.118 3.206 1.00 0.00 N ATOM 0 H ARG A 91 2.245 -12.422 4.208 1.00 0.00 H new ATOM 0 HA ARG A 91 0.569 -10.498 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.304 -11.460 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.545 -9.948 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.404 -9.459 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.535 -10.784 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.257 -8.751 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.305 -8.189 4.007 1.00 0.00 H new ATOM 0 HE ARG A 91 5.664 -10.564 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.936 -7.878 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.659 -8.140 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.894 -10.902 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.771 -9.856 2.737 1.00 0.00 H new ATOM 1505 N ASN A 92 1.206 -13.143 1.211 1.00 0.00 N ATOM 1506 CA ASN A 92 0.793 -13.877 0.028 1.00 0.00 C ATOM 1507 C ASN A 92 -0.736 -13.902 -0.044 1.00 0.00 C ATOM 1508 O ASN A 92 -1.312 -13.801 -1.125 1.00 0.00 O ATOM 1509 CB ASN A 92 1.287 -15.324 0.077 1.00 0.00 C ATOM 1510 CG ASN A 92 2.816 -15.381 0.082 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.500 -14.411 -0.199 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.312 -16.569 0.416 1.00 0.00 N ATOM 0 H ASN A 92 1.885 -13.627 1.798 1.00 0.00 H new ATOM 0 HA ASN A 92 1.219 -13.379 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.898 -15.815 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.902 -15.873 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.322 -16.709 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.683 -17.340 0.640 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.348 -14.038 1.123 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.798 -14.077 1.207 1.00 0.00 C ATOM 1521 C ASP A 93 -3.364 -12.706 0.834 1.00 0.00 C ATOM 1522 O ASP A 93 -4.216 -12.600 -0.048 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.259 -14.408 2.628 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.740 -15.736 3.184 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.635 -16.686 2.378 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.461 -15.771 4.401 1.00 0.00 O ATOM 0 H ASP A 93 -0.866 -14.123 2.018 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.154 -14.848 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.942 -13.604 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.349 -14.425 2.645 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.868 -11.689 1.523 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.313 -10.328 1.275 1.00 0.00 C ATOM 1533 C LEU A 94 -3.109 -9.991 -0.203 1.00 0.00 C ATOM 1534 O LEU A 94 -4.073 -9.744 -0.926 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.619 -9.355 2.229 1.00 0.00 C ATOM 1536 CG LEU A 94 -3.533 -8.589 3.188 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.025 -8.691 4.628 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -3.701 -7.135 2.741 1.00 0.00 C ATOM 0 H LEU A 94 -2.162 -11.780 2.253 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.379 -10.233 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.892 -9.913 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.060 -8.631 1.635 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.520 -9.050 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.692 -8.138 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.999 -9.738 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.022 -8.270 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.355 -6.613 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.727 -6.646 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.141 -7.109 1.744 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.848 -9.991 -0.609 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.505 -9.688 -1.988 1.00 0.00 C ATOM 1552 C ILE A 95 -2.526 -10.346 -2.919 1.00 0.00 C ATOM 1553 O ILE A 95 -2.947 -9.746 -3.907 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.058 -10.090 -2.281 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.920 -9.269 -1.438 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.247 -9.987 -3.777 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.294 -9.940 -1.383 1.00 0.00 C ATOM 0 H ILE A 95 -1.051 -10.196 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.556 -8.614 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 95 0.071 -11.135 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.017 -8.268 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.527 -9.154 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.282 -10.278 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.419 -10.649 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.096 -8.960 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.970 -9.336 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.197 -10.931 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.695 -10.032 -2.392 1.00 0.00 H new ATOM 1569 N THR A 96 -2.895 -11.570 -2.571 1.00 0.00 N ATOM 1570 CA THR A 96 -3.858 -12.315 -3.363 1.00 0.00 C ATOM 1571 C THR A 96 -5.198 -11.577 -3.406 1.00 0.00 C ATOM 1572 O THR A 96 -5.762 -11.369 -4.479 1.00 0.00 O ATOM 1573 CB THR A 96 -3.960 -13.726 -2.779 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.379 -14.558 -3.779 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.406 -14.216 -2.681 1.00 0.00 C ATOM 0 H THR A 96 -2.544 -12.064 -1.751 1.00 0.00 H new ATOM 0 HA THR A 96 -3.536 -12.400 -4.401 1.00 0.00 H new ATOM 0 HB THR A 96 -3.503 -13.743 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.402 -15.492 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.422 -15.222 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.975 -13.545 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.853 -14.231 -3.675 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.668 -11.201 -2.226 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.931 -10.491 -2.115 1.00 0.00 C ATOM 1585 C TYR A 97 -6.805 -9.062 -2.648 1.00 0.00 C ATOM 1586 O TYR A 97 -7.705 -8.566 -3.324 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.255 -10.437 -0.621 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.449 -9.546 -0.274 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.729 -10.063 -0.307 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -8.247 -8.225 0.071 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.853 -9.224 0.018 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.372 -7.386 0.397 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.619 -7.927 0.354 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.680 -7.135 0.662 1.00 0.00 O ATOM 0 H TYR A 97 -5.197 -11.375 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.706 -10.994 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.454 -11.448 -0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.378 -10.078 -0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.887 -11.097 -0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.246 -7.820 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.859 -9.616 -0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.228 -6.351 0.669 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.363 -6.235 0.883 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.680 -8.441 -2.325 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.425 -7.079 -2.763 1.00 0.00 C ATOM 1606 C LEU A 98 -5.589 -6.998 -4.282 1.00 0.00 C ATOM 1607 O LEU A 98 -6.279 -6.115 -4.789 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.058 -6.604 -2.265 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.070 -5.397 -1.325 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.850 -5.830 0.126 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.051 -4.346 -1.770 1.00 0.00 C ATOM 0 H LEU A 98 -4.935 -8.856 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.153 -6.395 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.571 -7.434 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.443 -6.359 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.055 -4.933 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.863 -4.953 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.644 -6.514 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.886 -6.332 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.080 -3.499 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.052 -4.783 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.294 -4.007 -2.777 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.942 -7.930 -4.966 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.008 -7.975 -6.417 1.00 0.00 C ATOM 1625 C LYS A 99 -6.457 -7.772 -6.864 1.00 0.00 C ATOM 1626 O LYS A 99 -6.712 -7.111 -7.869 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.377 -9.267 -6.942 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.521 -9.369 -8.462 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.138 -10.765 -8.956 1.00 0.00 C ATOM 1630 CE LYS A 99 -5.300 -11.745 -8.786 1.00 0.00 C ATOM 1631 NZ LYS A 99 -4.950 -12.799 -7.808 1.00 0.00 N ATOM 0 H LYS A 99 -4.369 -8.660 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.424 -7.163 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.322 -9.297 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.853 -10.126 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.549 -9.147 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.888 -8.623 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.849 -10.716 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.270 -11.125 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.189 -11.210 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.544 -12.199 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.750 -13.456 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.115 -13.320 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.739 -12.363 -6.888 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.367 -8.352 -6.095 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.783 -8.242 -6.400 1.00 0.00 C ATOM 1647 C LYS A 100 -9.339 -6.965 -5.768 1.00 0.00 C ATOM 1648 O LYS A 100 -9.977 -6.160 -6.445 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.523 -9.512 -5.972 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.978 -9.484 -6.445 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.182 -10.408 -7.647 1.00 0.00 C ATOM 1652 CE LYS A 100 -11.453 -9.602 -8.918 1.00 0.00 C ATOM 1653 NZ LYS A 100 -10.242 -9.551 -9.768 1.00 0.00 N ATOM 0 H LYS A 100 -7.151 -8.899 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.935 -8.158 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.020 -10.387 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.491 -9.607 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.635 -9.790 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.257 -8.465 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.297 -11.029 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.017 -11.082 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.275 -10.053 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.763 -8.591 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.316 -8.753 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.402 -9.426 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.156 -10.438 -10.304 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.076 -6.818 -4.478 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.543 -5.652 -3.747 1.00 0.00 C ATOM 1669 C ALA A 101 -9.291 -4.396 -4.585 1.00 0.00 C ATOM 1670 O ALA A 101 -10.105 -3.474 -4.588 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.849 -5.592 -2.385 1.00 0.00 C ATOM 0 H ALA A 101 -8.545 -7.487 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.616 -5.718 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.199 -4.718 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.082 -6.493 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.771 -5.522 -2.529 1.00 0.00 H new ATOM 1677 N SER A 102 -8.160 -4.401 -5.275 1.00 0.00 N ATOM 1678 CA SER A 102 -7.791 -3.274 -6.115 1.00 0.00 C ATOM 1679 C SER A 102 -8.296 -3.497 -7.542 1.00 0.00 C ATOM 1680 O SER A 102 -8.545 -2.540 -8.273 1.00 0.00 O ATOM 1681 CB SER A 102 -6.276 -3.061 -6.116 1.00 0.00 C ATOM 1682 OG SER A 102 -5.813 -2.520 -4.881 1.00 0.00 O ATOM 0 H SER A 102 -7.487 -5.167 -5.270 1.00 0.00 H new ATOM 0 HA SER A 102 -8.257 -2.377 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.776 -4.011 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.005 -2.390 -6.931 1.00 0.00 H new ATOM 0 HG SER A 102 -5.171 -3.138 -4.473 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.432 -4.767 -7.896 1.00 0.00 N ATOM 1689 CA GLU A 103 -8.903 -5.128 -9.222 1.00 0.00 C ATOM 1690 C GLU A 103 -8.265 -4.221 -10.277 1.00 0.00 C ATOM 1691 O GLU A 103 -8.918 -3.832 -11.243 1.00 0.00 O ATOM 1692 CB GLU A 103 -10.430 -5.066 -9.298 1.00 0.00 C ATOM 1693 CG GLU A 103 -10.928 -3.627 -9.152 1.00 0.00 C ATOM 1694 CD GLU A 103 -12.446 -3.552 -9.334 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.957 -4.330 -10.168 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -13.060 -2.718 -8.634 1.00 0.00 O ATOM 0 H GLU A 103 -8.224 -5.559 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.603 -6.156 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.767 -5.477 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.862 -5.686 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.656 -3.242 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.438 -2.992 -9.890 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.015 2.031 3.444 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.019 4.200 1.085 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.433 -0.347 1.038 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.462 -0.299 5.860 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.134 4.433 5.701 1.00 0.00 C HETATM 1709 NA HEC A 104 0.247 1.978 1.505 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.652 2.933 0.654 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.967 2.395 -0.692 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.526 1.137 -0.673 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.110 0.801 0.616 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.599 0.123 -1.878 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.444 3.280 -1.808 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.242 4.125 -2.340 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.542 5.478 -2.967 1.00 0.00 C HETATM 1718 O1A HEC A 104 0.535 5.466 -4.203 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.753 6.479 -2.248 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.386 0.027 3.463 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.745 -0.710 2.342 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.055 -2.048 2.836 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.007 -2.088 4.191 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.636 -0.742 4.536 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.534 -3.187 1.863 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.322 -3.182 5.177 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.414 -4.417 5.060 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.247 2.099 5.430 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.425 1.086 6.323 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.679 1.437 7.665 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.540 2.778 7.631 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.360 3.201 6.244 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.926 0.553 8.849 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.866 3.868 8.699 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.079 3.642 10.010 1.00 0.00 C HETATM 1736 ND HEC A 104 0.365 3.962 3.417 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.248 4.850 4.480 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.590 6.130 4.064 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.949 6.066 2.771 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.880 4.662 2.373 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.645 7.433 4.984 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.536 7.238 1.944 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.606 8.427 1.873 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.137 9.779 2.310 1.00 0.00 C HETATM 1745 O1D HEC A 104 2.245 10.141 1.831 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.491 10.316 3.238 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.340 7.617 5.413 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.368 7.282 5.786 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.945 8.291 4.382 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.809 -0.060 8.668 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.062 -0.093 9.007 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.086 1.168 9.735 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.458 -2.881 1.372 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.767 -3.370 1.111 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.710 -4.101 2.431 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.043 0.524 -2.725 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.640 -0.027 -2.165 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.164 -0.831 -1.578 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.264 8.521 0.842 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.270 8.201 2.481 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.337 2.668 10.426 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.991 3.676 9.803 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.335 4.422 10.727 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.512 -4.847 4.063 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.622 -4.124 5.228 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.708 -5.156 5.805 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.287 3.524 -3.080 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.446 4.287 -1.510 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.483 7.549 2.385 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.753 6.891 0.934 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.238 3.937 -1.453 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.865 2.677 -2.612 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.297 5.250 6.404 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.342 -1.071 6.620 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.657 -1.085 0.267 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.449 4.879 0.349 1.00 0.00 H new HETATM 0 H2D HEC A 104 0.981 11.098 3.568 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.734 7.288 -2.800 1.00 0.00 H new