USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 ASN : amide:sc= 0 X(o=-0.25,f=-0.19) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.895 X(o=-0.85,f=-0.7) USER MOD Set 2.2: A 89 THR OG1 : rot -57:sc= 0.0462 USER MOD Set 3.1: A 60 SER OG : rot -113:sc= 0.603 USER MOD Set 3.2: A 69 THR OG1 : rot 61:sc= 1.07 USER MOD Set 4.1: A 51 THR OG1 : rot -32:sc= 0.35 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 46 ASN : amide:sc= 0.0689 X(o=0.84,f=1) USER MOD Set 5.2: A 50 SER OG : rot -92:sc= 0.768 USER MOD Set 6.1: A 24 SER OG : rot -28:sc= 1.24 USER MOD Set 6.2: A 27 ASN : amide:sc= -1.95! C(o=-0.71!,f=-8!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 152:sc= 0 (180deg=-1.01) USER MOD Single : A 12 MET CE :methyl -130:sc= -11.4! (180deg=-12.6!) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 0.175 (180deg=0.0218) USER MOD Single : A 19 ASN : amide:sc= -1.77! K(o=-1.8!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00639 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 36 SER OG : rot -92:sc= -1.73! USER MOD Single : A 37 ASN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.218 K(o=0.22,f=-8.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00599 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.65! C(o=-2.7!,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -10.3! C(o=-10!,f=-7.9!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 52:sc= 0.58 USER MOD Single : A 74 ASN : amide:sc= -4.18! C(o=-4.2!,f=-8.1!) USER MOD Single : A 77 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.1!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -59:sc= 1.13 USER MOD Single : A 91 SER OG : rot 180:sc= -0.593 USER MOD Single : A 93 ASN : amide:sc= -0.087 K(o=-0.087,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -45:sc= 0.0126 USER MOD Single : A 105 MET CE :methyl -146:sc= -1.25 (180deg=-4.34!) USER MOD Single : A 113 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.97) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 121 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.042 -10.397 1.809 1.00 0.00 N ATOM 2 CA LYS A 1 -5.820 -11.000 1.216 1.00 0.00 C ATOM 3 C LYS A 1 -4.739 -9.947 0.993 1.00 0.00 C ATOM 4 O LYS A 1 -4.828 -9.139 0.071 1.00 0.00 O ATOM 5 CB LYS A 1 -6.197 -11.659 -0.112 1.00 0.00 C ATOM 6 CG LYS A 1 -5.355 -12.878 -0.447 1.00 0.00 C ATOM 7 CD LYS A 1 -4.871 -12.843 -1.888 1.00 0.00 C ATOM 8 CE LYS A 1 -5.476 -13.972 -2.706 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.861 -13.655 -3.154 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.760 -11.136 1.950 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.806 -9.964 2.725 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.416 -9.668 1.168 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.417 -11.744 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.247 -11.951 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.096 -10.927 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.498 -12.925 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.940 -13.782 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.133 -11.885 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.784 -12.919 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.849 -14.166 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.487 -14.885 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.063 -14.160 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.539 -13.953 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.949 -12.631 -3.311 1.00 0.00 H new ATOM 25 N VAL A 2 -3.720 -9.964 1.846 1.00 0.00 N ATOM 26 CA VAL A 2 -2.618 -9.013 1.751 1.00 0.00 C ATOM 27 C VAL A 2 -1.401 -9.651 1.083 1.00 0.00 C ATOM 28 O VAL A 2 -1.091 -10.816 1.332 1.00 0.00 O ATOM 29 CB VAL A 2 -2.213 -8.498 3.151 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.925 -7.693 3.090 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.325 -7.661 3.759 1.00 0.00 C ATOM 0 H VAL A 2 -3.634 -10.629 2.614 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.963 -8.176 1.144 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.042 -9.368 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.666 -7.344 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.121 -8.321 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.063 -6.836 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.018 -7.309 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.530 -6.805 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.226 -8.267 3.855 1.00 0.00 H new ATOM 41 N PHE A 3 -0.694 -8.877 0.258 1.00 0.00 N ATOM 42 CA PHE A 3 0.505 -9.371 -0.406 1.00 0.00 C ATOM 43 C PHE A 3 1.675 -9.371 0.565 1.00 0.00 C ATOM 44 O PHE A 3 1.605 -8.779 1.641 1.00 0.00 O ATOM 45 CB PHE A 3 0.880 -8.485 -1.596 1.00 0.00 C ATOM 46 CG PHE A 3 -0.082 -8.519 -2.744 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.577 -9.718 -3.229 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.473 -7.341 -3.353 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.448 -9.736 -4.301 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.344 -7.352 -4.420 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.832 -8.551 -4.897 1.00 0.00 C ATOM 0 H PHE A 3 -0.933 -7.910 0.037 1.00 0.00 H new ATOM 0 HA PHE A 3 0.294 -10.382 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.970 -7.456 -1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.863 -8.786 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.280 -10.647 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.090 -6.400 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.828 -10.676 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.644 -6.423 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.513 -8.563 -5.735 1.00 0.00 H new ATOM 61 N GLY A 4 2.760 -10.013 0.165 1.00 0.00 N ATOM 62 CA GLY A 4 3.946 -10.050 0.995 1.00 0.00 C ATOM 63 C GLY A 4 4.873 -8.895 0.673 1.00 0.00 C ATOM 64 O GLY A 4 4.431 -7.868 0.159 1.00 0.00 O ATOM 0 H GLY A 4 2.842 -10.511 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.660 -10.009 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.470 -10.994 0.844 1.00 0.00 H new ATOM 68 N ARG A 5 6.156 -9.056 0.965 1.00 0.00 N ATOM 69 CA ARG A 5 7.129 -8.006 0.687 1.00 0.00 C ATOM 70 C ARG A 5 7.722 -8.174 -0.700 1.00 0.00 C ATOM 71 O ARG A 5 7.688 -7.249 -1.512 1.00 0.00 O ATOM 72 CB ARG A 5 8.237 -8.004 1.742 1.00 0.00 C ATOM 73 CG ARG A 5 7.730 -7.786 3.157 1.00 0.00 C ATOM 74 CD ARG A 5 8.514 -8.612 4.164 1.00 0.00 C ATOM 75 NE ARG A 5 7.683 -9.629 4.803 1.00 0.00 N ATOM 76 CZ ARG A 5 8.150 -10.794 5.243 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.437 -11.087 5.116 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.329 -11.665 5.813 1.00 0.00 N ATOM 0 H ARG A 5 6.546 -9.896 1.391 1.00 0.00 H new ATOM 0 HA ARG A 5 6.612 -7.047 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.770 -8.954 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.957 -7.223 1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.807 -6.729 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.674 -8.051 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.354 -9.093 3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.932 -7.954 4.926 1.00 0.00 H new ATOM 0 HE ARG A 5 6.688 -9.435 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.072 -10.418 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.792 -11.981 5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.339 -11.442 5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.687 -12.558 6.150 1.00 0.00 H new ATOM 92 N CYS A 6 8.262 -9.352 -0.975 1.00 0.00 N ATOM 93 CA CYS A 6 8.852 -9.611 -2.275 1.00 0.00 C ATOM 94 C CYS A 6 7.800 -10.067 -3.268 1.00 0.00 C ATOM 95 O CYS A 6 7.883 -9.742 -4.445 1.00 0.00 O ATOM 96 CB CYS A 6 9.959 -10.648 -2.179 1.00 0.00 C ATOM 97 SG CYS A 6 10.895 -10.600 -0.618 1.00 0.00 S ATOM 0 H CYS A 6 8.303 -10.134 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 6 9.285 -8.675 -2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.523 -11.640 -2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.651 -10.502 -3.009 1.00 0.00 H new ATOM 102 N GLU A 7 6.803 -10.810 -2.795 1.00 0.00 N ATOM 103 CA GLU A 7 5.739 -11.276 -3.675 1.00 0.00 C ATOM 104 C GLU A 7 5.269 -10.117 -4.539 1.00 0.00 C ATOM 105 O GLU A 7 5.268 -10.196 -5.771 1.00 0.00 O ATOM 106 CB GLU A 7 4.573 -11.841 -2.861 1.00 0.00 C ATOM 107 CG GLU A 7 4.899 -13.147 -2.156 1.00 0.00 C ATOM 108 CD GLU A 7 3.712 -13.715 -1.404 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.219 -13.042 -0.475 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.275 -14.835 -1.743 1.00 0.00 O ATOM 0 H GLU A 7 6.711 -11.098 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 7 6.121 -12.075 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.268 -11.103 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.721 -11.998 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.242 -13.876 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.722 -12.984 -1.460 1.00 0.00 H new ATOM 117 N LEU A 8 4.907 -9.024 -3.880 1.00 0.00 N ATOM 118 CA LEU A 8 4.473 -7.835 -4.584 1.00 0.00 C ATOM 119 C LEU A 8 5.629 -7.237 -5.373 1.00 0.00 C ATOM 120 O LEU A 8 5.429 -6.763 -6.487 1.00 0.00 O ATOM 121 CB LEU A 8 3.914 -6.786 -3.619 1.00 0.00 C ATOM 122 CG LEU A 8 3.774 -5.381 -4.218 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.518 -5.282 -5.070 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.762 -4.324 -3.126 1.00 0.00 C ATOM 0 H LEU A 8 4.907 -8.941 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 8 3.678 -8.130 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.936 -7.117 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.564 -6.732 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 8 4.638 -5.200 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.438 -4.277 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.571 -6.007 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.643 -5.491 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.662 -3.337 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.922 -4.504 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.694 -4.373 -2.562 1.00 0.00 H new ATOM 136 N ALA A 9 6.845 -7.264 -4.801 1.00 0.00 N ATOM 137 CA ALA A 9 8.010 -6.709 -5.487 1.00 0.00 C ATOM 138 C ALA A 9 8.236 -7.391 -6.828 1.00 0.00 C ATOM 139 O ALA A 9 8.322 -6.727 -7.859 1.00 0.00 O ATOM 140 CB ALA A 9 9.250 -6.812 -4.621 1.00 0.00 C ATOM 0 H ALA A 9 7.039 -7.659 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 9 7.811 -5.654 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.103 -6.392 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.094 -6.259 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.447 -7.859 -4.390 1.00 0.00 H new ATOM 146 N ALA A 10 8.318 -8.719 -6.815 1.00 0.00 N ATOM 147 CA ALA A 10 8.511 -9.473 -8.041 1.00 0.00 C ATOM 148 C ALA A 10 7.477 -9.038 -9.062 1.00 0.00 C ATOM 149 O ALA A 10 7.777 -8.898 -10.249 1.00 0.00 O ATOM 150 CB ALA A 10 8.407 -10.967 -7.772 1.00 0.00 C ATOM 0 H ALA A 10 8.254 -9.289 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 10 9.508 -9.274 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.554 -11.515 -8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.171 -11.261 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.421 -11.196 -7.368 1.00 0.00 H new ATOM 156 N ALA A 11 6.258 -8.803 -8.584 1.00 0.00 N ATOM 157 CA ALA A 11 5.183 -8.355 -9.452 1.00 0.00 C ATOM 158 C ALA A 11 5.492 -6.982 -10.012 1.00 0.00 C ATOM 159 O ALA A 11 5.233 -6.691 -11.178 1.00 0.00 O ATOM 160 CB ALA A 11 3.855 -8.354 -8.711 1.00 0.00 C ATOM 0 H ALA A 11 5.995 -8.916 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 11 5.100 -9.053 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.065 -8.015 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.630 -9.363 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.917 -7.683 -7.854 1.00 0.00 H new ATOM 166 N MET A 12 6.060 -6.158 -9.161 1.00 0.00 N ATOM 167 CA MET A 12 6.440 -4.796 -9.537 1.00 0.00 C ATOM 168 C MET A 12 7.393 -4.822 -10.721 1.00 0.00 C ATOM 169 O MET A 12 7.174 -4.148 -11.727 1.00 0.00 O ATOM 170 CB MET A 12 7.122 -4.070 -8.376 1.00 0.00 C ATOM 171 CG MET A 12 6.433 -4.248 -7.037 1.00 0.00 C ATOM 172 SD MET A 12 4.733 -3.661 -7.052 1.00 0.00 S ATOM 173 CE MET A 12 5.000 -1.922 -7.369 1.00 0.00 C ATOM 0 H MET A 12 6.274 -6.401 -8.194 1.00 0.00 H new ATOM 0 HA MET A 12 5.527 -4.264 -9.803 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.149 -4.426 -8.293 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.172 -3.006 -8.607 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.447 -5.303 -6.762 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.992 -3.712 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.442 -1.330 -6.643 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.063 -1.695 -7.282 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.658 -1.679 -8.375 1.00 0.00 H new ATOM 183 N LYS A 13 8.456 -5.614 -10.587 1.00 0.00 N ATOM 184 CA LYS A 13 9.454 -5.741 -11.639 1.00 0.00 C ATOM 185 C LYS A 13 8.782 -6.081 -12.958 1.00 0.00 C ATOM 186 O LYS A 13 9.083 -5.488 -13.994 1.00 0.00 O ATOM 187 CB LYS A 13 10.477 -6.820 -11.277 1.00 0.00 C ATOM 188 CG LYS A 13 11.731 -6.782 -12.134 1.00 0.00 C ATOM 189 CD LYS A 13 12.872 -6.075 -11.421 1.00 0.00 C ATOM 190 CE LYS A 13 14.224 -6.559 -11.921 1.00 0.00 C ATOM 191 NZ LYS A 13 14.814 -5.624 -12.919 1.00 0.00 N ATOM 0 H LYS A 13 8.645 -6.177 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 13 9.974 -4.789 -11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.759 -6.705 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.009 -7.800 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.032 -7.799 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.516 -6.272 -13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.789 -4.999 -11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.796 -6.249 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.906 -6.667 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.113 -7.546 -12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.850 -5.715 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.454 -5.856 -13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.550 -4.647 -12.678 1.00 0.00 H new ATOM 205 N ARG A 14 7.861 -7.035 -12.908 1.00 0.00 N ATOM 206 CA ARG A 14 7.134 -7.449 -14.095 1.00 0.00 C ATOM 207 C ARG A 14 6.305 -6.292 -14.627 1.00 0.00 C ATOM 208 O ARG A 14 6.205 -6.091 -15.838 1.00 0.00 O ATOM 209 CB ARG A 14 6.231 -8.643 -13.780 1.00 0.00 C ATOM 210 CG ARG A 14 6.988 -9.948 -13.600 1.00 0.00 C ATOM 211 CD ARG A 14 6.116 -11.013 -12.952 1.00 0.00 C ATOM 212 NE ARG A 14 4.967 -11.359 -13.784 1.00 0.00 N ATOM 213 CZ ARG A 14 4.459 -12.585 -13.867 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.996 -13.578 -13.171 1.00 0.00 N ATOM 215 NH2 ARG A 14 3.412 -12.819 -14.646 1.00 0.00 N ATOM 0 H ARG A 14 7.602 -7.535 -12.057 1.00 0.00 H new ATOM 0 HA ARG A 14 7.853 -7.750 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.667 -8.432 -12.871 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.506 -8.762 -14.585 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.339 -10.303 -14.569 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.871 -9.776 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.712 -11.907 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.768 -10.656 -11.983 1.00 0.00 H new ATOM 0 HE ARG A 14 4.529 -10.619 -14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.801 -13.402 -12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.604 -14.517 -13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.995 -12.058 -15.182 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.023 -13.760 -14.709 1.00 0.00 H new ATOM 229 N HIS A 15 5.684 -5.548 -13.714 1.00 0.00 N ATOM 230 CA HIS A 15 4.833 -4.431 -14.088 1.00 0.00 C ATOM 231 C HIS A 15 5.642 -3.205 -14.495 1.00 0.00 C ATOM 232 O HIS A 15 5.072 -2.214 -14.952 1.00 0.00 O ATOM 233 CB HIS A 15 3.912 -4.070 -12.923 1.00 0.00 C ATOM 234 CG HIS A 15 2.650 -4.875 -12.879 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.983 -5.161 -11.707 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.929 -5.452 -13.870 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.908 -5.881 -11.977 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.853 -6.071 -13.283 1.00 0.00 N ATOM 0 H HIS A 15 5.757 -5.703 -12.708 1.00 0.00 H new ATOM 0 HA HIS A 15 4.244 -4.743 -14.951 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.453 -4.209 -11.987 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.655 -3.013 -12.989 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.274 -4.863 -10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.158 -5.429 -14.925 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.196 -6.251 -11.254 1.00 0.00 H new ATOM 247 N GLY A 16 6.968 -3.275 -14.384 1.00 0.00 N ATOM 248 CA GLY A 16 7.798 -2.165 -14.805 1.00 0.00 C ATOM 249 C GLY A 16 7.896 -1.014 -13.819 1.00 0.00 C ATOM 250 O GLY A 16 8.192 0.106 -14.231 1.00 0.00 O ATOM 0 H GLY A 16 7.477 -4.077 -14.012 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.803 -2.539 -15.002 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.410 -1.781 -15.748 1.00 0.00 H new ATOM 254 N LEU A 17 7.655 -1.247 -12.527 1.00 0.00 N ATOM 255 CA LEU A 17 7.745 -0.151 -11.569 1.00 0.00 C ATOM 256 C LEU A 17 9.149 -0.027 -11.007 1.00 0.00 C ATOM 257 O LEU A 17 9.460 0.909 -10.274 1.00 0.00 O ATOM 258 CB LEU A 17 6.740 -0.311 -10.425 1.00 0.00 C ATOM 259 CG LEU A 17 5.358 -0.861 -10.795 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.292 -0.223 -9.919 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.024 -0.626 -12.263 1.00 0.00 C ATOM 0 H LEU A 17 7.404 -2.154 -12.132 1.00 0.00 H new ATOM 0 HA LEU A 17 7.501 0.762 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.179 -0.970 -9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.604 0.662 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 17 5.380 -1.938 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.313 -0.620 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.498 -0.448 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.299 0.857 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.036 -1.032 -12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.031 0.444 -12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.766 -1.122 -12.889 1.00 0.00 H new ATOM 273 N ASP A 18 9.993 -0.973 -11.357 1.00 0.00 N ATOM 274 CA ASP A 18 11.371 -0.968 -10.885 1.00 0.00 C ATOM 275 C ASP A 18 12.182 0.115 -11.593 1.00 0.00 C ATOM 276 O ASP A 18 12.708 -0.089 -12.688 1.00 0.00 O ATOM 277 CB ASP A 18 12.015 -2.345 -11.070 1.00 0.00 C ATOM 278 CG ASP A 18 13.522 -2.275 -11.225 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.204 -1.926 -10.238 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.020 -2.568 -12.331 1.00 0.00 O ATOM 0 H ASP A 18 9.755 -1.756 -11.965 1.00 0.00 H new ATOM 0 HA ASP A 18 11.364 -0.741 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.772 -2.973 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.586 -2.826 -11.949 1.00 0.00 H new ATOM 285 N ASN A 19 12.266 1.271 -10.942 1.00 0.00 N ATOM 286 CA ASN A 19 13.000 2.424 -11.460 1.00 0.00 C ATOM 287 C ASN A 19 12.348 2.975 -12.708 1.00 0.00 C ATOM 288 O ASN A 19 13.020 3.478 -13.610 1.00 0.00 O ATOM 289 CB ASN A 19 14.463 2.066 -11.731 1.00 0.00 C ATOM 290 CG ASN A 19 15.383 3.266 -11.616 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.005 3.681 -12.594 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.474 3.829 -10.418 1.00 0.00 N ATOM 0 H ASN A 19 11.826 1.437 -10.037 1.00 0.00 H new ATOM 0 HA ASN A 19 12.973 3.201 -10.696 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.783 1.298 -11.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.551 1.639 -12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.078 4.639 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.940 3.452 -9.635 1.00 0.00 H new ATOM 299 N TYR A 20 11.030 2.909 -12.734 1.00 0.00 N ATOM 300 CA TYR A 20 10.281 3.438 -13.854 1.00 0.00 C ATOM 301 C TYR A 20 10.433 4.944 -13.830 1.00 0.00 C ATOM 302 O TYR A 20 10.916 5.478 -12.832 1.00 0.00 O ATOM 303 CB TYR A 20 8.805 3.045 -13.751 1.00 0.00 C ATOM 304 CG TYR A 20 7.986 3.418 -14.967 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.132 2.731 -16.165 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.066 4.458 -14.914 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.383 3.070 -17.277 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.314 4.802 -16.021 1.00 0.00 C ATOM 309 CZ TYR A 20 6.477 4.106 -17.200 1.00 0.00 C ATOM 310 OH TYR A 20 5.730 4.446 -18.304 1.00 0.00 O ATOM 0 H TYR A 20 10.460 2.496 -11.996 1.00 0.00 H new ATOM 0 HA TYR A 20 10.660 3.030 -14.791 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.736 1.969 -13.594 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.372 3.523 -12.873 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.842 1.919 -16.229 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.937 5.006 -13.993 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.507 2.526 -18.201 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.602 5.612 -15.963 1.00 0.00 H new ATOM 0 HH TYR A 20 5.139 5.196 -18.081 1.00 0.00 H new ATOM 320 N ARG A 21 10.063 5.621 -14.917 1.00 0.00 N ATOM 321 CA ARG A 21 10.184 7.074 -14.997 1.00 0.00 C ATOM 322 C ARG A 21 10.143 7.691 -13.601 1.00 0.00 C ATOM 323 O ARG A 21 10.840 8.664 -13.313 1.00 0.00 O ATOM 324 CB ARG A 21 9.063 7.657 -15.860 1.00 0.00 C ATOM 325 CG ARG A 21 9.133 7.229 -17.317 1.00 0.00 C ATOM 326 CD ARG A 21 9.096 8.428 -18.251 1.00 0.00 C ATOM 327 NE ARG A 21 8.658 8.061 -19.595 1.00 0.00 N ATOM 328 CZ ARG A 21 9.492 7.780 -20.592 1.00 0.00 C ATOM 329 NH1 ARG A 21 10.804 7.822 -20.395 1.00 0.00 N ATOM 330 NH2 ARG A 21 9.016 7.455 -21.785 1.00 0.00 N ATOM 0 H ARG A 21 9.677 5.185 -15.754 1.00 0.00 H new ATOM 0 HA ARG A 21 11.142 7.313 -15.458 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.101 7.353 -15.446 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.103 8.745 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.048 6.662 -17.487 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.299 6.564 -17.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.424 9.184 -17.844 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.087 8.878 -18.303 1.00 0.00 H new ATOM 0 HE ARG A 21 7.656 8.018 -19.779 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.174 8.070 -19.478 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.442 7.606 -21.161 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.008 7.420 -21.940 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.657 7.240 -22.549 1.00 0.00 H new ATOM 344 N GLY A 22 9.318 7.100 -12.741 1.00 0.00 N ATOM 345 CA GLY A 22 9.186 7.572 -11.381 1.00 0.00 C ATOM 346 C GLY A 22 10.292 7.069 -10.473 1.00 0.00 C ATOM 347 O GLY A 22 11.357 7.682 -10.392 1.00 0.00 O ATOM 0 H GLY A 22 8.735 6.295 -12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.188 8.662 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.223 7.254 -10.983 1.00 0.00 H new ATOM 351 N TYR A 23 10.033 5.973 -9.757 1.00 0.00 N ATOM 352 CA TYR A 23 11.024 5.444 -8.825 1.00 0.00 C ATOM 353 C TYR A 23 11.261 3.946 -8.955 1.00 0.00 C ATOM 354 O TYR A 23 10.654 3.265 -9.781 1.00 0.00 O ATOM 355 CB TYR A 23 10.618 5.780 -7.393 1.00 0.00 C ATOM 356 CG TYR A 23 10.741 7.250 -7.060 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.772 8.156 -7.472 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.824 7.732 -6.337 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.877 9.500 -7.173 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.936 9.075 -6.033 1.00 0.00 C ATOM 361 CZ TYR A 23 10.961 9.954 -6.453 1.00 0.00 C ATOM 362 OH TYR A 23 11.071 11.293 -6.154 1.00 0.00 O ATOM 0 H TYR A 23 9.162 5.445 -9.804 1.00 0.00 H new ATOM 0 HA TYR A 23 11.968 5.924 -9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.587 5.464 -7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.238 5.206 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.921 7.803 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.591 7.046 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.115 10.191 -7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.784 9.435 -5.469 1.00 0.00 H new ATOM 0 HH TYR A 23 11.892 11.447 -5.641 1.00 0.00 H new ATOM 372 N SER A 24 12.183 3.457 -8.120 1.00 0.00 N ATOM 373 CA SER A 24 12.569 2.054 -8.106 1.00 0.00 C ATOM 374 C SER A 24 11.665 1.215 -7.215 1.00 0.00 C ATOM 375 O SER A 24 10.861 1.738 -6.443 1.00 0.00 O ATOM 376 CB SER A 24 14.021 1.914 -7.645 1.00 0.00 C ATOM 377 OG SER A 24 14.146 2.187 -6.260 1.00 0.00 O ATOM 0 H SER A 24 12.680 4.028 -7.436 1.00 0.00 H new ATOM 0 HA SER A 24 12.465 1.681 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.376 0.905 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.653 2.597 -8.212 1.00 0.00 H new ATOM 0 HG SER A 24 13.446 2.816 -5.986 1.00 0.00 H new ATOM 383 N LEU A 25 11.820 -0.098 -7.343 1.00 0.00 N ATOM 384 CA LEU A 25 11.050 -1.071 -6.580 1.00 0.00 C ATOM 385 C LEU A 25 10.903 -0.675 -5.111 1.00 0.00 C ATOM 386 O LEU A 25 9.788 -0.544 -4.608 1.00 0.00 O ATOM 387 CB LEU A 25 11.731 -2.433 -6.688 1.00 0.00 C ATOM 388 CG LEU A 25 11.064 -3.406 -7.646 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.096 -4.331 -8.269 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.994 -4.203 -6.922 1.00 0.00 C ATOM 0 H LEU A 25 12.490 -0.520 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 25 10.045 -1.111 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.763 -2.283 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.764 -2.886 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 25 10.589 -2.839 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.601 -5.021 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.829 -3.741 -8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.599 -4.896 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.523 -4.897 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.448 -4.762 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.241 -3.523 -6.523 1.00 0.00 H new ATOM 402 N GLY A 26 12.031 -0.515 -4.423 1.00 0.00 N ATOM 403 CA GLY A 26 12.011 -0.161 -3.010 1.00 0.00 C ATOM 404 C GLY A 26 10.998 0.917 -2.665 1.00 0.00 C ATOM 405 O GLY A 26 10.370 0.865 -1.607 1.00 0.00 O ATOM 0 H GLY A 26 12.964 -0.625 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.792 -1.054 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.004 0.178 -2.715 1.00 0.00 H new ATOM 409 N ASN A 27 10.845 1.899 -3.546 1.00 0.00 N ATOM 410 CA ASN A 27 9.906 2.994 -3.311 1.00 0.00 C ATOM 411 C ASN A 27 8.459 2.510 -3.374 1.00 0.00 C ATOM 412 O ASN A 27 7.597 3.012 -2.652 1.00 0.00 O ATOM 413 CB ASN A 27 10.132 4.111 -4.328 1.00 0.00 C ATOM 414 CG ASN A 27 11.600 4.442 -4.505 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.267 3.906 -5.390 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.113 5.330 -3.660 1.00 0.00 N ATOM 0 H ASN A 27 11.356 1.961 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 27 10.088 3.381 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.711 3.815 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.597 5.005 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.096 5.592 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.523 5.750 -2.941 1.00 0.00 H new ATOM 423 N TRP A 28 8.200 1.532 -4.235 1.00 0.00 N ATOM 424 CA TRP A 28 6.859 0.976 -4.387 1.00 0.00 C ATOM 425 C TRP A 28 6.480 0.114 -3.197 1.00 0.00 C ATOM 426 O TRP A 28 5.340 0.146 -2.736 1.00 0.00 O ATOM 427 CB TRP A 28 6.773 0.170 -5.672 1.00 0.00 C ATOM 428 CG TRP A 28 7.008 1.026 -6.864 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.171 1.156 -7.549 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.063 1.894 -7.492 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.022 2.069 -8.558 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.730 2.531 -8.552 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.717 2.193 -7.259 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.097 3.453 -9.382 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.085 3.104 -8.081 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.776 3.727 -9.134 1.00 0.00 C ATOM 0 H TRP A 28 8.902 1.107 -4.840 1.00 0.00 H new ATOM 0 HA TRP A 28 6.152 1.804 -4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.508 -0.634 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.791 -0.297 -5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.082 0.618 -7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.752 2.359 -9.208 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.181 1.719 -6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.627 3.934 -10.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.045 3.341 -7.913 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.256 4.436 -9.761 1.00 0.00 H new ATOM 447 N VAL A 29 7.438 -0.656 -2.695 1.00 0.00 N ATOM 448 CA VAL A 29 7.193 -1.520 -1.554 1.00 0.00 C ATOM 449 C VAL A 29 6.987 -0.701 -0.292 1.00 0.00 C ATOM 450 O VAL A 29 6.030 -0.912 0.446 1.00 0.00 O ATOM 451 CB VAL A 29 8.367 -2.496 -1.344 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.114 -3.404 -0.151 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.613 -3.307 -2.608 1.00 0.00 C ATOM 0 H VAL A 29 8.389 -0.698 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 29 6.288 -2.091 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 29 9.264 -1.915 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.958 -4.083 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.997 -2.799 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.205 -3.982 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.445 -3.992 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.717 -3.877 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.853 -2.634 -3.431 1.00 0.00 H new ATOM 463 N CYS A 30 7.895 0.229 -0.052 1.00 0.00 N ATOM 464 CA CYS A 30 7.824 1.084 1.121 1.00 0.00 C ATOM 465 C CYS A 30 6.515 1.875 1.150 1.00 0.00 C ATOM 466 O CYS A 30 5.833 1.928 2.176 1.00 0.00 O ATOM 467 CB CYS A 30 9.014 2.039 1.128 1.00 0.00 C ATOM 468 SG CYS A 30 9.340 2.818 2.737 1.00 0.00 S ATOM 0 H CYS A 30 8.695 0.412 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 30 7.855 0.455 2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.904 1.494 0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.842 2.820 0.388 1.00 0.00 H new ATOM 473 N ALA A 31 6.173 2.491 0.019 1.00 0.00 N ATOM 474 CA ALA A 31 4.955 3.285 -0.082 1.00 0.00 C ATOM 475 C ALA A 31 3.707 2.431 0.110 1.00 0.00 C ATOM 476 O ALA A 31 2.792 2.813 0.838 1.00 0.00 O ATOM 477 CB ALA A 31 4.904 3.996 -1.426 1.00 0.00 C ATOM 0 H ALA A 31 6.724 2.454 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 31 4.974 4.026 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.990 4.586 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.768 4.653 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.917 3.259 -2.229 1.00 0.00 H new ATOM 483 N ALA A 32 3.673 1.278 -0.551 1.00 0.00 N ATOM 484 CA ALA A 32 2.530 0.376 -0.458 1.00 0.00 C ATOM 485 C ALA A 32 2.410 -0.240 0.933 1.00 0.00 C ATOM 486 O ALA A 32 1.326 -0.273 1.514 1.00 0.00 O ATOM 487 CB ALA A 32 2.636 -0.716 -1.510 1.00 0.00 C ATOM 0 H ALA A 32 4.424 0.946 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 32 1.629 0.962 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.777 -1.383 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.654 -0.265 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.553 -1.285 -1.353 1.00 0.00 H new ATOM 493 N LYS A 33 3.528 -0.739 1.453 1.00 0.00 N ATOM 494 CA LYS A 33 3.557 -1.369 2.769 1.00 0.00 C ATOM 495 C LYS A 33 2.865 -0.514 3.819 1.00 0.00 C ATOM 496 O LYS A 33 1.957 -0.972 4.504 1.00 0.00 O ATOM 497 CB LYS A 33 5.001 -1.632 3.198 1.00 0.00 C ATOM 498 CG LYS A 33 5.119 -2.503 4.438 1.00 0.00 C ATOM 499 CD LYS A 33 6.571 -2.709 4.837 1.00 0.00 C ATOM 500 CE LYS A 33 6.690 -3.590 6.070 1.00 0.00 C ATOM 501 NZ LYS A 33 6.183 -2.907 7.292 1.00 0.00 N ATOM 0 H LYS A 33 4.431 -0.719 0.979 1.00 0.00 H new ATOM 0 HA LYS A 33 3.018 -2.313 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.534 -2.110 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.495 -0.679 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.576 -2.040 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.651 -3.470 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.116 -3.164 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.036 -1.743 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.132 -4.513 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.733 -3.870 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.389 -3.491 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.650 -1.983 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.155 -2.769 7.212 1.00 0.00 H new ATOM 515 N PHE A 34 3.314 0.723 3.962 1.00 0.00 N ATOM 516 CA PHE A 34 2.735 1.614 4.957 1.00 0.00 C ATOM 517 C PHE A 34 1.379 2.147 4.531 1.00 0.00 C ATOM 518 O PHE A 34 0.595 2.602 5.365 1.00 0.00 O ATOM 519 CB PHE A 34 3.683 2.755 5.265 1.00 0.00 C ATOM 520 CG PHE A 34 4.617 2.473 6.408 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.134 2.351 7.701 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.977 2.330 6.188 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.992 2.091 8.754 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.839 2.070 7.236 1.00 0.00 C ATOM 525 CZ PHE A 34 6.346 1.950 8.521 1.00 0.00 C ATOM 0 H PHE A 34 4.068 1.130 3.409 1.00 0.00 H new ATOM 0 HA PHE A 34 2.580 1.028 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.270 2.978 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.101 3.647 5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.076 2.460 7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.368 2.423 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.604 1.998 9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.897 1.961 7.051 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.018 1.746 9.342 1.00 0.00 H new ATOM 535 N GLU A 35 1.101 2.101 3.239 1.00 0.00 N ATOM 536 CA GLU A 35 -0.164 2.591 2.714 1.00 0.00 C ATOM 537 C GLU A 35 -1.334 1.712 3.137 1.00 0.00 C ATOM 538 O GLU A 35 -2.333 2.199 3.668 1.00 0.00 O ATOM 539 CB GLU A 35 -0.098 2.638 1.189 1.00 0.00 C ATOM 540 CG GLU A 35 -0.240 4.035 0.612 1.00 0.00 C ATOM 541 CD GLU A 35 0.360 4.152 -0.774 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.354 3.858 -1.755 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.545 4.532 -0.877 1.00 0.00 O ATOM 0 H GLU A 35 1.735 1.729 2.532 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.328 3.589 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.852 2.215 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.886 2.005 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.296 4.303 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.245 4.750 1.276 1.00 0.00 H new ATOM 550 N SER A 36 -1.226 0.421 2.847 1.00 0.00 N ATOM 551 CA SER A 36 -2.303 -0.521 3.144 1.00 0.00 C ATOM 552 C SER A 36 -1.794 -1.805 3.786 1.00 0.00 C ATOM 553 O SER A 36 -2.538 -2.779 3.900 1.00 0.00 O ATOM 554 CB SER A 36 -3.033 -0.867 1.842 1.00 0.00 C ATOM 555 OG SER A 36 -2.112 -1.253 0.839 1.00 0.00 O ATOM 0 H SER A 36 -0.407 0.001 2.408 1.00 0.00 H new ATOM 0 HA SER A 36 -2.974 -0.042 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.743 -1.675 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.609 -0.006 1.502 1.00 0.00 H new ATOM 0 HG SER A 36 -1.855 -0.468 0.312 1.00 0.00 H new ATOM 561 N ASN A 37 -0.529 -1.821 4.182 1.00 0.00 N ATOM 562 CA ASN A 37 0.056 -3.016 4.780 1.00 0.00 C ATOM 563 C ASN A 37 -0.024 -4.164 3.785 1.00 0.00 C ATOM 564 O ASN A 37 -0.102 -5.329 4.163 1.00 0.00 O ATOM 565 CB ASN A 37 -0.670 -3.383 6.079 1.00 0.00 C ATOM 566 CG ASN A 37 0.251 -4.036 7.091 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.087 -5.207 7.433 1.00 0.00 O ATOM 568 ND2 ASN A 37 1.227 -3.278 7.576 1.00 0.00 N ATOM 0 H ASN A 37 0.108 -1.029 4.102 1.00 0.00 H new ATOM 0 HA ASN A 37 1.100 -2.819 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.105 -2.484 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.494 -4.059 5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.878 -3.662 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.325 -2.312 7.264 1.00 0.00 H new ATOM 575 N PHE A 38 0.005 -3.795 2.505 1.00 0.00 N ATOM 576 CA PHE A 38 -0.056 -4.722 1.386 1.00 0.00 C ATOM 577 C PHE A 38 -1.435 -5.349 1.254 1.00 0.00 C ATOM 578 O PHE A 38 -1.593 -6.393 0.628 1.00 0.00 O ATOM 579 CB PHE A 38 1.037 -5.789 1.495 1.00 0.00 C ATOM 580 CG PHE A 38 2.421 -5.223 1.346 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.698 -4.299 0.350 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.438 -5.605 2.202 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.966 -3.769 0.211 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.709 -5.079 2.067 1.00 0.00 C ATOM 585 CZ PHE A 38 4.972 -4.160 1.070 1.00 0.00 C ATOM 0 H PHE A 38 0.073 -2.819 2.215 1.00 0.00 H new ATOM 0 HA PHE A 38 0.127 -4.152 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.956 -6.288 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.875 -6.548 0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.913 -3.990 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.237 -6.322 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.169 -3.050 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.496 -5.386 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.965 -3.748 0.963 1.00 0.00 H new ATOM 595 N ASN A 39 -2.445 -4.686 1.811 1.00 0.00 N ATOM 596 CA ASN A 39 -3.812 -5.176 1.714 1.00 0.00 C ATOM 597 C ASN A 39 -4.398 -4.772 0.371 1.00 0.00 C ATOM 598 O ASN A 39 -4.622 -3.591 0.105 1.00 0.00 O ATOM 599 CB ASN A 39 -4.660 -4.631 2.862 1.00 0.00 C ATOM 600 CG ASN A 39 -5.944 -5.415 3.057 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.658 -5.708 2.099 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.244 -5.759 4.305 1.00 0.00 N ATOM 0 H ASN A 39 -2.342 -3.814 2.330 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.810 -6.263 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.078 -4.657 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.902 -3.586 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.095 -6.287 4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.623 -5.495 5.070 1.00 0.00 H new ATOM 609 N THR A 40 -4.608 -5.761 -0.485 1.00 0.00 N ATOM 610 CA THR A 40 -5.126 -5.524 -1.821 1.00 0.00 C ATOM 611 C THR A 40 -6.583 -5.115 -1.757 1.00 0.00 C ATOM 612 O THR A 40 -7.137 -4.559 -2.705 1.00 0.00 O ATOM 613 CB THR A 40 -4.988 -6.787 -2.693 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.177 -7.581 -2.604 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.795 -7.620 -2.249 1.00 0.00 C ATOM 0 H THR A 40 -4.425 -6.742 -0.274 1.00 0.00 H new ATOM 0 HA THR A 40 -4.543 -4.719 -2.269 1.00 0.00 H new ATOM 0 HB THR A 40 -4.836 -6.470 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.079 -8.380 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.716 -8.507 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.884 -7.028 -2.340 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.929 -7.923 -1.210 1.00 0.00 H new ATOM 623 N GLN A 41 -7.195 -5.416 -0.626 1.00 0.00 N ATOM 624 CA GLN A 41 -8.591 -5.114 -0.395 1.00 0.00 C ATOM 625 C GLN A 41 -8.764 -3.948 0.579 1.00 0.00 C ATOM 626 O GLN A 41 -9.883 -3.620 0.974 1.00 0.00 O ATOM 627 CB GLN A 41 -9.272 -6.361 0.151 1.00 0.00 C ATOM 628 CG GLN A 41 -9.890 -7.244 -0.922 1.00 0.00 C ATOM 629 CD GLN A 41 -9.943 -8.704 -0.515 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.317 -9.558 -1.142 1.00 0.00 O ATOM 631 NE2 GLN A 41 -10.695 -8.997 0.540 1.00 0.00 N ATOM 0 H GLN A 41 -6.735 -5.878 0.158 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.047 -4.814 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.543 -6.945 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.050 -6.061 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.899 -6.894 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.315 -7.148 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.197 -8.256 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.770 -9.963 0.860 1.00 0.00 H new ATOM 640 N ALA A 42 -7.651 -3.338 0.975 1.00 0.00 N ATOM 641 CA ALA A 42 -7.679 -2.224 1.918 1.00 0.00 C ATOM 642 C ALA A 42 -8.404 -1.005 1.360 1.00 0.00 C ATOM 643 O ALA A 42 -8.076 -0.507 0.281 1.00 0.00 O ATOM 644 CB ALA A 42 -6.267 -1.837 2.322 1.00 0.00 C ATOM 0 H ALA A 42 -6.717 -3.597 0.657 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.233 -2.566 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.305 -1.005 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.777 -2.689 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.704 -1.539 1.437 1.00 0.00 H new ATOM 650 N THR A 43 -9.373 -0.518 2.126 1.00 0.00 N ATOM 651 CA THR A 43 -10.146 0.660 1.755 1.00 0.00 C ATOM 652 C THR A 43 -10.096 1.676 2.893 1.00 0.00 C ATOM 653 O THR A 43 -10.229 1.307 4.060 1.00 0.00 O ATOM 654 CB THR A 43 -11.616 0.301 1.464 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.356 0.230 2.688 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.716 -1.028 0.729 1.00 0.00 C ATOM 0 H THR A 43 -9.644 -0.928 3.020 1.00 0.00 H new ATOM 0 HA THR A 43 -9.710 1.080 0.849 1.00 0.00 H new ATOM 0 HB THR A 43 -12.036 1.081 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.289 0.003 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.764 -1.259 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.178 -0.962 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.278 -1.816 1.341 1.00 0.00 H new ATOM 664 N ASN A 44 -9.898 2.950 2.568 1.00 0.00 N ATOM 665 CA ASN A 44 -9.826 3.986 3.596 1.00 0.00 C ATOM 666 C ASN A 44 -10.450 5.294 3.118 1.00 0.00 C ATOM 667 O ASN A 44 -9.879 5.997 2.285 1.00 0.00 O ATOM 668 CB ASN A 44 -8.371 4.225 4.004 1.00 0.00 C ATOM 669 CG ASN A 44 -8.249 5.176 5.179 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.703 6.272 5.051 1.00 0.00 O ATOM 671 ND2 ASN A 44 -8.757 4.759 6.332 1.00 0.00 N ATOM 0 H ASN A 44 -9.786 3.289 1.612 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.393 3.636 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.907 3.273 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.820 4.629 3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.704 5.355 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.201 3.843 6.392 1.00 0.00 H new ATOM 678 N ARG A 45 -11.625 5.611 3.653 1.00 0.00 N ATOM 679 CA ARG A 45 -12.329 6.836 3.285 1.00 0.00 C ATOM 680 C ARG A 45 -11.600 8.066 3.814 1.00 0.00 C ATOM 681 O ARG A 45 -11.223 8.120 4.986 1.00 0.00 O ATOM 682 CB ARG A 45 -13.762 6.806 3.820 1.00 0.00 C ATOM 683 CG ARG A 45 -13.855 6.430 5.291 1.00 0.00 C ATOM 684 CD ARG A 45 -14.589 5.114 5.484 1.00 0.00 C ATOM 685 NE ARG A 45 -14.575 4.678 6.878 1.00 0.00 N ATOM 686 CZ ARG A 45 -14.963 3.472 7.278 1.00 0.00 C ATOM 687 NH1 ARG A 45 -15.394 2.583 6.393 1.00 0.00 N ATOM 688 NH2 ARG A 45 -14.921 3.153 8.564 1.00 0.00 N ATOM 0 H ARG A 45 -12.110 5.037 4.343 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.356 6.895 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.216 7.786 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.345 6.095 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.853 6.354 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.371 7.219 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.620 5.222 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.129 4.348 4.860 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.249 5.337 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.428 2.825 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.691 1.658 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.591 3.834 9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.219 2.227 8.870 1.00 0.00 H new ATOM 702 N ASN A 46 -11.409 9.053 2.944 1.00 0.00 N ATOM 703 CA ASN A 46 -10.728 10.286 3.322 1.00 0.00 C ATOM 704 C ASN A 46 -11.705 11.281 3.932 1.00 0.00 C ATOM 705 O ASN A 46 -12.904 11.016 4.024 1.00 0.00 O ATOM 706 CB ASN A 46 -10.043 10.910 2.106 1.00 0.00 C ATOM 707 CG ASN A 46 -9.370 9.874 1.226 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.510 9.896 0.003 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.634 8.959 1.845 1.00 0.00 N ATOM 0 H ASN A 46 -11.717 9.023 1.972 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.973 10.039 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.780 11.458 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.301 11.634 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.157 8.237 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.545 8.978 2.861 1.00 0.00 H new ATOM 716 N THR A 47 -11.181 12.426 4.350 1.00 0.00 N ATOM 717 CA THR A 47 -12.000 13.468 4.956 1.00 0.00 C ATOM 718 C THR A 47 -12.429 14.507 3.926 1.00 0.00 C ATOM 719 O THR A 47 -12.983 15.549 4.279 1.00 0.00 O ATOM 720 CB THR A 47 -11.251 14.175 6.101 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.993 14.672 5.629 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.020 13.225 7.266 1.00 0.00 C ATOM 0 H THR A 47 -10.190 12.657 4.280 1.00 0.00 H new ATOM 0 HA THR A 47 -12.886 12.976 5.358 1.00 0.00 H new ATOM 0 HB THR A 47 -11.865 15.007 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.523 15.122 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.489 13.748 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.980 12.870 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.425 12.376 6.930 1.00 0.00 H new ATOM 730 N ASP A 48 -12.172 14.222 2.653 1.00 0.00 N ATOM 731 CA ASP A 48 -12.536 15.141 1.579 1.00 0.00 C ATOM 732 C ASP A 48 -13.595 14.528 0.666 1.00 0.00 C ATOM 733 O ASP A 48 -14.014 15.145 -0.313 1.00 0.00 O ATOM 734 CB ASP A 48 -11.301 15.531 0.767 1.00 0.00 C ATOM 735 CG ASP A 48 -10.810 14.408 -0.124 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.122 13.500 0.389 1.00 0.00 O ATOM 737 OD2 ASP A 48 -11.112 14.437 -1.335 1.00 0.00 O ATOM 0 H ASP A 48 -11.715 13.365 2.340 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.956 16.038 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.534 16.401 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.502 15.826 1.447 1.00 0.00 H new ATOM 742 N GLY A 49 -14.032 13.317 1.000 1.00 0.00 N ATOM 743 CA GLY A 49 -15.051 12.651 0.206 1.00 0.00 C ATOM 744 C GLY A 49 -14.523 11.453 -0.562 1.00 0.00 C ATOM 745 O GLY A 49 -15.261 10.498 -0.810 1.00 0.00 O ATOM 0 H GLY A 49 -13.700 12.785 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.859 12.327 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.479 13.365 -0.497 1.00 0.00 H new ATOM 749 N SER A 50 -13.250 11.498 -0.945 1.00 0.00 N ATOM 750 CA SER A 50 -12.645 10.400 -1.693 1.00 0.00 C ATOM 751 C SER A 50 -12.370 9.203 -0.789 1.00 0.00 C ATOM 752 O SER A 50 -12.839 9.148 0.348 1.00 0.00 O ATOM 753 CB SER A 50 -11.350 10.853 -2.369 1.00 0.00 C ATOM 754 OG SER A 50 -10.714 11.877 -1.625 1.00 0.00 O ATOM 0 H SER A 50 -12.621 12.277 -0.751 1.00 0.00 H new ATOM 0 HA SER A 50 -13.355 10.095 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.675 10.003 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.568 11.213 -3.375 1.00 0.00 H new ATOM 0 HG SER A 50 -11.016 12.752 -1.948 1.00 0.00 H new ATOM 760 N THR A 51 -11.606 8.247 -1.308 1.00 0.00 N ATOM 761 CA THR A 51 -11.259 7.043 -0.563 1.00 0.00 C ATOM 762 C THR A 51 -10.035 6.368 -1.175 1.00 0.00 C ATOM 763 O THR A 51 -9.651 6.675 -2.301 1.00 0.00 O ATOM 764 CB THR A 51 -12.431 6.042 -0.546 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.661 6.724 -0.280 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.211 4.961 0.502 1.00 0.00 C ATOM 0 H THR A 51 -11.213 8.284 -2.249 1.00 0.00 H new ATOM 0 HA THR A 51 -11.036 7.345 0.460 1.00 0.00 H new ATOM 0 HB THR A 51 -12.483 5.570 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.489 7.494 0.302 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.053 4.268 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.292 4.419 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.130 5.420 1.487 1.00 0.00 H new ATOM 774 N ASP A 52 -9.430 5.443 -0.437 1.00 0.00 N ATOM 775 CA ASP A 52 -8.258 4.720 -0.920 1.00 0.00 C ATOM 776 C ASP A 52 -8.574 3.242 -1.055 1.00 0.00 C ATOM 777 O ASP A 52 -8.440 2.476 -0.099 1.00 0.00 O ATOM 778 CB ASP A 52 -7.078 4.924 0.031 1.00 0.00 C ATOM 779 CG ASP A 52 -6.634 6.372 0.101 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.434 6.984 -0.970 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.489 6.894 1.226 1.00 0.00 O ATOM 0 H ASP A 52 -9.732 5.176 0.500 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.986 5.112 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.356 4.584 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.241 4.306 -0.295 1.00 0.00 H new ATOM 786 N TYR A 53 -9.004 2.845 -2.247 1.00 0.00 N ATOM 787 CA TYR A 53 -9.349 1.458 -2.500 1.00 0.00 C ATOM 788 C TYR A 53 -8.234 0.721 -3.232 1.00 0.00 C ATOM 789 O TYR A 53 -8.309 0.524 -4.442 1.00 0.00 O ATOM 790 CB TYR A 53 -10.630 1.357 -3.333 1.00 0.00 C ATOM 791 CG TYR A 53 -11.845 2.015 -2.720 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.429 1.506 -1.567 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.422 3.134 -3.308 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.552 2.094 -1.017 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.542 3.729 -2.762 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.105 3.205 -1.618 1.00 0.00 C ATOM 797 OH TYR A 53 -15.223 3.793 -1.072 1.00 0.00 O ATOM 0 H TYR A 53 -9.121 3.464 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.501 0.993 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.447 1.805 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.853 0.304 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.998 0.637 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.987 3.545 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.995 1.685 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.975 4.601 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.485 4.565 -1.616 1.00 0.00 H new ATOM 807 N GLY A 54 -7.184 0.335 -2.524 1.00 0.00 N ATOM 808 CA GLY A 54 -6.101 -0.370 -3.186 1.00 0.00 C ATOM 809 C GLY A 54 -4.853 -0.479 -2.341 1.00 0.00 C ATOM 810 O GLY A 54 -4.679 0.268 -1.378 1.00 0.00 O ATOM 0 H GLY A 54 -7.060 0.492 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.439 -1.371 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.858 0.143 -4.116 1.00 0.00 H new ATOM 814 N ILE A 55 -3.961 -1.391 -2.723 1.00 0.00 N ATOM 815 CA ILE A 55 -2.705 -1.559 -2.012 1.00 0.00 C ATOM 816 C ILE A 55 -1.886 -0.293 -2.192 1.00 0.00 C ATOM 817 O ILE A 55 -1.039 0.052 -1.368 1.00 0.00 O ATOM 818 CB ILE A 55 -1.896 -2.765 -2.535 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.677 -3.011 -1.642 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.466 -2.524 -3.975 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.144 -4.215 -2.052 1.00 0.00 C ATOM 0 H ILE A 55 -4.088 -2.019 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.926 -1.745 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.528 -3.653 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.041 -2.126 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.012 -3.144 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.896 -3.381 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.348 -2.388 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.845 -1.630 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.990 -4.326 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.476 -5.110 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.510 -4.077 -3.069 1.00 0.00 H new ATOM 833 N LEU A 56 -2.188 0.409 -3.282 1.00 0.00 N ATOM 834 CA LEU A 56 -1.536 1.665 -3.603 1.00 0.00 C ATOM 835 C LEU A 56 -2.532 2.804 -3.412 1.00 0.00 C ATOM 836 O LEU A 56 -2.250 3.953 -3.749 1.00 0.00 O ATOM 837 CB LEU A 56 -1.009 1.659 -5.047 1.00 0.00 C ATOM 838 CG LEU A 56 0.511 1.823 -5.198 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.028 2.939 -4.301 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.219 0.513 -4.882 1.00 0.00 C ATOM 0 H LEU A 56 -2.890 0.119 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.684 1.803 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.304 0.722 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.500 2.462 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 56 0.724 2.094 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.107 3.036 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.546 3.878 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.803 2.704 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.295 0.645 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.994 0.216 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.875 -0.261 -5.568 1.00 0.00 H new ATOM 852 N GLN A 57 -3.704 2.464 -2.858 1.00 0.00 N ATOM 853 CA GLN A 57 -4.763 3.435 -2.598 1.00 0.00 C ATOM 854 C GLN A 57 -5.397 3.943 -3.889 1.00 0.00 C ATOM 855 O GLN A 57 -5.138 5.073 -4.303 1.00 0.00 O ATOM 856 CB GLN A 57 -4.222 4.613 -1.784 1.00 0.00 C ATOM 857 CG GLN A 57 -3.642 4.207 -0.438 1.00 0.00 C ATOM 858 CD GLN A 57 -3.443 5.388 0.490 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.030 5.448 1.571 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.612 6.336 0.073 1.00 0.00 N ATOM 0 H GLN A 57 -3.939 1.511 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.536 2.925 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.452 5.121 -2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.025 5.332 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.306 3.484 0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.686 3.707 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.147 6.245 -0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.439 7.155 0.656 1.00 0.00 H new ATOM 869 N ILE A 58 -6.227 3.116 -4.535 1.00 0.00 N ATOM 870 CA ILE A 58 -6.862 3.528 -5.769 1.00 0.00 C ATOM 871 C ILE A 58 -8.137 4.288 -5.473 1.00 0.00 C ATOM 872 O ILE A 58 -9.198 3.693 -5.286 1.00 0.00 O ATOM 873 CB ILE A 58 -7.180 2.324 -6.676 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.001 1.346 -6.703 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.516 2.797 -8.083 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.665 2.000 -6.987 1.00 0.00 C ATOM 0 H ILE A 58 -6.465 2.175 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.161 4.176 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.047 1.803 -6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.946 0.833 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.190 0.586 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.739 1.936 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.384 3.455 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.666 3.339 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.882 1.242 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.699 2.489 -7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.451 2.740 -6.216 1.00 0.00 H new ATOM 888 N ASN A 59 -8.031 5.608 -5.433 1.00 0.00 N ATOM 889 CA ASN A 59 -9.185 6.441 -5.168 1.00 0.00 C ATOM 890 C ASN A 59 -10.173 6.311 -6.311 1.00 0.00 C ATOM 891 O ASN A 59 -10.018 6.947 -7.351 1.00 0.00 O ATOM 892 CB ASN A 59 -8.766 7.902 -4.991 1.00 0.00 C ATOM 893 CG ASN A 59 -9.943 8.817 -4.712 1.00 0.00 C ATOM 894 OD1 ASN A 59 -9.872 10.024 -4.941 1.00 0.00 O ATOM 895 ND2 ASN A 59 -11.035 8.250 -4.209 1.00 0.00 N ATOM 0 H ASN A 59 -7.161 6.119 -5.580 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.657 6.110 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.052 7.974 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.253 8.240 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.855 8.820 -3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.053 7.245 -4.034 1.00 0.00 H new ATOM 902 N SER A 60 -11.189 5.481 -6.117 1.00 0.00 N ATOM 903 CA SER A 60 -12.205 5.269 -7.141 1.00 0.00 C ATOM 904 C SER A 60 -12.936 6.567 -7.482 1.00 0.00 C ATOM 905 O SER A 60 -13.694 6.621 -8.451 1.00 0.00 O ATOM 906 CB SER A 60 -13.210 4.215 -6.677 1.00 0.00 C ATOM 907 OG SER A 60 -14.134 4.761 -5.752 1.00 0.00 O ATOM 0 H SER A 60 -11.332 4.944 -5.262 1.00 0.00 H new ATOM 0 HA SER A 60 -11.700 4.918 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.746 3.816 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.680 3.381 -6.217 1.00 0.00 H new ATOM 0 HG SER A 60 -13.999 4.349 -4.873 1.00 0.00 H new ATOM 913 N ARG A 61 -12.709 7.612 -6.688 1.00 0.00 N ATOM 914 CA ARG A 61 -13.354 8.900 -6.925 1.00 0.00 C ATOM 915 C ARG A 61 -12.534 9.746 -7.893 1.00 0.00 C ATOM 916 O ARG A 61 -13.062 10.272 -8.873 1.00 0.00 O ATOM 917 CB ARG A 61 -13.542 9.652 -5.606 1.00 0.00 C ATOM 918 CG ARG A 61 -14.503 10.825 -5.706 1.00 0.00 C ATOM 919 CD ARG A 61 -14.990 11.265 -4.335 1.00 0.00 C ATOM 920 NE ARG A 61 -16.324 11.856 -4.392 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.627 13.046 -3.880 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.693 13.769 -3.276 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.864 13.513 -3.973 1.00 0.00 N ATOM 0 H ARG A 61 -12.087 7.592 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.331 8.713 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.908 8.957 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.573 10.015 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.009 11.660 -6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.356 10.546 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.002 10.408 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.290 11.989 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.066 11.326 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.740 13.413 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.928 14.681 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.584 12.960 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.096 14.425 -3.580 1.00 0.00 H new ATOM 937 N TRP A 62 -11.240 9.872 -7.613 1.00 0.00 N ATOM 938 CA TRP A 62 -10.346 10.652 -8.462 1.00 0.00 C ATOM 939 C TRP A 62 -9.805 9.800 -9.604 1.00 0.00 C ATOM 940 O TRP A 62 -9.213 10.318 -10.550 1.00 0.00 O ATOM 941 CB TRP A 62 -9.186 11.218 -7.641 1.00 0.00 C ATOM 942 CG TRP A 62 -9.383 12.648 -7.243 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.125 13.115 -6.196 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.830 13.801 -7.889 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.066 14.487 -6.150 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.277 14.933 -7.179 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.998 13.988 -8.997 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.921 16.228 -7.542 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.645 15.275 -9.356 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.106 16.380 -8.631 1.00 0.00 C ATOM 0 H TRP A 62 -10.788 9.444 -6.805 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.918 11.479 -8.884 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.056 10.613 -6.744 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.266 11.133 -8.219 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.678 12.496 -5.505 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.533 15.078 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.637 13.141 -9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.275 17.083 -6.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -7.003 15.431 -10.210 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.812 17.373 -8.937 1.00 0.00 H new ATOM 961 N TRP A 63 -10.030 8.491 -9.517 1.00 0.00 N ATOM 962 CA TRP A 63 -9.582 7.558 -10.547 1.00 0.00 C ATOM 963 C TRP A 63 -10.637 6.491 -10.794 1.00 0.00 C ATOM 964 O TRP A 63 -11.457 6.206 -9.924 1.00 0.00 O ATOM 965 CB TRP A 63 -8.270 6.869 -10.145 1.00 0.00 C ATOM 966 CG TRP A 63 -7.202 7.804 -9.672 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.613 7.835 -8.440 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.589 8.838 -10.435 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.667 8.834 -8.397 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.637 9.465 -9.613 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.760 9.289 -11.737 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.855 10.528 -10.061 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.994 10.339 -12.183 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.049 10.954 -11.350 1.00 0.00 C ATOM 0 H TRP A 63 -10.522 8.051 -8.740 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.417 8.136 -11.456 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.480 6.147 -9.356 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.892 6.307 -10.999 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.854 7.174 -7.621 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.084 9.066 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.484 8.822 -12.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.125 10.998 -9.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.122 10.697 -13.194 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.463 11.778 -11.730 1.00 0.00 H new ATOM 985 N CYS A 64 -10.571 5.879 -11.971 1.00 0.00 N ATOM 986 CA CYS A 64 -11.479 4.800 -12.367 1.00 0.00 C ATOM 987 C CYS A 64 -12.950 5.115 -12.117 1.00 0.00 C ATOM 988 O CYS A 64 -13.305 5.934 -11.272 1.00 0.00 O ATOM 989 CB CYS A 64 -11.101 3.501 -11.646 1.00 0.00 C ATOM 990 SG CYS A 64 -11.923 3.256 -10.032 1.00 0.00 S ATOM 0 H CYS A 64 -9.882 6.117 -12.685 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.362 4.686 -13.445 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.344 2.658 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.022 3.486 -11.495 1.00 0.00 H new ATOM 995 N ASN A 65 -13.808 4.434 -12.868 1.00 0.00 N ATOM 996 CA ASN A 65 -15.248 4.611 -12.739 1.00 0.00 C ATOM 997 C ASN A 65 -15.852 3.459 -11.942 1.00 0.00 C ATOM 998 O ASN A 65 -15.913 2.326 -12.421 1.00 0.00 O ATOM 999 CB ASN A 65 -15.904 4.694 -14.120 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.377 5.043 -14.041 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.746 6.215 -13.969 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.228 4.024 -14.053 1.00 0.00 N ATOM 0 H ASN A 65 -13.530 3.753 -13.574 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.434 5.544 -12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.388 5.443 -14.720 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.787 3.739 -14.633 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.232 4.197 -14.001 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.878 3.068 -14.114 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.288 3.753 -10.723 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.876 2.735 -9.858 1.00 0.00 C ATOM 1011 C ASP A 66 -18.400 2.785 -9.898 1.00 0.00 C ATOM 1012 O ASP A 66 -19.069 1.807 -9.561 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.382 2.912 -8.421 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.964 4.143 -7.756 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.787 5.254 -8.300 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.599 3.998 -6.690 1.00 0.00 O ATOM 0 H ASP A 66 -16.246 4.685 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.561 1.759 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.645 2.029 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.294 2.982 -8.420 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.945 3.923 -10.317 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.388 4.069 -10.399 1.00 0.00 C ATOM 1023 C GLY A 67 -21.052 4.192 -9.039 1.00 0.00 C ATOM 1024 O GLY A 67 -22.209 4.601 -8.945 1.00 0.00 O ATOM 0 H GLY A 67 -18.414 4.746 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.625 4.951 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.805 3.210 -10.924 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.325 3.837 -7.983 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.861 3.909 -6.628 1.00 0.00 C ATOM 1030 C ARG A 68 -20.521 5.246 -5.977 1.00 0.00 C ATOM 1031 O ARG A 68 -21.009 5.560 -4.891 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.314 2.761 -5.779 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.552 1.388 -6.387 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.430 0.288 -5.345 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.367 -1.037 -5.953 1.00 0.00 N ATOM 1036 CZ ARG A 68 -20.468 -2.171 -5.264 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -20.638 -2.139 -3.949 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -20.402 -3.337 -5.892 1.00 0.00 N ATOM 0 H ARG A 68 -19.365 3.497 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.946 3.822 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.243 2.905 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.776 2.797 -4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.544 1.355 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.833 1.214 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.535 0.454 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.282 0.335 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.238 -1.097 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.692 -1.244 -3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.715 -3.010 -3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -20.274 -3.365 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -20.479 -4.206 -5.364 1.00 0.00 H new ATOM 1052 N THR A 69 -19.680 6.029 -6.647 1.00 0.00 N ATOM 1053 CA THR A 69 -19.277 7.332 -6.131 1.00 0.00 C ATOM 1054 C THR A 69 -19.743 8.456 -7.055 1.00 0.00 C ATOM 1055 O THR A 69 -19.109 8.733 -8.074 1.00 0.00 O ATOM 1056 CB THR A 69 -17.748 7.421 -5.964 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.263 6.272 -5.260 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.359 8.684 -5.209 1.00 0.00 C ATOM 0 H THR A 69 -19.266 5.784 -7.546 1.00 0.00 H new ATOM 0 HA THR A 69 -19.749 7.447 -5.155 1.00 0.00 H new ATOM 0 HB THR A 69 -17.299 7.455 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.474 5.462 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.275 8.725 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.703 9.559 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.820 8.674 -4.221 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.862 9.117 -6.710 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.412 10.215 -7.515 1.00 0.00 C ATOM 1068 C PRO A 70 -20.388 11.318 -7.763 1.00 0.00 C ATOM 1069 O PRO A 70 -20.168 12.178 -6.910 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.570 10.742 -6.664 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.953 9.599 -5.789 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.680 8.848 -5.512 1.00 0.00 C ATOM 0 HA PRO A 70 -21.717 9.879 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.265 11.606 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.406 11.060 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.408 9.951 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.685 8.959 -6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.193 9.203 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.862 7.781 -5.380 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.765 11.286 -8.937 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.772 12.287 -9.277 1.00 0.00 C ATOM 1082 C GLY A 71 -17.485 11.677 -9.799 1.00 0.00 C ATOM 1083 O GLY A 71 -16.462 12.354 -9.886 1.00 0.00 O ATOM 0 H GLY A 71 -19.931 10.584 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.183 12.960 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.553 12.890 -8.396 1.00 0.00 H new ATOM 1087 N SER A 72 -17.539 10.394 -10.147 1.00 0.00 N ATOM 1088 CA SER A 72 -16.369 9.691 -10.663 1.00 0.00 C ATOM 1089 C SER A 72 -15.824 10.386 -11.907 1.00 0.00 C ATOM 1090 O SER A 72 -16.484 10.429 -12.945 1.00 0.00 O ATOM 1091 CB SER A 72 -16.723 8.239 -10.989 1.00 0.00 C ATOM 1092 OG SER A 72 -17.255 7.576 -9.855 1.00 0.00 O ATOM 0 H SER A 72 -18.380 9.821 -10.081 1.00 0.00 H new ATOM 0 HA SER A 72 -15.598 9.705 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.448 8.212 -11.803 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.833 7.714 -11.337 1.00 0.00 H new ATOM 0 HG SER A 72 -17.989 8.106 -9.480 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.617 10.931 -11.793 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.983 11.627 -12.907 1.00 0.00 C ATOM 1100 C ARG A 73 -13.606 10.655 -14.020 1.00 0.00 C ATOM 1101 O ARG A 73 -13.763 10.964 -15.202 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.739 12.374 -12.424 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.052 13.593 -11.572 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.851 14.519 -11.461 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.518 15.140 -12.739 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.992 16.356 -12.854 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -10.739 17.079 -11.771 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.718 16.850 -14.053 1.00 0.00 N ATOM 0 H ARG A 73 -14.058 10.904 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.700 12.344 -13.308 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.115 11.690 -11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.155 12.687 -13.289 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.892 14.135 -12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.359 13.273 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.059 15.295 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.992 13.956 -11.097 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.699 14.611 -13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.948 16.703 -10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.336 18.011 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.911 16.297 -14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.315 17.783 -14.140 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.097 9.486 -13.632 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.683 8.466 -14.593 1.00 0.00 C ATOM 1124 C ASN A 74 -11.453 8.944 -15.351 1.00 0.00 C ATOM 1125 O ASN A 74 -11.290 8.675 -16.541 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.817 8.145 -15.571 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.680 6.763 -16.180 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.381 5.792 -15.486 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.899 6.668 -17.487 1.00 0.00 N ATOM 0 H ASN A 74 -12.962 9.222 -12.656 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.438 7.554 -14.049 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.773 8.217 -15.052 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.829 8.890 -16.366 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.821 5.764 -17.953 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.145 7.499 -18.025 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.581 9.636 -14.629 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.343 10.147 -15.176 1.00 0.00 C ATOM 1138 C LEU A 75 -8.492 9.023 -15.693 1.00 0.00 C ATOM 1139 O LEU A 75 -7.957 9.046 -16.802 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.590 10.819 -14.051 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.809 12.325 -13.920 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.114 12.865 -12.679 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.322 13.049 -15.166 1.00 0.00 C ATOM 0 H LEU A 75 -10.719 9.857 -13.643 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.562 10.836 -15.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.876 10.345 -13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.525 10.635 -14.190 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.879 12.505 -13.816 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.283 13.939 -12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.516 12.373 -11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.044 12.670 -12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.487 14.120 -15.052 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.258 12.859 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.872 12.687 -16.035 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.392 8.050 -14.835 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.632 6.862 -15.077 1.00 0.00 C ATOM 1157 C CYS A 76 -8.392 5.946 -16.024 1.00 0.00 C ATOM 1158 O CYS A 76 -7.799 5.141 -16.743 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.418 6.199 -13.738 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.727 5.604 -13.436 1.00 0.00 S ATOM 0 H CYS A 76 -8.850 8.063 -13.924 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.674 7.090 -15.544 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.684 6.907 -12.953 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.104 5.356 -13.653 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.718 6.079 -15.994 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.603 5.266 -16.821 1.00 0.00 C ATOM 1167 C ASN A 77 -10.162 3.814 -16.753 1.00 0.00 C ATOM 1168 O ASN A 77 -9.828 3.196 -17.765 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.630 5.763 -18.275 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.250 5.893 -18.890 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -8.584 6.918 -18.739 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -8.814 4.855 -19.594 1.00 0.00 N ATOM 0 H ASN A 77 -10.204 6.750 -15.399 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.619 5.353 -16.435 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.225 5.075 -18.876 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.129 6.731 -18.312 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.895 4.888 -20.035 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.398 4.025 -19.694 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.151 3.286 -15.535 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.736 1.914 -15.302 1.00 0.00 C ATOM 1181 C ILE A 78 -10.802 1.128 -14.550 1.00 0.00 C ATOM 1182 O ILE A 78 -11.633 1.706 -13.854 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.414 1.854 -14.503 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.684 1.571 -13.013 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.647 3.149 -14.683 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.803 2.350 -12.056 1.00 0.00 C ATOM 0 H ILE A 78 -10.426 3.792 -14.693 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.585 1.464 -16.283 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.807 1.034 -14.887 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.727 1.801 -12.796 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.547 0.506 -12.828 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.716 3.102 -14.118 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.423 3.295 -15.740 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.249 3.982 -14.321 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.061 2.089 -11.030 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.758 2.103 -12.241 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.956 3.418 -12.208 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.775 -0.210 -14.647 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.720 -1.051 -13.929 1.00 0.00 C ATOM 1200 C PRO A 79 -11.301 -1.161 -12.468 1.00 0.00 C ATOM 1201 O PRO A 79 -10.292 -1.790 -12.149 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.604 -2.397 -14.642 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.202 -2.433 -15.154 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.804 -1.004 -15.425 1.00 0.00 C ATOM 0 HA PRO A 79 -12.741 -0.668 -13.927 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.798 -3.225 -13.960 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.325 -2.478 -15.455 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.534 -2.889 -14.423 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.137 -3.032 -16.062 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.781 -0.807 -15.106 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.857 -0.769 -16.488 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.059 -0.521 -11.586 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.742 -0.521 -10.165 1.00 0.00 C ATOM 1214 C CYS A 80 -11.736 -1.936 -9.584 1.00 0.00 C ATOM 1215 O CYS A 80 -10.721 -2.387 -9.057 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.729 0.374 -9.413 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.309 1.809 -10.386 1.00 0.00 S ATOM 0 H CYS A 80 -12.898 0.005 -11.831 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.735 -0.122 -10.042 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.591 -0.222 -9.113 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.256 0.733 -8.499 1.00 0.00 H new ATOM 1222 N SER A 81 -12.868 -2.625 -9.667 1.00 0.00 N ATOM 1223 CA SER A 81 -12.979 -3.982 -9.132 1.00 0.00 C ATOM 1224 C SER A 81 -11.912 -4.916 -9.710 1.00 0.00 C ATOM 1225 O SER A 81 -11.553 -5.913 -9.084 1.00 0.00 O ATOM 1226 CB SER A 81 -14.372 -4.548 -9.419 1.00 0.00 C ATOM 1227 OG SER A 81 -14.522 -4.860 -10.794 1.00 0.00 O ATOM 0 H SER A 81 -13.722 -2.270 -10.098 1.00 0.00 H new ATOM 0 HA SER A 81 -12.820 -3.922 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.535 -5.444 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.131 -3.824 -9.122 1.00 0.00 H new ATOM 0 HG SER A 81 -15.419 -5.221 -10.951 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.412 -4.596 -10.901 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.391 -5.422 -11.547 1.00 0.00 C ATOM 1235 C ALA A 82 -9.052 -5.320 -10.821 1.00 0.00 C ATOM 1236 O ALA A 82 -8.119 -6.071 -11.107 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.233 -5.027 -13.005 1.00 0.00 C ATOM 0 H ALA A 82 -11.694 -3.776 -11.437 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.721 -6.460 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.470 -5.651 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.181 -5.165 -13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.934 -3.981 -13.068 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.972 -4.393 -9.877 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.755 -4.193 -9.097 1.00 0.00 C ATOM 1245 C LEU A 83 -7.892 -4.840 -7.726 1.00 0.00 C ATOM 1246 O LEU A 83 -6.925 -4.934 -6.970 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.446 -2.697 -8.951 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.049 -2.014 -7.721 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.029 -1.939 -6.595 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.550 -0.623 -8.079 1.00 0.00 C ATOM 0 H LEU A 83 -9.737 -3.765 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.927 -4.666 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.364 -2.569 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.804 -2.182 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.895 -2.609 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.477 -1.450 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.715 -2.946 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.163 -1.367 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.976 -0.151 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.720 -0.021 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.314 -0.699 -8.853 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.107 -5.269 -7.410 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.391 -5.892 -6.126 1.00 0.00 C ATOM 1264 C LEU A 84 -9.680 -7.380 -6.288 1.00 0.00 C ATOM 1265 O LEU A 84 -10.563 -7.930 -5.629 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.575 -5.182 -5.477 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.675 -3.698 -5.823 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.120 -3.231 -5.783 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.813 -2.872 -4.880 1.00 0.00 C ATOM 0 H LEU A 84 -9.914 -5.196 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.514 -5.798 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.496 -5.679 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.500 -5.288 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.304 -3.557 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.167 -2.171 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.706 -3.800 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.525 -3.386 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.896 -1.817 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.151 -3.020 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.773 -3.187 -4.968 1.00 0.00 H new ATOM 1281 N SER A 85 -8.914 -8.028 -7.159 1.00 0.00 N ATOM 1282 CA SER A 85 -9.072 -9.460 -7.399 1.00 0.00 C ATOM 1283 C SER A 85 -7.747 -10.177 -7.215 1.00 0.00 C ATOM 1284 O SER A 85 -7.426 -11.132 -7.922 1.00 0.00 O ATOM 1285 CB SER A 85 -9.636 -9.720 -8.798 1.00 0.00 C ATOM 1286 OG SER A 85 -9.868 -8.505 -9.489 1.00 0.00 O ATOM 0 H SER A 85 -8.178 -7.586 -7.710 1.00 0.00 H new ATOM 0 HA SER A 85 -9.782 -9.852 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.939 -10.337 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.567 -10.281 -8.719 1.00 0.00 H new ATOM 0 HG SER A 85 -10.227 -8.699 -10.380 1.00 0.00 H new ATOM 1292 N SER A 86 -6.988 -9.671 -6.259 1.00 0.00 N ATOM 1293 CA SER A 86 -5.667 -10.200 -5.929 1.00 0.00 C ATOM 1294 C SER A 86 -4.719 -9.854 -7.054 1.00 0.00 C ATOM 1295 O SER A 86 -3.683 -10.489 -7.252 1.00 0.00 O ATOM 1296 CB SER A 86 -5.716 -11.715 -5.707 1.00 0.00 C ATOM 1297 OG SER A 86 -5.386 -12.421 -6.891 1.00 0.00 O ATOM 0 H SER A 86 -7.268 -8.877 -5.684 1.00 0.00 H new ATOM 0 HA SER A 86 -5.319 -9.752 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.023 -11.991 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.713 -12.004 -5.375 1.00 0.00 H new ATOM 0 HG SER A 86 -6.011 -12.174 -7.604 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.128 -8.849 -7.808 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.393 -8.384 -8.961 1.00 0.00 C ATOM 1305 C ASP A 87 -4.044 -6.906 -8.833 1.00 0.00 C ATOM 1306 O ASP A 87 -4.933 -6.057 -8.773 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.275 -8.605 -10.178 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.518 -8.493 -11.486 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.413 -9.068 -11.583 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.029 -7.831 -12.414 1.00 0.00 O ATOM 0 H ASP A 87 -5.989 -8.331 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.455 -8.932 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.733 -9.592 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.085 -7.876 -10.170 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.752 -6.596 -8.796 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.312 -5.212 -8.683 1.00 0.00 C ATOM 1317 C ILE A 88 -2.219 -4.553 -10.049 1.00 0.00 C ATOM 1318 O ILE A 88 -1.965 -3.358 -10.145 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.941 -5.091 -7.986 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.090 -6.337 -8.241 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.122 -4.856 -6.497 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.399 -6.086 -8.126 1.00 0.00 C ATOM 0 H ILE A 88 -1.997 -7.280 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.062 -4.705 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.416 -4.234 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.375 -7.114 -7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.310 -6.720 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.145 -4.773 -6.020 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.682 -3.934 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.669 -5.692 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.940 -7.012 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.698 -5.332 -8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.632 -5.732 -7.122 1.00 0.00 H new ATOM 1334 N THR A 89 -2.410 -5.339 -11.104 1.00 0.00 N ATOM 1335 CA THR A 89 -2.335 -4.822 -12.465 1.00 0.00 C ATOM 1336 C THR A 89 -3.140 -3.536 -12.621 1.00 0.00 C ATOM 1337 O THR A 89 -2.607 -2.511 -13.040 1.00 0.00 O ATOM 1338 CB THR A 89 -2.841 -5.856 -13.487 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.304 -7.149 -13.185 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.447 -5.457 -14.902 1.00 0.00 C ATOM 0 H THR A 89 -2.618 -6.336 -11.042 1.00 0.00 H new ATOM 0 HA THR A 89 -1.284 -4.610 -12.659 1.00 0.00 H new ATOM 0 HB THR A 89 -3.929 -5.891 -13.425 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.325 -7.102 -13.171 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.816 -6.203 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.882 -4.486 -15.141 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.361 -5.396 -14.974 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.429 -3.599 -12.300 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.302 -2.447 -12.421 1.00 0.00 C ATOM 1350 C ALA A 90 -4.872 -1.300 -11.505 1.00 0.00 C ATOM 1351 O ALA A 90 -4.814 -0.146 -11.930 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.741 -2.845 -12.139 1.00 0.00 C ATOM 0 H ALA A 90 -4.889 -4.441 -11.953 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.226 -2.085 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.385 -1.971 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.055 -3.606 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.817 -3.244 -11.127 1.00 0.00 H new ATOM 1358 N SER A 91 -4.565 -1.623 -10.250 1.00 0.00 N ATOM 1359 CA SER A 91 -4.134 -0.616 -9.282 1.00 0.00 C ATOM 1360 C SER A 91 -2.837 0.045 -9.720 1.00 0.00 C ATOM 1361 O SER A 91 -2.633 1.244 -9.511 1.00 0.00 O ATOM 1362 CB SER A 91 -3.951 -1.247 -7.901 1.00 0.00 C ATOM 1363 OG SER A 91 -4.196 -2.642 -7.939 1.00 0.00 O ATOM 0 H SER A 91 -4.607 -2.573 -9.880 1.00 0.00 H new ATOM 0 HA SER A 91 -4.910 0.147 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.937 -1.063 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.629 -0.775 -7.190 1.00 0.00 H new ATOM 0 HG SER A 91 -4.070 -3.021 -7.044 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.964 -0.738 -10.330 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.696 -0.207 -10.788 1.00 0.00 C ATOM 1371 C VAL A 92 -0.885 0.633 -12.028 1.00 0.00 C ATOM 1372 O VAL A 92 -0.407 1.751 -12.084 1.00 0.00 O ATOM 1373 CB VAL A 92 0.358 -1.288 -11.080 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.563 -0.660 -11.781 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.781 -1.987 -9.796 1.00 0.00 C ATOM 0 H VAL A 92 -2.108 -1.730 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.323 0.401 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.078 -2.038 -11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.307 -1.430 -11.986 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.243 -0.206 -12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.000 0.105 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.527 -2.748 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.207 -1.257 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.087 -2.457 -9.335 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.582 0.097 -13.022 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.819 0.821 -14.244 1.00 0.00 C ATOM 1387 C ASN A 93 -2.212 2.256 -13.938 1.00 0.00 C ATOM 1388 O ASN A 93 -1.742 3.200 -14.578 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.890 0.120 -15.058 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.080 1.008 -15.373 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.061 1.038 -14.628 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.999 1.734 -16.481 1.00 0.00 N ATOM 0 H ASN A 93 -1.989 -0.838 -12.997 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.902 0.844 -14.833 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.453 -0.235 -15.991 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.235 -0.758 -14.513 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.769 2.349 -16.745 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.167 1.677 -17.068 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.062 2.409 -12.933 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.508 3.723 -12.518 1.00 0.00 C ATOM 1401 C CYS A 94 -2.341 4.538 -11.979 1.00 0.00 C ATOM 1402 O CYS A 94 -2.156 5.691 -12.364 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.602 3.615 -11.459 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.784 4.996 -11.499 1.00 0.00 S ATOM 0 H CYS A 94 -3.454 1.638 -12.393 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.918 4.230 -13.391 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.143 2.679 -11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.140 3.570 -10.473 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.556 3.938 -11.084 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.415 4.642 -10.511 1.00 0.00 C ATOM 1411 C ALA A 95 0.666 4.859 -11.555 1.00 0.00 C ATOM 1412 O ALA A 95 1.307 5.901 -11.577 1.00 0.00 O ATOM 1413 CB ALA A 95 0.142 3.916 -9.312 1.00 0.00 C ATOM 0 H ALA A 95 -1.687 2.984 -10.747 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.769 5.616 -10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.991 4.471 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.629 3.832 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.468 2.919 -9.609 1.00 0.00 H new ATOM 1419 N LYS A 96 0.847 3.881 -12.438 1.00 0.00 N ATOM 1420 CA LYS A 96 1.825 4.002 -13.501 1.00 0.00 C ATOM 1421 C LYS A 96 1.568 5.331 -14.194 1.00 0.00 C ATOM 1422 O LYS A 96 2.483 6.059 -14.587 1.00 0.00 O ATOM 1423 CB LYS A 96 1.685 2.849 -14.497 1.00 0.00 C ATOM 1424 CG LYS A 96 2.968 2.535 -15.250 1.00 0.00 C ATOM 1425 CD LYS A 96 2.701 1.664 -16.466 1.00 0.00 C ATOM 1426 CE LYS A 96 3.041 2.392 -17.757 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.569 1.645 -18.957 1.00 0.00 N ATOM 0 H LYS A 96 0.329 3.002 -12.434 1.00 0.00 H new ATOM 0 HA LYS A 96 2.837 3.962 -13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.359 1.956 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.903 3.094 -15.215 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.443 3.464 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.667 2.028 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.290 0.750 -16.397 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.652 1.367 -16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.588 3.383 -17.745 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.120 2.535 -17.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.820 2.174 -19.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.021 0.709 -18.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.536 1.530 -18.910 1.00 0.00 H new ATOM 1441 N LYS A 97 0.278 5.643 -14.275 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.192 6.890 -14.854 1.00 0.00 C ATOM 1443 C LYS A 97 -0.067 8.011 -13.828 1.00 0.00 C ATOM 1444 O LYS A 97 0.187 9.163 -14.179 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.645 6.755 -15.315 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.913 7.386 -16.672 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.016 6.652 -17.419 1.00 0.00 C ATOM 1448 CE LYS A 97 -4.289 7.479 -17.485 1.00 0.00 C ATOM 1449 NZ LYS A 97 -4.621 7.878 -18.881 1.00 0.00 N ATOM 0 H LYS A 97 -0.469 5.035 -13.940 1.00 0.00 H new ATOM 0 HA LYS A 97 0.422 7.128 -15.723 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.908 5.698 -15.357 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.297 7.217 -14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.194 8.431 -16.540 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.000 7.375 -17.267 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.680 6.419 -18.429 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.223 5.703 -16.924 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.116 6.906 -17.065 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.174 8.372 -16.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.496 8.440 -18.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.843 8.446 -19.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.756 7.026 -19.463 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.234 7.659 -12.552 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.124 8.631 -11.474 1.00 0.00 C ATOM 1465 C ILE A 98 1.279 9.233 -11.437 1.00 0.00 C ATOM 1466 O ILE A 98 1.447 10.448 -11.375 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.462 8.016 -10.099 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.950 7.656 -10.034 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.104 8.987 -8.981 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.338 6.897 -8.782 1.00 0.00 C ATOM 0 H ILE A 98 -0.445 6.710 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.853 9.416 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 98 0.125 7.107 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.539 8.571 -10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.208 7.056 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.348 8.539 -8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.963 9.208 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.670 9.910 -9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.405 6.677 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.776 5.964 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.112 7.503 -7.905 1.00 0.00 H new ATOM 1482 N VAL A 99 2.278 8.358 -11.470 1.00 0.00 N ATOM 1483 CA VAL A 99 3.675 8.769 -11.437 1.00 0.00 C ATOM 1484 C VAL A 99 4.139 9.305 -12.791 1.00 0.00 C ATOM 1485 O VAL A 99 5.107 10.063 -12.864 1.00 0.00 O ATOM 1486 CB VAL A 99 4.585 7.598 -11.020 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.646 6.544 -12.114 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.977 8.102 -10.677 1.00 0.00 C ATOM 0 H VAL A 99 2.142 7.348 -11.520 1.00 0.00 H new ATOM 0 HA VAL A 99 3.750 9.568 -10.700 1.00 0.00 H new ATOM 0 HB VAL A 99 4.160 7.134 -10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.294 5.727 -11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.644 6.159 -12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.043 6.989 -13.026 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.606 7.262 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.410 8.594 -11.548 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.914 8.812 -9.852 1.00 0.00 H new ATOM 1498 N SER A 100 3.447 8.919 -13.864 1.00 0.00 N ATOM 1499 CA SER A 100 3.808 9.378 -15.204 1.00 0.00 C ATOM 1500 C SER A 100 3.064 10.662 -15.567 1.00 0.00 C ATOM 1501 O SER A 100 3.309 11.255 -16.618 1.00 0.00 O ATOM 1502 CB SER A 100 3.506 8.293 -16.238 1.00 0.00 C ATOM 1503 OG SER A 100 4.297 8.464 -17.401 1.00 0.00 O ATOM 0 H SER A 100 2.641 8.295 -13.832 1.00 0.00 H new ATOM 0 HA SER A 100 4.878 9.588 -15.207 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.697 7.311 -15.806 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.450 8.324 -16.505 1.00 0.00 H new ATOM 0 HG SER A 100 4.292 9.408 -17.664 1.00 0.00 H new ATOM 1509 N ASP A 101 2.153 11.085 -14.695 1.00 0.00 N ATOM 1510 CA ASP A 101 1.373 12.297 -14.934 1.00 0.00 C ATOM 1511 C ASP A 101 1.398 13.226 -13.724 1.00 0.00 C ATOM 1512 O ASP A 101 1.003 14.388 -13.817 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.072 11.939 -15.286 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.597 12.741 -16.460 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.660 13.983 -16.350 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.944 12.126 -17.490 1.00 0.00 O ATOM 0 H ASP A 101 1.937 10.609 -13.819 1.00 0.00 H new ATOM 0 HA ASP A 101 1.829 12.822 -15.773 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.133 10.876 -15.519 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.708 12.112 -14.418 1.00 0.00 H new ATOM 1521 N GLY A 102 1.853 12.707 -12.589 1.00 0.00 N ATOM 1522 CA GLY A 102 1.907 13.508 -11.380 1.00 0.00 C ATOM 1523 C GLY A 102 3.231 13.391 -10.653 1.00 0.00 C ATOM 1524 O GLY A 102 4.291 13.630 -11.233 1.00 0.00 O ATOM 0 H GLY A 102 2.185 11.748 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.729 14.553 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.103 13.202 -10.711 1.00 0.00 H new ATOM 1528 N ASN A 103 3.171 13.027 -9.375 1.00 0.00 N ATOM 1529 CA ASN A 103 4.372 12.883 -8.560 1.00 0.00 C ATOM 1530 C ASN A 103 4.690 11.414 -8.308 1.00 0.00 C ATOM 1531 O ASN A 103 3.807 10.558 -8.363 1.00 0.00 O ATOM 1532 CB ASN A 103 4.199 13.614 -7.227 1.00 0.00 C ATOM 1533 CG ASN A 103 4.851 14.982 -7.230 1.00 0.00 C ATOM 1534 OD1 ASN A 103 6.076 15.099 -7.266 1.00 0.00 O ATOM 1535 ND2 ASN A 103 4.034 16.028 -7.191 1.00 0.00 N ATOM 0 H ASN A 103 2.301 12.826 -8.881 1.00 0.00 H new ATOM 0 HA ASN A 103 5.205 13.326 -9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.136 13.721 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.629 13.011 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.416 16.974 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.024 15.886 -7.162 1.00 0.00 H new ATOM 1542 N GLY A 104 5.961 11.131 -8.042 1.00 0.00 N ATOM 1543 CA GLY A 104 6.389 9.768 -7.791 1.00 0.00 C ATOM 1544 C GLY A 104 5.785 9.174 -6.534 1.00 0.00 C ATOM 1545 O GLY A 104 4.579 8.949 -6.463 1.00 0.00 O ATOM 0 H GLY A 104 6.706 11.826 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.119 9.146 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.476 9.744 -7.710 1.00 0.00 H new ATOM 1549 N MET A 105 6.630 8.923 -5.539 1.00 0.00 N ATOM 1550 CA MET A 105 6.189 8.351 -4.277 1.00 0.00 C ATOM 1551 C MET A 105 5.703 9.446 -3.344 1.00 0.00 C ATOM 1552 O MET A 105 5.296 9.181 -2.213 1.00 0.00 O ATOM 1553 CB MET A 105 7.339 7.591 -3.615 1.00 0.00 C ATOM 1554 CG MET A 105 8.337 7.010 -4.604 1.00 0.00 C ATOM 1555 SD MET A 105 7.557 5.966 -5.847 1.00 0.00 S ATOM 1556 CE MET A 105 6.466 4.994 -4.817 1.00 0.00 C ATOM 0 H MET A 105 7.632 9.110 -5.586 1.00 0.00 H new ATOM 0 HA MET A 105 5.369 7.662 -4.477 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.863 8.263 -2.936 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.928 6.783 -3.010 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.867 7.824 -5.099 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.082 6.428 -4.062 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.379 3.988 -5.227 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.871 4.941 -3.807 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.481 5.460 -4.789 1.00 0.00 H new ATOM 1566 N ASN A 106 5.766 10.680 -3.823 1.00 0.00 N ATOM 1567 CA ASN A 106 5.353 11.828 -3.037 1.00 0.00 C ATOM 1568 C ASN A 106 3.833 11.930 -2.965 1.00 0.00 C ATOM 1569 O ASN A 106 3.282 12.368 -1.954 1.00 0.00 O ATOM 1570 CB ASN A 106 5.937 13.100 -3.649 1.00 0.00 C ATOM 1571 CG ASN A 106 7.248 12.846 -4.367 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.306 12.846 -5.596 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.310 12.626 -3.600 1.00 0.00 N ATOM 0 H ASN A 106 6.102 10.910 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 106 5.727 11.705 -2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.219 13.526 -4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.093 13.839 -2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.219 12.448 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.216 12.635 -2.584 1.00 0.00 H new ATOM 1580 N ALA A 107 3.159 11.531 -4.041 1.00 0.00 N ATOM 1581 CA ALA A 107 1.702 11.585 -4.095 1.00 0.00 C ATOM 1582 C ALA A 107 1.080 10.897 -2.885 1.00 0.00 C ATOM 1583 O ALA A 107 0.196 11.450 -2.230 1.00 0.00 O ATOM 1584 CB ALA A 107 1.198 10.949 -5.382 1.00 0.00 C ATOM 0 H ALA A 107 3.599 11.167 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 107 1.402 12.633 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.109 10.996 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.606 11.487 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.517 9.908 -5.422 1.00 0.00 H new ATOM 1590 N TRP A 108 1.544 9.686 -2.600 1.00 0.00 N ATOM 1591 CA TRP A 108 1.032 8.918 -1.474 1.00 0.00 C ATOM 1592 C TRP A 108 1.648 9.405 -0.164 1.00 0.00 C ATOM 1593 O TRP A 108 2.856 9.624 -0.070 1.00 0.00 O ATOM 1594 CB TRP A 108 1.294 7.430 -1.698 1.00 0.00 C ATOM 1595 CG TRP A 108 0.649 6.918 -2.954 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.646 6.508 -3.102 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.262 6.779 -4.241 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.872 6.119 -4.401 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.283 6.276 -5.121 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.543 7.029 -4.735 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.548 6.021 -6.467 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.805 6.776 -6.067 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.813 6.278 -6.921 1.00 0.00 C ATOM 0 H TRP A 108 2.274 9.215 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.045 9.067 -1.402 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.369 7.257 -1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.919 6.865 -0.844 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.384 6.492 -2.314 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.757 5.770 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.316 7.414 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.216 5.635 -7.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.794 6.966 -6.458 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.051 6.093 -7.958 1.00 0.00 H new ATOM 1614 N VAL A 109 0.788 9.608 0.830 1.00 0.00 N ATOM 1615 CA VAL A 109 1.202 10.116 2.139 1.00 0.00 C ATOM 1616 C VAL A 109 1.879 9.071 3.019 1.00 0.00 C ATOM 1617 O VAL A 109 2.634 9.422 3.925 1.00 0.00 O ATOM 1618 CB VAL A 109 0.014 10.672 2.916 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.407 11.935 3.666 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.178 10.927 2.004 1.00 0.00 C ATOM 0 H VAL A 109 -0.213 9.426 0.754 1.00 0.00 H new ATOM 0 HA VAL A 109 1.926 10.899 1.913 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.288 9.921 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.455 12.316 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.211 11.707 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.747 12.689 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.007 11.323 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.900 11.648 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.481 9.993 1.532 1.00 0.00 H new ATOM 1630 N ALA A 110 1.620 7.799 2.765 1.00 0.00 N ATOM 1631 CA ALA A 110 2.227 6.737 3.563 1.00 0.00 C ATOM 1632 C ALA A 110 3.721 6.648 3.298 1.00 0.00 C ATOM 1633 O ALA A 110 4.488 6.184 4.142 1.00 0.00 O ATOM 1634 CB ALA A 110 1.553 5.405 3.281 1.00 0.00 C ATOM 0 H ALA A 110 1.001 7.475 2.022 1.00 0.00 H new ATOM 0 HA ALA A 110 2.083 6.979 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.019 4.626 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.494 5.473 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.662 5.159 2.225 1.00 0.00 H new ATOM 1640 N TRP A 111 4.127 7.115 2.128 1.00 0.00 N ATOM 1641 CA TRP A 111 5.535 7.108 1.765 1.00 0.00 C ATOM 1642 C TRP A 111 6.208 8.371 2.287 1.00 0.00 C ATOM 1643 O TRP A 111 7.361 8.338 2.711 1.00 0.00 O ATOM 1644 CB TRP A 111 5.717 6.974 0.250 1.00 0.00 C ATOM 1645 CG TRP A 111 7.155 6.973 -0.180 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.925 5.879 -0.457 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.996 8.116 -0.383 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.191 6.272 -0.818 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.260 7.639 -0.781 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.803 9.496 -0.268 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.323 8.493 -1.063 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.860 10.342 -0.549 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.106 9.838 -0.942 1.00 0.00 C ATOM 0 H TRP A 111 3.506 7.501 1.417 1.00 0.00 H new ATOM 0 HA TRP A 111 6.009 6.241 2.226 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.245 6.050 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.198 7.795 -0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.588 4.855 -0.400 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.956 5.647 -1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.846 9.894 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.285 8.107 -1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.722 11.410 -0.464 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.912 10.525 -1.154 1.00 0.00 H new ATOM 1664 N ARG A 112 5.475 9.485 2.276 1.00 0.00 N ATOM 1665 CA ARG A 112 5.998 10.751 2.775 1.00 0.00 C ATOM 1666 C ARG A 112 5.632 10.945 4.243 1.00 0.00 C ATOM 1667 O ARG A 112 5.202 12.026 4.649 1.00 0.00 O ATOM 1668 CB ARG A 112 5.437 11.904 1.961 1.00 0.00 C ATOM 1669 CG ARG A 112 6.402 12.450 0.922 1.00 0.00 C ATOM 1670 CD ARG A 112 6.009 13.849 0.477 1.00 0.00 C ATOM 1671 NE ARG A 112 6.950 14.860 0.952 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.829 15.493 2.115 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.810 15.220 2.919 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.728 16.399 2.475 1.00 0.00 N ATOM 0 H ARG A 112 4.518 9.533 1.926 1.00 0.00 H new ATOM 0 HA ARG A 112 7.084 10.731 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.527 11.573 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.153 12.710 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.411 12.468 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.423 11.785 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.960 13.883 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.011 14.080 0.848 1.00 0.00 H new ATOM 0 HE ARG A 112 7.745 15.094 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.117 14.523 2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.719 15.707 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.513 16.611 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.634 16.884 3.367 1.00 0.00 H new ATOM 1688 N ASN A 113 5.809 9.900 5.033 1.00 0.00 N ATOM 1689 CA ASN A 113 5.498 9.965 6.456 1.00 0.00 C ATOM 1690 C ASN A 113 6.311 8.947 7.244 1.00 0.00 C ATOM 1691 O ASN A 113 7.111 9.307 8.108 1.00 0.00 O ATOM 1692 CB ASN A 113 4.005 9.726 6.686 1.00 0.00 C ATOM 1693 CG ASN A 113 3.262 11.002 7.031 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.176 11.388 8.197 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.720 11.664 6.016 1.00 0.00 N ATOM 0 H ASN A 113 6.165 8.998 4.717 1.00 0.00 H new ATOM 0 HA ASN A 113 5.761 10.962 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.568 9.285 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.875 9.004 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.208 12.529 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.816 11.307 5.065 1.00 0.00 H new ATOM 1702 N ARG A 114 6.091 7.677 6.944 1.00 0.00 N ATOM 1703 CA ARG A 114 6.791 6.599 7.626 1.00 0.00 C ATOM 1704 C ARG A 114 7.925 6.042 6.774 1.00 0.00 C ATOM 1705 O ARG A 114 8.651 5.146 7.203 1.00 0.00 O ATOM 1706 CB ARG A 114 5.809 5.482 7.970 1.00 0.00 C ATOM 1707 CG ARG A 114 5.170 5.631 9.340 1.00 0.00 C ATOM 1708 CD ARG A 114 3.860 6.400 9.263 1.00 0.00 C ATOM 1709 NE ARG A 114 3.285 6.633 10.585 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.206 7.832 11.155 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.666 8.902 10.522 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.667 7.960 12.360 1.00 0.00 N ATOM 0 H ARG A 114 5.431 7.366 6.231 1.00 0.00 H new ATOM 0 HA ARG A 114 7.224 7.005 8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.024 5.455 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.330 4.526 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.990 4.645 9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.858 6.148 10.009 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.029 7.356 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.149 5.845 8.651 1.00 0.00 H new ATOM 0 HE ARG A 114 2.923 5.831 11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.082 8.807 9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.604 9.820 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.313 7.139 12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.607 8.880 12.797 1.00 0.00 H new ATOM 1726 N CYS A 115 8.065 6.564 5.562 1.00 0.00 N ATOM 1727 CA CYS A 115 9.106 6.097 4.655 1.00 0.00 C ATOM 1728 C CYS A 115 10.160 7.167 4.397 1.00 0.00 C ATOM 1729 O CYS A 115 11.358 6.882 4.427 1.00 0.00 O ATOM 1730 CB CYS A 115 8.493 5.654 3.331 1.00 0.00 C ATOM 1731 SG CYS A 115 9.655 4.760 2.254 1.00 0.00 S ATOM 0 H CYS A 115 7.475 7.306 5.186 1.00 0.00 H new ATOM 0 HA CYS A 115 9.597 5.251 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.634 5.015 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.121 6.531 2.801 1.00 0.00 H new ATOM 1736 N LYS A 116 9.716 8.389 4.128 1.00 0.00 N ATOM 1737 CA LYS A 116 10.631 9.490 3.851 1.00 0.00 C ATOM 1738 C LYS A 116 11.636 9.672 4.983 1.00 0.00 C ATOM 1739 O LYS A 116 11.358 10.353 5.971 1.00 0.00 O ATOM 1740 CB LYS A 116 9.848 10.788 3.637 1.00 0.00 C ATOM 1741 CG LYS A 116 10.677 11.902 3.018 1.00 0.00 C ATOM 1742 CD LYS A 116 9.853 12.739 2.053 1.00 0.00 C ATOM 1743 CE LYS A 116 10.712 13.766 1.334 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.059 13.332 -0.048 1.00 0.00 N ATOM 0 H LYS A 116 8.729 8.643 4.096 1.00 0.00 H new ATOM 0 HA LYS A 116 11.181 9.247 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.991 10.584 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.455 11.128 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.076 12.541 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.530 11.473 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.374 12.088 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.057 13.246 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.182 14.718 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.627 13.935 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.645 14.060 -0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.587 12.437 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.187 13.195 -0.598 1.00 0.00 H new ATOM 1758 N GLY A 117 12.809 9.064 4.830 1.00 0.00 N ATOM 1759 CA GLY A 117 13.839 9.179 5.844 1.00 0.00 C ATOM 1760 C GLY A 117 14.420 7.841 6.256 1.00 0.00 C ATOM 1761 O GLY A 117 15.199 7.768 7.207 1.00 0.00 O ATOM 0 H GLY A 117 13.063 8.495 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.640 9.816 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.423 9.673 6.722 1.00 0.00 H new ATOM 1765 N THR A 118 14.050 6.776 5.547 1.00 0.00 N ATOM 1766 CA THR A 118 14.552 5.441 5.857 1.00 0.00 C ATOM 1767 C THR A 118 15.346 4.870 4.683 1.00 0.00 C ATOM 1768 O THR A 118 15.967 5.615 3.926 1.00 0.00 O ATOM 1769 CB THR A 118 13.400 4.481 6.210 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.453 4.434 5.137 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.703 4.919 7.490 1.00 0.00 C ATOM 0 H THR A 118 13.406 6.812 4.757 1.00 0.00 H new ATOM 0 HA THR A 118 15.210 5.535 6.721 1.00 0.00 H new ATOM 0 HB THR A 118 13.820 3.487 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.083 5.329 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.893 4.226 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.420 4.924 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.296 5.922 7.358 1.00 0.00 H new ATOM 1779 N ASP A 119 15.325 3.546 4.536 1.00 0.00 N ATOM 1780 CA ASP A 119 16.048 2.890 3.452 1.00 0.00 C ATOM 1781 C ASP A 119 15.200 1.825 2.766 1.00 0.00 C ATOM 1782 O ASP A 119 14.970 0.748 3.316 1.00 0.00 O ATOM 1783 CB ASP A 119 17.325 2.275 3.971 1.00 0.00 C ATOM 1784 CG ASP A 119 18.423 2.242 2.924 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.135 3.258 2.779 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.570 1.200 2.252 1.00 0.00 O ATOM 0 H ASP A 119 14.817 2.911 5.152 1.00 0.00 H new ATOM 0 HA ASP A 119 16.287 3.653 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.670 2.840 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.123 1.260 4.312 1.00 0.00 H new ATOM 1791 N VAL A 120 14.744 2.137 1.558 1.00 0.00 N ATOM 1792 CA VAL A 120 13.925 1.219 0.779 1.00 0.00 C ATOM 1793 C VAL A 120 14.784 0.119 0.171 1.00 0.00 C ATOM 1794 O VAL A 120 14.331 -1.012 -0.002 1.00 0.00 O ATOM 1795 CB VAL A 120 13.171 1.953 -0.346 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.205 2.972 0.236 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.149 2.622 -1.301 1.00 0.00 C ATOM 0 H VAL A 120 14.930 3.027 1.095 1.00 0.00 H new ATOM 0 HA VAL A 120 13.196 0.779 1.459 1.00 0.00 H new ATOM 0 HB VAL A 120 12.595 1.218 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.681 3.481 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.481 2.464 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.759 3.703 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.596 3.135 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.755 3.344 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.797 1.867 -1.746 1.00 0.00 H new ATOM 1807 N GLN A 121 16.034 0.456 -0.137 1.00 0.00 N ATOM 1808 CA GLN A 121 16.961 -0.511 -0.707 1.00 0.00 C ATOM 1809 C GLN A 121 17.125 -1.681 0.250 1.00 0.00 C ATOM 1810 O GLN A 121 17.451 -2.797 -0.156 1.00 0.00 O ATOM 1811 CB GLN A 121 18.317 0.142 -0.981 1.00 0.00 C ATOM 1812 CG GLN A 121 18.928 -0.262 -2.313 1.00 0.00 C ATOM 1813 CD GLN A 121 18.251 0.410 -3.492 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.191 1.637 -3.572 1.00 0.00 O ATOM 1815 NE2 GLN A 121 17.737 -0.394 -4.416 1.00 0.00 N ATOM 0 H GLN A 121 16.425 1.388 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 121 16.559 -0.873 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.201 1.226 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.007 -0.122 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.988 -0.008 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.859 -1.344 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.810 -1.406 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.270 0.000 -5.232 1.00 0.00 H new ATOM 1824 N ALA A 122 16.877 -1.410 1.528 1.00 0.00 N ATOM 1825 CA ALA A 122 16.975 -2.426 2.563 1.00 0.00 C ATOM 1826 C ALA A 122 15.634 -3.125 2.749 1.00 0.00 C ATOM 1827 O ALA A 122 15.571 -4.238 3.271 1.00 0.00 O ATOM 1828 CB ALA A 122 17.439 -1.806 3.873 1.00 0.00 C ATOM 0 H ALA A 122 16.605 -0.488 1.870 1.00 0.00 H new ATOM 0 HA ALA A 122 17.711 -3.168 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.507 -2.580 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.418 -1.348 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.725 -1.046 4.189 1.00 0.00 H new ATOM 1834 N TRP A 123 14.560 -2.467 2.309 1.00 0.00 N ATOM 1835 CA TRP A 123 13.220 -3.040 2.423 1.00 0.00 C ATOM 1836 C TRP A 123 13.102 -4.316 1.596 1.00 0.00 C ATOM 1837 O TRP A 123 12.193 -5.120 1.804 1.00 0.00 O ATOM 1838 CB TRP A 123 12.160 -2.031 1.975 1.00 0.00 C ATOM 1839 CG TRP A 123 11.645 -1.166 3.086 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.431 0.180 3.039 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.275 -1.583 4.409 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.956 0.624 4.248 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.853 -0.443 5.102 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.259 -2.806 5.075 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.424 -0.500 6.420 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.833 -2.860 6.383 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.420 -1.710 7.044 1.00 0.00 C ATOM 0 H TRP A 123 14.592 -1.545 1.874 1.00 0.00 H new ATOM 0 HA TRP A 123 13.052 -3.286 3.471 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.582 -1.395 1.197 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.324 -2.569 1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.609 0.805 2.177 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.719 1.590 4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.578 -3.705 4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.102 0.392 6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.820 -3.807 6.901 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.090 -1.777 8.070 1.00 0.00 H new ATOM 1858 N ILE A 124 14.030 -4.498 0.661 1.00 0.00 N ATOM 1859 CA ILE A 124 14.035 -5.679 -0.195 1.00 0.00 C ATOM 1860 C ILE A 124 15.380 -6.394 -0.125 1.00 0.00 C ATOM 1861 O ILE A 124 15.671 -7.276 -0.933 1.00 0.00 O ATOM 1862 CB ILE A 124 13.732 -5.316 -1.661 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.599 -4.138 -2.110 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.256 -4.993 -1.833 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.111 -4.271 -3.528 1.00 0.00 C ATOM 0 H ILE A 124 14.789 -3.842 0.477 1.00 0.00 H new ATOM 0 HA ILE A 124 13.251 -6.342 0.172 1.00 0.00 H new ATOM 0 HB ILE A 124 13.970 -6.175 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.020 -3.218 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.448 -4.043 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.058 -4.739 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.659 -5.860 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.992 -4.148 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.718 -3.401 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.717 -5.173 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.267 -4.335 -4.215 1.00 0.00 H new ATOM 1877 N ARG A 125 16.196 -6.002 0.848 1.00 0.00 N ATOM 1878 CA ARG A 125 17.515 -6.599 1.032 1.00 0.00 C ATOM 1879 C ARG A 125 17.398 -8.068 1.429 1.00 0.00 C ATOM 1880 O ARG A 125 17.289 -8.394 2.612 1.00 0.00 O ATOM 1881 CB ARG A 125 18.301 -5.831 2.095 1.00 0.00 C ATOM 1882 CG ARG A 125 19.809 -5.954 1.945 1.00 0.00 C ATOM 1883 CD ARG A 125 20.517 -4.682 2.381 1.00 0.00 C ATOM 1884 NE ARG A 125 21.937 -4.702 2.040 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.633 -3.618 1.709 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.040 -2.431 1.675 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.921 -3.719 1.413 1.00 0.00 N ATOM 0 H ARG A 125 15.967 -5.272 1.523 1.00 0.00 H new ATOM 0 HA ARG A 125 18.048 -6.540 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.025 -4.778 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.012 -6.194 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.168 -6.794 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.056 -6.171 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.043 -3.822 1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.404 -4.555 3.458 1.00 0.00 H new ATOM 0 HE ARG A 125 22.423 -5.599 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.049 -2.349 1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.575 -1.601 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.380 -4.629 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.453 -2.886 1.159 1.00 0.00 H new ATOM 1901 N GLY A 126 17.423 -8.950 0.434 1.00 0.00 N ATOM 1902 CA GLY A 126 17.320 -10.372 0.700 1.00 0.00 C ATOM 1903 C GLY A 126 16.150 -11.017 -0.019 1.00 0.00 C ATOM 1904 O GLY A 126 15.960 -12.231 0.058 1.00 0.00 O ATOM 0 H GLY A 126 17.513 -8.704 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.244 -10.863 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.214 -10.530 1.773 1.00 0.00 H new ATOM 1908 N CYS A 127 15.364 -10.203 -0.717 1.00 0.00 N ATOM 1909 CA CYS A 127 14.205 -10.696 -1.449 1.00 0.00 C ATOM 1910 C CYS A 127 14.618 -11.607 -2.601 1.00 0.00 C ATOM 1911 O CYS A 127 15.773 -12.026 -2.693 1.00 0.00 O ATOM 1912 CB CYS A 127 13.387 -9.531 -1.967 1.00 0.00 C ATOM 1913 SG CYS A 127 12.084 -8.970 -0.827 1.00 0.00 S ATOM 0 H CYS A 127 15.510 -9.196 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 127 13.597 -11.285 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.056 -8.696 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.928 -9.816 -2.914 1.00 0.00 H new ATOM 1918 N ARG A 128 13.668 -11.909 -3.480 1.00 0.00 N ATOM 1919 CA ARG A 128 13.932 -12.769 -4.627 1.00 0.00 C ATOM 1920 C ARG A 128 13.390 -12.147 -5.910 1.00 0.00 C ATOM 1921 O ARG A 128 12.346 -12.555 -6.419 1.00 0.00 O ATOM 1922 CB ARG A 128 13.306 -14.149 -4.411 1.00 0.00 C ATOM 1923 CG ARG A 128 13.890 -15.229 -5.307 1.00 0.00 C ATOM 1924 CD ARG A 128 14.505 -16.357 -4.494 1.00 0.00 C ATOM 1925 NE ARG A 128 14.837 -17.511 -5.322 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.143 -18.709 -4.831 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.158 -18.908 -3.520 1.00 0.00 N ATOM 1928 NH2 ARG A 128 15.433 -19.710 -5.652 1.00 0.00 N ATOM 0 H ARG A 128 12.708 -11.570 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 128 15.012 -12.879 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.441 -14.441 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.232 -14.083 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.108 -15.629 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.648 -14.793 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.406 -15.996 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.809 -16.661 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 128 14.834 -17.393 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.935 -18.141 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.393 -19.828 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.422 -19.562 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.667 -20.628 -5.274 1.00 0.00 H new ATOM 1942 N LEU A 129 14.107 -11.153 -6.426 1.00 0.00 N ATOM 1943 CA LEU A 129 13.701 -10.471 -7.648 1.00 0.00 C ATOM 1944 C LEU A 129 14.563 -10.907 -8.828 1.00 0.00 C ATOM 1945 O LEU A 129 15.783 -11.091 -8.633 1.00 0.00 O ATOM 1946 CB LEU A 129 13.796 -8.955 -7.465 1.00 0.00 C ATOM 1947 CG LEU A 129 12.816 -8.362 -6.452 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.497 -7.291 -5.614 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.597 -7.794 -7.161 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.011 -11.063 -9.938 1.00 0.00 O ATOM 0 H LEU A 129 14.973 -10.803 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 129 12.666 -10.742 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 129 14.811 -8.705 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.630 -8.477 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 129 12.485 -9.158 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.784 -6.881 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.338 -7.729 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.858 -6.494 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.910 -7.376 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.910 -7.011 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.096 -8.587 -7.716 1.00 0.00 H new TER 1962 LEU A 129