USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 93 AAR HA : A 93 AAR CA : A 93 AAR N :(H bumps) USER MOD NoAdj-H: A 93 AAR H2 : A 93 AAR NT : A 93 AAR C :(H bumps) USER MOD NoAdj-H: A 93 AAR H2 : A 93 AAR N : A 92 ARG C :(H bumps) USER MOD Set 1.1: A 43 ASN : amide:sc= -0.473 K(o=-4.6,f=-9.1!) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -4.09 K(o=-4.6,f=-10!) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.15 K(o=-1.2,f=0) USER MOD Single : A 10 SER OG : rot -120:sc= -1.63! USER MOD Single : A 11 TYR OH : rot 161:sc= -0.737! USER MOD Single : A 15 THR OG1 : rot -179:sc= 0.909 USER MOD Single : A 17 SER OG : rot 149:sc= -0.822! USER MOD Single : A 26 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 28 TYR OH : rot 45:sc= 0.182 USER MOD Single : A 31 TYR OH : rot 15:sc= -0.193 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.7) USER MOD Single : A 44 SER OG : rot -31:sc= 0.23 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 46 GLN : amide:sc= -5.82! K(o=-5.8!,f=-1.3) USER MOD Single : A 50 SER OG : rot 180:sc= 0.448 USER MOD Single : A 52 HIS : no HE2:sc= 0.799 K(o=0.8,f=-2.5!) USER MOD Single : A 54 SER OG : rot -74:sc= 0.423 USER MOD Single : A 55 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=0.19) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 59 ASN : amide:sc= 0.407 K(o=0.41,f=-3.4!) USER MOD Single : A 60 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.33) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.627 USER MOD Single : A 74 THR OG1 : rot 140:sc= 0.859 USER MOD Single : A 78 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.7!) USER MOD Single : A 79 ASN : amide:sc= -0.948 K(o=-0.95,f=-1.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 59:sc= 1.05 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 0.917 -3.194 11.149 1.00 0.00 N HETATM 2 CA PCA A 1 0.985 -2.720 9.756 1.00 0.00 C HETATM 3 CB PCA A 1 -0.274 -1.902 9.450 1.00 0.00 C HETATM 4 CG PCA A 1 -1.031 -1.891 10.745 1.00 0.00 C HETATM 5 CD PCA A 1 -0.123 -2.621 11.715 1.00 0.00 C HETATM 6 OE PCA A 1 -0.153 -2.355 12.920 1.00 0.00 O HETATM 7 C PCA A 1 2.232 -1.873 9.555 1.00 0.00 C HETATM 8 O PCA A 1 2.854 -1.455 10.531 1.00 0.00 O HETATM 0 H2 PCA A 1 0.062 -3.772 11.278 1.00 0.00 H new HETATM 0 HA PCA A 1 1.038 -3.571 9.077 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -0.023 -0.892 9.127 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -0.859 -2.356 8.651 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -1.234 -0.873 11.079 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -1.994 -2.392 10.647 1.00 0.00 H new ATOM 15 N ALA A 2 2.597 -1.633 8.289 1.00 0.00 N ATOM 16 CA ALA A 2 3.782 -0.837 7.956 1.00 0.00 C ATOM 17 C ALA A 2 5.015 -1.406 8.655 1.00 0.00 C ATOM 18 O ALA A 2 5.727 -0.704 9.376 1.00 0.00 O ATOM 19 CB ALA A 2 3.571 0.626 8.329 1.00 0.00 C ATOM 0 H ALA A 2 2.086 -1.981 7.478 1.00 0.00 H new ATOM 0 HA ALA A 2 3.944 -0.888 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.462 1.199 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.716 1.022 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.384 0.705 9.400 1.00 0.00 H new ATOM 25 N GLN A 3 5.252 -2.686 8.419 1.00 0.00 N ATOM 26 CA GLN A 3 6.309 -3.429 9.075 1.00 0.00 C ATOM 27 C GLN A 3 6.361 -4.836 8.503 1.00 0.00 C ATOM 28 O GLN A 3 5.347 -5.533 8.469 1.00 0.00 O ATOM 29 CB GLN A 3 6.055 -3.469 10.580 1.00 0.00 C ATOM 30 CG GLN A 3 6.942 -4.426 11.352 1.00 0.00 C ATOM 31 CD GLN A 3 8.398 -4.009 11.361 1.00 0.00 C ATOM 32 OE1 GLN A 3 8.812 -3.194 12.184 1.00 0.00 O ATOM 33 NE2 GLN A 3 9.194 -4.600 10.487 1.00 0.00 N ATOM 0 H GLN A 3 4.708 -3.242 7.759 1.00 0.00 H new ATOM 0 HA GLN A 3 7.268 -2.940 8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.190 -2.465 10.983 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.014 -3.743 10.751 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.584 -4.496 12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.858 -5.422 10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.811 -5.271 9.821 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.191 -4.386 10.479 1.00 0.00 H new ATOM 42 N ALA A 4 7.543 -5.226 8.041 1.00 0.00 N ATOM 43 CA ALA A 4 7.754 -6.536 7.417 1.00 0.00 C ATOM 44 C ALA A 4 6.784 -6.748 6.255 1.00 0.00 C ATOM 45 O ALA A 4 5.860 -7.558 6.335 1.00 0.00 O ATOM 46 CB ALA A 4 7.620 -7.652 8.447 1.00 0.00 C ATOM 0 H ALA A 4 8.383 -4.649 8.086 1.00 0.00 H new ATOM 0 HA ALA A 4 8.768 -6.563 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.780 -8.615 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.362 -7.513 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.621 -7.627 8.883 1.00 0.00 H new ATOM 52 N LEU A 5 7.003 -6.008 5.178 1.00 0.00 N ATOM 53 CA LEU A 5 6.112 -6.035 4.023 1.00 0.00 C ATOM 54 C LEU A 5 6.633 -7.022 2.992 1.00 0.00 C ATOM 55 O LEU A 5 7.361 -7.957 3.328 1.00 0.00 O ATOM 56 CB LEU A 5 6.002 -4.635 3.382 1.00 0.00 C ATOM 57 CG LEU A 5 5.618 -3.474 4.310 1.00 0.00 C ATOM 58 CD1 LEU A 5 4.435 -3.848 5.191 1.00 0.00 C ATOM 59 CD2 LEU A 5 6.807 -3.027 5.146 1.00 0.00 C ATOM 0 H LEU A 5 7.797 -5.376 5.078 1.00 0.00 H new ATOM 0 HA LEU A 5 5.123 -6.344 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.960 -4.397 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.266 -4.686 2.580 1.00 0.00 H new ATOM 0 HG LEU A 5 5.315 -2.632 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.184 -3.008 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.577 -4.092 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.695 -4.712 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.507 -2.204 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.157 -3.860 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.611 -2.696 4.488 1.00 0.00 H new ATOM 71 N LEU A 6 6.222 -6.827 1.749 1.00 0.00 N ATOM 72 CA LEU A 6 6.804 -7.531 0.619 1.00 0.00 C ATOM 73 C LEU A 6 8.318 -7.357 0.613 1.00 0.00 C ATOM 74 O LEU A 6 8.836 -6.327 1.050 1.00 0.00 O ATOM 75 CB LEU A 6 6.224 -7.000 -0.702 1.00 0.00 C ATOM 76 CG LEU A 6 4.873 -7.581 -1.138 1.00 0.00 C ATOM 77 CD1 LEU A 6 4.960 -9.092 -1.280 1.00 0.00 C ATOM 78 CD2 LEU A 6 3.770 -7.193 -0.167 1.00 0.00 C ATOM 0 H LEU A 6 5.477 -6.178 1.496 1.00 0.00 H new ATOM 0 HA LEU A 6 6.562 -8.590 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.119 -5.918 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.949 -7.190 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 6 4.624 -7.159 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.992 -9.485 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.710 -9.344 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.240 -9.532 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.824 -7.619 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.009 -7.574 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.685 -6.107 -0.128 1.00 0.00 H new ATOM 90 N PRO A 7 9.043 -8.380 0.151 1.00 0.00 N ATOM 91 CA PRO A 7 10.495 -8.324 -0.004 1.00 0.00 C ATOM 92 C PRO A 7 10.947 -7.146 -0.852 1.00 0.00 C ATOM 93 O PRO A 7 10.218 -6.671 -1.721 1.00 0.00 O ATOM 94 CB PRO A 7 10.837 -9.630 -0.728 1.00 0.00 C ATOM 95 CG PRO A 7 9.537 -10.173 -1.204 1.00 0.00 C ATOM 96 CD PRO A 7 8.511 -9.691 -0.233 1.00 0.00 C ATOM 0 HA PRO A 7 10.989 -8.203 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.516 -9.450 -1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.334 -10.332 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.314 -9.825 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.559 -11.262 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.524 -9.613 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.415 -10.359 0.623 1.00 0.00 H new ATOM 104 N ILE A 8 12.177 -6.703 -0.611 1.00 0.00 N ATOM 105 CA ILE A 8 12.752 -5.579 -1.344 1.00 0.00 C ATOM 106 C ILE A 8 12.854 -5.865 -2.839 1.00 0.00 C ATOM 107 O ILE A 8 13.011 -4.949 -3.642 1.00 0.00 O ATOM 108 CB ILE A 8 14.142 -5.158 -0.807 1.00 0.00 C ATOM 109 CG1 ILE A 8 14.875 -6.321 -0.125 1.00 0.00 C ATOM 110 CG2 ILE A 8 13.992 -3.992 0.153 1.00 0.00 C ATOM 111 CD1 ILE A 8 15.165 -7.496 -1.035 1.00 0.00 C ATOM 0 H ILE A 8 12.798 -7.107 0.090 1.00 0.00 H new ATOM 0 HA ILE A 8 12.062 -4.750 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 8 14.748 -4.853 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.816 -5.952 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 8 14.276 -6.668 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.973 -3.700 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.537 -3.149 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.358 -4.288 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.684 -8.272 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.228 -7.895 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.792 -7.168 -1.864 1.00 0.00 H new ATOM 123 N ALA A 9 12.756 -7.135 -3.207 1.00 0.00 N ATOM 124 CA ALA A 9 12.777 -7.520 -4.606 1.00 0.00 C ATOM 125 C ALA A 9 11.433 -7.224 -5.258 1.00 0.00 C ATOM 126 O ALA A 9 11.351 -7.003 -6.466 1.00 0.00 O ATOM 127 CB ALA A 9 13.123 -8.989 -4.753 1.00 0.00 C ATOM 0 H ALA A 9 12.661 -7.913 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 9 13.546 -6.935 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.133 -9.256 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.106 -9.176 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.378 -9.592 -4.233 1.00 0.00 H new ATOM 133 N SER A 10 10.378 -7.211 -4.451 1.00 0.00 N ATOM 134 CA SER A 10 9.041 -6.912 -4.948 1.00 0.00 C ATOM 135 C SER A 10 8.919 -5.444 -5.357 1.00 0.00 C ATOM 136 O SER A 10 8.024 -5.078 -6.122 1.00 0.00 O ATOM 137 CB SER A 10 8.000 -7.256 -3.887 1.00 0.00 C ATOM 138 OG SER A 10 8.118 -8.611 -3.493 1.00 0.00 O ATOM 0 H SER A 10 10.423 -7.404 -3.450 1.00 0.00 H new ATOM 0 HA SER A 10 8.862 -7.522 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.128 -6.607 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.000 -7.071 -4.278 1.00 0.00 H new ATOM 0 HG SER A 10 7.278 -9.080 -3.680 1.00 0.00 H new ATOM 144 N TYR A 11 9.814 -4.604 -4.842 1.00 0.00 N ATOM 145 CA TYR A 11 9.840 -3.197 -5.226 1.00 0.00 C ATOM 146 C TYR A 11 11.104 -2.879 -6.015 1.00 0.00 C ATOM 147 O TYR A 11 11.444 -1.710 -6.195 1.00 0.00 O ATOM 148 CB TYR A 11 9.801 -2.279 -4.009 1.00 0.00 C ATOM 149 CG TYR A 11 9.035 -2.818 -2.834 1.00 0.00 C ATOM 150 CD1 TYR A 11 7.662 -2.661 -2.735 1.00 0.00 C ATOM 151 CD2 TYR A 11 9.701 -3.466 -1.812 1.00 0.00 C ATOM 152 CE1 TYR A 11 6.973 -3.136 -1.640 1.00 0.00 C ATOM 153 CE2 TYR A 11 9.021 -3.950 -0.716 1.00 0.00 C ATOM 154 CZ TYR A 11 7.656 -3.779 -0.636 1.00 0.00 C ATOM 155 OH TYR A 11 6.971 -4.247 0.455 1.00 0.00 O ATOM 0 H TYR A 11 10.526 -4.872 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 11 8.955 -3.024 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.824 -2.074 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.361 -1.326 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.125 -2.160 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.771 -3.595 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.903 -3.004 -1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.553 -4.459 0.074 1.00 0.00 H new ATOM 0 HH TYR A 11 7.513 -4.920 0.918 1.00 0.00 H new ATOM 165 N ALA A 12 11.805 -3.917 -6.464 1.00 0.00 N ATOM 166 CA ALA A 12 13.073 -3.734 -7.164 1.00 0.00 C ATOM 167 C ALA A 12 12.903 -2.874 -8.412 1.00 0.00 C ATOM 168 O ALA A 12 12.373 -3.326 -9.428 1.00 0.00 O ATOM 169 CB ALA A 12 13.681 -5.079 -7.526 1.00 0.00 C ATOM 0 H ALA A 12 11.518 -4.890 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 12 13.751 -3.212 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.626 -4.923 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.859 -5.654 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.995 -5.626 -8.173 1.00 0.00 H new ATOM 175 N GLY A 13 13.359 -1.634 -8.324 1.00 0.00 N ATOM 176 CA GLY A 13 13.240 -0.707 -9.430 1.00 0.00 C ATOM 177 C GLY A 13 11.884 -0.042 -9.482 1.00 0.00 C ATOM 178 O GLY A 13 11.362 0.230 -10.564 1.00 0.00 O ATOM 0 H GLY A 13 13.815 -1.250 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.013 0.057 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.418 -1.237 -10.366 1.00 0.00 H new ATOM 182 N LEU A 14 11.306 0.213 -8.316 1.00 0.00 N ATOM 183 CA LEU A 14 9.998 0.850 -8.237 1.00 0.00 C ATOM 184 C LEU A 14 10.030 2.065 -7.322 1.00 0.00 C ATOM 185 O LEU A 14 11.029 2.347 -6.659 1.00 0.00 O ATOM 186 CB LEU A 14 8.942 -0.134 -7.726 1.00 0.00 C ATOM 187 CG LEU A 14 8.747 -1.393 -8.570 1.00 0.00 C ATOM 188 CD1 LEU A 14 7.611 -2.234 -8.011 1.00 0.00 C ATOM 189 CD2 LEU A 14 8.471 -1.030 -10.020 1.00 0.00 C ATOM 0 H LEU A 14 11.722 -0.011 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 14 9.736 1.172 -9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.212 -0.435 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.987 0.388 -7.659 1.00 0.00 H new ATOM 0 HG LEU A 14 9.666 -1.977 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.484 -3.127 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.844 -2.526 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.689 -1.653 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.335 -1.941 -10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.567 -0.424 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.313 -0.465 -10.420 1.00 0.00 H new ATOM 201 N THR A 15 8.924 2.782 -7.300 1.00 0.00 N ATOM 202 CA THR A 15 8.769 3.941 -6.447 1.00 0.00 C ATOM 203 C THR A 15 7.639 3.679 -5.453 1.00 0.00 C ATOM 204 O THR A 15 6.460 3.742 -5.809 1.00 0.00 O ATOM 205 CB THR A 15 8.438 5.186 -7.286 1.00 0.00 C ATOM 206 OG1 THR A 15 8.977 5.031 -8.608 1.00 0.00 O ATOM 207 CG2 THR A 15 9.014 6.446 -6.659 1.00 0.00 C ATOM 0 H THR A 15 8.107 2.576 -7.874 1.00 0.00 H new ATOM 0 HA THR A 15 9.703 4.120 -5.914 1.00 0.00 H new ATOM 0 HB THR A 15 7.353 5.286 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.778 5.831 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.762 7.308 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.596 6.580 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.098 6.355 -6.589 1.00 0.00 H new ATOM 215 N VAL A 16 7.998 3.370 -4.221 1.00 0.00 N ATOM 216 CA VAL A 16 7.025 2.962 -3.216 1.00 0.00 C ATOM 217 C VAL A 16 6.514 4.160 -2.438 1.00 0.00 C ATOM 218 O VAL A 16 7.121 5.229 -2.437 1.00 0.00 O ATOM 219 CB VAL A 16 7.609 1.924 -2.240 1.00 0.00 C ATOM 220 CG1 VAL A 16 8.108 0.709 -2.998 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.716 2.526 -1.396 1.00 0.00 C ATOM 0 H VAL A 16 8.962 3.393 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 16 6.195 2.500 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 16 6.814 1.608 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.518 -0.016 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.281 0.256 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.884 1.012 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.108 1.769 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.516 2.881 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.320 3.361 -0.818 1.00 0.00 H new ATOM 231 N SER A 17 5.383 3.974 -1.796 1.00 0.00 N ATOM 232 CA SER A 17 4.750 5.021 -1.032 1.00 0.00 C ATOM 233 C SER A 17 5.431 5.195 0.321 1.00 0.00 C ATOM 234 O SER A 17 6.129 4.294 0.769 1.00 0.00 O ATOM 235 CB SER A 17 3.283 4.662 -0.867 1.00 0.00 C ATOM 236 OG SER A 17 3.031 3.391 -1.442 1.00 0.00 O ATOM 0 H SER A 17 4.876 3.089 -1.790 1.00 0.00 H new ATOM 0 HA SER A 17 4.840 5.973 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.019 4.652 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.659 5.417 -1.344 1.00 0.00 H new ATOM 0 HG SER A 17 2.306 2.949 -0.953 1.00 0.00 H new ATOM 242 N ALA A 18 5.235 6.336 0.966 1.00 0.00 N ATOM 243 CA ALA A 18 5.901 6.613 2.239 1.00 0.00 C ATOM 244 C ALA A 18 5.613 5.528 3.291 1.00 0.00 C ATOM 245 O ALA A 18 6.549 5.026 3.910 1.00 0.00 O ATOM 246 CB ALA A 18 5.523 7.991 2.756 1.00 0.00 C ATOM 0 H ALA A 18 4.625 7.083 0.635 1.00 0.00 H new ATOM 0 HA ALA A 18 6.975 6.598 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.030 8.176 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.823 8.747 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.444 8.040 2.906 1.00 0.00 H new ATOM 252 N PRO A 19 4.328 5.141 3.508 1.00 0.00 N ATOM 253 CA PRO A 19 3.973 4.062 4.444 1.00 0.00 C ATOM 254 C PRO A 19 4.820 2.802 4.264 1.00 0.00 C ATOM 255 O PRO A 19 5.292 2.217 5.236 1.00 0.00 O ATOM 256 CB PRO A 19 2.520 3.763 4.090 1.00 0.00 C ATOM 257 CG PRO A 19 1.983 5.059 3.604 1.00 0.00 C ATOM 258 CD PRO A 19 3.120 5.742 2.902 1.00 0.00 C ATOM 0 HA PRO A 19 4.138 4.363 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.449 2.991 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.966 3.404 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.143 4.904 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.616 5.665 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.086 5.570 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.092 6.821 3.054 1.00 0.00 H new ATOM 266 N VAL A 20 5.020 2.401 3.014 1.00 0.00 N ATOM 267 CA VAL A 20 5.779 1.200 2.707 1.00 0.00 C ATOM 268 C VAL A 20 7.273 1.500 2.724 1.00 0.00 C ATOM 269 O VAL A 20 8.069 0.687 3.178 1.00 0.00 O ATOM 270 CB VAL A 20 5.338 0.580 1.347 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.726 1.625 0.439 1.00 0.00 C ATOM 272 CG2 VAL A 20 6.492 -0.110 0.626 1.00 0.00 C ATOM 0 H VAL A 20 4.664 2.894 2.195 1.00 0.00 H new ATOM 0 HA VAL A 20 5.571 0.458 3.478 1.00 0.00 H new ATOM 0 HB VAL A 20 4.586 -0.173 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.429 1.161 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.851 2.059 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.457 2.409 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.135 -0.526 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.282 0.614 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.884 -0.912 1.251 1.00 0.00 H new ATOM 282 N PHE A 21 7.630 2.688 2.263 1.00 0.00 N ATOM 283 CA PHE A 21 9.013 3.138 2.238 1.00 0.00 C ATOM 284 C PHE A 21 9.598 3.182 3.647 1.00 0.00 C ATOM 285 O PHE A 21 10.615 2.550 3.927 1.00 0.00 O ATOM 286 CB PHE A 21 9.087 4.527 1.608 1.00 0.00 C ATOM 287 CG PHE A 21 10.481 4.952 1.282 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.245 5.637 2.207 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.030 4.648 0.053 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.540 6.008 1.912 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.322 5.018 -0.253 1.00 0.00 C ATOM 292 CZ PHE A 21 13.082 5.696 0.678 1.00 0.00 C ATOM 0 H PHE A 21 6.967 3.370 1.894 1.00 0.00 H new ATOM 0 HA PHE A 21 9.595 2.432 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.488 4.538 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.643 5.252 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.824 5.884 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.440 4.114 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.130 6.541 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.739 4.778 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.097 5.982 0.444 1.00 0.00 H new ATOM 302 N ALA A 22 8.938 3.923 4.531 1.00 0.00 N ATOM 303 CA ALA A 22 9.401 4.083 5.905 1.00 0.00 C ATOM 304 C ALA A 22 9.417 2.745 6.628 1.00 0.00 C ATOM 305 O ALA A 22 10.284 2.487 7.465 1.00 0.00 O ATOM 306 CB ALA A 22 8.522 5.077 6.649 1.00 0.00 C ATOM 0 H ALA A 22 8.076 4.425 4.319 1.00 0.00 H new ATOM 0 HA ALA A 22 10.420 4.470 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.881 5.185 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.561 6.044 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.494 4.715 6.661 1.00 0.00 H new ATOM 312 N ALA A 23 8.462 1.892 6.285 1.00 0.00 N ATOM 313 CA ALA A 23 8.367 0.572 6.870 1.00 0.00 C ATOM 314 C ALA A 23 9.490 -0.309 6.356 1.00 0.00 C ATOM 315 O ALA A 23 10.106 -1.053 7.109 1.00 0.00 O ATOM 316 CB ALA A 23 7.029 -0.031 6.540 1.00 0.00 C ATOM 0 H ALA A 23 7.738 2.098 5.597 1.00 0.00 H new ATOM 0 HA ALA A 23 8.461 0.650 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.959 -1.025 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.236 0.601 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.921 -0.106 5.458 1.00 0.00 H new ATOM 322 N LEU A 24 9.745 -0.203 5.064 1.00 0.00 N ATOM 323 CA LEU A 24 10.849 -0.889 4.420 1.00 0.00 C ATOM 324 C LEU A 24 12.169 -0.475 5.037 1.00 0.00 C ATOM 325 O LEU A 24 12.986 -1.311 5.364 1.00 0.00 O ATOM 326 CB LEU A 24 10.850 -0.546 2.945 1.00 0.00 C ATOM 327 CG LEU A 24 10.425 -1.652 1.984 1.00 0.00 C ATOM 328 CD1 LEU A 24 9.289 -2.488 2.550 1.00 0.00 C ATOM 329 CD2 LEU A 24 10.010 -1.013 0.680 1.00 0.00 C ATOM 0 H LEU A 24 9.187 0.366 4.428 1.00 0.00 H new ATOM 0 HA LEU A 24 10.726 -1.964 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.190 0.308 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.855 -0.225 2.671 1.00 0.00 H new ATOM 0 HG LEU A 24 11.266 -2.328 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.017 -3.264 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.608 -2.951 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.426 -1.849 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.702 -1.787 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.178 -0.332 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.850 -0.458 0.263 1.00 0.00 H new ATOM 341 N VAL A 25 12.375 0.822 5.192 1.00 0.00 N ATOM 342 CA VAL A 25 13.572 1.327 5.861 1.00 0.00 C ATOM 343 C VAL A 25 13.656 0.773 7.285 1.00 0.00 C ATOM 344 O VAL A 25 14.739 0.585 7.837 1.00 0.00 O ATOM 345 CB VAL A 25 13.600 2.871 5.908 1.00 0.00 C ATOM 346 CG1 VAL A 25 14.841 3.365 6.631 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.547 3.452 4.506 1.00 0.00 C ATOM 0 H VAL A 25 11.734 1.546 4.867 1.00 0.00 H new ATOM 0 HA VAL A 25 14.432 0.991 5.281 1.00 0.00 H new ATOM 0 HB VAL A 25 12.721 3.207 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.840 4.455 6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.844 2.982 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.731 3.013 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.568 4.540 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.406 3.102 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.629 3.132 4.014 1.00 0.00 H new ATOM 357 N THR A 26 12.501 0.478 7.851 1.00 0.00 N ATOM 358 CA THR A 26 12.416 -0.062 9.201 1.00 0.00 C ATOM 359 C THR A 26 12.942 -1.508 9.267 1.00 0.00 C ATOM 360 O THR A 26 13.519 -1.925 10.274 1.00 0.00 O ATOM 361 CB THR A 26 10.958 0.001 9.722 1.00 0.00 C ATOM 362 OG1 THR A 26 10.556 1.370 9.876 1.00 0.00 O ATOM 363 CG2 THR A 26 10.801 -0.732 11.045 1.00 0.00 C ATOM 0 H THR A 26 11.598 0.604 7.394 1.00 0.00 H new ATOM 0 HA THR A 26 13.048 0.554 9.841 1.00 0.00 H new ATOM 0 HB THR A 26 10.320 -0.492 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.519 1.801 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.765 -0.665 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.074 -1.779 10.915 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.452 -0.278 11.792 1.00 0.00 H new ATOM 371 N VAL A 27 12.764 -2.261 8.189 1.00 0.00 N ATOM 372 CA VAL A 27 13.152 -3.669 8.170 1.00 0.00 C ATOM 373 C VAL A 27 14.349 -3.924 7.242 1.00 0.00 C ATOM 374 O VAL A 27 15.300 -4.617 7.611 1.00 0.00 O ATOM 375 CB VAL A 27 11.948 -4.570 7.772 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.996 -3.841 6.840 1.00 0.00 C ATOM 377 CG2 VAL A 27 12.413 -5.847 7.107 1.00 0.00 C ATOM 0 H VAL A 27 12.355 -1.923 7.318 1.00 0.00 H new ATOM 0 HA VAL A 27 13.463 -3.930 9.182 1.00 0.00 H new ATOM 0 HB VAL A 27 11.423 -4.819 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.166 -4.498 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.612 -2.950 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.526 -3.551 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.548 -6.455 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.976 -5.604 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.050 -6.404 7.794 1.00 0.00 H new ATOM 387 N TYR A 28 14.290 -3.368 6.047 1.00 0.00 N ATOM 388 CA TYR A 28 15.329 -3.547 5.043 1.00 0.00 C ATOM 389 C TYR A 28 16.358 -2.424 5.122 1.00 0.00 C ATOM 390 O TYR A 28 17.534 -2.612 4.805 1.00 0.00 O ATOM 391 CB TYR A 28 14.688 -3.581 3.656 1.00 0.00 C ATOM 392 CG TYR A 28 13.596 -4.614 3.551 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.263 -4.235 3.524 1.00 0.00 C ATOM 394 CD2 TYR A 28 13.895 -5.967 3.510 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.256 -5.175 3.460 1.00 0.00 C ATOM 396 CE2 TYR A 28 12.895 -6.914 3.439 1.00 0.00 C ATOM 397 CZ TYR A 28 11.577 -6.513 3.416 1.00 0.00 C ATOM 398 OH TYR A 28 10.579 -7.453 3.366 1.00 0.00 O ATOM 0 H TYR A 28 13.518 -2.776 5.741 1.00 0.00 H new ATOM 0 HA TYR A 28 15.845 -4.489 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.278 -2.598 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 28 15.455 -3.790 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 28 12.009 -3.186 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.927 -6.284 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.222 -4.863 3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 28 13.144 -7.964 3.402 1.00 0.00 H new ATOM 0 HH TYR A 28 9.900 -7.175 2.717 1.00 0.00 H new ATOM 408 N GLY A 29 15.902 -1.256 5.553 1.00 0.00 N ATOM 409 CA GLY A 29 16.780 -0.114 5.676 1.00 0.00 C ATOM 410 C GLY A 29 16.888 0.658 4.382 1.00 0.00 C ATOM 411 O GLY A 29 16.543 0.144 3.315 1.00 0.00 O ATOM 0 H GLY A 29 14.934 -1.080 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.410 0.545 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.771 -0.450 5.982 1.00 0.00 H new ATOM 415 N ALA A 30 17.364 1.892 4.467 1.00 0.00 N ATOM 416 CA ALA A 30 17.592 2.701 3.279 1.00 0.00 C ATOM 417 C ALA A 30 18.705 2.082 2.444 1.00 0.00 C ATOM 418 O ALA A 30 18.788 2.295 1.240 1.00 0.00 O ATOM 419 CB ALA A 30 17.941 4.131 3.662 1.00 0.00 C ATOM 0 H ALA A 30 17.599 2.354 5.345 1.00 0.00 H new ATOM 0 HA ALA A 30 16.677 2.726 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.108 4.719 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.120 4.566 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.846 4.134 4.269 1.00 0.00 H new ATOM 425 N TYR A 31 19.547 1.307 3.114 1.00 0.00 N ATOM 426 CA TYR A 31 20.622 0.569 2.488 1.00 0.00 C ATOM 427 C TYR A 31 20.083 -0.411 1.448 1.00 0.00 C ATOM 428 O TYR A 31 20.466 -0.360 0.280 1.00 0.00 O ATOM 429 CB TYR A 31 21.381 -0.157 3.596 1.00 0.00 C ATOM 430 CG TYR A 31 22.490 -1.054 3.132 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.475 -2.401 3.445 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.556 -0.554 2.408 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.499 -3.236 3.051 1.00 0.00 C ATOM 434 CE2 TYR A 31 24.585 -1.380 2.001 1.00 0.00 C ATOM 435 CZ TYR A 31 24.553 -2.720 2.328 1.00 0.00 C ATOM 436 OH TYR A 31 25.581 -3.544 1.936 1.00 0.00 O ATOM 0 H TYR A 31 19.497 1.175 4.124 1.00 0.00 H new ATOM 0 HA TYR A 31 21.290 1.246 1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 31 21.798 0.586 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 31 20.671 -0.752 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 31 21.647 -2.806 4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.584 0.496 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.475 -4.285 3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 31 25.410 -0.980 1.430 1.00 0.00 H new ATOM 0 HH TYR A 31 25.306 -4.479 2.034 1.00 0.00 H new ATOM 446 N ALA A 32 19.180 -1.288 1.869 1.00 0.00 N ATOM 447 CA ALA A 32 18.587 -2.255 0.965 1.00 0.00 C ATOM 448 C ALA A 32 17.669 -1.567 -0.037 1.00 0.00 C ATOM 449 O ALA A 32 17.641 -1.929 -1.209 1.00 0.00 O ATOM 450 CB ALA A 32 17.829 -3.317 1.739 1.00 0.00 C ATOM 0 H ALA A 32 18.845 -1.346 2.831 1.00 0.00 H new ATOM 0 HA ALA A 32 19.392 -2.740 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.392 -4.032 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.513 -3.836 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.036 -2.847 2.321 1.00 0.00 H new ATOM 456 N LEU A 33 16.927 -0.565 0.422 1.00 0.00 N ATOM 457 CA LEU A 33 16.027 0.167 -0.455 1.00 0.00 C ATOM 458 C LEU A 33 16.791 0.915 -1.543 1.00 0.00 C ATOM 459 O LEU A 33 16.328 1.023 -2.675 1.00 0.00 O ATOM 460 CB LEU A 33 15.156 1.127 0.357 1.00 0.00 C ATOM 461 CG LEU A 33 13.739 0.638 0.602 1.00 0.00 C ATOM 462 CD1 LEU A 33 13.755 -0.713 1.292 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.982 1.651 1.431 1.00 0.00 C ATOM 0 H LEU A 33 16.932 -0.244 1.390 1.00 0.00 H new ATOM 0 HA LEU A 33 15.379 -0.556 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.636 1.308 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.112 2.085 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 33 13.234 0.523 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.731 -1.048 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.275 -1.436 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.270 -0.627 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.966 1.294 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.486 1.787 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.947 2.602 0.900 1.00 0.00 H new ATOM 475 N TYR A 34 17.972 1.410 -1.207 1.00 0.00 N ATOM 476 CA TYR A 34 18.825 2.055 -2.189 1.00 0.00 C ATOM 477 C TYR A 34 19.356 1.011 -3.156 1.00 0.00 C ATOM 478 O TYR A 34 19.511 1.266 -4.350 1.00 0.00 O ATOM 479 CB TYR A 34 19.982 2.780 -1.490 1.00 0.00 C ATOM 480 CG TYR A 34 21.207 2.968 -2.354 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.275 3.989 -3.292 1.00 0.00 C ATOM 482 CD2 TYR A 34 22.295 2.112 -2.230 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.394 4.151 -4.085 1.00 0.00 C ATOM 484 CE2 TYR A 34 23.418 2.270 -3.018 1.00 0.00 C ATOM 485 CZ TYR A 34 23.462 3.290 -3.944 1.00 0.00 C ATOM 486 OH TYR A 34 24.581 3.450 -4.733 1.00 0.00 O ATOM 0 H TYR A 34 18.360 1.377 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 34 18.246 2.793 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.634 3.757 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.262 2.219 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.441 4.666 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 34 22.262 1.311 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 34 22.433 4.948 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 34 24.257 1.598 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 34 25.242 2.762 -4.507 1.00 0.00 H new ATOM 496 N ARG A 35 19.592 -0.178 -2.626 1.00 0.00 N ATOM 497 CA ARG A 35 20.166 -1.264 -3.394 1.00 0.00 C ATOM 498 C ARG A 35 19.225 -1.744 -4.484 1.00 0.00 C ATOM 499 O ARG A 35 19.644 -2.005 -5.611 1.00 0.00 O ATOM 500 CB ARG A 35 20.516 -2.420 -2.471 1.00 0.00 C ATOM 501 CG ARG A 35 21.905 -2.326 -1.892 1.00 0.00 C ATOM 502 CD ARG A 35 22.287 -3.617 -1.206 1.00 0.00 C ATOM 503 NE ARG A 35 23.702 -3.645 -0.852 1.00 0.00 N ATOM 504 CZ ARG A 35 24.467 -4.735 -0.927 1.00 0.00 C ATOM 505 NH1 ARG A 35 23.937 -5.902 -1.278 1.00 0.00 N ATOM 506 NH2 ARG A 35 25.759 -4.659 -0.639 1.00 0.00 N ATOM 0 H ARG A 35 19.391 -0.414 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 35 21.069 -0.888 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 35 19.793 -2.456 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.423 -3.356 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.620 -2.104 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.952 -1.502 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.685 -3.742 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.060 -4.458 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 35 24.132 -2.779 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.942 -5.967 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.526 -6.733 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 26.168 -3.767 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.344 -5.492 -0.696 1.00 0.00 H new ATOM 520 N TYR A 36 17.955 -1.861 -4.145 1.00 0.00 N ATOM 521 CA TYR A 36 16.967 -2.381 -5.080 1.00 0.00 C ATOM 522 C TYR A 36 16.248 -1.269 -5.818 1.00 0.00 C ATOM 523 O TYR A 36 15.170 -1.478 -6.367 1.00 0.00 O ATOM 524 CB TYR A 36 15.965 -3.262 -4.346 1.00 0.00 C ATOM 525 CG TYR A 36 16.593 -4.525 -3.826 1.00 0.00 C ATOM 526 CD1 TYR A 36 17.328 -4.512 -2.654 1.00 0.00 C ATOM 527 CD2 TYR A 36 16.470 -5.718 -4.516 1.00 0.00 C ATOM 528 CE1 TYR A 36 17.928 -5.650 -2.178 1.00 0.00 C ATOM 529 CE2 TYR A 36 17.064 -6.872 -4.046 1.00 0.00 C ATOM 530 CZ TYR A 36 17.795 -6.834 -2.875 1.00 0.00 C ATOM 531 OH TYR A 36 18.395 -7.979 -2.401 1.00 0.00 O ATOM 0 H TYR A 36 17.581 -1.604 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 36 17.496 -2.978 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.534 -2.704 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 36 15.146 -3.516 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.431 -3.589 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 36 15.902 -5.747 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 36 18.501 -5.620 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 36 16.958 -7.799 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 36 18.203 -8.724 -3.008 1.00 0.00 H new ATOM 541 N ASN A 37 16.860 -0.089 -5.823 1.00 0.00 N ATOM 542 CA ASN A 37 16.310 1.080 -6.504 1.00 0.00 C ATOM 543 C ASN A 37 14.871 1.318 -6.058 1.00 0.00 C ATOM 544 O ASN A 37 13.971 1.552 -6.868 1.00 0.00 O ATOM 545 CB ASN A 37 16.380 0.898 -8.025 1.00 0.00 C ATOM 546 CG ASN A 37 16.287 2.208 -8.790 1.00 0.00 C ATOM 547 OD1 ASN A 37 17.300 2.834 -9.091 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.078 2.641 -9.097 1.00 0.00 N ATOM 0 H ASN A 37 17.750 0.085 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 37 16.906 1.953 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.315 0.400 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.571 0.241 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.964 3.521 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.258 2.095 -8.831 1.00 0.00 H new ATOM 555 N ILE A 38 14.655 1.204 -4.762 1.00 0.00 N ATOM 556 CA ILE A 38 13.360 1.466 -4.179 1.00 0.00 C ATOM 557 C ILE A 38 13.278 2.916 -3.736 1.00 0.00 C ATOM 558 O ILE A 38 13.929 3.332 -2.776 1.00 0.00 O ATOM 559 CB ILE A 38 13.089 0.530 -2.990 1.00 0.00 C ATOM 560 CG1 ILE A 38 13.167 -0.925 -3.448 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.730 0.828 -2.377 1.00 0.00 C ATOM 562 CD1 ILE A 38 13.006 -1.922 -2.331 1.00 0.00 C ATOM 0 H ILE A 38 15.370 0.928 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 38 12.598 1.278 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 38 13.848 0.698 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.394 -1.103 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.127 -1.092 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.555 0.156 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.707 1.860 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.953 0.682 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.073 -2.933 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.794 -1.772 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.034 -1.784 -1.857 1.00 0.00 H new ATOM 574 N ARG A 39 12.493 3.681 -4.464 1.00 0.00 N ATOM 575 CA ARG A 39 12.363 5.110 -4.218 1.00 0.00 C ATOM 576 C ARG A 39 11.072 5.400 -3.469 1.00 0.00 C ATOM 577 O ARG A 39 10.236 4.517 -3.306 1.00 0.00 O ATOM 578 CB ARG A 39 12.357 5.887 -5.534 1.00 0.00 C ATOM 579 CG ARG A 39 13.601 5.718 -6.381 1.00 0.00 C ATOM 580 CD ARG A 39 13.437 4.603 -7.397 1.00 0.00 C ATOM 581 NE ARG A 39 12.278 4.824 -8.263 1.00 0.00 N ATOM 582 CZ ARG A 39 12.348 5.326 -9.496 1.00 0.00 C ATOM 583 NH1 ARG A 39 13.517 5.697 -10.010 1.00 0.00 N ATOM 584 NH2 ARG A 39 11.239 5.478 -10.205 1.00 0.00 N ATOM 0 H ARG A 39 11.928 3.337 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 39 13.216 5.426 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.492 5.575 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.227 6.946 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.820 6.653 -6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.454 5.502 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.338 4.531 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.327 3.651 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 39 11.357 4.578 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.370 5.599 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.560 6.080 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.339 5.212 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.286 5.862 -11.149 1.00 0.00 H new ATOM 598 N ARG A 40 10.910 6.640 -3.028 1.00 0.00 N ATOM 599 CA ARG A 40 9.702 7.051 -2.327 1.00 0.00 C ATOM 600 C ARG A 40 8.903 8.012 -3.191 1.00 0.00 C ATOM 601 O ARG A 40 9.439 8.998 -3.702 1.00 0.00 O ATOM 602 CB ARG A 40 10.050 7.722 -1.002 1.00 0.00 C ATOM 603 CG ARG A 40 8.878 7.819 -0.040 1.00 0.00 C ATOM 604 CD ARG A 40 9.290 8.483 1.262 1.00 0.00 C ATOM 605 NE ARG A 40 9.500 9.919 1.100 1.00 0.00 N ATOM 606 CZ ARG A 40 10.259 10.659 1.906 1.00 0.00 C ATOM 607 NH1 ARG A 40 10.844 10.109 2.963 1.00 0.00 N ATOM 608 NH2 ARG A 40 10.414 11.953 1.663 1.00 0.00 N ATOM 0 H ARG A 40 11.602 7.380 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 40 9.104 6.163 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.856 7.165 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.429 8.724 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.071 8.388 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.489 6.822 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.521 8.312 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.206 8.022 1.630 1.00 0.00 H new ATOM 0 HE ARG A 40 9.036 10.385 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.713 9.117 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.425 10.679 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.952 12.380 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.995 12.522 2.279 1.00 0.00 H new ATOM 622 N ARG A 41 7.629 7.723 -3.355 1.00 0.00 N ATOM 623 CA ARG A 41 6.777 8.532 -4.219 1.00 0.00 C ATOM 624 C ARG A 41 5.678 9.240 -3.437 1.00 0.00 C ATOM 625 O ARG A 41 5.624 9.165 -2.207 1.00 0.00 O ATOM 626 CB ARG A 41 6.136 7.672 -5.309 1.00 0.00 C ATOM 627 CG ARG A 41 5.098 6.696 -4.784 1.00 0.00 C ATOM 628 CD ARG A 41 4.339 6.038 -5.920 1.00 0.00 C ATOM 629 NE ARG A 41 3.721 7.022 -6.805 1.00 0.00 N ATOM 630 CZ ARG A 41 3.106 6.716 -7.947 1.00 0.00 C ATOM 631 NH1 ARG A 41 3.027 5.453 -8.346 1.00 0.00 N ATOM 632 NH2 ARG A 41 2.579 7.677 -8.692 1.00 0.00 N ATOM 0 H ARG A 41 7.157 6.938 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 41 7.420 9.286 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.668 8.324 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.917 7.115 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.587 5.932 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.399 7.220 -4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.019 5.410 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.569 5.384 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 41 3.763 8.004 -6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.438 4.712 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.555 5.223 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.644 8.649 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.108 7.444 -9.566 1.00 0.00 H new ATOM 646 N GLU A 42 4.808 9.921 -4.177 1.00 0.00 N ATOM 647 CA GLU A 42 3.639 10.584 -3.615 1.00 0.00 C ATOM 648 C GLU A 42 2.653 9.584 -3.024 1.00 0.00 C ATOM 649 O GLU A 42 2.778 8.371 -3.210 1.00 0.00 O ATOM 650 CB GLU A 42 2.939 11.400 -4.698 1.00 0.00 C ATOM 651 CG GLU A 42 3.616 12.719 -5.001 1.00 0.00 C ATOM 652 CD GLU A 42 3.498 13.693 -3.854 1.00 0.00 C ATOM 653 OE1 GLU A 42 4.468 13.833 -3.081 1.00 0.00 O ATOM 654 OE2 GLU A 42 2.427 14.317 -3.711 1.00 0.00 O ATOM 0 H GLU A 42 4.896 10.028 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 42 3.983 11.238 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.891 10.808 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.912 11.592 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.669 12.544 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.173 13.157 -5.895 1.00 0.00 H new ATOM 661 N ASN A 43 1.666 10.110 -2.316 1.00 0.00 N ATOM 662 CA ASN A 43 0.651 9.286 -1.681 1.00 0.00 C ATOM 663 C ASN A 43 -0.718 9.924 -1.844 1.00 0.00 C ATOM 664 O ASN A 43 -1.501 9.993 -0.897 1.00 0.00 O ATOM 665 CB ASN A 43 0.945 9.112 -0.190 1.00 0.00 C ATOM 666 CG ASN A 43 2.302 8.503 0.094 1.00 0.00 C ATOM 667 OD1 ASN A 43 2.433 7.286 0.206 1.00 0.00 O ATOM 668 ND2 ASN A 43 3.314 9.347 0.224 1.00 0.00 N ATOM 0 H ASN A 43 1.547 11.112 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 43 0.663 8.308 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.883 10.084 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.174 8.482 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.250 8.994 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.158 10.350 0.123 1.00 0.00 H new ATOM 675 N SER A 44 -1.008 10.377 -3.050 1.00 0.00 N ATOM 676 CA SER A 44 -2.251 11.085 -3.318 1.00 0.00 C ATOM 677 C SER A 44 -3.398 10.102 -3.541 1.00 0.00 C ATOM 678 O SER A 44 -4.553 10.499 -3.672 1.00 0.00 O ATOM 679 CB SER A 44 -2.079 11.995 -4.539 1.00 0.00 C ATOM 680 OG SER A 44 -3.194 12.855 -4.711 1.00 0.00 O ATOM 0 H SER A 44 -0.400 10.268 -3.862 1.00 0.00 H new ATOM 0 HA SER A 44 -2.497 11.698 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.174 12.591 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.948 11.385 -5.433 1.00 0.00 H new ATOM 0 HG SER A 44 -4.005 12.407 -4.392 1.00 0.00 H new ATOM 686 N TYR A 45 -3.073 8.818 -3.565 1.00 0.00 N ATOM 687 CA TYR A 45 -4.058 7.784 -3.836 1.00 0.00 C ATOM 688 C TYR A 45 -3.697 6.499 -3.093 1.00 0.00 C ATOM 689 O TYR A 45 -2.823 6.503 -2.221 1.00 0.00 O ATOM 690 CB TYR A 45 -4.136 7.521 -5.346 1.00 0.00 C ATOM 691 CG TYR A 45 -2.922 6.808 -5.906 1.00 0.00 C ATOM 692 CD1 TYR A 45 -1.645 7.336 -5.749 1.00 0.00 C ATOM 693 CD2 TYR A 45 -3.053 5.601 -6.580 1.00 0.00 C ATOM 694 CE1 TYR A 45 -0.538 6.685 -6.245 1.00 0.00 C ATOM 695 CE2 TYR A 45 -1.948 4.945 -7.083 1.00 0.00 C ATOM 696 CZ TYR A 45 -0.694 5.489 -6.912 1.00 0.00 C ATOM 697 OH TYR A 45 0.407 4.829 -7.401 1.00 0.00 O ATOM 0 H TYR A 45 -2.130 8.467 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.032 8.124 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.025 6.926 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.259 8.472 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.519 8.274 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.034 5.169 -6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.446 7.109 -6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.066 4.009 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 45 0.123 4.002 -7.843 1.00 0.00 H new ATOM 707 N GLN A 46 -4.364 5.407 -3.451 1.00 0.00 N ATOM 708 CA GLN A 46 -4.081 4.100 -2.866 1.00 0.00 C ATOM 709 C GLN A 46 -2.773 3.561 -3.440 1.00 0.00 C ATOM 710 O GLN A 46 -2.655 3.321 -4.639 1.00 0.00 O ATOM 711 CB GLN A 46 -5.225 3.109 -3.143 1.00 0.00 C ATOM 712 CG GLN A 46 -5.467 2.854 -4.625 1.00 0.00 C ATOM 713 CD GLN A 46 -6.576 3.701 -5.208 1.00 0.00 C ATOM 714 OE1 GLN A 46 -7.163 3.354 -6.229 1.00 0.00 O ATOM 715 NE2 GLN A 46 -6.918 4.781 -4.533 1.00 0.00 N ATOM 0 H GLN A 46 -5.109 5.401 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.990 4.215 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.001 2.162 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.142 3.491 -2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.546 3.047 -5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.710 1.801 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.407 5.038 -3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.694 5.359 -4.855 1.00 0.00 H new ATOM 724 N ARG A 47 -1.783 3.380 -2.599 1.00 0.00 N ATOM 725 CA ARG A 47 -0.482 2.963 -3.084 1.00 0.00 C ATOM 726 C ARG A 47 0.076 1.856 -2.206 1.00 0.00 C ATOM 727 O ARG A 47 0.753 2.118 -1.210 1.00 0.00 O ATOM 728 CB ARG A 47 0.476 4.158 -3.117 1.00 0.00 C ATOM 729 CG ARG A 47 1.485 4.131 -4.264 1.00 0.00 C ATOM 730 CD ARG A 47 2.241 2.811 -4.346 1.00 0.00 C ATOM 731 NE ARG A 47 3.381 2.878 -5.263 1.00 0.00 N ATOM 732 CZ ARG A 47 3.490 2.163 -6.386 1.00 0.00 C ATOM 733 NH1 ARG A 47 2.504 1.366 -6.779 1.00 0.00 N ATOM 734 NH2 ARG A 47 4.591 2.255 -7.124 1.00 0.00 N ATOM 0 H ARG A 47 -1.847 3.512 -1.590 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.590 2.577 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.109 5.075 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.019 4.198 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.965 4.307 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.197 4.946 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.593 2.534 -3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.560 2.025 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 47 4.143 3.514 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.653 1.295 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.598 0.824 -7.638 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.350 2.870 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.677 1.710 -7.982 1.00 0.00 H new ATOM 748 N ILE A 48 -0.234 0.621 -2.566 1.00 0.00 N ATOM 749 CA ILE A 48 0.307 -0.533 -1.874 1.00 0.00 C ATOM 750 C ILE A 48 0.672 -1.603 -2.892 1.00 0.00 C ATOM 751 O ILE A 48 0.058 -1.688 -3.956 1.00 0.00 O ATOM 752 CB ILE A 48 -0.676 -1.159 -0.851 1.00 0.00 C ATOM 753 CG1 ILE A 48 -1.540 -0.105 -0.148 1.00 0.00 C ATOM 754 CG2 ILE A 48 0.105 -1.953 0.182 1.00 0.00 C ATOM 755 CD1 ILE A 48 -2.801 0.255 -0.908 1.00 0.00 C ATOM 0 H ILE A 48 -0.861 0.393 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 48 1.178 -0.180 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.350 -1.814 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.815 -0.474 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.947 0.797 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.586 -2.393 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.665 -2.745 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.797 -1.291 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.361 1.006 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.535 0.655 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.416 -0.636 -1.035 1.00 0.00 H new ATOM 767 N ARG A 49 1.660 -2.420 -2.562 1.00 0.00 N ATOM 768 CA ARG A 49 2.104 -3.490 -3.446 1.00 0.00 C ATOM 769 C ARG A 49 1.236 -4.734 -3.245 1.00 0.00 C ATOM 770 O ARG A 49 1.748 -5.839 -3.051 1.00 0.00 O ATOM 771 CB ARG A 49 3.581 -3.807 -3.169 1.00 0.00 C ATOM 772 CG ARG A 49 4.268 -4.652 -4.237 1.00 0.00 C ATOM 773 CD ARG A 49 4.312 -3.938 -5.579 1.00 0.00 C ATOM 774 NE ARG A 49 5.182 -4.621 -6.538 1.00 0.00 N ATOM 775 CZ ARG A 49 4.848 -4.882 -7.803 1.00 0.00 C ATOM 776 NH1 ARG A 49 3.640 -4.568 -8.261 1.00 0.00 N ATOM 777 NH2 ARG A 49 5.723 -5.474 -8.607 1.00 0.00 N ATOM 0 H ARG A 49 2.174 -2.363 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 49 2.003 -3.168 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.125 -2.869 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.653 -4.327 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.283 -4.888 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.740 -5.599 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.304 -3.873 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.664 -2.917 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 49 6.104 -4.917 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.960 -4.124 -7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.393 -4.771 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.647 -5.728 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.471 -5.675 -9.575 1.00 0.00 H new ATOM 791 N SER A 50 -0.084 -4.529 -3.273 1.00 0.00 N ATOM 792 CA SER A 50 -1.052 -5.613 -3.118 1.00 0.00 C ATOM 793 C SER A 50 -0.850 -6.353 -1.789 1.00 0.00 C ATOM 794 O SER A 50 -0.243 -5.823 -0.850 1.00 0.00 O ATOM 795 CB SER A 50 -0.936 -6.583 -4.302 1.00 0.00 C ATOM 796 OG SER A 50 -2.027 -7.491 -4.333 1.00 0.00 O ATOM 0 H SER A 50 -0.508 -3.610 -3.403 1.00 0.00 H new ATOM 0 HA SER A 50 -2.054 -5.184 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.902 -6.020 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.000 -7.138 -4.230 1.00 0.00 H new ATOM 0 HG SER A 50 -1.928 -8.095 -5.098 1.00 0.00 H new ATOM 802 N ASP A 51 -1.406 -7.556 -1.712 1.00 0.00 N ATOM 803 CA ASP A 51 -1.258 -8.422 -0.547 1.00 0.00 C ATOM 804 C ASP A 51 -1.626 -9.843 -0.895 1.00 0.00 C ATOM 805 O ASP A 51 -0.763 -10.658 -1.209 1.00 0.00 O ATOM 806 CB ASP A 51 -2.114 -7.940 0.625 1.00 0.00 C ATOM 807 CG ASP A 51 -1.917 -8.790 1.866 1.00 0.00 C ATOM 808 OD1 ASP A 51 -0.819 -8.748 2.461 1.00 0.00 O ATOM 809 OD2 ASP A 51 -2.862 -9.504 2.252 1.00 0.00 O ATOM 0 H ASP A 51 -1.974 -7.960 -2.457 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.212 -8.384 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.864 -6.904 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.165 -7.959 0.337 1.00 0.00 H new ATOM 814 N HIS A 52 -2.903 -10.142 -0.856 1.00 0.00 N ATOM 815 CA HIS A 52 -3.339 -11.494 -1.125 1.00 0.00 C ATOM 816 C HIS A 52 -4.616 -11.505 -1.936 1.00 0.00 C ATOM 817 O HIS A 52 -4.596 -11.729 -3.142 1.00 0.00 O ATOM 818 CB HIS A 52 -3.543 -12.250 0.179 1.00 0.00 C ATOM 819 CG HIS A 52 -3.332 -13.707 0.020 1.00 0.00 C ATOM 820 ND1 HIS A 52 -4.354 -14.629 -0.020 1.00 0.00 N ATOM 821 CD2 HIS A 52 -2.186 -14.393 -0.129 1.00 0.00 C ATOM 822 CE1 HIS A 52 -3.838 -15.833 -0.190 1.00 0.00 C ATOM 823 NE2 HIS A 52 -2.524 -15.715 -0.259 1.00 0.00 N ATOM 0 H HIS A 52 -3.649 -9.480 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.562 -11.989 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.855 -11.865 0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.553 -12.069 0.548 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -5.348 -14.417 0.067 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.188 -13.981 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.395 -16.756 -0.261 1.00 0.00 H new ATOM 832 N ASP A 53 -5.722 -11.248 -1.270 1.00 0.00 N ATOM 833 CA ASP A 53 -7.011 -11.199 -1.934 1.00 0.00 C ATOM 834 C ASP A 53 -7.314 -9.766 -2.326 1.00 0.00 C ATOM 835 O ASP A 53 -8.467 -9.345 -2.388 1.00 0.00 O ATOM 836 CB ASP A 53 -8.106 -11.759 -1.021 1.00 0.00 C ATOM 837 CG ASP A 53 -7.916 -13.238 -0.731 1.00 0.00 C ATOM 838 OD1 ASP A 53 -7.064 -13.586 0.118 1.00 0.00 O ATOM 839 OD2 ASP A 53 -8.623 -14.065 -1.344 1.00 0.00 O ATOM 0 H ASP A 53 -5.756 -11.069 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.981 -11.816 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.111 -11.205 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.079 -11.605 -1.488 1.00 0.00 H new ATOM 844 N SER A 54 -6.250 -9.012 -2.560 1.00 0.00 N ATOM 845 CA SER A 54 -6.359 -7.619 -2.930 1.00 0.00 C ATOM 846 C SER A 54 -6.819 -7.459 -4.374 1.00 0.00 C ATOM 847 O SER A 54 -6.554 -8.305 -5.228 1.00 0.00 O ATOM 848 CB SER A 54 -5.018 -6.935 -2.718 1.00 0.00 C ATOM 849 OG SER A 54 -4.772 -6.689 -1.346 1.00 0.00 O ATOM 0 H SER A 54 -5.291 -9.353 -2.497 1.00 0.00 H new ATOM 0 HA SER A 54 -7.112 -7.150 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.222 -7.558 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.998 -5.993 -3.267 1.00 0.00 H new ATOM 0 HG SER A 54 -5.326 -5.939 -1.044 1.00 0.00 H new ATOM 855 N HIS A 55 -7.495 -6.352 -4.632 1.00 0.00 N ATOM 856 CA HIS A 55 -8.051 -6.059 -5.949 1.00 0.00 C ATOM 857 C HIS A 55 -8.542 -4.629 -5.997 1.00 0.00 C ATOM 858 O HIS A 55 -8.504 -3.920 -4.994 1.00 0.00 O ATOM 859 CB HIS A 55 -9.197 -7.011 -6.341 1.00 0.00 C ATOM 860 CG HIS A 55 -10.299 -7.142 -5.330 1.00 0.00 C ATOM 861 ND1 HIS A 55 -11.563 -6.610 -5.496 1.00 0.00 N ATOM 862 CD2 HIS A 55 -10.325 -7.800 -4.155 1.00 0.00 C ATOM 863 CE1 HIS A 55 -12.314 -6.943 -4.463 1.00 0.00 C ATOM 864 NE2 HIS A 55 -11.587 -7.668 -3.631 1.00 0.00 N ATOM 0 H HIS A 55 -7.676 -5.629 -3.936 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.247 -6.207 -6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.628 -6.666 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.778 -8.000 -6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.501 -8.335 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.349 -6.669 -4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.909 -8.063 -2.748 1.00 0.00 H new ATOM 873 N SER A 56 -8.990 -4.210 -7.160 1.00 0.00 N ATOM 874 CA SER A 56 -9.512 -2.867 -7.333 1.00 0.00 C ATOM 875 C SER A 56 -10.951 -2.768 -6.831 1.00 0.00 C ATOM 876 O SER A 56 -11.717 -3.727 -6.928 1.00 0.00 O ATOM 877 CB SER A 56 -9.433 -2.470 -8.807 1.00 0.00 C ATOM 878 OG SER A 56 -10.022 -3.461 -9.634 1.00 0.00 O ATOM 0 H SER A 56 -9.004 -4.781 -8.005 1.00 0.00 H new ATOM 0 HA SER A 56 -8.905 -2.180 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.940 -1.517 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.391 -2.325 -9.093 1.00 0.00 H new ATOM 0 HG SER A 56 -9.961 -3.183 -10.572 1.00 0.00 H new ATOM 884 N CYS A 57 -11.292 -1.620 -6.266 1.00 0.00 N ATOM 885 CA CYS A 57 -12.657 -1.329 -5.857 1.00 0.00 C ATOM 886 C CYS A 57 -12.911 0.169 -5.979 1.00 0.00 C ATOM 887 O CYS A 57 -12.004 0.923 -6.347 1.00 0.00 O ATOM 888 CB CYS A 57 -12.895 -1.793 -4.422 1.00 0.00 C ATOM 889 SG CYS A 57 -11.771 -1.029 -3.211 1.00 0.00 S ATOM 0 H CYS A 57 -10.632 -0.865 -6.078 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.348 -1.866 -6.506 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.924 -1.567 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.782 -2.876 -4.376 1.00 0.00 H new ATOM 894 N ALA A 58 -14.139 0.595 -5.690 1.00 0.00 N ATOM 895 CA ALA A 58 -14.517 2.004 -5.775 1.00 0.00 C ATOM 896 C ALA A 58 -14.269 2.543 -7.179 1.00 0.00 C ATOM 897 O ALA A 58 -13.829 3.679 -7.347 1.00 0.00 O ATOM 898 CB ALA A 58 -13.765 2.834 -4.734 1.00 0.00 C ATOM 0 H ALA A 58 -14.895 -0.022 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.583 2.083 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.063 3.879 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.003 2.467 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.692 2.748 -4.906 1.00 0.00 H new ATOM 904 N ASN A 59 -14.559 1.710 -8.180 1.00 0.00 N ATOM 905 CA ASN A 59 -14.306 2.043 -9.588 1.00 0.00 C ATOM 906 C ASN A 59 -12.807 2.222 -9.818 1.00 0.00 C ATOM 907 O ASN A 59 -12.379 3.109 -10.556 1.00 0.00 O ATOM 908 CB ASN A 59 -15.058 3.316 -10.005 1.00 0.00 C ATOM 909 CG ASN A 59 -16.538 3.258 -9.681 1.00 0.00 C ATOM 910 OD1 ASN A 59 -16.959 3.649 -8.592 1.00 0.00 O ATOM 911 ND2 ASN A 59 -17.336 2.776 -10.618 1.00 0.00 N ATOM 0 H ASN A 59 -14.974 0.789 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.672 1.220 -10.202 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.614 4.175 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.931 3.473 -11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.341 2.718 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.947 2.462 -11.507 1.00 0.00 H new ATOM 918 N ASN A 60 -12.024 1.360 -9.171 1.00 0.00 N ATOM 919 CA ASN A 60 -10.563 1.459 -9.154 1.00 0.00 C ATOM 920 C ASN A 60 -10.122 2.846 -8.688 1.00 0.00 C ATOM 921 O ASN A 60 -9.186 3.445 -9.220 1.00 0.00 O ATOM 922 CB ASN A 60 -9.957 1.108 -10.519 1.00 0.00 C ATOM 923 CG ASN A 60 -8.434 1.006 -10.496 1.00 0.00 C ATOM 924 OD1 ASN A 60 -7.780 1.207 -11.519 1.00 0.00 O ATOM 925 ND2 ASN A 60 -7.851 0.707 -9.335 1.00 0.00 N ATOM 0 H ASN A 60 -12.386 0.568 -8.640 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.187 0.727 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.372 0.160 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.252 1.865 -11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.835 0.639 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.421 0.546 -8.505 1.00 0.00 H new ATOM 932 N ARG A 61 -10.831 3.361 -7.701 1.00 0.00 N ATOM 933 CA ARG A 61 -10.415 4.565 -7.006 1.00 0.00 C ATOM 934 C ARG A 61 -10.025 4.198 -5.587 1.00 0.00 C ATOM 935 O ARG A 61 -9.764 5.059 -4.751 1.00 0.00 O ATOM 936 CB ARG A 61 -11.527 5.611 -7.008 1.00 0.00 C ATOM 937 CG ARG A 61 -11.857 6.133 -8.395 1.00 0.00 C ATOM 938 CD ARG A 61 -13.051 7.068 -8.366 1.00 0.00 C ATOM 939 NE ARG A 61 -14.282 6.369 -7.999 1.00 0.00 N ATOM 940 CZ ARG A 61 -15.441 6.979 -7.760 1.00 0.00 C ATOM 941 NH1 ARG A 61 -15.516 8.305 -7.795 1.00 0.00 N ATOM 942 NH2 ARG A 61 -16.522 6.264 -7.472 1.00 0.00 N ATOM 0 H ARG A 61 -11.705 2.960 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.559 5.002 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.425 5.178 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.232 6.447 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.993 6.657 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.065 5.295 -9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.865 7.873 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.174 7.530 -9.345 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.251 5.352 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.685 8.857 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.405 8.771 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.465 5.246 -7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.409 6.732 -7.289 1.00 0.00 H new ATOM 956 N GLY A 62 -10.003 2.898 -5.334 1.00 0.00 N ATOM 957 CA GLY A 62 -9.539 2.372 -4.072 1.00 0.00 C ATOM 958 C GLY A 62 -9.000 0.968 -4.239 1.00 0.00 C ATOM 959 O GLY A 62 -9.553 0.174 -5.002 1.00 0.00 O ATOM 0 H GLY A 62 -10.306 2.186 -5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.761 3.019 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.357 2.369 -3.352 1.00 0.00 H new ATOM 963 N TRP A 63 -7.891 0.677 -3.587 1.00 0.00 N ATOM 964 CA TRP A 63 -7.349 -0.676 -3.587 1.00 0.00 C ATOM 965 C TRP A 63 -7.834 -1.461 -2.368 1.00 0.00 C ATOM 966 O TRP A 63 -7.794 -0.969 -1.243 1.00 0.00 O ATOM 967 CB TRP A 63 -5.815 -0.648 -3.619 1.00 0.00 C ATOM 968 CG TRP A 63 -5.209 -2.006 -3.749 1.00 0.00 C ATOM 969 CD1 TRP A 63 -4.611 -2.734 -2.765 1.00 0.00 C ATOM 970 CD2 TRP A 63 -5.154 -2.802 -4.934 1.00 0.00 C ATOM 971 NE1 TRP A 63 -4.189 -3.939 -3.264 1.00 0.00 N ATOM 972 CE2 TRP A 63 -4.508 -4.004 -4.598 1.00 0.00 C ATOM 973 CE3 TRP A 63 -5.590 -2.614 -6.248 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -4.286 -5.014 -5.532 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -5.374 -3.613 -7.170 1.00 0.00 C ATOM 976 CH2 TRP A 63 -4.727 -4.801 -6.811 1.00 0.00 C ATOM 0 H TRP A 63 -7.347 1.353 -3.051 1.00 0.00 H new ATOM 0 HA TRP A 63 -7.708 -1.177 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.486 -0.028 -4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.447 -0.178 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -4.488 -2.410 -1.742 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.715 -4.668 -2.731 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -6.088 -1.700 -6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.785 -5.931 -5.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.709 -3.478 -8.188 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.572 -5.566 -7.558 1.00 0.00 H new ATOM 987 N CYS A 64 -8.308 -2.677 -2.606 1.00 0.00 N ATOM 988 CA CYS A 64 -8.711 -3.573 -1.529 1.00 0.00 C ATOM 989 C CYS A 64 -7.499 -4.098 -0.793 1.00 0.00 C ATOM 990 O CYS A 64 -6.704 -4.851 -1.356 1.00 0.00 O ATOM 991 CB CYS A 64 -9.520 -4.744 -2.075 1.00 0.00 C ATOM 992 SG CYS A 64 -11.133 -4.273 -2.772 1.00 0.00 S ATOM 0 H CYS A 64 -8.423 -3.068 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.332 -3.005 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.936 -5.247 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.679 -5.466 -1.274 1.00 0.00 H new ATOM 997 N ARG A 65 -7.368 -3.701 0.459 1.00 0.00 N ATOM 998 CA ARG A 65 -6.254 -4.115 1.290 1.00 0.00 C ATOM 999 C ARG A 65 -6.771 -4.575 2.649 1.00 0.00 C ATOM 1000 O ARG A 65 -7.788 -4.080 3.131 1.00 0.00 O ATOM 1001 CB ARG A 65 -5.278 -2.947 1.457 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.882 -3.236 0.937 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.884 -3.370 2.075 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.674 -4.068 1.649 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.913 -4.809 2.453 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.176 -4.868 3.752 1.00 0.00 N ATOM 1007 NH2 ARG A 65 0.120 -5.478 1.957 1.00 0.00 N ATOM 0 H ARG A 65 -8.030 -3.083 0.928 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.732 -4.945 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.676 -2.076 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.215 -2.686 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.893 -4.155 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.568 -2.435 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.621 -2.380 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.345 -3.910 2.902 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.393 -3.983 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.963 -4.345 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.592 -5.436 4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.331 -5.425 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.703 -6.045 2.572 1.00 0.00 H new ATOM 1021 N PRO A 66 -6.097 -5.561 3.271 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.472 -6.048 4.599 1.00 0.00 C ATOM 1023 C PRO A 66 -6.287 -4.968 5.662 1.00 0.00 C ATOM 1024 O PRO A 66 -6.872 -5.030 6.742 1.00 0.00 O ATOM 1025 CB PRO A 66 -5.528 -7.224 4.862 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.431 -7.112 3.859 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.942 -6.281 2.715 1.00 0.00 C ATOM 0 HA PRO A 66 -7.523 -6.335 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.132 -7.186 5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.053 -8.174 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.551 -6.649 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.129 -8.100 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.180 -5.590 2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.232 -6.905 1.870 1.00 0.00 H new ATOM 1035 N THR A 67 -5.466 -3.979 5.330 1.00 0.00 N ATOM 1036 CA THR A 67 -5.207 -2.848 6.204 1.00 0.00 C ATOM 1037 C THR A 67 -4.929 -1.619 5.351 1.00 0.00 C ATOM 1038 O THR A 67 -4.305 -1.727 4.296 1.00 0.00 O ATOM 1039 CB THR A 67 -3.990 -3.093 7.117 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.975 -4.450 7.578 1.00 0.00 O ATOM 1041 CG2 THR A 67 -4.013 -2.155 8.314 1.00 0.00 C ATOM 0 H THR A 67 -4.961 -3.941 4.444 1.00 0.00 H new ATOM 0 HA THR A 67 -6.085 -2.704 6.834 1.00 0.00 H new ATOM 0 HB THR A 67 -3.091 -2.899 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.196 -4.591 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.144 -2.347 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.989 -1.122 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.923 -2.323 8.890 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.383 -0.468 5.803 1.00 0.00 N ATOM 1050 CA CYS A 68 -5.201 0.767 5.055 1.00 0.00 C ATOM 1051 C CYS A 68 -4.110 1.621 5.685 1.00 0.00 C ATOM 1052 O CYS A 68 -4.002 1.702 6.910 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.521 1.535 4.988 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.834 0.639 4.094 1.00 0.00 S ATOM 0 H CYS A 68 -5.882 -0.358 6.686 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.889 0.520 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.861 1.747 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.350 2.495 4.501 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.295 2.239 4.843 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.178 3.050 5.309 1.00 0.00 C ATOM 1061 C PHE A 69 -2.540 4.534 5.299 1.00 0.00 C ATOM 1062 O PHE A 69 -3.570 4.929 4.756 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.952 2.791 4.432 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.426 1.384 4.530 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.411 1.022 5.572 1.00 0.00 C ATOM 1066 CD2 PHE A 69 -0.766 0.423 3.585 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.900 -0.265 5.672 1.00 0.00 C ATOM 1068 CE2 PHE A 69 -0.278 -0.865 3.683 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.555 -1.210 4.727 1.00 0.00 C ATOM 0 H PHE A 69 -3.387 2.194 3.828 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.947 2.770 6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.207 3.003 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.161 3.486 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.685 1.756 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.419 0.686 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.553 -0.533 6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.549 -1.603 2.942 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.936 -2.217 4.805 1.00 0.00 H new ATOM 1079 N SER A 70 -1.682 5.350 5.899 1.00 0.00 N ATOM 1080 CA SER A 70 -1.931 6.784 6.024 1.00 0.00 C ATOM 1081 C SER A 70 -1.785 7.488 4.675 1.00 0.00 C ATOM 1082 O SER A 70 -0.706 7.967 4.325 1.00 0.00 O ATOM 1083 CB SER A 70 -0.974 7.389 7.050 1.00 0.00 C ATOM 1084 OG SER A 70 -1.145 6.790 8.325 1.00 0.00 O ATOM 0 H SER A 70 -0.801 5.042 6.310 1.00 0.00 H new ATOM 0 HA SER A 70 -2.956 6.928 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.055 7.253 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.146 8.463 7.123 1.00 0.00 H new ATOM 0 HG SER A 70 -0.520 7.194 8.963 1.00 0.00 H new ATOM 1090 N HIS A 71 -2.904 7.553 3.951 1.00 0.00 N ATOM 1091 CA HIS A 71 -2.990 8.082 2.586 1.00 0.00 C ATOM 1092 C HIS A 71 -4.238 7.493 1.952 1.00 0.00 C ATOM 1093 O HIS A 71 -4.666 7.893 0.869 1.00 0.00 O ATOM 1094 CB HIS A 71 -1.735 7.796 1.715 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.405 6.352 1.470 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.255 5.934 0.828 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -2.075 5.237 1.782 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.249 4.615 0.761 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.344 4.169 1.335 1.00 0.00 N ATOM 0 H HIS A 71 -3.803 7.230 4.308 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.042 9.169 2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.871 8.283 0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.875 8.267 2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.024 5.188 2.295 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.523 4.008 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.606 3.188 1.432 1.00 0.00 H new ATOM 1108 N GLU A 72 -4.805 6.527 2.664 1.00 0.00 N ATOM 1109 CA GLU A 72 -6.071 5.920 2.313 1.00 0.00 C ATOM 1110 C GLU A 72 -6.822 5.591 3.598 1.00 0.00 C ATOM 1111 O GLU A 72 -6.263 5.701 4.692 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.837 4.659 1.483 1.00 0.00 C ATOM 1113 CG GLU A 72 -5.068 3.583 2.231 1.00 0.00 C ATOM 1114 CD GLU A 72 -4.058 2.867 1.361 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.149 2.218 1.924 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.125 3.003 0.123 1.00 0.00 O ATOM 0 H GLU A 72 -4.388 6.142 3.512 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.664 6.609 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.799 4.256 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.291 4.924 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.554 4.035 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.772 2.856 2.636 1.00 0.00 H new ATOM 1123 N TYR A 73 -8.075 5.207 3.475 1.00 0.00 N ATOM 1124 CA TYR A 73 -8.881 4.878 4.636 1.00 0.00 C ATOM 1125 C TYR A 73 -9.827 3.736 4.323 1.00 0.00 C ATOM 1126 O TYR A 73 -9.970 3.333 3.170 1.00 0.00 O ATOM 1127 CB TYR A 73 -9.678 6.099 5.098 1.00 0.00 C ATOM 1128 CG TYR A 73 -10.541 6.712 4.018 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.733 6.113 3.621 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.162 7.893 3.402 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.524 6.676 2.640 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -10.946 8.463 2.417 1.00 0.00 C ATOM 1133 CZ TYR A 73 -12.126 7.851 2.040 1.00 0.00 C ATOM 1134 OH TYR A 73 -12.922 8.425 1.074 1.00 0.00 O ATOM 0 H TYR A 73 -8.560 5.114 2.582 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.210 4.569 5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.312 5.811 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.985 6.854 5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.045 5.191 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.241 8.375 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.447 6.200 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.637 9.383 1.944 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.502 9.249 0.751 1.00 0.00 H new ATOM 1144 N THR A 74 -10.489 3.247 5.357 1.00 0.00 N ATOM 1145 CA THR A 74 -11.427 2.153 5.225 1.00 0.00 C ATOM 1146 C THR A 74 -12.770 2.647 4.701 1.00 0.00 C ATOM 1147 O THR A 74 -13.603 3.134 5.467 1.00 0.00 O ATOM 1148 CB THR A 74 -11.651 1.454 6.580 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.397 0.990 7.103 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.605 0.281 6.436 1.00 0.00 C ATOM 0 H THR A 74 -10.390 3.599 6.309 1.00 0.00 H new ATOM 0 HA THR A 74 -10.999 1.444 4.516 1.00 0.00 H new ATOM 0 HB THR A 74 -12.091 2.177 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.368 1.146 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.746 -0.195 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.566 0.637 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.189 -0.442 5.734 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.969 2.546 3.398 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.275 2.814 2.825 1.00 0.00 C ATOM 1160 C ASP A 75 -15.148 1.586 3.017 1.00 0.00 C ATOM 1161 O ASP A 75 -14.863 0.519 2.467 1.00 0.00 O ATOM 1162 CB ASP A 75 -14.181 3.177 1.341 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.542 3.442 0.733 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -16.010 4.600 0.780 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -16.153 2.492 0.212 1.00 0.00 O ATOM 0 H ASP A 75 -12.251 2.283 2.723 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.714 3.672 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.553 4.060 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.694 2.366 0.800 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.185 1.739 3.825 1.00 0.00 N ATOM 1171 CA TRP A 76 -17.038 0.628 4.219 1.00 0.00 C ATOM 1172 C TRP A 76 -18.039 0.253 3.134 1.00 0.00 C ATOM 1173 O TRP A 76 -18.572 -0.856 3.136 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.755 0.964 5.523 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.831 0.940 6.699 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.198 2.003 7.276 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.416 -0.217 7.426 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.422 1.574 8.324 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.539 0.215 8.437 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.708 -1.578 7.323 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -14.948 -0.668 9.335 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.121 -2.453 8.213 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.250 -1.995 9.208 1.00 0.00 C ATOM 0 H TRP A 76 -16.459 2.636 4.226 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.400 -0.242 4.371 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.210 1.951 5.441 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.564 0.252 5.684 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.294 3.030 6.955 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -14.851 2.171 8.922 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.382 -1.939 6.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.275 -0.318 10.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.337 -3.509 8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -14.807 -2.705 9.890 1.00 0.00 H new ATOM 1194 N PHE A 77 -18.284 1.158 2.203 1.00 0.00 N ATOM 1195 CA PHE A 77 -19.183 0.866 1.096 1.00 0.00 C ATOM 1196 C PHE A 77 -18.537 -0.143 0.155 1.00 0.00 C ATOM 1197 O PHE A 77 -19.078 -1.224 -0.109 1.00 0.00 O ATOM 1198 CB PHE A 77 -19.540 2.148 0.338 1.00 0.00 C ATOM 1199 CG PHE A 77 -20.321 1.903 -0.920 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -21.572 1.309 -0.872 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -19.802 2.267 -2.151 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -22.290 1.084 -2.028 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -20.516 2.045 -3.311 1.00 0.00 C ATOM 1204 CZ PHE A 77 -21.762 1.453 -3.248 1.00 0.00 C ATOM 0 H PHE A 77 -17.878 2.094 2.189 1.00 0.00 H new ATOM 0 HA PHE A 77 -20.103 0.439 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -20.118 2.799 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -18.622 2.680 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -21.989 1.019 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.828 2.730 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -23.264 0.620 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.101 2.334 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 77 -22.323 1.279 -4.154 1.00 0.00 H new ATOM 1214 N ASN A 78 -17.359 0.199 -0.327 1.00 0.00 N ATOM 1215 CA ASN A 78 -16.634 -0.675 -1.222 1.00 0.00 C ATOM 1216 C ASN A 78 -15.953 -1.788 -0.438 1.00 0.00 C ATOM 1217 O ASN A 78 -15.478 -2.760 -1.007 1.00 0.00 O ATOM 1218 CB ASN A 78 -15.622 0.112 -2.045 1.00 0.00 C ATOM 1219 CG ASN A 78 -16.275 1.150 -2.934 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -16.697 0.846 -4.049 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -16.358 2.382 -2.455 1.00 0.00 N ATOM 0 H ASN A 78 -16.885 1.076 -0.113 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.344 -1.129 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.918 0.605 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.045 -0.578 -2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.784 3.120 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.996 2.593 -1.525 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.910 -1.644 0.878 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.490 -2.734 1.754 1.00 0.00 C ATOM 1230 C ASN A 79 -16.385 -3.940 1.492 1.00 0.00 C ATOM 1231 O ASN A 79 -15.930 -5.083 1.431 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.604 -2.289 3.216 1.00 0.00 C ATOM 1233 CG ASN A 79 -14.958 -3.232 4.212 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -14.899 -4.441 4.015 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.471 -2.669 5.306 1.00 0.00 N ATOM 0 H ASN A 79 -16.160 -0.784 1.366 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.453 -3.003 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.149 -1.304 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.659 -2.181 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.027 -3.245 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.539 -1.659 5.434 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.664 -3.652 1.283 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.649 -4.675 0.974 1.00 0.00 C ATOM 1244 C ASP A 80 -18.344 -5.338 -0.369 1.00 0.00 C ATOM 1245 O ASP A 80 -18.466 -6.557 -0.505 1.00 0.00 O ATOM 1246 CB ASP A 80 -20.052 -4.061 0.964 1.00 0.00 C ATOM 1247 CG ASP A 80 -21.132 -5.055 0.593 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -21.525 -5.863 1.458 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -21.607 -5.023 -0.562 1.00 0.00 O ATOM 0 H ASP A 80 -18.044 -2.706 1.323 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.605 -5.444 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.269 -3.649 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.074 -3.230 0.259 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.929 -4.543 -1.361 1.00 0.00 N ATOM 1255 CA VAL A 81 -17.584 -5.097 -2.672 1.00 0.00 C ATOM 1256 C VAL A 81 -16.253 -5.847 -2.620 1.00 0.00 C ATOM 1257 O VAL A 81 -15.956 -6.668 -3.489 1.00 0.00 O ATOM 1258 CB VAL A 81 -17.521 -4.023 -3.790 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -18.713 -3.085 -3.714 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -16.220 -3.236 -3.763 1.00 0.00 C ATOM 0 H VAL A 81 -17.825 -3.531 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 81 -18.389 -5.788 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.557 -4.557 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.643 -2.343 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.634 -3.656 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.719 -2.582 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.225 -2.497 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.121 -2.729 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.380 -3.917 -3.902 1.00 0.00 H new ATOM 1270 N CYS A 82 -15.453 -5.553 -1.606 1.00 0.00 N ATOM 1271 CA CYS A 82 -14.174 -6.224 -1.418 1.00 0.00 C ATOM 1272 C CYS A 82 -14.360 -7.597 -0.787 1.00 0.00 C ATOM 1273 O CYS A 82 -13.716 -8.566 -1.191 1.00 0.00 O ATOM 1274 CB CYS A 82 -13.244 -5.376 -0.554 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.685 -3.838 -1.353 1.00 0.00 S ATOM 0 H CYS A 82 -15.668 -4.851 -0.898 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.722 -6.356 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.757 -5.125 0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.371 -5.971 -0.286 1.00 0.00 H new ATOM 1280 N GLY A 83 -15.237 -7.676 0.203 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.497 -8.939 0.860 1.00 0.00 C ATOM 1282 C GLY A 83 -14.867 -9.005 2.233 1.00 0.00 C ATOM 1283 O GLY A 83 -15.496 -8.644 3.228 1.00 0.00 O ATOM 0 H GLY A 83 -15.773 -6.887 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.573 -9.087 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.112 -9.753 0.245 1.00 0.00 H new ATOM 1287 N SER A 84 -13.624 -9.458 2.292 1.00 0.00 N ATOM 1288 CA SER A 84 -12.910 -9.545 3.555 1.00 0.00 C ATOM 1289 C SER A 84 -12.000 -8.333 3.724 1.00 0.00 C ATOM 1290 O SER A 84 -11.812 -7.828 4.832 1.00 0.00 O ATOM 1291 CB SER A 84 -12.097 -10.841 3.618 1.00 0.00 C ATOM 1292 OG SER A 84 -11.571 -11.062 4.915 1.00 0.00 O ATOM 0 H SER A 84 -13.090 -9.770 1.481 1.00 0.00 H new ATOM 0 HA SER A 84 -13.634 -9.554 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.729 -11.682 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.281 -10.795 2.896 1.00 0.00 H new ATOM 0 HG SER A 84 -11.059 -11.897 4.922 1.00 0.00 H new ATOM 1298 N TYR A 85 -11.430 -7.873 2.619 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.607 -6.673 2.632 1.00 0.00 C ATOM 1300 C TYR A 85 -11.468 -5.429 2.710 1.00 0.00 C ATOM 1301 O TYR A 85 -12.651 -5.451 2.378 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.726 -6.599 1.383 1.00 0.00 C ATOM 1303 CG TYR A 85 -8.530 -7.519 1.422 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -7.562 -7.475 0.429 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -8.365 -8.433 2.454 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -6.480 -8.310 0.463 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -7.278 -9.271 2.494 1.00 0.00 C ATOM 1308 CZ TYR A 85 -6.336 -9.208 1.494 1.00 0.00 C ATOM 1309 OH TYR A 85 -5.258 -10.057 1.515 1.00 0.00 O ATOM 0 H TYR A 85 -11.523 -8.313 1.703 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.970 -6.724 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.331 -6.842 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.379 -5.574 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.665 -6.770 -0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.105 -8.486 3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.738 -8.264 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.164 -9.975 3.305 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.430 -9.534 1.526 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.862 -4.350 3.154 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.523 -3.066 3.187 1.00 0.00 C ATOM 1321 C ARG A 86 -11.045 -2.233 2.014 1.00 0.00 C ATOM 1322 O ARG A 86 -9.902 -2.374 1.574 1.00 0.00 O ATOM 1323 CB ARG A 86 -11.243 -2.351 4.509 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.766 -2.251 4.860 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.501 -2.712 6.285 1.00 0.00 C ATOM 1326 NE ARG A 86 -10.122 -1.843 7.285 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.686 -2.284 8.412 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.772 -3.590 8.654 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -11.176 -1.417 9.292 1.00 0.00 N ATOM 0 H ARG A 86 -9.903 -4.338 3.500 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.601 -3.211 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.663 -1.346 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.761 -2.877 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.184 -2.857 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.431 -1.220 4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.876 -3.728 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.425 -2.746 6.457 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.124 -0.838 7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.406 -4.259 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.204 -3.921 9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.121 -0.416 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.607 -1.753 10.153 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.915 -1.385 1.492 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.558 -0.586 0.341 1.00 0.00 C ATOM 1345 C CYS A 87 -10.764 0.625 0.775 1.00 0.00 C ATOM 1346 O CYS A 87 -11.285 1.512 1.453 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.795 -0.145 -0.424 1.00 0.00 C ATOM 1348 SG CYS A 87 -12.412 0.687 -2.002 1.00 0.00 S ATOM 0 H CYS A 87 -12.861 -1.236 1.844 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.947 -1.200 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -13.420 -1.016 -0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -13.379 0.530 0.202 1.00 0.00 H new ATOM 1353 N CYS A 88 -9.504 0.651 0.398 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.626 1.732 0.779 1.00 0.00 C ATOM 1355 C CYS A 88 -8.770 2.912 -0.175 1.00 0.00 C ATOM 1356 O CYS A 88 -8.076 3.015 -1.189 1.00 0.00 O ATOM 1357 CB CYS A 88 -7.189 1.229 0.839 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.918 0.004 2.165 1.00 0.00 S ATOM 0 H CYS A 88 -9.064 -0.069 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.906 2.087 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.926 0.783 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.519 2.076 0.991 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.707 3.785 0.159 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.953 4.999 -0.604 1.00 0.00 C ATOM 1365 C ARG A 89 -9.026 6.110 -0.116 1.00 0.00 C ATOM 1366 O ARG A 89 -8.860 6.289 1.086 1.00 0.00 O ATOM 1367 CB ARG A 89 -11.417 5.421 -0.447 1.00 0.00 C ATOM 1368 CG ARG A 89 -12.376 4.743 -1.411 1.00 0.00 C ATOM 1369 CD ARG A 89 -12.261 5.316 -2.814 1.00 0.00 C ATOM 1370 NE ARG A 89 -12.519 6.756 -2.845 1.00 0.00 N ATOM 1371 CZ ARG A 89 -13.507 7.330 -3.534 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -14.377 6.590 -4.210 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -13.637 8.649 -3.527 1.00 0.00 N ATOM 0 H ARG A 89 -10.319 3.672 0.967 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.753 4.811 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.736 5.207 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.487 6.500 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.170 3.673 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.398 4.862 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.263 5.119 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.967 4.808 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.902 7.362 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.294 5.573 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.129 7.038 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.982 9.223 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.392 9.090 -4.053 1.00 0.00 H new ATOM 1387 N PRO A 90 -8.402 6.850 -1.049 1.00 0.00 N ATOM 1388 CA PRO A 90 -7.434 7.913 -0.728 1.00 0.00 C ATOM 1389 C PRO A 90 -7.947 8.910 0.301 1.00 0.00 C ATOM 1390 O PRO A 90 -9.047 9.445 0.172 1.00 0.00 O ATOM 1391 CB PRO A 90 -7.226 8.612 -2.067 1.00 0.00 C ATOM 1392 CG PRO A 90 -7.489 7.556 -3.076 1.00 0.00 C ATOM 1393 CD PRO A 90 -8.584 6.704 -2.501 1.00 0.00 C ATOM 0 HA PRO A 90 -6.528 7.499 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.907 9.455 -2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.214 9.005 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.792 7.992 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.593 6.965 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.569 7.047 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.491 5.664 -2.815 1.00 0.00 H new ATOM 1401 N GLY A 91 -7.137 9.150 1.319 1.00 0.00 N ATOM 1402 CA GLY A 91 -7.498 10.083 2.358 1.00 0.00 C ATOM 1403 C GLY A 91 -7.118 9.565 3.725 1.00 0.00 C ATOM 1404 O GLY A 91 -6.077 8.913 3.887 1.00 0.00 O ATOM 0 H GLY A 91 -6.226 8.708 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.003 11.037 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.571 10.269 2.324 1.00 0.00 H new ATOM 1408 N ARG A 92 -7.960 9.847 4.709 1.00 0.00 N ATOM 1409 CA ARG A 92 -7.719 9.387 6.063 1.00 0.00 C ATOM 1410 C ARG A 92 -8.981 9.540 6.913 1.00 0.00 C ATOM 1411 O ARG A 92 -8.924 9.900 8.090 1.00 0.00 O ATOM 1412 CB ARG A 92 -6.558 10.170 6.662 1.00 0.00 C ATOM 1413 CG ARG A 92 -5.927 9.497 7.866 1.00 0.00 C ATOM 1414 CD ARG A 92 -4.766 10.305 8.422 1.00 0.00 C ATOM 1415 NE ARG A 92 -3.659 10.425 7.472 1.00 0.00 N ATOM 1416 CZ ARG A 92 -2.382 10.573 7.828 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -2.041 10.601 9.112 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -1.444 10.687 6.896 1.00 0.00 N ATOM 0 H ARG A 92 -8.814 10.392 4.592 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.459 8.329 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.796 10.315 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.910 11.160 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.680 9.361 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.577 8.504 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.117 11.301 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.406 9.835 9.337 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.878 10.394 6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.758 10.509 9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.063 10.714 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.700 10.661 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.467 10.800 7.167 1.00 0.00 H new HETATM 1432 N AAR A 93 -10.121 9.268 6.295 1.00 0.00 N HETATM 1433 CA AAR A 93 -11.409 9.317 6.968 1.00 0.00 C HETATM 1434 CB AAR A 93 -12.525 9.180 5.933 1.00 0.00 C HETATM 1435 CG AAR A 93 -12.701 10.408 5.056 1.00 0.00 C HETATM 1436 CD AAR A 93 -13.677 10.149 3.919 1.00 0.00 C HETATM 1437 NE AAR A 93 -14.972 9.670 4.396 1.00 0.00 N HETATM 1438 CZ AAR A 93 -15.779 8.870 3.695 1.00 0.00 C HETATM 1439 NH1 AAR A 93 -16.941 8.492 4.211 1.00 0.00 N HETATM 1440 NH2 AAR A 93 -15.424 8.442 2.487 1.00 0.00 N HETATM 1441 C AAR A 93 -11.520 8.213 8.019 1.00 0.00 C HETATM 1442 O AAR A 93 -11.151 8.406 9.177 1.00 0.00 O HETATM 1443 NT AAR A 93 -12.017 7.052 7.619 1.00 0.00 N HETATM 0 HH22 AAR A 93 -16.047 7.831 1.959 1.00 0.00 H new HETATM 0 HH21 AAR A 93 -14.529 8.725 2.089 1.00 0.00 H new HETATM 0 HH12 AAR A 93 -17.561 7.881 3.679 1.00 0.00 H new HETATM 0 HH11 AAR A 93 -17.215 8.812 5.140 1.00 0.00 H new HETATM 0 HG3 AAR A 93 -13.060 11.240 5.662 1.00 0.00 H new HETATM 0 HG2 AAR A 93 -11.735 10.705 4.647 1.00 0.00 H new HETATM 0 HE AAR A 93 -15.279 9.965 5.323 1.00 0.00 H new HETATM 0 HD3 AAR A 93 -13.820 11.067 3.350 1.00 0.00 H new HETATM 0 HD2 AAR A 93 -13.249 9.414 3.237 1.00 0.00 H new HETATM 0 HB3 AAR A 93 -12.316 8.319 5.299 1.00 0.00 H new HETATM 0 HB2 AAR A 93 -13.463 8.976 6.449 1.00 0.00 H new HETATM 0 HA AAR A 93 -11.503 10.275 7.480 1.00 0.00 H new HETATM 0 H AAR A 93 -12.773 6.568 7.135 1.00 0.00 H new HETATM 0 H AAR A 93 -10.079 9.157 5.282 1.00 0.00 H new TER 1459 AAR A 93