USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot -147:sc= 1.34 USER MOD Set 1.2: A 120 SER OG : rot -101:sc= 0.416 USER MOD Set 1.3: A 130 HIS : no HE2:sc= -11.7! C(o=-10!,f=-17!) USER MOD Set 2.1: A 69 ASN :FLIP amide:sc= -12.6! C(o=-20!,f=-19!) USER MOD Set 2.2: A 74 HIS : no HE2:sc= -4.28! C(o=-19!,f=-29!) USER MOD Set 2.3: A 97 GLN :FLIP amide:sc= -2.06! C(o=-20!,f=-19!) USER MOD Set 3.1: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 6 SER OG : rot -97:sc= 1.26 USER MOD Set 4.2: A 125 THR OG1 : rot -95:sc= 0.0791 USER MOD Set 4.3: A 126 ASN :FLIP amide:sc= -0.379! C(o=-3!,f=0.96!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= -0.096 (180deg=-0.582) USER MOD Single : A 8 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-5.1!) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0603) USER MOD Single : A 12 LYS NZ :NH3+ -110:sc= -0.661 (180deg=-2.22!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.0223 (180deg=-0.249) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.045 (180deg=-0.259) USER MOD Single : A 34 THR OG1 : rot -29:sc= 0.296 USER MOD Single : A 35 GLN : amide:sc= -2.98! C(o=-3!,f=-6.7!) USER MOD Single : A 40 THR OG1 : rot 120:sc= -2.3 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 46 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= -0.0569 (180deg=-0.559) USER MOD Single : A 65 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.041) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.128 F(o=-1.6!,f=-0.13) USER MOD Single : A 73 TYR OH : rot 81:sc= 1.59 USER MOD Single : A 76 THR OG1 : rot -170:sc= -1.12 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -63:sc= 0.0179 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 130:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -108:sc= -0.0505 (180deg=-1.58) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.0513 F(o=-2.1!,f=-0.051) USER MOD Single : A 109 THR OG1 : rot 64:sc= 1.04 USER MOD Single : A 113 ASN : amide:sc= -1.99! X(o=-2!,f=-1.9) USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.282) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -121:sc= -0.405 (180deg=-0.854) USER MOD Single : A 124 THR OG1 : rot -32:sc= -0.491! USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 133:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.701 17.163 3.401 1.00 0.00 N ATOM 2 CA GLY A 1 -24.652 16.171 2.333 1.00 0.00 C ATOM 3 C GLY A 1 -23.992 14.884 2.815 1.00 0.00 C ATOM 4 O GLY A 1 -24.585 14.116 3.571 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.154 18.030 3.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.249 16.786 4.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.734 17.381 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.662 15.957 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.099 16.572 1.484 1.00 0.00 H new ATOM 8 N ALA A 2 -22.761 14.656 2.368 1.00 0.00 N ATOM 9 CA ALA A 2 -22.028 13.457 2.759 1.00 0.00 C ATOM 10 C ALA A 2 -20.549 13.602 2.415 1.00 0.00 C ATOM 11 O ALA A 2 -20.158 13.490 1.253 1.00 0.00 O ATOM 12 CB ALA A 2 -22.603 12.235 2.043 1.00 0.00 C ATOM 0 H ALA A 2 -22.254 15.280 1.740 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.130 13.325 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.049 11.345 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.653 12.116 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.517 12.371 0.965 1.00 0.00 H new ATOM 18 N MET A 3 -19.733 13.848 3.433 1.00 0.00 N ATOM 19 CA MET A 3 -18.297 14.006 3.233 1.00 0.00 C ATOM 20 C MET A 3 -17.556 12.759 3.695 1.00 0.00 C ATOM 21 O MET A 3 -17.967 11.635 3.407 1.00 0.00 O ATOM 22 CB MET A 3 -17.791 15.217 4.018 1.00 0.00 C ATOM 23 CG MET A 3 -16.418 15.633 3.487 1.00 0.00 C ATOM 24 SD MET A 3 -16.605 17.056 2.384 1.00 0.00 S ATOM 25 CE MET A 3 -14.890 17.625 2.454 1.00 0.00 C ATOM 0 H MET A 3 -20.039 13.942 4.401 1.00 0.00 H new ATOM 0 HA MET A 3 -18.111 14.157 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.495 16.044 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.724 14.974 5.078 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.757 15.886 4.316 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.956 14.803 2.953 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.775 18.513 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.629 17.868 3.484 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.230 16.838 2.088 1.00 0.00 H new ATOM 35 N GLU A 4 -16.466 12.970 4.421 1.00 0.00 N ATOM 36 CA GLU A 4 -15.668 11.862 4.930 1.00 0.00 C ATOM 37 C GLU A 4 -15.084 11.054 3.772 1.00 0.00 C ATOM 38 O GLU A 4 -15.816 10.596 2.895 1.00 0.00 O ATOM 39 CB GLU A 4 -16.530 10.953 5.816 1.00 0.00 C ATOM 40 CG GLU A 4 -17.543 11.781 6.614 1.00 0.00 C ATOM 41 CD GLU A 4 -17.651 11.227 8.031 1.00 0.00 C ATOM 42 OE1 GLU A 4 -16.749 11.478 8.812 1.00 0.00 O ATOM 43 OE2 GLU A 4 -18.631 10.557 8.311 1.00 0.00 O ATOM 0 H GLU A 4 -16.115 13.895 4.670 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.850 12.268 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.054 10.225 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.893 10.391 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.232 12.825 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.517 11.752 6.126 1.00 0.00 H new ATOM 50 N LYS A 5 -13.760 10.893 3.770 1.00 0.00 N ATOM 51 CA LYS A 5 -13.086 10.149 2.705 1.00 0.00 C ATOM 52 C LYS A 5 -12.594 8.791 3.208 1.00 0.00 C ATOM 53 O LYS A 5 -11.765 8.713 4.116 1.00 0.00 O ATOM 54 CB LYS A 5 -11.902 10.963 2.174 1.00 0.00 C ATOM 55 CG LYS A 5 -12.417 12.077 1.256 1.00 0.00 C ATOM 56 CD LYS A 5 -12.594 11.543 -0.169 1.00 0.00 C ATOM 57 CE LYS A 5 -13.809 12.213 -0.817 1.00 0.00 C ATOM 58 NZ LYS A 5 -15.053 11.741 -0.147 1.00 0.00 N ATOM 0 H LYS A 5 -13.137 11.264 4.488 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.803 9.977 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.341 11.392 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.217 10.314 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.367 12.458 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.716 12.912 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.698 11.742 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.729 10.462 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.727 13.297 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.844 11.977 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.831 11.719 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.901 10.786 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.296 12.389 0.629 1.00 0.00 H new ATOM 72 N SER A 6 -13.108 7.724 2.601 1.00 0.00 N ATOM 73 CA SER A 6 -12.716 6.370 2.983 1.00 0.00 C ATOM 74 C SER A 6 -11.631 5.844 2.059 1.00 0.00 C ATOM 75 O SER A 6 -11.285 6.478 1.062 1.00 0.00 O ATOM 76 CB SER A 6 -13.926 5.438 2.940 1.00 0.00 C ATOM 77 OG SER A 6 -14.444 5.285 4.255 1.00 0.00 O ATOM 0 H SER A 6 -13.793 7.770 1.847 1.00 0.00 H new ATOM 0 HA SER A 6 -12.324 6.403 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.691 5.846 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.639 4.468 2.534 1.00 0.00 H new ATOM 0 HG SER A 6 -14.090 4.462 4.652 1.00 0.00 H new ATOM 83 N LEU A 7 -11.089 4.685 2.407 1.00 0.00 N ATOM 84 CA LEU A 7 -10.032 4.087 1.611 1.00 0.00 C ATOM 85 C LEU A 7 -10.518 3.812 0.186 1.00 0.00 C ATOM 86 O LEU A 7 -10.006 4.383 -0.778 1.00 0.00 O ATOM 87 CB LEU A 7 -9.576 2.780 2.265 1.00 0.00 C ATOM 88 CG LEU A 7 -8.631 3.093 3.429 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.721 1.983 4.476 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.195 3.180 2.914 1.00 0.00 C ATOM 0 H LEU A 7 -11.362 4.146 3.228 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.195 4.783 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.440 2.220 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.071 2.151 1.532 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.918 4.044 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.048 2.208 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.743 1.916 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.436 1.033 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.524 3.403 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.912 2.229 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.124 3.971 2.167 1.00 0.00 H new ATOM 102 N HIS A 8 -11.520 2.943 0.066 1.00 0.00 N ATOM 103 CA HIS A 8 -12.079 2.604 -1.242 1.00 0.00 C ATOM 104 C HIS A 8 -12.506 3.867 -1.978 1.00 0.00 C ATOM 105 O HIS A 8 -12.412 3.943 -3.203 1.00 0.00 O ATOM 106 CB HIS A 8 -13.281 1.674 -1.067 1.00 0.00 C ATOM 107 CG HIS A 8 -14.152 2.176 0.054 1.00 0.00 C ATOM 108 ND1 HIS A 8 -14.904 3.336 -0.058 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.401 1.686 1.315 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.563 3.505 1.103 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.293 2.529 1.975 1.00 0.00 N ATOM 0 H HIS A 8 -11.959 2.464 0.852 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.314 2.097 -1.830 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.854 1.627 -1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.941 0.661 -0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.971 0.786 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.230 4.330 1.306 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.661 2.424 2.921 1.00 0.00 H new ATOM 120 N GLU A 9 -12.962 4.858 -1.224 1.00 0.00 N ATOM 121 CA GLU A 9 -13.388 6.117 -1.819 1.00 0.00 C ATOM 122 C GLU A 9 -12.245 6.726 -2.624 1.00 0.00 C ATOM 123 O GLU A 9 -12.422 7.124 -3.775 1.00 0.00 O ATOM 124 CB GLU A 9 -13.824 7.092 -0.722 1.00 0.00 C ATOM 125 CG GLU A 9 -15.173 7.719 -1.088 1.00 0.00 C ATOM 126 CD GLU A 9 -15.037 8.537 -2.369 1.00 0.00 C ATOM 127 OE1 GLU A 9 -15.794 8.286 -3.292 1.00 0.00 O ATOM 128 OE2 GLU A 9 -14.179 9.404 -2.406 1.00 0.00 O ATOM 0 H GLU A 9 -13.046 4.816 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.231 5.926 -2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.903 6.569 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.073 7.872 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.922 6.938 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.520 8.356 -0.275 1.00 0.00 H new ATOM 135 N LYS A 10 -11.069 6.791 -2.011 1.00 0.00 N ATOM 136 CA LYS A 10 -9.906 7.350 -2.688 1.00 0.00 C ATOM 137 C LYS A 10 -9.542 6.506 -3.903 1.00 0.00 C ATOM 138 O LYS A 10 -9.377 7.027 -5.006 1.00 0.00 O ATOM 139 CB LYS A 10 -8.711 7.405 -1.732 1.00 0.00 C ATOM 140 CG LYS A 10 -7.885 8.662 -2.018 1.00 0.00 C ATOM 141 CD LYS A 10 -8.488 9.849 -1.264 1.00 0.00 C ATOM 142 CE LYS A 10 -8.117 11.152 -1.973 1.00 0.00 C ATOM 143 NZ LYS A 10 -8.676 12.305 -1.211 1.00 0.00 N ATOM 0 H LYS A 10 -10.897 6.468 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.154 8.360 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.058 7.413 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.093 6.515 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.851 8.509 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.872 8.866 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.572 9.747 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.121 9.865 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.033 11.242 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.508 11.150 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.237 13.187 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.704 12.353 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.477 12.181 -0.198 1.00 0.00 H new ATOM 157 N LEU A 11 -9.417 5.199 -3.694 1.00 0.00 N ATOM 158 CA LEU A 11 -9.073 4.297 -4.790 1.00 0.00 C ATOM 159 C LEU A 11 -10.123 4.375 -5.892 1.00 0.00 C ATOM 160 O LEU A 11 -9.847 4.066 -7.050 1.00 0.00 O ATOM 161 CB LEU A 11 -8.976 2.856 -4.285 1.00 0.00 C ATOM 162 CG LEU A 11 -8.102 2.816 -3.033 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.987 1.378 -2.527 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.710 3.357 -3.365 1.00 0.00 C ATOM 0 H LEU A 11 -9.546 4.745 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.107 4.603 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.970 2.470 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.552 2.215 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.556 3.433 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.363 1.355 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.979 0.997 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.537 0.755 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.086 3.329 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.257 2.743 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.794 4.385 -3.717 1.00 0.00 H new ATOM 176 N LYS A 12 -11.329 4.793 -5.522 1.00 0.00 N ATOM 177 CA LYS A 12 -12.412 4.908 -6.488 1.00 0.00 C ATOM 178 C LYS A 12 -12.361 6.258 -7.194 1.00 0.00 C ATOM 179 O LYS A 12 -12.782 6.383 -8.343 1.00 0.00 O ATOM 180 CB LYS A 12 -13.763 4.741 -5.786 1.00 0.00 C ATOM 181 CG LYS A 12 -14.102 3.260 -5.619 1.00 0.00 C ATOM 182 CD LYS A 12 -15.186 3.102 -4.552 1.00 0.00 C ATOM 183 CE LYS A 12 -15.900 1.766 -4.754 1.00 0.00 C ATOM 184 NZ LYS A 12 -14.888 0.675 -4.830 1.00 0.00 N ATOM 0 H LYS A 12 -11.579 5.055 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.294 4.120 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.734 5.226 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.543 5.235 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.446 2.846 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.211 2.702 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.743 3.144 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.900 3.923 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.590 1.581 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.493 1.792 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.847 0.307 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.955 1.048 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.155 -0.092 -4.180 1.00 0.00 H new ATOM 198 N GLN A 13 -11.843 7.264 -6.500 1.00 0.00 N ATOM 199 CA GLN A 13 -11.741 8.602 -7.074 1.00 0.00 C ATOM 200 C GLN A 13 -10.370 8.814 -7.709 1.00 0.00 C ATOM 201 O GLN A 13 -10.156 9.780 -8.441 1.00 0.00 O ATOM 202 CB GLN A 13 -11.966 9.656 -5.988 1.00 0.00 C ATOM 203 CG GLN A 13 -12.481 10.946 -6.629 1.00 0.00 C ATOM 204 CD GLN A 13 -12.079 12.145 -5.778 1.00 0.00 C ATOM 205 OE1 GLN A 13 -11.075 12.800 -6.060 1.00 0.00 O ATOM 206 NE2 GLN A 13 -12.805 12.473 -4.744 1.00 0.00 N ATOM 0 H GLN A 13 -11.489 7.182 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.506 8.702 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.684 9.290 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.035 9.849 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.074 11.050 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.566 10.906 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.636 11.930 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.541 13.273 -4.168 1.00 0.00 H new ATOM 215 N ASP A 14 -9.444 7.904 -7.423 1.00 0.00 N ATOM 216 CA ASP A 14 -8.096 8.001 -7.971 1.00 0.00 C ATOM 217 C ASP A 14 -7.994 7.238 -9.287 1.00 0.00 C ATOM 218 O ASP A 14 -7.897 6.011 -9.295 1.00 0.00 O ATOM 219 CB ASP A 14 -7.087 7.427 -6.974 1.00 0.00 C ATOM 220 CG ASP A 14 -6.723 8.466 -5.914 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.458 8.066 -4.792 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.708 9.643 -6.237 1.00 0.00 O ATOM 0 H ASP A 14 -9.601 7.097 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.875 9.053 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.506 6.542 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.188 7.108 -7.502 1.00 0.00 H new ATOM 227 N LYS A 15 -8.017 7.971 -10.397 1.00 0.00 N ATOM 228 CA LYS A 15 -7.928 7.352 -11.715 1.00 0.00 C ATOM 229 C LYS A 15 -6.602 6.614 -11.875 1.00 0.00 C ATOM 230 O LYS A 15 -6.433 5.808 -12.790 1.00 0.00 O ATOM 231 CB LYS A 15 -8.054 8.421 -12.802 1.00 0.00 C ATOM 232 CG LYS A 15 -9.461 8.377 -13.405 1.00 0.00 C ATOM 233 CD LYS A 15 -9.586 9.446 -14.490 1.00 0.00 C ATOM 234 CE LYS A 15 -9.554 8.781 -15.867 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.821 8.028 -16.083 1.00 0.00 N ATOM 0 H LYS A 15 -8.096 8.988 -10.410 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.742 6.634 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.859 9.407 -12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.309 8.253 -13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.656 7.391 -13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.206 8.544 -12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.516 10.001 -14.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.772 10.165 -14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.429 9.535 -16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.701 8.106 -15.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.011 7.954 -17.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.732 7.075 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.606 8.529 -15.620 1.00 0.00 H new ATOM 249 N ARG A 16 -5.662 6.894 -10.977 1.00 0.00 N ATOM 250 CA ARG A 16 -4.351 6.252 -11.024 1.00 0.00 C ATOM 251 C ARG A 16 -4.422 4.841 -10.448 1.00 0.00 C ATOM 252 O ARG A 16 -3.660 3.959 -10.841 1.00 0.00 O ATOM 253 CB ARG A 16 -3.339 7.079 -10.230 1.00 0.00 C ATOM 254 CG ARG A 16 -3.415 8.540 -10.678 1.00 0.00 C ATOM 255 CD ARG A 16 -2.352 9.361 -9.945 1.00 0.00 C ATOM 256 NE ARG A 16 -1.537 10.107 -10.900 1.00 0.00 N ATOM 257 CZ ARG A 16 -2.080 11.006 -11.716 1.00 0.00 C ATOM 258 NH1 ARG A 16 -3.363 11.238 -11.673 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.328 11.661 -12.560 1.00 0.00 N ATOM 0 H ARG A 16 -5.782 7.557 -10.212 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.034 6.190 -12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.548 7.003 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.333 6.691 -10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.262 8.608 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.406 8.943 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.831 10.050 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.718 8.701 -9.353 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.532 9.935 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.951 10.730 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.778 11.928 -12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.324 11.483 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.745 12.350 -13.186 1.00 0.00 H new ATOM 273 N PHE A 17 -5.341 4.641 -9.508 1.00 0.00 N ATOM 274 CA PHE A 17 -5.508 3.334 -8.869 1.00 0.00 C ATOM 275 C PHE A 17 -6.788 2.644 -9.343 1.00 0.00 C ATOM 276 O PHE A 17 -7.371 1.820 -8.631 1.00 0.00 O ATOM 277 CB PHE A 17 -5.540 3.502 -7.347 1.00 0.00 C ATOM 278 CG PHE A 17 -4.550 4.567 -6.918 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.307 4.692 -7.563 1.00 0.00 C ATOM 280 CD2 PHE A 17 -4.875 5.429 -5.863 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.400 5.676 -7.150 1.00 0.00 C ATOM 282 CE2 PHE A 17 -3.966 6.411 -5.453 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.730 6.535 -6.094 1.00 0.00 C ATOM 0 H PHE A 17 -5.980 5.361 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.662 2.707 -9.151 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.544 3.778 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.299 2.555 -6.864 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.052 4.029 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.829 5.336 -5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.446 5.773 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.220 7.074 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.030 7.293 -5.775 1.00 0.00 H new ATOM 293 N SER A 18 -7.207 2.966 -10.559 1.00 0.00 N ATOM 294 CA SER A 18 -8.400 2.361 -11.132 1.00 0.00 C ATOM 295 C SER A 18 -8.170 0.871 -11.365 1.00 0.00 C ATOM 296 O SER A 18 -9.023 0.023 -11.051 1.00 0.00 O ATOM 297 CB SER A 18 -8.715 3.039 -12.463 1.00 0.00 C ATOM 298 OG SER A 18 -9.824 3.913 -12.301 1.00 0.00 O ATOM 0 H SER A 18 -6.740 3.640 -11.165 1.00 0.00 H new ATOM 0 HA SER A 18 -9.235 2.489 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.847 3.597 -12.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.938 2.289 -13.221 1.00 0.00 H new ATOM 0 HG SER A 18 -10.024 4.349 -13.155 1.00 0.00 H new ATOM 304 N THR A 19 -7.006 0.550 -11.911 1.00 0.00 N ATOM 305 CA THR A 19 -6.677 -0.838 -12.177 1.00 0.00 C ATOM 306 C THR A 19 -6.756 -1.636 -10.886 1.00 0.00 C ATOM 307 O THR A 19 -7.261 -2.759 -10.866 1.00 0.00 O ATOM 308 CB THR A 19 -5.271 -0.955 -12.767 1.00 0.00 C ATOM 309 OG1 THR A 19 -5.137 -0.056 -13.859 1.00 0.00 O ATOM 310 CG2 THR A 19 -5.047 -2.388 -13.250 1.00 0.00 C ATOM 0 H THR A 19 -6.285 1.222 -12.174 1.00 0.00 H new ATOM 0 HA THR A 19 -7.392 -1.234 -12.899 1.00 0.00 H new ATOM 0 HB THR A 19 -4.532 -0.706 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.235 -0.130 -14.235 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.046 -2.477 -13.672 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.150 -3.075 -12.410 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.785 -2.634 -14.013 1.00 0.00 H new ATOM 318 N PHE A 20 -6.254 -1.041 -9.813 1.00 0.00 N ATOM 319 CA PHE A 20 -6.271 -1.692 -8.513 1.00 0.00 C ATOM 320 C PHE A 20 -7.685 -2.073 -8.137 1.00 0.00 C ATOM 321 O PHE A 20 -7.943 -3.189 -7.696 1.00 0.00 O ATOM 322 CB PHE A 20 -5.692 -0.761 -7.454 1.00 0.00 C ATOM 323 CG PHE A 20 -4.207 -0.999 -7.345 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.588 -0.947 -6.094 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.450 -1.273 -8.493 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.213 -1.169 -5.988 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.077 -1.495 -8.388 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.456 -1.443 -7.138 1.00 0.00 C ATOM 0 H PHE A 20 -5.832 -0.112 -9.818 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.663 -2.595 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.888 0.278 -7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.173 -0.940 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.171 -0.736 -5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.930 -1.312 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.732 -1.130 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.495 -1.707 -9.272 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.393 -1.614 -7.056 1.00 0.00 H new ATOM 338 N LEU A 21 -8.604 -1.142 -8.325 1.00 0.00 N ATOM 339 CA LEU A 21 -9.993 -1.408 -8.006 1.00 0.00 C ATOM 340 C LEU A 21 -10.463 -2.647 -8.750 1.00 0.00 C ATOM 341 O LEU A 21 -11.201 -3.471 -8.208 1.00 0.00 O ATOM 342 CB LEU A 21 -10.866 -0.219 -8.414 1.00 0.00 C ATOM 343 CG LEU A 21 -12.038 -0.055 -7.431 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.945 1.060 -7.908 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.835 -1.360 -7.348 1.00 0.00 C ATOM 0 H LEU A 21 -8.417 -0.209 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.079 -1.568 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.267 0.692 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.248 -0.369 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.646 0.189 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.776 1.176 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.381 1.991 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.332 0.816 -8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.663 -1.237 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.226 -1.611 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.184 -2.162 -7.000 1.00 0.00 H new ATOM 357 N SER A 22 -10.036 -2.769 -10.006 1.00 0.00 N ATOM 358 CA SER A 22 -10.445 -3.909 -10.832 1.00 0.00 C ATOM 359 C SER A 22 -9.900 -5.239 -10.304 1.00 0.00 C ATOM 360 O SER A 22 -10.659 -6.162 -10.002 1.00 0.00 O ATOM 361 CB SER A 22 -9.970 -3.713 -12.274 1.00 0.00 C ATOM 362 OG SER A 22 -11.071 -3.885 -13.157 1.00 0.00 O ATOM 0 H SER A 22 -9.417 -2.105 -10.470 1.00 0.00 H new ATOM 0 HA SER A 22 -11.533 -3.952 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.542 -2.718 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.183 -4.429 -12.511 1.00 0.00 H new ATOM 0 HG SER A 22 -10.772 -3.759 -14.082 1.00 0.00 H new ATOM 368 N LEU A 23 -8.585 -5.336 -10.216 1.00 0.00 N ATOM 369 CA LEU A 23 -7.933 -6.562 -9.753 1.00 0.00 C ATOM 370 C LEU A 23 -8.219 -6.847 -8.277 1.00 0.00 C ATOM 371 O LEU A 23 -8.479 -7.992 -7.905 1.00 0.00 O ATOM 372 CB LEU A 23 -6.416 -6.456 -9.967 1.00 0.00 C ATOM 373 CG LEU A 23 -5.883 -5.173 -9.303 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.320 -5.481 -7.912 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.762 -4.565 -10.153 1.00 0.00 C ATOM 0 H LEU A 23 -7.941 -4.583 -10.458 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.340 -7.388 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.918 -7.329 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.190 -6.445 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.712 -4.471 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.948 -4.562 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.107 -5.902 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.504 -6.198 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.393 -3.658 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.947 -5.283 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.148 -4.321 -11.143 1.00 0.00 H new ATOM 387 N LEU A 24 -8.153 -5.817 -7.435 1.00 0.00 N ATOM 388 CA LEU A 24 -8.391 -6.018 -6.008 1.00 0.00 C ATOM 389 C LEU A 24 -9.829 -6.443 -5.773 1.00 0.00 C ATOM 390 O LEU A 24 -10.122 -7.178 -4.831 1.00 0.00 O ATOM 391 CB LEU A 24 -8.059 -4.745 -5.210 1.00 0.00 C ATOM 392 CG LEU A 24 -9.287 -3.821 -5.095 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.236 -4.274 -3.973 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.801 -2.414 -4.771 1.00 0.00 C ATOM 0 H LEU A 24 -7.942 -4.857 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.732 -6.812 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.712 -5.018 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.243 -4.210 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.830 -3.853 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.089 -3.598 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.586 -5.286 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.706 -4.260 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.657 -1.744 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.254 -2.426 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.144 -2.064 -5.567 1.00 0.00 H new ATOM 406 N GLU A 25 -10.722 -5.989 -6.637 1.00 0.00 N ATOM 407 CA GLU A 25 -12.119 -6.343 -6.510 1.00 0.00 C ATOM 408 C GLU A 25 -12.346 -7.809 -6.876 1.00 0.00 C ATOM 409 O GLU A 25 -13.163 -8.488 -6.257 1.00 0.00 O ATOM 410 CB GLU A 25 -12.947 -5.453 -7.431 1.00 0.00 C ATOM 411 CG GLU A 25 -14.338 -6.045 -7.592 1.00 0.00 C ATOM 412 CD GLU A 25 -15.316 -4.962 -8.037 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.486 -4.006 -7.298 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.874 -5.101 -9.112 1.00 0.00 O ATOM 0 H GLU A 25 -10.504 -5.380 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.424 -6.197 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.014 -4.447 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.462 -5.367 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.317 -6.851 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.669 -6.480 -6.649 1.00 0.00 H new ATOM 421 N ALA A 26 -11.619 -8.296 -7.879 1.00 0.00 N ATOM 422 CA ALA A 26 -11.764 -9.686 -8.303 1.00 0.00 C ATOM 423 C ALA A 26 -11.267 -10.637 -7.220 1.00 0.00 C ATOM 424 O ALA A 26 -11.834 -11.712 -7.014 1.00 0.00 O ATOM 425 CB ALA A 26 -10.979 -9.930 -9.595 1.00 0.00 C ATOM 0 H ALA A 26 -10.933 -7.757 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.823 -9.876 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.095 -10.970 -9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.359 -9.276 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.923 -9.718 -9.425 1.00 0.00 H new ATOM 431 N ALA A 27 -10.208 -10.234 -6.528 1.00 0.00 N ATOM 432 CA ALA A 27 -9.642 -11.057 -5.465 1.00 0.00 C ATOM 433 C ALA A 27 -10.512 -10.979 -4.215 1.00 0.00 C ATOM 434 O ALA A 27 -10.338 -11.758 -3.278 1.00 0.00 O ATOM 435 CB ALA A 27 -8.229 -10.582 -5.131 1.00 0.00 C ATOM 0 H ALA A 27 -9.726 -9.348 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.605 -12.090 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.815 -11.203 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.600 -10.660 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.263 -9.544 -4.800 1.00 0.00 H new ATOM 441 N ASP A 28 -11.446 -10.031 -4.209 1.00 0.00 N ATOM 442 CA ASP A 28 -12.343 -9.855 -3.068 1.00 0.00 C ATOM 443 C ASP A 28 -11.652 -9.060 -1.962 1.00 0.00 C ATOM 444 O ASP A 28 -11.778 -9.388 -0.782 1.00 0.00 O ATOM 445 CB ASP A 28 -12.785 -11.224 -2.524 1.00 0.00 C ATOM 446 CG ASP A 28 -14.220 -11.155 -2.008 1.00 0.00 C ATOM 447 OD1 ASP A 28 -15.101 -11.640 -2.700 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.416 -10.624 -0.928 1.00 0.00 O ATOM 0 H ASP A 28 -11.602 -9.376 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.221 -9.303 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.710 -11.976 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.118 -11.536 -1.720 1.00 0.00 H new ATOM 453 N LEU A 29 -10.924 -8.011 -2.351 1.00 0.00 N ATOM 454 CA LEU A 29 -10.223 -7.177 -1.379 1.00 0.00 C ATOM 455 C LEU A 29 -10.966 -5.865 -1.168 1.00 0.00 C ATOM 456 O LEU A 29 -10.400 -4.878 -0.695 1.00 0.00 O ATOM 457 CB LEU A 29 -8.784 -6.903 -1.841 1.00 0.00 C ATOM 458 CG LEU A 29 -7.818 -7.872 -1.142 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.674 -7.537 0.338 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.327 -9.309 -1.274 1.00 0.00 C ATOM 0 H LEU A 29 -10.806 -7.723 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.187 -7.714 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.711 -7.020 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.509 -5.873 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.845 -7.773 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.984 -8.240 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.287 -6.524 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.647 -7.607 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.635 -9.987 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.311 -9.390 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.398 -9.574 -2.329 1.00 0.00 H new ATOM 472 N LYS A 30 -12.245 -5.873 -1.514 1.00 0.00 N ATOM 473 CA LYS A 30 -13.086 -4.695 -1.362 1.00 0.00 C ATOM 474 C LYS A 30 -14.065 -4.875 -0.207 1.00 0.00 C ATOM 475 O LYS A 30 -14.635 -3.903 0.289 1.00 0.00 O ATOM 476 CB LYS A 30 -13.856 -4.397 -2.665 1.00 0.00 C ATOM 477 CG LYS A 30 -14.387 -5.680 -3.340 1.00 0.00 C ATOM 478 CD LYS A 30 -15.776 -6.038 -2.804 1.00 0.00 C ATOM 479 CE LYS A 30 -15.928 -7.558 -2.782 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.682 -8.101 -4.149 1.00 0.00 N ATOM 0 H LYS A 30 -12.724 -6.685 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.436 -3.848 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.692 -3.732 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.201 -3.869 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.434 -5.536 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.698 -6.505 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.908 -5.633 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.548 -5.592 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.224 -7.995 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.929 -7.829 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.996 -9.092 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.213 -7.540 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.666 -8.050 -4.365 1.00 0.00 H new ATOM 494 N GLU A 31 -14.262 -6.120 0.217 1.00 0.00 N ATOM 495 CA GLU A 31 -15.186 -6.400 1.313 1.00 0.00 C ATOM 496 C GLU A 31 -14.586 -5.975 2.649 1.00 0.00 C ATOM 497 O GLU A 31 -15.095 -5.081 3.305 1.00 0.00 O ATOM 498 CB GLU A 31 -15.497 -7.896 1.353 1.00 0.00 C ATOM 499 CG GLU A 31 -17.008 -8.104 1.452 1.00 0.00 C ATOM 500 CD GLU A 31 -17.321 -9.595 1.500 1.00 0.00 C ATOM 501 OE1 GLU A 31 -17.484 -10.112 2.593 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.390 -10.200 0.443 1.00 0.00 O ATOM 0 H GLU A 31 -13.802 -6.941 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.102 -5.834 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.111 -8.382 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.000 -8.358 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.394 -7.613 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.504 -7.646 0.596 1.00 0.00 H new ATOM 509 N LEU A 32 -13.491 -6.604 3.035 1.00 0.00 N ATOM 510 CA LEU A 32 -12.827 -6.262 4.289 1.00 0.00 C ATOM 511 C LEU A 32 -12.469 -4.775 4.327 1.00 0.00 C ATOM 512 O LEU A 32 -12.215 -4.211 5.391 1.00 0.00 O ATOM 513 CB LEU A 32 -11.563 -7.133 4.484 1.00 0.00 C ATOM 514 CG LEU A 32 -10.364 -6.615 3.656 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.122 -7.444 3.981 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.649 -6.740 2.156 1.00 0.00 C ATOM 0 H LEU A 32 -13.041 -7.351 2.505 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.517 -6.464 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.294 -7.148 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.784 -8.161 4.196 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.202 -5.567 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.277 -7.078 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.894 -7.356 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.308 -8.489 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.793 -6.370 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.825 -7.786 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.532 -6.153 1.903 1.00 0.00 H new ATOM 528 N LEU A 33 -12.417 -4.160 3.149 1.00 0.00 N ATOM 529 CA LEU A 33 -12.043 -2.753 3.032 1.00 0.00 C ATOM 530 C LEU A 33 -13.197 -1.829 3.385 1.00 0.00 C ATOM 531 O LEU A 33 -13.002 -0.629 3.578 1.00 0.00 O ATOM 532 CB LEU A 33 -11.600 -2.466 1.592 1.00 0.00 C ATOM 533 CG LEU A 33 -10.115 -2.093 1.544 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.874 -0.840 2.376 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.288 -3.244 2.107 1.00 0.00 C ATOM 0 H LEU A 33 -12.629 -4.614 2.261 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.230 -2.565 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.780 -3.343 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.197 -1.654 1.178 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.822 -1.901 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.817 -0.577 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.466 -0.018 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.166 -1.028 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.230 -2.982 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.583 -3.433 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.458 -4.140 1.511 1.00 0.00 H new ATOM 547 N THR A 34 -14.396 -2.380 3.462 1.00 0.00 N ATOM 548 CA THR A 34 -15.555 -1.570 3.785 1.00 0.00 C ATOM 549 C THR A 34 -15.819 -1.602 5.284 1.00 0.00 C ATOM 550 O THR A 34 -16.706 -0.916 5.788 1.00 0.00 O ATOM 551 CB THR A 34 -16.779 -2.086 3.017 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.847 -1.162 3.161 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.216 -3.458 3.545 1.00 0.00 C ATOM 0 H THR A 34 -14.590 -3.369 3.308 1.00 0.00 H new ATOM 0 HA THR A 34 -15.361 -0.539 3.491 1.00 0.00 H new ATOM 0 HB THR A 34 -16.513 -2.189 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.764 -0.697 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.085 -3.803 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.400 -4.171 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.473 -3.376 4.601 1.00 0.00 H new ATOM 561 N GLN A 35 -15.049 -2.427 5.986 1.00 0.00 N ATOM 562 CA GLN A 35 -15.222 -2.566 7.423 1.00 0.00 C ATOM 563 C GLN A 35 -14.501 -1.448 8.180 1.00 0.00 C ATOM 564 O GLN A 35 -13.554 -0.853 7.662 1.00 0.00 O ATOM 565 CB GLN A 35 -14.686 -3.921 7.873 1.00 0.00 C ATOM 566 CG GLN A 35 -15.846 -4.904 8.001 1.00 0.00 C ATOM 567 CD GLN A 35 -16.639 -4.960 6.699 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.528 -4.139 6.476 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.369 -5.886 5.821 1.00 0.00 N ATOM 0 H GLN A 35 -14.308 -3.003 5.587 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.286 -2.495 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.956 -4.293 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.171 -3.822 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.466 -5.896 8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.499 -4.602 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.632 -6.566 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.895 -5.930 4.948 1.00 0.00 H new ATOM 578 N PRO A 36 -14.919 -1.153 9.392 1.00 0.00 N ATOM 579 CA PRO A 36 -14.284 -0.090 10.223 1.00 0.00 C ATOM 580 C PRO A 36 -13.036 -0.591 10.942 1.00 0.00 C ATOM 581 O PRO A 36 -13.099 -1.549 11.711 1.00 0.00 O ATOM 582 CB PRO A 36 -15.374 0.254 11.231 1.00 0.00 C ATOM 583 CG PRO A 36 -16.124 -1.020 11.432 1.00 0.00 C ATOM 584 CD PRO A 36 -16.042 -1.789 10.112 1.00 0.00 C ATOM 0 HA PRO A 36 -13.949 0.757 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.947 0.614 12.167 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.026 1.042 10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.690 -1.601 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.161 -0.821 11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.858 -2.850 10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.971 -1.712 9.548 1.00 0.00 H new ATOM 592 N GLY A 37 -11.905 0.061 10.694 1.00 0.00 N ATOM 593 CA GLY A 37 -10.661 -0.337 11.334 1.00 0.00 C ATOM 594 C GLY A 37 -9.514 0.547 10.870 1.00 0.00 C ATOM 595 O GLY A 37 -9.616 1.222 9.849 1.00 0.00 O ATOM 0 H GLY A 37 -11.826 0.858 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.765 -0.269 12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.442 -1.379 11.100 1.00 0.00 H new ATOM 599 N ASP A 38 -8.426 0.536 11.623 1.00 0.00 N ATOM 600 CA ASP A 38 -7.262 1.340 11.270 1.00 0.00 C ATOM 601 C ASP A 38 -6.207 0.469 10.599 1.00 0.00 C ATOM 602 O ASP A 38 -5.660 -0.436 11.218 1.00 0.00 O ATOM 603 CB ASP A 38 -6.670 1.987 12.522 1.00 0.00 C ATOM 604 CG ASP A 38 -7.127 1.233 13.765 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.156 1.597 14.310 1.00 0.00 O ATOM 606 OD2 ASP A 38 -6.441 0.301 14.154 1.00 0.00 O ATOM 0 H ASP A 38 -8.322 -0.015 12.475 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.576 2.121 10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.582 1.982 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.981 3.030 12.584 1.00 0.00 H new ATOM 611 N TRP A 39 -5.939 0.741 9.325 1.00 0.00 N ATOM 612 CA TRP A 39 -4.953 -0.038 8.575 1.00 0.00 C ATOM 613 C TRP A 39 -4.175 0.872 7.624 1.00 0.00 C ATOM 614 O TRP A 39 -4.549 2.024 7.408 1.00 0.00 O ATOM 615 CB TRP A 39 -5.634 -1.146 7.753 1.00 0.00 C ATOM 616 CG TRP A 39 -6.255 -2.185 8.651 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.311 -1.974 9.446 1.00 0.00 C ATOM 618 CD2 TRP A 39 -5.897 -3.585 8.831 1.00 0.00 C ATOM 619 NE1 TRP A 39 -7.617 -3.133 10.129 1.00 0.00 N ATOM 620 CE2 TRP A 39 -6.771 -4.159 9.783 1.00 0.00 C ATOM 621 CE3 TRP A 39 -4.904 -4.396 8.281 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -6.661 -5.493 10.171 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -4.785 -5.739 8.666 1.00 0.00 C ATOM 624 CH2 TRP A 39 -5.661 -6.288 9.608 1.00 0.00 C ATOM 0 H TRP A 39 -6.385 1.488 8.792 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.273 -0.494 9.295 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.401 -0.709 7.113 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.902 -1.618 7.097 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.843 -1.039 9.539 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.376 -3.218 10.806 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.221 -3.986 7.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.342 -5.907 10.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.011 -6.354 8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.564 -7.324 9.899 1.00 0.00 H new ATOM 635 N THR A 40 -3.097 0.339 7.054 1.00 0.00 N ATOM 636 CA THR A 40 -2.275 1.103 6.120 1.00 0.00 C ATOM 637 C THR A 40 -1.811 0.207 4.980 1.00 0.00 C ATOM 638 O THR A 40 -1.206 -0.840 5.208 1.00 0.00 O ATOM 639 CB THR A 40 -1.059 1.690 6.843 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.497 2.424 7.974 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.275 2.616 5.908 1.00 0.00 C ATOM 0 H THR A 40 -2.774 -0.614 7.221 1.00 0.00 H new ATOM 0 HA THR A 40 -2.874 1.918 5.714 1.00 0.00 H new ATOM 0 HB THR A 40 -0.407 0.875 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.109 2.036 8.786 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.586 3.024 6.438 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.067 2.052 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.919 3.432 5.579 1.00 0.00 H new ATOM 649 N LEU A 41 -2.107 0.628 3.756 1.00 0.00 N ATOM 650 CA LEU A 41 -1.727 -0.138 2.575 1.00 0.00 C ATOM 651 C LEU A 41 -0.757 0.669 1.712 1.00 0.00 C ATOM 652 O LEU A 41 -0.862 1.899 1.619 1.00 0.00 O ATOM 653 CB LEU A 41 -2.986 -0.499 1.777 1.00 0.00 C ATOM 654 CG LEU A 41 -3.387 0.677 0.876 1.00 0.00 C ATOM 655 CD1 LEU A 41 -2.642 0.617 -0.462 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.888 0.620 0.600 1.00 0.00 C ATOM 0 H LEU A 41 -2.608 1.494 3.555 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.226 -1.055 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.802 -1.386 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.802 -0.742 2.458 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.128 1.603 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.942 1.460 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.568 0.663 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.885 -0.315 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.172 1.455 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.131 -0.318 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.434 0.682 1.542 1.00 0.00 H new ATOM 668 N PHE A 42 0.189 -0.029 1.090 1.00 0.00 N ATOM 669 CA PHE A 42 1.181 0.621 0.244 1.00 0.00 C ATOM 670 C PHE A 42 0.774 0.496 -1.217 1.00 0.00 C ATOM 671 O PHE A 42 0.970 -0.549 -1.828 1.00 0.00 O ATOM 672 CB PHE A 42 2.546 -0.037 0.465 1.00 0.00 C ATOM 673 CG PHE A 42 3.230 0.593 1.659 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.561 0.673 2.889 1.00 0.00 C ATOM 675 CD2 PHE A 42 4.529 1.102 1.537 1.00 0.00 C ATOM 676 CE1 PHE A 42 3.189 1.261 3.991 1.00 0.00 C ATOM 677 CE2 PHE A 42 5.157 1.688 2.644 1.00 0.00 C ATOM 678 CZ PHE A 42 4.485 1.767 3.870 1.00 0.00 C ATOM 0 H PHE A 42 0.288 -1.042 1.157 1.00 0.00 H new ATOM 0 HA PHE A 42 1.244 1.678 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.422 -1.108 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.165 0.080 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.560 0.280 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.046 1.043 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.671 1.324 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.160 2.079 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.969 2.220 4.723 1.00 0.00 H new ATOM 688 N VAL A 43 0.193 1.560 -1.773 1.00 0.00 N ATOM 689 CA VAL A 43 -0.246 1.511 -3.166 1.00 0.00 C ATOM 690 C VAL A 43 0.781 2.150 -4.114 1.00 0.00 C ATOM 691 O VAL A 43 0.926 3.374 -4.128 1.00 0.00 O ATOM 692 CB VAL A 43 -1.603 2.208 -3.353 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.650 3.564 -2.645 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.858 2.410 -4.846 1.00 0.00 C ATOM 0 H VAL A 43 0.019 2.444 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.346 0.455 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.372 1.574 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.626 4.023 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.483 3.423 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.874 4.213 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.819 2.904 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.066 3.028 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.870 1.442 -5.347 1.00 0.00 H new ATOM 704 N PRO A 44 1.481 1.375 -4.923 1.00 0.00 N ATOM 705 CA PRO A 44 2.472 1.930 -5.883 1.00 0.00 C ATOM 706 C PRO A 44 1.779 2.530 -7.104 1.00 0.00 C ATOM 707 O PRO A 44 0.788 1.984 -7.589 1.00 0.00 O ATOM 708 CB PRO A 44 3.317 0.719 -6.273 1.00 0.00 C ATOM 709 CG PRO A 44 2.437 -0.464 -6.085 1.00 0.00 C ATOM 710 CD PRO A 44 1.417 -0.096 -5.015 1.00 0.00 C ATOM 0 HA PRO A 44 3.065 2.738 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.656 0.795 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.208 0.647 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.939 -0.726 -7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.020 -1.333 -5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.417 -0.432 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.659 -0.563 -4.060 1.00 0.00 H new ATOM 718 N THR A 45 2.293 3.653 -7.593 1.00 0.00 N ATOM 719 CA THR A 45 1.694 4.305 -8.752 1.00 0.00 C ATOM 720 C THR A 45 1.988 3.525 -10.027 1.00 0.00 C ATOM 721 O THR A 45 2.893 2.698 -10.068 1.00 0.00 O ATOM 722 CB THR A 45 2.235 5.730 -8.881 1.00 0.00 C ATOM 723 OG1 THR A 45 3.517 5.803 -8.271 1.00 0.00 O ATOM 724 CG2 THR A 45 1.286 6.709 -8.187 1.00 0.00 C ATOM 0 H THR A 45 3.112 4.126 -7.211 1.00 0.00 H new ATOM 0 HA THR A 45 0.614 4.336 -8.609 1.00 0.00 H new ATOM 0 HB THR A 45 2.314 5.992 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.867 6.715 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.676 7.723 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.302 6.654 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.203 6.449 -7.132 1.00 0.00 H new ATOM 732 N ASN A 46 1.207 3.788 -11.066 1.00 0.00 N ATOM 733 CA ASN A 46 1.391 3.094 -12.332 1.00 0.00 C ATOM 734 C ASN A 46 2.874 3.008 -12.695 1.00 0.00 C ATOM 735 O ASN A 46 3.373 1.948 -13.081 1.00 0.00 O ATOM 736 CB ASN A 46 0.636 3.822 -13.446 1.00 0.00 C ATOM 737 CG ASN A 46 1.513 3.916 -14.690 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.903 2.894 -15.253 1.00 0.00 O ATOM 739 ND2 ASN A 46 1.849 5.089 -15.153 1.00 0.00 N ATOM 0 H ASN A 46 0.448 4.469 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 46 0.997 2.084 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.286 3.291 -13.680 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.353 4.821 -13.113 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.436 5.160 -15.984 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.524 5.935 -14.684 1.00 0.00 H new ATOM 746 N ASP A 47 3.571 4.135 -12.573 1.00 0.00 N ATOM 747 CA ASP A 47 4.994 4.187 -12.897 1.00 0.00 C ATOM 748 C ASP A 47 5.761 3.082 -12.177 1.00 0.00 C ATOM 749 O ASP A 47 6.781 2.599 -12.669 1.00 0.00 O ATOM 750 CB ASP A 47 5.571 5.547 -12.501 1.00 0.00 C ATOM 751 CG ASP A 47 6.968 5.371 -11.914 1.00 0.00 C ATOM 752 OD1 ASP A 47 7.848 4.949 -12.647 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.138 5.660 -10.741 1.00 0.00 O ATOM 0 H ASP A 47 3.176 5.020 -12.254 1.00 0.00 H new ATOM 0 HA ASP A 47 5.101 4.041 -13.972 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.614 6.201 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.920 6.029 -11.772 1.00 0.00 H new ATOM 758 N ALA A 48 5.267 2.695 -11.010 1.00 0.00 N ATOM 759 CA ALA A 48 5.909 1.654 -10.219 1.00 0.00 C ATOM 760 C ALA A 48 5.389 0.275 -10.608 1.00 0.00 C ATOM 761 O ALA A 48 6.055 -0.736 -10.392 1.00 0.00 O ATOM 762 CB ALA A 48 5.637 1.905 -8.750 1.00 0.00 C ATOM 0 H ALA A 48 4.424 3.086 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 48 6.982 1.681 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.116 1.128 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.038 2.878 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.562 1.889 -8.571 1.00 0.00 H new ATOM 768 N PHE A 49 4.190 0.247 -11.179 1.00 0.00 N ATOM 769 CA PHE A 49 3.576 -1.011 -11.597 1.00 0.00 C ATOM 770 C PHE A 49 3.896 -1.296 -13.058 1.00 0.00 C ATOM 771 O PHE A 49 3.442 -2.297 -13.621 1.00 0.00 O ATOM 772 CB PHE A 49 2.054 -0.938 -11.384 1.00 0.00 C ATOM 773 CG PHE A 49 1.332 -1.424 -12.619 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.201 -0.583 -13.732 1.00 0.00 C ATOM 775 CD2 PHE A 49 0.811 -2.723 -12.658 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.548 -1.041 -14.883 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.157 -3.180 -13.809 1.00 0.00 C ATOM 778 CZ PHE A 49 0.027 -2.340 -14.921 1.00 0.00 C ATOM 0 H PHE A 49 3.625 1.076 -11.363 1.00 0.00 H new ATOM 0 HA PHE A 49 3.980 -1.824 -10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.770 -1.545 -10.525 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.759 0.087 -11.161 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.604 0.419 -13.702 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.913 -3.372 -11.801 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.446 -0.393 -15.741 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.247 -4.181 -13.839 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.476 -2.694 -15.809 1.00 0.00 H new ATOM 788 N LYS A 50 4.694 -0.419 -13.661 1.00 0.00 N ATOM 789 CA LYS A 50 5.075 -0.586 -15.059 1.00 0.00 C ATOM 790 C LYS A 50 5.256 -2.058 -15.361 1.00 0.00 C ATOM 791 O LYS A 50 6.216 -2.673 -14.900 1.00 0.00 O ATOM 792 CB LYS A 50 6.391 0.136 -15.328 1.00 0.00 C ATOM 793 CG LYS A 50 6.122 1.629 -15.519 1.00 0.00 C ATOM 794 CD LYS A 50 7.408 2.445 -15.303 1.00 0.00 C ATOM 795 CE LYS A 50 8.157 2.570 -16.630 1.00 0.00 C ATOM 796 NZ LYS A 50 7.601 3.717 -17.399 1.00 0.00 N ATOM 0 H LYS A 50 5.086 0.407 -13.208 1.00 0.00 H new ATOM 0 HA LYS A 50 4.292 -0.168 -15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.079 -0.017 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.869 -0.275 -16.217 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.736 1.809 -16.522 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.355 1.958 -14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.164 3.434 -14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.040 1.959 -14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.221 2.720 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.059 1.649 -17.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.107 3.807 -18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.590 3.555 -17.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.717 4.592 -16.849 1.00 0.00 H new ATOM 810 N GLY A 51 4.295 -2.603 -16.112 1.00 0.00 N ATOM 811 CA GLY A 51 4.290 -4.014 -16.477 1.00 0.00 C ATOM 812 C GLY A 51 5.656 -4.654 -16.304 1.00 0.00 C ATOM 813 O GLY A 51 6.478 -4.619 -17.219 1.00 0.00 O ATOM 0 H GLY A 51 3.503 -2.077 -16.481 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.562 -4.544 -15.863 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.970 -4.119 -17.514 1.00 0.00 H new ATOM 817 N MET A 52 5.891 -5.221 -15.114 1.00 0.00 N ATOM 818 CA MET A 52 7.151 -5.875 -14.806 1.00 0.00 C ATOM 819 C MET A 52 7.606 -6.744 -15.965 1.00 0.00 C ATOM 820 O MET A 52 7.001 -6.769 -17.032 1.00 0.00 O ATOM 821 CB MET A 52 6.992 -6.750 -13.560 1.00 0.00 C ATOM 822 CG MET A 52 5.996 -6.109 -12.598 1.00 0.00 C ATOM 823 SD MET A 52 6.339 -4.336 -12.458 1.00 0.00 S ATOM 824 CE MET A 52 6.587 -4.289 -10.665 1.00 0.00 C ATOM 0 H MET A 52 5.215 -5.235 -14.350 1.00 0.00 H new ATOM 0 HA MET A 52 7.899 -5.103 -14.626 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.647 -7.744 -13.845 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.956 -6.876 -13.068 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.978 -6.265 -12.955 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.066 -6.581 -11.618 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.815 -3.269 -10.356 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.680 -4.626 -10.163 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.416 -4.944 -10.395 1.00 0.00 H new ATOM 834 N THR A 53 8.686 -7.458 -15.754 1.00 0.00 N ATOM 835 CA THR A 53 9.219 -8.307 -16.795 1.00 0.00 C ATOM 836 C THR A 53 8.242 -9.419 -17.123 1.00 0.00 C ATOM 837 O THR A 53 7.504 -9.886 -16.257 1.00 0.00 O ATOM 838 CB THR A 53 10.558 -8.879 -16.367 1.00 0.00 C ATOM 839 OG1 THR A 53 10.351 -9.935 -15.442 1.00 0.00 O ATOM 840 CG2 THR A 53 11.370 -7.769 -15.712 1.00 0.00 C ATOM 0 H THR A 53 9.210 -7.469 -14.879 1.00 0.00 H new ATOM 0 HA THR A 53 9.369 -7.709 -17.694 1.00 0.00 H new ATOM 0 HB THR A 53 11.094 -9.270 -17.232 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.216 -10.304 -15.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.337 -8.162 -15.398 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.522 -6.960 -16.426 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.833 -7.390 -14.843 1.00 0.00 H new ATOM 848 N SER A 54 8.235 -9.820 -18.381 1.00 0.00 N ATOM 849 CA SER A 54 7.331 -10.868 -18.831 1.00 0.00 C ATOM 850 C SER A 54 7.371 -12.049 -17.873 1.00 0.00 C ATOM 851 O SER A 54 6.394 -12.784 -17.733 1.00 0.00 O ATOM 852 CB SER A 54 7.720 -11.331 -20.233 1.00 0.00 C ATOM 853 OG SER A 54 6.690 -10.979 -21.147 1.00 0.00 O ATOM 0 H SER A 54 8.841 -9.440 -19.108 1.00 0.00 H new ATOM 0 HA SER A 54 6.319 -10.465 -18.854 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.661 -10.870 -20.533 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.877 -12.410 -20.242 1.00 0.00 H new ATOM 0 HG SER A 54 6.938 -11.273 -22.048 1.00 0.00 H new ATOM 859 N GLU A 55 8.508 -12.222 -17.215 1.00 0.00 N ATOM 860 CA GLU A 55 8.671 -13.313 -16.269 1.00 0.00 C ATOM 861 C GLU A 55 8.204 -12.895 -14.884 1.00 0.00 C ATOM 862 O GLU A 55 7.737 -13.721 -14.105 1.00 0.00 O ATOM 863 CB GLU A 55 10.140 -13.737 -16.210 1.00 0.00 C ATOM 864 CG GLU A 55 10.247 -15.136 -15.602 1.00 0.00 C ATOM 865 CD GLU A 55 11.707 -15.465 -15.306 1.00 0.00 C ATOM 866 OE1 GLU A 55 11.946 -16.433 -14.605 1.00 0.00 O ATOM 867 OE2 GLU A 55 12.564 -14.740 -15.786 1.00 0.00 O ATOM 0 H GLU A 55 9.327 -11.623 -17.319 1.00 0.00 H new ATOM 0 HA GLU A 55 8.064 -14.154 -16.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.571 -13.731 -17.211 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.710 -13.026 -15.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.660 -15.189 -14.685 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.831 -15.873 -16.289 1.00 0.00 H new ATOM 874 N GLU A 56 8.337 -11.612 -14.580 1.00 0.00 N ATOM 875 CA GLU A 56 7.929 -11.113 -13.277 1.00 0.00 C ATOM 876 C GLU A 56 6.413 -11.152 -13.135 1.00 0.00 C ATOM 877 O GLU A 56 5.877 -11.894 -12.306 1.00 0.00 O ATOM 878 CB GLU A 56 8.425 -9.675 -13.089 1.00 0.00 C ATOM 879 CG GLU A 56 9.844 -9.696 -12.522 1.00 0.00 C ATOM 880 CD GLU A 56 9.804 -10.017 -11.032 1.00 0.00 C ATOM 881 OE1 GLU A 56 10.853 -9.984 -10.410 1.00 0.00 O ATOM 882 OE2 GLU A 56 8.724 -10.293 -10.535 1.00 0.00 O ATOM 0 H GLU A 56 8.719 -10.906 -15.209 1.00 0.00 H new ATOM 0 HA GLU A 56 8.369 -11.753 -12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.410 -9.146 -14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.760 -9.135 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.443 -10.440 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.323 -8.730 -12.682 1.00 0.00 H new ATOM 889 N LYS A 57 5.730 -10.362 -13.958 1.00 0.00 N ATOM 890 CA LYS A 57 4.274 -10.310 -13.918 1.00 0.00 C ATOM 891 C LYS A 57 3.695 -11.713 -13.825 1.00 0.00 C ATOM 892 O LYS A 57 2.641 -11.929 -13.216 1.00 0.00 O ATOM 893 CB LYS A 57 3.734 -9.602 -15.167 1.00 0.00 C ATOM 894 CG LYS A 57 4.157 -10.368 -16.427 1.00 0.00 C ATOM 895 CD LYS A 57 3.648 -9.633 -17.676 1.00 0.00 C ATOM 896 CE LYS A 57 4.360 -8.284 -17.826 1.00 0.00 C ATOM 897 NZ LYS A 57 4.459 -7.935 -19.273 1.00 0.00 N ATOM 0 H LYS A 57 6.158 -9.753 -14.656 1.00 0.00 H new ATOM 0 HA LYS A 57 3.973 -9.748 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.647 -9.538 -15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.112 -8.580 -15.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.243 -10.457 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.755 -11.381 -16.400 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.821 -10.244 -18.562 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.572 -9.478 -17.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.812 -7.509 -17.290 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.355 -8.334 -17.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.942 -7.020 -19.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.000 -8.670 -19.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.504 -7.871 -19.681 1.00 0.00 H new ATOM 911 N GLU A 58 4.384 -12.667 -14.432 1.00 0.00 N ATOM 912 CA GLU A 58 3.924 -14.031 -14.413 1.00 0.00 C ATOM 913 C GLU A 58 4.093 -14.642 -13.024 1.00 0.00 C ATOM 914 O GLU A 58 3.147 -15.189 -12.459 1.00 0.00 O ATOM 915 CB GLU A 58 4.709 -14.848 -15.434 1.00 0.00 C ATOM 916 CG GLU A 58 4.132 -16.256 -15.501 1.00 0.00 C ATOM 917 CD GLU A 58 5.187 -17.274 -15.083 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.465 -18.165 -15.868 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.701 -17.148 -13.984 1.00 0.00 O ATOM 0 H GLU A 58 5.256 -12.516 -14.938 1.00 0.00 H new ATOM 0 HA GLU A 58 2.864 -14.044 -14.668 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.657 -14.374 -16.414 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.762 -14.887 -15.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.262 -16.333 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.790 -16.470 -16.514 1.00 0.00 H new ATOM 926 N ILE A 59 5.303 -14.545 -12.476 1.00 0.00 N ATOM 927 CA ILE A 59 5.577 -15.101 -11.153 1.00 0.00 C ATOM 928 C ILE A 59 4.464 -14.743 -10.175 1.00 0.00 C ATOM 929 O ILE A 59 4.177 -15.497 -9.245 1.00 0.00 O ATOM 930 CB ILE A 59 6.911 -14.573 -10.631 1.00 0.00 C ATOM 931 CG1 ILE A 59 8.053 -15.221 -11.421 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.062 -14.939 -9.154 1.00 0.00 C ATOM 933 CD1 ILE A 59 9.310 -14.344 -11.357 1.00 0.00 C ATOM 0 H ILE A 59 6.101 -14.092 -12.922 1.00 0.00 H new ATOM 0 HA ILE A 59 5.627 -16.186 -11.241 1.00 0.00 H new ATOM 0 HB ILE A 59 6.943 -13.490 -10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.270 -16.209 -11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.752 -15.362 -12.459 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.014 -14.562 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.247 -14.493 -8.584 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.032 -16.023 -9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.113 -14.817 -11.923 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.093 -13.365 -11.784 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.619 -14.226 -10.318 1.00 0.00 H new ATOM 945 N LEU A 60 3.844 -13.589 -10.379 1.00 0.00 N ATOM 946 CA LEU A 60 2.773 -13.159 -9.484 1.00 0.00 C ATOM 947 C LEU A 60 1.461 -13.869 -9.808 1.00 0.00 C ATOM 948 O LEU A 60 0.799 -14.401 -8.917 1.00 0.00 O ATOM 949 CB LEU A 60 2.570 -11.650 -9.573 1.00 0.00 C ATOM 950 CG LEU A 60 3.890 -10.975 -9.940 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.712 -9.462 -9.890 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.977 -11.391 -8.944 1.00 0.00 C ATOM 0 H LEU A 60 4.056 -12.943 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 60 3.071 -13.423 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.812 -11.419 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.206 -11.265 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 60 4.185 -11.279 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.652 -8.976 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.940 -9.163 -10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.417 -9.163 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.917 -10.908 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.684 -11.089 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.104 -12.473 -8.975 1.00 0.00 H new ATOM 964 N ILE A 61 1.081 -13.869 -11.082 1.00 0.00 N ATOM 965 CA ILE A 61 -0.168 -14.514 -11.488 1.00 0.00 C ATOM 966 C ILE A 61 0.026 -16.025 -11.647 1.00 0.00 C ATOM 967 O ILE A 61 -0.929 -16.762 -11.895 1.00 0.00 O ATOM 968 CB ILE A 61 -0.669 -13.908 -12.809 1.00 0.00 C ATOM 969 CG1 ILE A 61 0.223 -14.359 -13.965 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.637 -12.380 -12.732 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.528 -15.366 -14.837 1.00 0.00 C ATOM 0 H ILE A 61 1.608 -13.438 -11.841 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.911 -14.342 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.691 -14.248 -12.977 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.522 -13.498 -14.563 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.136 -14.810 -13.577 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.994 -11.961 -13.673 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.279 -12.043 -11.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.385 -12.046 -12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.113 -15.684 -15.660 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.804 -16.233 -14.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.428 -14.900 -15.238 1.00 0.00 H new ATOM 983 N ARG A 62 1.273 -16.473 -11.516 1.00 0.00 N ATOM 984 CA ARG A 62 1.593 -17.893 -11.657 1.00 0.00 C ATOM 985 C ARG A 62 0.856 -18.723 -10.613 1.00 0.00 C ATOM 986 O ARG A 62 0.400 -19.830 -10.899 1.00 0.00 O ATOM 987 CB ARG A 62 3.104 -18.107 -11.505 1.00 0.00 C ATOM 988 CG ARG A 62 3.464 -19.557 -11.835 1.00 0.00 C ATOM 989 CD ARG A 62 4.307 -20.140 -10.700 1.00 0.00 C ATOM 990 NE ARG A 62 5.466 -19.290 -10.450 1.00 0.00 N ATOM 991 CZ ARG A 62 6.074 -19.286 -9.267 1.00 0.00 C ATOM 992 NH1 ARG A 62 5.633 -20.049 -8.304 1.00 0.00 N ATOM 993 NH2 ARG A 62 7.110 -18.517 -9.069 1.00 0.00 N ATOM 0 H ARG A 62 2.075 -15.877 -11.313 1.00 0.00 H new ATOM 0 HA ARG A 62 1.275 -18.216 -12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.644 -17.430 -12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.412 -17.870 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.557 -20.147 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.016 -19.602 -12.774 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.705 -20.223 -9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.634 -21.147 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 62 5.816 -18.688 -11.195 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.822 -20.648 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.099 -20.046 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.453 -17.920 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.577 -18.514 -8.162 1.00 0.00 H new ATOM 1007 N ASP A 63 0.750 -18.185 -9.403 1.00 0.00 N ATOM 1008 CA ASP A 63 0.071 -18.886 -8.320 1.00 0.00 C ATOM 1009 C ASP A 63 -0.914 -17.960 -7.620 1.00 0.00 C ATOM 1010 O ASP A 63 -0.578 -16.827 -7.281 1.00 0.00 O ATOM 1011 CB ASP A 63 1.094 -19.400 -7.308 1.00 0.00 C ATOM 1012 CG ASP A 63 1.130 -20.923 -7.333 1.00 0.00 C ATOM 1013 OD1 ASP A 63 0.534 -21.525 -6.456 1.00 0.00 O ATOM 1014 OD2 ASP A 63 1.751 -21.466 -8.232 1.00 0.00 O ATOM 0 H ASP A 63 1.123 -17.271 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.475 -19.728 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.081 -19.001 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.837 -19.050 -6.308 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.130 -18.450 -7.408 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.155 -17.652 -6.749 1.00 0.00 C ATOM 1021 C LYS A 64 -2.614 -17.079 -5.444 1.00 0.00 C ATOM 1022 O LYS A 64 -2.927 -15.953 -5.075 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.396 -18.526 -6.486 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.295 -17.938 -5.373 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.776 -16.528 -5.742 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.290 -16.458 -5.560 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.636 -16.803 -4.153 1.00 0.00 N ATOM 0 H LYS A 64 -2.428 -19.387 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.439 -16.821 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.973 -18.621 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.079 -19.530 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.154 -18.589 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.742 -17.903 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.286 -15.786 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.509 -16.297 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.650 -15.458 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.782 -17.147 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.474 -16.262 -3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.840 -17.821 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.836 -16.568 -3.531 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.808 -17.865 -4.744 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.247 -17.419 -3.480 1.00 0.00 C ATOM 1043 C ASN A 65 -0.215 -16.321 -3.705 1.00 0.00 C ATOM 1044 O ASN A 65 -0.017 -15.453 -2.852 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.596 -18.595 -2.756 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.224 -18.750 -1.378 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.580 -19.856 -0.975 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.384 -17.694 -0.627 1.00 0.00 N ATOM 0 H ASN A 65 -1.531 -18.805 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.055 -17.018 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.728 -19.510 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.477 -18.430 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.805 -17.785 0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.087 -16.778 -0.965 1.00 0.00 H new ATOM 1055 N ALA A 66 0.442 -16.365 -4.857 1.00 0.00 N ATOM 1056 CA ALA A 66 1.460 -15.373 -5.172 1.00 0.00 C ATOM 1057 C ALA A 66 0.836 -14.008 -5.436 1.00 0.00 C ATOM 1058 O ALA A 66 1.110 -13.031 -4.728 1.00 0.00 O ATOM 1059 CB ALA A 66 2.247 -15.817 -6.405 1.00 0.00 C ATOM 0 H ALA A 66 0.291 -17.068 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 66 2.127 -15.288 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.008 -15.073 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.726 -16.775 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.569 -15.920 -7.252 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.020 -13.927 -6.443 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.641 -12.652 -6.725 1.00 0.00 C ATOM 1067 C LEU A 67 -1.353 -12.173 -5.469 1.00 0.00 C ATOM 1068 O LEU A 67 -1.415 -10.976 -5.207 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.596 -12.735 -7.941 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.078 -12.708 -7.518 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.951 -12.590 -8.756 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.427 -13.998 -6.781 1.00 0.00 C ATOM 0 H LEU A 67 -0.290 -14.698 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 67 0.125 -11.927 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.397 -11.902 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.395 -13.651 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.250 -11.856 -6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.000 -12.571 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.706 -11.670 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.774 -13.444 -9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.475 -13.975 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.255 -14.850 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.800 -14.091 -5.894 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.911 -13.110 -4.700 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.635 -12.733 -3.496 1.00 0.00 C ATOM 1086 C GLN A 68 -1.721 -11.970 -2.545 1.00 0.00 C ATOM 1087 O GLN A 68 -2.074 -10.897 -2.034 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.208 -13.957 -2.778 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.722 -14.059 -3.042 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.468 -13.117 -2.113 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.440 -11.837 -2.362 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.079 -13.551 -1.138 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.875 -14.112 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.464 -12.093 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.708 -14.861 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.021 -13.882 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.938 -13.808 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.060 -15.083 -2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.095 -14.554 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.569 -12.908 -0.516 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.543 -12.532 -2.306 1.00 0.00 N ATOM 1102 CA ASN A 69 0.413 -11.902 -1.414 1.00 0.00 C ATOM 1103 C ASN A 69 0.653 -10.461 -1.830 1.00 0.00 C ATOM 1104 O ASN A 69 0.703 -9.562 -0.990 1.00 0.00 O ATOM 1105 CB ASN A 69 1.739 -12.672 -1.426 1.00 0.00 C ATOM 1106 CG ASN A 69 2.763 -11.966 -2.318 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.887 -11.554 -1.818 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 2.542 -11.795 -3.508 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.232 -13.414 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 69 0.003 -11.916 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.128 -12.754 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.573 -13.687 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.662 -12.114 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.237 -11.333 -4.095 1.00 0.00 H new ATOM 1115 N ILE A 70 0.805 -10.245 -3.128 1.00 0.00 N ATOM 1116 CA ILE A 70 1.047 -8.896 -3.628 1.00 0.00 C ATOM 1117 C ILE A 70 -0.243 -8.085 -3.654 1.00 0.00 C ATOM 1118 O ILE A 70 -0.235 -6.884 -3.389 1.00 0.00 O ATOM 1119 CB ILE A 70 1.650 -8.958 -5.030 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.163 -9.215 -4.934 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.400 -7.628 -5.745 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.578 -10.243 -5.983 1.00 0.00 C ATOM 0 H ILE A 70 0.767 -10.970 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 70 1.749 -8.404 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 70 1.185 -9.769 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.710 -8.285 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.418 -9.575 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.829 -7.667 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.327 -7.449 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.866 -6.819 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.651 -10.423 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.042 -11.176 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.338 -9.866 -6.977 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.349 -8.740 -3.970 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.633 -8.056 -4.016 1.00 0.00 C ATOM 1136 C ILE A 71 -2.810 -7.194 -2.778 1.00 0.00 C ATOM 1137 O ILE A 71 -3.076 -6.003 -2.879 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.763 -9.078 -4.082 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.062 -9.452 -5.535 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.019 -8.524 -3.420 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.030 -8.442 -6.149 1.00 0.00 C ATOM 0 H ILE A 71 -1.385 -9.734 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.660 -7.424 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.447 -9.973 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.136 -9.476 -6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.492 -10.453 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.816 -9.265 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.809 -8.294 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.331 -7.616 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.236 -8.718 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.961 -8.439 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.585 -7.448 -6.120 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.678 -7.802 -1.600 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.844 -7.048 -0.360 1.00 0.00 C ATOM 1155 C LEU A 72 -1.966 -5.811 -0.353 1.00 0.00 C ATOM 1156 O LEU A 72 -2.044 -4.985 0.557 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.483 -7.929 0.817 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.462 -9.095 0.847 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.679 -10.390 1.026 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.458 -8.898 2.001 1.00 0.00 C ATOM 0 H LEU A 72 -2.462 -8.791 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.885 -6.732 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.460 -8.292 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.535 -7.363 1.747 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.022 -9.143 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.370 -11.233 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.984 -10.513 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.122 -10.352 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.159 -9.732 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.916 -8.854 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.006 -7.967 1.854 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.129 -5.692 -1.368 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.234 -4.554 -1.473 1.00 0.00 C ATOM 1174 C TYR A 73 0.396 -4.234 -0.124 1.00 0.00 C ATOM 1175 O TYR A 73 0.566 -3.065 0.233 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.993 -3.332 -2.000 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.383 -3.566 -3.444 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -2.735 -3.624 -3.808 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -0.390 -3.736 -4.417 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -3.092 -3.859 -5.141 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -0.748 -3.966 -5.751 1.00 0.00 C ATOM 1182 CZ TYR A 73 -2.098 -4.030 -6.112 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.451 -4.260 -7.427 1.00 0.00 O ATOM 0 H TYR A 73 -1.050 -6.367 -2.129 1.00 0.00 H new ATOM 0 HA TYR A 73 0.562 -4.809 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.883 -3.154 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.370 -2.441 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.502 -3.487 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.652 -3.690 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.134 -3.908 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.018 -4.094 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.673 -3.409 -7.860 1.00 0.00 H new ATOM 1193 N HIS A 74 0.758 -5.280 0.622 1.00 0.00 N ATOM 1194 CA HIS A 74 1.389 -5.086 1.922 1.00 0.00 C ATOM 1195 C HIS A 74 0.405 -4.466 2.910 1.00 0.00 C ATOM 1196 O HIS A 74 0.736 -3.508 3.610 1.00 0.00 O ATOM 1197 CB HIS A 74 2.625 -4.185 1.774 1.00 0.00 C ATOM 1198 CG HIS A 74 3.177 -4.282 0.374 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.004 -5.405 -0.419 1.00 0.00 N ATOM 1200 CD2 HIS A 74 3.881 -3.389 -0.393 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.590 -5.161 -1.604 1.00 0.00 C ATOM 1202 NE2 HIS A 74 4.140 -3.945 -1.642 1.00 0.00 N ATOM 0 H HIS A 74 0.626 -6.254 0.351 1.00 0.00 H new ATOM 0 HA HIS A 74 1.698 -6.058 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.359 -3.152 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.388 -4.481 2.494 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.520 -6.262 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.188 -2.403 -0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.613 -5.863 -2.425 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.806 -5.015 2.970 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.806 -4.491 3.887 1.00 0.00 C ATOM 1213 C LEU A 75 -1.329 -4.653 5.320 1.00 0.00 C ATOM 1214 O LEU A 75 -0.931 -5.744 5.724 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.131 -5.235 3.696 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.121 -4.892 4.820 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.322 -3.383 4.904 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.459 -5.568 4.528 1.00 0.00 C ATOM 0 H LEU A 75 -1.112 -5.807 2.405 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.958 -3.432 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.565 -4.971 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.950 -6.310 3.681 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.723 -5.247 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.026 -3.154 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.367 -2.900 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.717 -3.015 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.168 -5.330 5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.847 -5.210 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.318 -6.648 4.480 1.00 0.00 H new ATOM 1230 N THR A 76 -1.367 -3.566 6.087 1.00 0.00 N ATOM 1231 CA THR A 76 -0.930 -3.610 7.472 1.00 0.00 C ATOM 1232 C THR A 76 -2.002 -3.028 8.408 1.00 0.00 C ATOM 1233 O THR A 76 -2.709 -2.098 8.025 1.00 0.00 O ATOM 1234 CB THR A 76 0.356 -2.785 7.584 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.438 -3.633 7.932 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.219 -1.678 8.640 1.00 0.00 C ATOM 0 H THR A 76 -1.694 -2.653 5.772 1.00 0.00 H new ATOM 0 HA THR A 76 -0.757 -4.645 7.768 1.00 0.00 H new ATOM 0 HB THR A 76 0.542 -2.317 6.617 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.221 -3.088 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.148 -1.111 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.598 -1.011 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.009 -2.126 9.611 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.112 -3.503 9.634 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.088 -2.948 10.619 1.00 0.00 C ATOM 1246 C PRO A 77 -2.508 -1.773 11.392 1.00 0.00 C ATOM 1247 O PRO A 77 -1.291 -1.632 11.511 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.337 -4.129 11.549 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.043 -4.876 11.575 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.347 -4.620 10.230 1.00 0.00 C ATOM 0 HA PRO A 77 -3.989 -2.561 10.144 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.620 -3.794 12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.149 -4.757 11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.419 -4.537 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.216 -5.942 11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.298 -4.356 10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.372 -5.505 9.594 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.390 -0.934 11.916 1.00 0.00 N ATOM 1259 CA GLY A 78 -2.961 0.230 12.683 1.00 0.00 C ATOM 1260 C GLY A 78 -2.398 1.312 11.770 1.00 0.00 C ATOM 1261 O GLY A 78 -1.358 1.128 11.138 1.00 0.00 O ATOM 0 H GLY A 78 -4.401 -1.035 11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.804 0.628 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.204 -0.068 13.409 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.094 2.442 11.708 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.657 3.553 10.868 1.00 0.00 C ATOM 1267 C VAL A 79 -1.250 4.000 11.247 1.00 0.00 C ATOM 1268 O VAL A 79 -0.947 4.199 12.424 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.620 4.733 11.009 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.925 4.412 10.281 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.913 4.988 12.489 1.00 0.00 C ATOM 0 H VAL A 79 -3.957 2.613 12.225 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.650 3.210 9.833 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.166 5.623 10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.613 5.252 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.719 4.235 9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.375 3.520 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.599 5.829 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.365 4.099 12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.983 5.217 13.010 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.395 4.161 10.243 1.00 0.00 N ATOM 1282 CA PHE A 80 0.978 4.588 10.486 1.00 0.00 C ATOM 1283 C PHE A 80 1.025 6.085 10.781 1.00 0.00 C ATOM 1284 O PHE A 80 0.406 6.882 10.074 1.00 0.00 O ATOM 1285 CB PHE A 80 1.849 4.277 9.268 1.00 0.00 C ATOM 1286 CG PHE A 80 2.161 5.557 8.531 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.205 6.125 7.682 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.406 6.176 8.698 1.00 0.00 C ATOM 1289 CE1 PHE A 80 1.492 7.312 6.999 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.694 7.363 8.014 1.00 0.00 C ATOM 1291 CZ PHE A 80 2.736 7.932 7.165 1.00 0.00 C ATOM 0 H PHE A 80 -0.625 4.004 9.262 1.00 0.00 H new ATOM 0 HA PHE A 80 1.361 4.044 11.350 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.773 3.792 9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.333 3.581 8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.245 5.647 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.144 5.738 9.354 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.754 7.750 6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.655 7.840 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.957 8.849 6.639 1.00 0.00 H new ATOM 1301 N ILE A 81 1.763 6.457 11.825 1.00 0.00 N ATOM 1302 CA ILE A 81 1.889 7.863 12.205 1.00 0.00 C ATOM 1303 C ILE A 81 3.349 8.294 12.165 1.00 0.00 C ATOM 1304 O ILE A 81 4.158 7.865 12.990 1.00 0.00 O ATOM 1305 CB ILE A 81 1.338 8.079 13.618 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.082 7.514 13.702 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.312 9.574 13.953 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.060 6.177 14.445 1.00 0.00 C ATOM 0 H ILE A 81 2.280 5.809 12.420 1.00 0.00 H new ATOM 0 HA ILE A 81 1.318 8.462 11.496 1.00 0.00 H new ATOM 0 HB ILE A 81 1.982 7.566 14.332 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.734 8.218 14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.490 7.378 12.700 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.918 9.714 14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.324 9.977 13.899 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.675 10.096 13.239 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.072 5.777 14.504 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.578 5.474 13.910 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.330 6.327 15.452 1.00 0.00 H new ATOM 1320 N GLY A 82 3.679 9.145 11.201 1.00 0.00 N ATOM 1321 CA GLY A 82 5.044 9.629 11.061 1.00 0.00 C ATOM 1322 C GLY A 82 5.390 10.605 12.180 1.00 0.00 C ATOM 1323 O GLY A 82 6.439 11.248 12.149 1.00 0.00 O ATOM 0 H GLY A 82 3.024 9.511 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.737 8.788 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.163 10.119 10.095 1.00 0.00 H new ATOM 1327 N LYS A 83 4.499 10.707 13.168 1.00 0.00 N ATOM 1328 CA LYS A 83 4.720 11.609 14.297 1.00 0.00 C ATOM 1329 C LYS A 83 4.761 10.824 15.602 1.00 0.00 C ATOM 1330 O LYS A 83 5.048 11.377 16.663 1.00 0.00 O ATOM 1331 CB LYS A 83 3.602 12.653 14.363 1.00 0.00 C ATOM 1332 CG LYS A 83 3.425 13.299 12.987 1.00 0.00 C ATOM 1333 CD LYS A 83 2.400 14.435 13.076 1.00 0.00 C ATOM 1334 CE LYS A 83 1.040 13.877 13.506 1.00 0.00 C ATOM 1335 NZ LYS A 83 -0.045 14.657 12.847 1.00 0.00 N ATOM 0 H LYS A 83 3.626 10.181 13.209 1.00 0.00 H new ATOM 0 HA LYS A 83 5.676 12.113 14.154 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.670 12.184 14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.844 13.414 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.380 13.685 12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.093 12.553 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.737 15.186 13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.310 14.932 12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.964 12.824 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.937 13.934 14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.970 14.280 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.025 15.656 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.051 14.581 11.814 1.00 0.00 H new ATOM 1349 N GLY A 84 4.474 9.530 15.511 1.00 0.00 N ATOM 1350 CA GLY A 84 4.481 8.667 16.685 1.00 0.00 C ATOM 1351 C GLY A 84 5.688 7.738 16.665 1.00 0.00 C ATOM 1352 O GLY A 84 6.178 7.319 17.714 1.00 0.00 O ATOM 0 H GLY A 84 4.234 9.057 14.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.499 9.275 17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.564 8.079 16.715 1.00 0.00 H new ATOM 1356 N PHE A 85 6.164 7.423 15.465 1.00 0.00 N ATOM 1357 CA PHE A 85 7.319 6.543 15.323 1.00 0.00 C ATOM 1358 C PHE A 85 8.611 7.344 15.426 1.00 0.00 C ATOM 1359 O PHE A 85 8.613 8.559 15.230 1.00 0.00 O ATOM 1360 CB PHE A 85 7.263 5.823 13.978 1.00 0.00 C ATOM 1361 CG PHE A 85 6.285 4.678 14.072 1.00 0.00 C ATOM 1362 CD1 PHE A 85 5.065 4.737 13.388 1.00 0.00 C ATOM 1363 CD2 PHE A 85 6.597 3.558 14.850 1.00 0.00 C ATOM 1364 CE1 PHE A 85 4.158 3.676 13.482 1.00 0.00 C ATOM 1365 CE2 PHE A 85 5.691 2.497 14.945 1.00 0.00 C ATOM 1366 CZ PHE A 85 4.471 2.556 14.261 1.00 0.00 C ATOM 0 H PHE A 85 5.773 7.760 14.585 1.00 0.00 H new ATOM 0 HA PHE A 85 7.297 5.806 16.126 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.958 6.515 13.193 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.252 5.452 13.709 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.824 5.602 12.788 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.538 3.513 15.378 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.217 3.721 12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.932 1.633 15.546 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.771 1.737 14.334 1.00 0.00 H new ATOM 1376 N GLU A 86 9.708 6.664 15.742 1.00 0.00 N ATOM 1377 CA GLU A 86 10.992 7.342 15.875 1.00 0.00 C ATOM 1378 C GLU A 86 11.617 7.597 14.496 1.00 0.00 C ATOM 1379 O GLU A 86 11.804 6.657 13.722 1.00 0.00 O ATOM 1380 CB GLU A 86 11.947 6.489 16.713 1.00 0.00 C ATOM 1381 CG GLU A 86 12.489 7.329 17.872 1.00 0.00 C ATOM 1382 CD GLU A 86 11.362 7.657 18.848 1.00 0.00 C ATOM 1383 OE1 GLU A 86 11.489 8.641 19.559 1.00 0.00 O ATOM 1384 OE2 GLU A 86 10.389 6.923 18.864 1.00 0.00 O ATOM 0 H GLU A 86 9.735 5.658 15.909 1.00 0.00 H new ATOM 0 HA GLU A 86 10.824 8.299 16.369 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.427 5.611 17.097 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.769 6.128 16.095 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.281 6.785 18.387 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.930 8.250 17.490 1.00 0.00 H new ATOM 1391 N PRO A 87 11.954 8.829 14.161 1.00 0.00 N ATOM 1392 CA PRO A 87 12.574 9.150 12.842 1.00 0.00 C ATOM 1393 C PRO A 87 14.063 8.816 12.806 1.00 0.00 C ATOM 1394 O PRO A 87 14.752 8.897 13.823 1.00 0.00 O ATOM 1395 CB PRO A 87 12.357 10.655 12.710 1.00 0.00 C ATOM 1396 CG PRO A 87 12.353 11.164 14.111 1.00 0.00 C ATOM 1397 CD PRO A 87 11.784 10.048 14.978 1.00 0.00 C ATOM 0 HA PRO A 87 12.135 8.570 12.030 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.150 11.119 12.123 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.416 10.876 12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.361 11.427 14.431 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.747 12.066 14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.317 9.969 15.926 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.735 10.224 15.216 1.00 0.00 H new ATOM 1405 N GLY A 88 14.555 8.449 11.627 1.00 0.00 N ATOM 1406 CA GLY A 88 15.967 8.114 11.468 1.00 0.00 C ATOM 1407 C GLY A 88 16.199 6.613 11.613 1.00 0.00 C ATOM 1408 O GLY A 88 16.979 6.021 10.867 1.00 0.00 O ATOM 0 H GLY A 88 14.002 8.376 10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.314 8.445 10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.556 8.649 12.213 1.00 0.00 H new ATOM 1412 N VAL A 89 15.520 6.004 12.580 1.00 0.00 N ATOM 1413 CA VAL A 89 15.661 4.575 12.820 1.00 0.00 C ATOM 1414 C VAL A 89 14.697 3.786 11.948 1.00 0.00 C ATOM 1415 O VAL A 89 13.638 4.283 11.570 1.00 0.00 O ATOM 1416 CB VAL A 89 15.384 4.264 14.291 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.780 5.466 15.148 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.891 3.967 14.488 1.00 0.00 C ATOM 0 H VAL A 89 14.869 6.477 13.207 1.00 0.00 H new ATOM 0 HA VAL A 89 16.681 4.285 12.570 1.00 0.00 H new ATOM 0 HB VAL A 89 15.967 3.393 14.590 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.583 5.246 16.197 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.841 5.674 15.014 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.198 6.337 14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.699 3.746 15.538 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.305 4.835 14.187 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.607 3.109 13.879 1.00 0.00 H new ATOM 1428 N THR A 90 15.063 2.549 11.643 1.00 0.00 N ATOM 1429 CA THR A 90 14.209 1.708 10.823 1.00 0.00 C ATOM 1430 C THR A 90 13.169 0.997 11.677 1.00 0.00 C ATOM 1431 O THR A 90 13.486 0.426 12.720 1.00 0.00 O ATOM 1432 CB THR A 90 15.051 0.681 10.063 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.422 1.047 10.138 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.609 0.645 8.601 1.00 0.00 C ATOM 0 H THR A 90 15.933 2.112 11.947 1.00 0.00 H new ATOM 0 HA THR A 90 13.691 2.345 10.106 1.00 0.00 H new ATOM 0 HB THR A 90 14.915 -0.305 10.507 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.963 0.389 9.653 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.208 -0.086 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.557 0.365 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.747 1.630 8.155 1.00 0.00 H new ATOM 1442 N ASN A 91 11.922 1.040 11.218 1.00 0.00 N ATOM 1443 CA ASN A 91 10.826 0.399 11.936 1.00 0.00 C ATOM 1444 C ASN A 91 10.367 -0.846 11.194 1.00 0.00 C ATOM 1445 O ASN A 91 9.987 -0.768 10.026 1.00 0.00 O ATOM 1446 CB ASN A 91 9.647 1.366 12.076 1.00 0.00 C ATOM 1447 CG ASN A 91 10.154 2.782 12.325 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.825 3.701 11.576 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.939 3.013 13.341 1.00 0.00 N ATOM 0 H ASN A 91 11.646 1.510 10.356 1.00 0.00 H new ATOM 0 HA ASN A 91 11.183 0.118 12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.039 1.343 11.171 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.005 1.052 12.899 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.282 3.958 13.516 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.210 2.249 13.960 1.00 0.00 H new ATOM 1456 N ILE A 92 10.408 -1.986 11.884 1.00 0.00 N ATOM 1457 CA ILE A 92 9.994 -3.258 11.298 1.00 0.00 C ATOM 1458 C ILE A 92 8.515 -3.502 11.566 1.00 0.00 C ATOM 1459 O ILE A 92 8.135 -3.868 12.678 1.00 0.00 O ATOM 1460 CB ILE A 92 10.808 -4.401 11.909 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.282 -3.993 12.009 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.679 -5.652 11.038 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.764 -3.448 10.662 1.00 0.00 C ATOM 0 H ILE A 92 10.725 -2.053 12.851 1.00 0.00 H new ATOM 0 HA ILE A 92 10.166 -3.218 10.222 1.00 0.00 H new ATOM 0 HB ILE A 92 10.426 -4.617 12.907 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.407 -3.236 12.783 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.887 -4.851 12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.260 -6.463 11.477 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.631 -5.947 10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.053 -5.438 10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.812 -3.160 10.740 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.655 -4.218 9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.168 -2.578 10.387 1.00 0.00 H new ATOM 1475 N LEU A 93 7.685 -3.298 10.548 1.00 0.00 N ATOM 1476 CA LEU A 93 6.249 -3.501 10.699 1.00 0.00 C ATOM 1477 C LEU A 93 5.813 -4.782 9.994 1.00 0.00 C ATOM 1478 O LEU A 93 6.081 -4.974 8.809 1.00 0.00 O ATOM 1479 CB LEU A 93 5.482 -2.309 10.113 1.00 0.00 C ATOM 1480 CG LEU A 93 5.351 -1.191 11.157 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.720 -0.557 11.418 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.391 -0.122 10.630 1.00 0.00 C ATOM 0 H LEU A 93 7.978 -2.995 9.619 1.00 0.00 H new ATOM 0 HA LEU A 93 6.026 -3.587 11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.001 -1.933 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.492 -2.630 9.788 1.00 0.00 H new ATOM 0 HG LEU A 93 4.967 -1.610 12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.619 0.235 12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.408 -1.316 11.790 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.110 -0.138 10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.294 0.675 11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.781 0.290 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.414 -0.569 10.448 1.00 0.00 H new ATOM 1494 N LYS A 94 5.140 -5.657 10.735 1.00 0.00 N ATOM 1495 CA LYS A 94 4.668 -6.916 10.174 1.00 0.00 C ATOM 1496 C LYS A 94 3.312 -6.722 9.510 1.00 0.00 C ATOM 1497 O LYS A 94 2.320 -6.438 10.179 1.00 0.00 O ATOM 1498 CB LYS A 94 4.557 -7.968 11.278 1.00 0.00 C ATOM 1499 CG LYS A 94 5.959 -8.405 11.706 1.00 0.00 C ATOM 1500 CD LYS A 94 5.854 -9.532 12.734 1.00 0.00 C ATOM 1501 CE LYS A 94 7.257 -9.940 13.186 1.00 0.00 C ATOM 1502 NZ LYS A 94 7.436 -11.405 12.984 1.00 0.00 N ATOM 0 H LYS A 94 4.911 -5.518 11.719 1.00 0.00 H new ATOM 0 HA LYS A 94 5.383 -7.255 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.015 -7.560 12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.989 -8.827 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.526 -8.742 10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.500 -7.560 12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.265 -9.204 13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.337 -10.388 12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.008 -9.389 12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.401 -9.686 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.390 -11.684 13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.727 -11.922 13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.316 -11.634 11.977 1.00 0.00 H new ATOM 1516 N THR A 95 3.275 -6.870 8.190 1.00 0.00 N ATOM 1517 CA THR A 95 2.028 -6.699 7.457 1.00 0.00 C ATOM 1518 C THR A 95 1.250 -8.006 7.401 1.00 0.00 C ATOM 1519 O THR A 95 1.782 -9.077 7.691 1.00 0.00 O ATOM 1520 CB THR A 95 2.310 -6.202 6.038 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.620 -7.306 5.200 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.490 -5.231 6.061 1.00 0.00 C ATOM 0 H THR A 95 4.083 -7.105 7.613 1.00 0.00 H new ATOM 0 HA THR A 95 1.425 -5.958 7.982 1.00 0.00 H new ATOM 0 HB THR A 95 1.428 -5.691 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.442 -7.736 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.690 -4.878 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.250 -4.382 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.372 -5.740 6.449 1.00 0.00 H new ATOM 1530 N THR A 96 -0.018 -7.903 7.033 1.00 0.00 N ATOM 1531 CA THR A 96 -0.878 -9.073 6.949 1.00 0.00 C ATOM 1532 C THR A 96 -0.432 -9.996 5.814 1.00 0.00 C ATOM 1533 O THR A 96 -0.659 -11.205 5.862 1.00 0.00 O ATOM 1534 CB THR A 96 -2.325 -8.632 6.741 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.199 -9.555 7.374 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.647 -8.565 5.257 1.00 0.00 C ATOM 0 H THR A 96 -0.473 -7.024 6.788 1.00 0.00 H new ATOM 0 HA THR A 96 -0.804 -9.630 7.883 1.00 0.00 H new ATOM 0 HB THR A 96 -2.458 -7.642 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.127 -9.270 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.682 -8.249 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.983 -7.849 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.507 -9.549 4.810 1.00 0.00 H new ATOM 1544 N GLN A 97 0.208 -9.418 4.800 1.00 0.00 N ATOM 1545 CA GLN A 97 0.681 -10.200 3.666 1.00 0.00 C ATOM 1546 C GLN A 97 1.530 -11.374 4.152 1.00 0.00 C ATOM 1547 O GLN A 97 1.624 -12.400 3.480 1.00 0.00 O ATOM 1548 CB GLN A 97 1.529 -9.308 2.751 1.00 0.00 C ATOM 1549 CG GLN A 97 2.045 -10.124 1.563 1.00 0.00 C ATOM 1550 CD GLN A 97 2.773 -9.213 0.579 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.649 -7.920 0.685 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 3.474 -9.696 -0.310 1.00 0.00 N flip ATOM 0 H GLN A 97 0.409 -8.420 4.742 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.179 -10.584 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.934 -8.467 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.367 -8.892 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.719 -10.906 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.213 -10.621 1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.569 -10.708 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.959 -9.084 -0.966 1.00 0.00 H new ATOM 1561 N GLY A 98 2.143 -11.218 5.325 1.00 0.00 N ATOM 1562 CA GLY A 98 2.978 -12.274 5.891 1.00 0.00 C ATOM 1563 C GLY A 98 4.454 -11.898 5.833 1.00 0.00 C ATOM 1564 O GLY A 98 5.321 -12.711 6.154 1.00 0.00 O ATOM 0 H GLY A 98 2.077 -10.376 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.687 -12.457 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.815 -13.203 5.345 1.00 0.00 H new ATOM 1568 N SER A 99 4.728 -10.662 5.423 1.00 0.00 N ATOM 1569 CA SER A 99 6.103 -10.182 5.325 1.00 0.00 C ATOM 1570 C SER A 99 6.295 -8.934 6.180 1.00 0.00 C ATOM 1571 O SER A 99 5.325 -8.293 6.590 1.00 0.00 O ATOM 1572 CB SER A 99 6.442 -9.861 3.870 1.00 0.00 C ATOM 1573 OG SER A 99 5.288 -9.345 3.221 1.00 0.00 O ATOM 0 H SER A 99 4.020 -9.978 5.155 1.00 0.00 H new ATOM 0 HA SER A 99 6.768 -10.965 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.253 -9.135 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.790 -10.759 3.359 1.00 0.00 H new ATOM 0 HG SER A 99 5.518 -8.513 2.757 1.00 0.00 H new ATOM 1579 N LYS A 100 7.552 -8.596 6.444 1.00 0.00 N ATOM 1580 CA LYS A 100 7.866 -7.424 7.251 1.00 0.00 C ATOM 1581 C LYS A 100 8.370 -6.291 6.367 1.00 0.00 C ATOM 1582 O LYS A 100 9.152 -6.516 5.443 1.00 0.00 O ATOM 1583 CB LYS A 100 8.928 -7.777 8.297 1.00 0.00 C ATOM 1584 CG LYS A 100 9.886 -8.827 7.722 1.00 0.00 C ATOM 1585 CD LYS A 100 9.347 -10.236 7.997 1.00 0.00 C ATOM 1586 CE LYS A 100 9.916 -10.755 9.319 1.00 0.00 C ATOM 1587 NZ LYS A 100 9.257 -12.045 9.670 1.00 0.00 N ATOM 0 H LYS A 100 8.366 -9.114 6.113 1.00 0.00 H new ATOM 0 HA LYS A 100 6.958 -7.098 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.482 -6.883 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.451 -8.160 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.002 -8.676 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.874 -8.713 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.258 -10.217 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.622 -10.907 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.993 -10.896 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.752 -10.023 10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.643 -12.399 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.232 -11.896 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.435 -12.742 8.919 1.00 0.00 H new ATOM 1601 N ILE A 101 7.914 -5.076 6.656 1.00 0.00 N ATOM 1602 CA ILE A 101 8.320 -3.909 5.883 1.00 0.00 C ATOM 1603 C ILE A 101 9.095 -2.938 6.763 1.00 0.00 C ATOM 1604 O ILE A 101 8.595 -2.480 7.791 1.00 0.00 O ATOM 1605 CB ILE A 101 7.087 -3.219 5.301 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.526 -2.145 4.306 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.280 -2.569 6.425 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.296 -1.391 3.810 1.00 0.00 C ATOM 0 H ILE A 101 7.265 -4.875 7.417 1.00 0.00 H new ATOM 0 HA ILE A 101 8.966 -4.233 5.067 1.00 0.00 H new ATOM 0 HB ILE A 101 6.468 -3.958 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.224 -1.455 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.051 -2.602 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.402 -2.078 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.964 -3.333 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.898 -1.831 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.602 -0.623 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.615 -2.087 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.791 -0.923 4.655 1.00 0.00 H new ATOM 1620 N PHE A 102 10.328 -2.645 6.363 1.00 0.00 N ATOM 1621 CA PHE A 102 11.173 -1.741 7.136 1.00 0.00 C ATOM 1622 C PHE A 102 11.165 -0.339 6.546 1.00 0.00 C ATOM 1623 O PHE A 102 11.498 -0.147 5.377 1.00 0.00 O ATOM 1624 CB PHE A 102 12.608 -2.262 7.191 1.00 0.00 C ATOM 1625 CG PHE A 102 12.666 -3.657 6.625 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.539 -3.953 5.572 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.847 -4.657 7.158 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.592 -5.252 5.054 1.00 0.00 C ATOM 1629 CE2 PHE A 102 11.899 -5.951 6.642 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.772 -6.252 5.589 1.00 0.00 C ATOM 0 H PHE A 102 10.761 -3.016 5.517 1.00 0.00 H new ATOM 0 HA PHE A 102 10.766 -1.696 8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.266 -1.602 6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.965 -2.262 8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.171 -3.180 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.173 -4.427 7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.265 -5.483 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.265 -6.722 7.055 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.812 -7.255 5.190 1.00 0.00 H new ATOM 1640 N LEU A 103 10.795 0.641 7.361 1.00 0.00 N ATOM 1641 CA LEU A 103 10.770 2.024 6.891 1.00 0.00 C ATOM 1642 C LEU A 103 11.161 2.999 7.985 1.00 0.00 C ATOM 1643 O LEU A 103 11.208 2.649 9.163 1.00 0.00 O ATOM 1644 CB LEU A 103 9.406 2.405 6.345 1.00 0.00 C ATOM 1645 CG LEU A 103 8.315 2.165 7.387 1.00 0.00 C ATOM 1646 CD1 LEU A 103 7.032 2.808 6.874 1.00 0.00 C ATOM 1647 CD2 LEU A 103 8.088 0.662 7.601 1.00 0.00 C ATOM 0 H LEU A 103 10.513 0.511 8.332 1.00 0.00 H new ATOM 0 HA LEU A 103 11.504 2.086 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.408 3.454 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.193 1.822 5.449 1.00 0.00 H new ATOM 0 HG LEU A 103 8.614 2.599 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.232 2.653 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.192 3.877 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.753 2.355 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.307 0.515 8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.783 0.203 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.013 0.200 7.947 1.00 0.00 H new ATOM 1659 N LYS A 104 11.451 4.230 7.576 1.00 0.00 N ATOM 1660 CA LYS A 104 11.849 5.260 8.524 1.00 0.00 C ATOM 1661 C LYS A 104 11.435 6.644 8.038 1.00 0.00 C ATOM 1662 O LYS A 104 11.310 6.885 6.837 1.00 0.00 O ATOM 1663 CB LYS A 104 13.364 5.210 8.732 1.00 0.00 C ATOM 1664 CG LYS A 104 14.080 5.968 7.607 1.00 0.00 C ATOM 1665 CD LYS A 104 15.571 5.600 7.589 1.00 0.00 C ATOM 1666 CE LYS A 104 15.924 4.972 6.239 1.00 0.00 C ATOM 1667 NZ LYS A 104 15.659 5.954 5.151 1.00 0.00 N ATOM 0 H LYS A 104 11.418 4.535 6.603 1.00 0.00 H new ATOM 0 HA LYS A 104 11.344 5.070 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.620 5.649 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.701 4.174 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.626 5.724 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.964 7.042 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.178 6.489 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.794 4.903 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.972 4.674 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.334 4.069 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.819 5.659 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.493 6.894 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.480 5.996 4.514 1.00 0.00 H new ATOM 1681 N GLU A 105 11.230 7.551 8.988 1.00 0.00 N ATOM 1682 CA GLU A 105 10.836 8.917 8.667 1.00 0.00 C ATOM 1683 C GLU A 105 11.980 9.878 8.967 1.00 0.00 C ATOM 1684 O GLU A 105 12.457 9.955 10.099 1.00 0.00 O ATOM 1685 CB GLU A 105 9.606 9.317 9.486 1.00 0.00 C ATOM 1686 CG GLU A 105 9.071 10.658 8.981 1.00 0.00 C ATOM 1687 CD GLU A 105 7.718 10.461 8.305 1.00 0.00 C ATOM 1688 OE1 GLU A 105 7.559 9.462 7.622 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.862 11.313 8.477 1.00 0.00 O ATOM 0 H GLU A 105 11.330 7.364 9.986 1.00 0.00 H new ATOM 0 HA GLU A 105 10.593 8.968 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.835 8.551 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.867 9.392 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.973 11.356 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.777 11.098 8.277 1.00 0.00 H new ATOM 1696 N VAL A 106 12.417 10.604 7.945 1.00 0.00 N ATOM 1697 CA VAL A 106 13.508 11.557 8.107 1.00 0.00 C ATOM 1698 C VAL A 106 13.188 12.866 7.394 1.00 0.00 C ATOM 1699 O VAL A 106 12.568 12.870 6.330 1.00 0.00 O ATOM 1700 CB VAL A 106 14.799 10.967 7.539 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.803 12.089 7.272 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.385 9.981 8.549 1.00 0.00 C ATOM 0 H VAL A 106 12.035 10.552 7.001 1.00 0.00 H new ATOM 0 HA VAL A 106 13.635 11.760 9.170 1.00 0.00 H new ATOM 0 HB VAL A 106 14.586 10.450 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.722 11.666 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.380 12.792 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 106 16.023 12.610 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.306 9.556 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.599 10.501 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.668 9.182 8.735 1.00 0.00 H new ATOM 1712 N ASN A 107 13.615 13.976 7.984 1.00 0.00 N ATOM 1713 CA ASN A 107 13.369 15.286 7.396 1.00 0.00 C ATOM 1714 C ASN A 107 11.913 15.419 6.960 1.00 0.00 C ATOM 1715 O ASN A 107 11.628 15.837 5.838 1.00 0.00 O ATOM 1716 CB ASN A 107 14.285 15.493 6.188 1.00 0.00 C ATOM 1717 CG ASN A 107 15.731 15.629 6.650 1.00 0.00 C ATOM 1718 OD1 ASN A 107 16.020 15.481 7.914 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.623 15.876 5.837 1.00 0.00 N flip ATOM 0 H ASN A 107 14.130 13.995 8.864 1.00 0.00 H new ATOM 0 HA ASN A 107 13.579 16.045 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.191 14.652 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.983 16.386 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.395 15.991 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.589 15.965 6.151 1.00 0.00 H new ATOM 1726 N ASP A 108 10.998 15.064 7.854 1.00 0.00 N ATOM 1727 CA ASP A 108 9.575 15.150 7.551 1.00 0.00 C ATOM 1728 C ASP A 108 9.263 14.472 6.219 1.00 0.00 C ATOM 1729 O ASP A 108 8.347 14.881 5.505 1.00 0.00 O ATOM 1730 CB ASP A 108 9.141 16.616 7.495 1.00 0.00 C ATOM 1731 CG ASP A 108 7.623 16.708 7.391 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.147 17.221 6.391 1.00 0.00 O ATOM 1733 OD2 ASP A 108 6.958 16.264 8.313 1.00 0.00 O ATOM 0 H ASP A 108 11.214 14.716 8.788 1.00 0.00 H new ATOM 0 HA ASP A 108 9.025 14.638 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.485 17.140 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 108 9.603 17.108 6.639 1.00 0.00 H new ATOM 1738 N THR A 109 10.026 13.430 5.897 1.00 0.00 N ATOM 1739 CA THR A 109 9.820 12.692 4.655 1.00 0.00 C ATOM 1740 C THR A 109 9.766 11.197 4.936 1.00 0.00 C ATOM 1741 O THR A 109 10.664 10.640 5.567 1.00 0.00 O ATOM 1742 CB THR A 109 10.951 12.983 3.664 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.160 14.387 3.589 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.565 12.448 2.281 1.00 0.00 C ATOM 0 H THR A 109 10.789 13.080 6.476 1.00 0.00 H new ATOM 0 HA THR A 109 8.874 13.013 4.219 1.00 0.00 H new ATOM 0 HB THR A 109 11.867 12.496 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.467 14.719 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.369 12.654 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.401 11.372 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.651 12.937 1.944 1.00 0.00 H new ATOM 1752 N LEU A 110 8.711 10.552 4.456 1.00 0.00 N ATOM 1753 CA LEU A 110 8.553 9.117 4.653 1.00 0.00 C ATOM 1754 C LEU A 110 9.493 8.369 3.722 1.00 0.00 C ATOM 1755 O LEU A 110 9.322 8.405 2.502 1.00 0.00 O ATOM 1756 CB LEU A 110 7.110 8.709 4.361 1.00 0.00 C ATOM 1757 CG LEU A 110 6.743 7.454 5.155 1.00 0.00 C ATOM 1758 CD1 LEU A 110 5.311 7.051 4.804 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.699 6.311 4.794 1.00 0.00 C ATOM 0 H LEU A 110 7.957 10.995 3.931 1.00 0.00 H new ATOM 0 HA LEU A 110 8.793 8.869 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.434 9.524 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.986 8.522 3.294 1.00 0.00 H new ATOM 0 HG LEU A 110 6.823 7.659 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.037 6.157 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.631 7.863 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.242 6.845 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.432 5.420 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.624 6.097 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.722 6.602 5.034 1.00 0.00 H new ATOM 1771 N LEU A 111 10.481 7.691 4.300 1.00 0.00 N ATOM 1772 CA LEU A 111 11.438 6.942 3.509 1.00 0.00 C ATOM 1773 C LEU A 111 11.323 5.468 3.833 1.00 0.00 C ATOM 1774 O LEU A 111 11.753 5.014 4.893 1.00 0.00 O ATOM 1775 CB LEU A 111 12.865 7.437 3.786 1.00 0.00 C ATOM 1776 CG LEU A 111 12.945 8.955 3.564 1.00 0.00 C ATOM 1777 CD1 LEU A 111 14.388 9.413 3.637 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.439 9.310 2.175 1.00 0.00 C ATOM 0 H LEU A 111 10.635 7.648 5.307 1.00 0.00 H new ATOM 0 HA LEU A 111 11.221 7.094 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 111 13.151 7.195 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.570 6.927 3.129 1.00 0.00 H new ATOM 0 HG LEU A 111 12.341 9.437 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.436 10.490 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.797 9.172 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.970 8.907 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.501 10.389 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.050 8.807 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.402 8.989 2.072 1.00 0.00 H new ATOM 1790 N VAL A 112 10.734 4.724 2.910 1.00 0.00 N ATOM 1791 CA VAL A 112 10.565 3.298 3.110 1.00 0.00 C ATOM 1792 C VAL A 112 11.633 2.546 2.322 1.00 0.00 C ATOM 1793 O VAL A 112 12.013 2.968 1.228 1.00 0.00 O ATOM 1794 CB VAL A 112 9.160 2.864 2.679 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.653 3.777 1.562 1.00 0.00 C ATOM 1796 CG2 VAL A 112 9.192 1.411 2.196 1.00 0.00 C ATOM 0 H VAL A 112 10.370 5.080 2.026 1.00 0.00 H new ATOM 0 HA VAL A 112 10.678 3.063 4.168 1.00 0.00 H new ATOM 0 HB VAL A 112 8.484 2.940 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.654 3.463 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.617 4.806 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.326 3.714 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.191 1.107 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.872 1.324 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.536 0.766 3.005 1.00 0.00 H new ATOM 1806 N ASN A 113 12.122 1.444 2.891 1.00 0.00 N ATOM 1807 CA ASN A 113 13.156 0.644 2.238 1.00 0.00 C ATOM 1808 C ASN A 113 14.372 1.501 1.894 1.00 0.00 C ATOM 1809 O ASN A 113 15.392 1.450 2.583 1.00 0.00 O ATOM 1810 CB ASN A 113 12.591 0.007 0.966 1.00 0.00 C ATOM 1811 CG ASN A 113 13.726 -0.477 0.068 1.00 0.00 C ATOM 1812 OD1 ASN A 113 13.581 -0.504 -1.153 1.00 0.00 O ATOM 1813 ND2 ASN A 113 14.853 -0.866 0.602 1.00 0.00 N ATOM 0 H ASN A 113 11.820 1.087 3.798 1.00 0.00 H new ATOM 0 HA ASN A 113 13.473 -0.139 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.943 -0.829 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.977 0.731 0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 113 15.614 -1.193 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.972 -0.843 1.615 1.00 0.00 H new ATOM 1820 N GLU A 114 14.258 2.286 0.829 1.00 0.00 N ATOM 1821 CA GLU A 114 15.352 3.149 0.403 1.00 0.00 C ATOM 1822 C GLU A 114 14.872 4.130 -0.660 1.00 0.00 C ATOM 1823 O GLU A 114 15.466 4.228 -1.734 1.00 0.00 O ATOM 1824 CB GLU A 114 16.491 2.302 -0.167 1.00 0.00 C ATOM 1825 CG GLU A 114 17.771 3.139 -0.224 1.00 0.00 C ATOM 1826 CD GLU A 114 18.601 2.744 -1.440 1.00 0.00 C ATOM 1827 OE1 GLU A 114 19.259 1.718 -1.375 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.566 3.471 -2.418 1.00 0.00 O ATOM 0 H GLU A 114 13.422 2.342 0.247 1.00 0.00 H new ATOM 0 HA GLU A 114 15.709 3.708 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.648 1.420 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.231 1.948 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.520 4.199 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.352 2.991 0.686 1.00 0.00 H new ATOM 1835 N LEU A 115 13.792 4.853 -0.359 1.00 0.00 N ATOM 1836 CA LEU A 115 13.244 5.816 -1.305 1.00 0.00 C ATOM 1837 C LEU A 115 12.107 6.600 -0.660 1.00 0.00 C ATOM 1838 O LEU A 115 11.534 6.168 0.344 1.00 0.00 O ATOM 1839 CB LEU A 115 12.727 5.087 -2.550 1.00 0.00 C ATOM 1840 CG LEU A 115 11.582 4.134 -2.157 1.00 0.00 C ATOM 1841 CD1 LEU A 115 10.234 4.875 -2.084 1.00 0.00 C ATOM 1842 CD2 LEU A 115 11.484 3.019 -3.199 1.00 0.00 C ATOM 0 H LEU A 115 13.286 4.789 0.524 1.00 0.00 H new ATOM 0 HA LEU A 115 14.033 6.510 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.375 5.810 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 115 13.536 4.525 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 115 11.800 3.723 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.448 4.174 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.295 5.668 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.004 5.309 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.676 2.339 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.282 3.453 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.425 2.469 -3.233 1.00 0.00 H new ATOM 1854 N LYS A 116 11.790 7.755 -1.235 1.00 0.00 N ATOM 1855 CA LYS A 116 10.728 8.586 -0.703 1.00 0.00 C ATOM 1856 C LYS A 116 9.379 8.206 -1.299 1.00 0.00 C ATOM 1857 O LYS A 116 9.278 7.862 -2.474 1.00 0.00 O ATOM 1858 CB LYS A 116 11.015 10.051 -0.991 1.00 0.00 C ATOM 1859 CG LYS A 116 12.508 10.242 -1.266 1.00 0.00 C ATOM 1860 CD LYS A 116 12.832 11.737 -1.367 1.00 0.00 C ATOM 1861 CE LYS A 116 14.086 12.048 -0.551 1.00 0.00 C ATOM 1862 NZ LYS A 116 15.231 11.248 -1.070 1.00 0.00 N ATOM 0 H LYS A 116 12.252 8.131 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 116 10.688 8.426 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.432 10.383 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.711 10.664 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.095 9.787 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.784 9.738 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.986 12.016 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.992 12.327 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.316 13.112 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.915 11.817 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.125 11.684 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.175 10.279 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.193 11.222 -2.109 1.00 0.00 H new ATOM 1876 N SER A 117 8.344 8.281 -0.473 1.00 0.00 N ATOM 1877 CA SER A 117 6.994 7.942 -0.920 1.00 0.00 C ATOM 1878 C SER A 117 6.391 9.078 -1.741 1.00 0.00 C ATOM 1879 O SER A 117 6.805 10.231 -1.619 1.00 0.00 O ATOM 1880 CB SER A 117 6.099 7.650 0.284 1.00 0.00 C ATOM 1881 OG SER A 117 6.784 6.785 1.180 1.00 0.00 O ATOM 0 H SER A 117 8.409 8.571 0.503 1.00 0.00 H new ATOM 0 HA SER A 117 7.059 7.054 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.834 8.579 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.168 7.189 -0.044 1.00 0.00 H new ATOM 0 HG SER A 117 6.138 6.201 1.629 1.00 0.00 H new ATOM 1887 N LYS A 118 5.410 8.742 -2.579 1.00 0.00 N ATOM 1888 CA LYS A 118 4.757 9.739 -3.415 1.00 0.00 C ATOM 1889 C LYS A 118 3.742 10.535 -2.606 1.00 0.00 C ATOM 1890 O LYS A 118 3.730 11.765 -2.647 1.00 0.00 O ATOM 1891 CB LYS A 118 4.047 9.054 -4.586 1.00 0.00 C ATOM 1892 CG LYS A 118 4.858 9.257 -5.866 1.00 0.00 C ATOM 1893 CD LYS A 118 4.760 10.716 -6.318 1.00 0.00 C ATOM 1894 CE LYS A 118 6.170 11.267 -6.534 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.089 12.634 -7.122 1.00 0.00 N ATOM 0 H LYS A 118 5.055 7.793 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 118 5.518 10.420 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.931 7.990 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.045 9.466 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.900 8.990 -5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.486 8.598 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.183 10.786 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.235 11.308 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.708 11.299 -5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.731 10.608 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.049 13.007 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.592 12.591 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.569 13.260 -6.474 1.00 0.00 H new ATOM 1909 N GLU A 119 2.892 9.828 -1.869 1.00 0.00 N ATOM 1910 CA GLU A 119 1.885 10.490 -1.055 1.00 0.00 C ATOM 1911 C GLU A 119 1.351 9.536 0.003 1.00 0.00 C ATOM 1912 O GLU A 119 0.877 8.447 -0.306 1.00 0.00 O ATOM 1913 CB GLU A 119 0.733 10.981 -1.931 1.00 0.00 C ATOM 1914 CG GLU A 119 0.124 12.249 -1.322 1.00 0.00 C ATOM 1915 CD GLU A 119 0.795 13.483 -1.910 1.00 0.00 C ATOM 1916 OE1 GLU A 119 0.762 13.630 -3.120 1.00 0.00 O ATOM 1917 OE2 GLU A 119 1.329 14.266 -1.142 1.00 0.00 O ATOM 0 H GLU A 119 2.881 8.809 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 119 2.348 11.345 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.092 11.187 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.028 10.205 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.948 12.279 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.248 12.238 -0.239 1.00 0.00 H new ATOM 1924 N SER A 120 1.430 9.956 1.252 1.00 0.00 N ATOM 1925 CA SER A 120 0.958 9.131 2.350 1.00 0.00 C ATOM 1926 C SER A 120 0.453 10.012 3.482 1.00 0.00 C ATOM 1927 O SER A 120 0.575 11.233 3.425 1.00 0.00 O ATOM 1928 CB SER A 120 2.096 8.244 2.860 1.00 0.00 C ATOM 1929 OG SER A 120 1.610 7.405 3.900 1.00 0.00 O ATOM 0 H SER A 120 1.814 10.859 1.531 1.00 0.00 H new ATOM 0 HA SER A 120 0.142 8.502 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.494 7.639 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.916 8.861 3.228 1.00 0.00 H new ATOM 0 HG SER A 120 1.871 7.776 4.769 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.108 9.384 4.509 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.624 10.132 5.660 1.00 0.00 C ATOM 1937 C ASP A 121 -1.883 10.905 5.273 1.00 0.00 C ATOM 1938 O ASP A 121 -2.304 11.840 5.953 1.00 0.00 O ATOM 1939 CB ASP A 121 0.461 11.086 6.203 1.00 0.00 C ATOM 1940 CG ASP A 121 0.094 12.551 5.954 1.00 0.00 C ATOM 1941 OD1 ASP A 121 0.377 13.046 4.876 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.467 13.158 6.852 1.00 0.00 O ATOM 0 H ASP A 121 -0.219 8.372 4.573 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.889 9.427 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.592 10.919 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.415 10.863 5.726 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.490 10.494 4.177 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.699 11.142 3.703 1.00 0.00 C ATOM 1949 C ILE A 122 -4.753 11.222 4.813 1.00 0.00 C ATOM 1950 O ILE A 122 -5.332 12.282 5.046 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.253 10.357 2.525 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.132 10.055 1.511 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.360 11.171 1.880 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.298 11.306 1.231 1.00 0.00 C ATOM 0 H ILE A 122 -2.168 9.717 3.599 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.454 12.159 3.395 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.656 9.404 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.490 9.264 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.566 9.687 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.769 10.622 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.150 11.353 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.958 12.123 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.514 11.067 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.939 12.087 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.846 11.657 2.159 1.00 0.00 H new ATOM 1966 N MET A 123 -4.987 10.087 5.470 1.00 0.00 N ATOM 1967 CA MET A 123 -5.965 9.964 6.564 1.00 0.00 C ATOM 1968 C MET A 123 -7.360 9.704 6.030 1.00 0.00 C ATOM 1969 O MET A 123 -7.922 10.514 5.291 1.00 0.00 O ATOM 1970 CB MET A 123 -5.998 11.209 7.464 1.00 0.00 C ATOM 1971 CG MET A 123 -4.574 11.658 7.824 1.00 0.00 C ATOM 1972 SD MET A 123 -3.423 10.253 7.790 1.00 0.00 S ATOM 1973 CE MET A 123 -4.034 9.372 9.255 1.00 0.00 C ATOM 0 H MET A 123 -4.501 9.215 5.260 1.00 0.00 H new ATOM 0 HA MET A 123 -5.639 9.114 7.163 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.522 12.018 6.955 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.557 10.991 8.374 1.00 0.00 H new ATOM 0 HG2 MET A 123 -4.241 12.423 7.122 1.00 0.00 H new ATOM 0 HG3 MET A 123 -4.571 12.112 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.227 9.270 9.981 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.855 9.934 9.701 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.388 8.383 8.964 1.00 0.00 H new ATOM 1983 N THR A 124 -7.911 8.564 6.430 1.00 0.00 N ATOM 1984 CA THR A 124 -9.257 8.181 6.011 1.00 0.00 C ATOM 1985 C THR A 124 -10.125 7.854 7.216 1.00 0.00 C ATOM 1986 O THR A 124 -9.681 7.949 8.361 1.00 0.00 O ATOM 1987 CB THR A 124 -9.206 6.970 5.080 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.084 5.783 5.847 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.013 7.107 4.144 1.00 0.00 C ATOM 0 H THR A 124 -7.450 7.890 7.041 1.00 0.00 H new ATOM 0 HA THR A 124 -9.692 9.026 5.478 1.00 0.00 H new ATOM 0 HB THR A 124 -10.123 6.920 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.575 5.972 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.972 6.245 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.116 8.017 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.095 7.156 4.730 1.00 0.00 H new ATOM 1997 N THR A 125 -11.367 7.470 6.947 1.00 0.00 N ATOM 1998 CA THR A 125 -12.298 7.132 8.024 1.00 0.00 C ATOM 1999 C THR A 125 -12.167 5.667 8.422 1.00 0.00 C ATOM 2000 O THR A 125 -12.705 5.246 9.446 1.00 0.00 O ATOM 2001 CB THR A 125 -13.740 7.409 7.598 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.401 6.178 7.346 1.00 0.00 O ATOM 2003 CG2 THR A 125 -13.759 8.261 6.333 1.00 0.00 C ATOM 0 H THR A 125 -11.752 7.385 6.006 1.00 0.00 H new ATOM 0 HA THR A 125 -12.047 7.757 8.881 1.00 0.00 H new ATOM 0 HB THR A 125 -14.250 7.946 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.357 5.973 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 125 -14.791 8.452 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.255 9.208 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.245 7.732 5.530 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.456 4.896 7.608 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.264 3.477 7.889 1.00 0.00 C ATOM 2013 C ASN A 126 -9.784 3.119 7.857 1.00 0.00 C ATOM 2014 O ASN A 126 -9.421 1.962 7.646 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.019 2.628 6.868 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.513 2.926 6.932 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -14.107 3.466 5.902 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -14.156 2.660 7.946 1.00 0.00 N flip ATOM 0 H ASN A 126 -11.006 5.225 6.754 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.655 3.272 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.643 2.833 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.844 1.570 7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.690 2.238 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -15.155 2.861 7.984 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.930 4.116 8.073 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.493 3.879 8.077 1.00 0.00 C ATOM 2027 C GLY A 127 -6.741 5.003 7.384 1.00 0.00 C ATOM 2028 O GLY A 127 -7.244 6.121 7.267 1.00 0.00 O ATOM 0 H GLY A 127 -9.205 5.083 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.142 3.784 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.278 2.934 7.578 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.531 4.695 6.932 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.704 5.681 6.249 1.00 0.00 C ATOM 2034 C VAL A 128 -4.247 5.145 4.905 1.00 0.00 C ATOM 2035 O VAL A 128 -4.367 3.950 4.630 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.482 6.022 7.099 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.490 4.860 7.058 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.798 7.286 6.561 1.00 0.00 C ATOM 0 H VAL A 128 -5.103 3.774 7.026 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.299 6.581 6.093 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.806 6.198 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.618 5.104 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.966 3.962 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.178 4.684 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.928 7.519 7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.481 7.118 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.499 8.120 6.593 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.724 6.039 4.073 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.252 5.651 2.753 1.00 0.00 C ATOM 2050 C ILE A 129 -1.758 5.929 2.597 1.00 0.00 C ATOM 2051 O ILE A 129 -1.240 6.938 3.101 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.015 6.428 1.678 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.483 6.002 1.667 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.397 6.148 0.308 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.293 7.008 0.845 1.00 0.00 C ATOM 0 H ILE A 129 -3.617 7.030 4.289 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.425 4.581 2.638 1.00 0.00 H new ATOM 0 HB ILE A 129 -3.952 7.494 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.581 5.003 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.868 5.953 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.941 6.702 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.353 6.461 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.455 5.081 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.341 6.709 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.203 7.999 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.912 7.034 -0.176 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.074 5.037 1.880 1.00 0.00 N ATOM 2068 CA HIS A 130 0.351 5.200 1.636 1.00 0.00 C ATOM 2069 C HIS A 130 0.654 4.922 0.172 1.00 0.00 C ATOM 2070 O HIS A 130 0.563 3.785 -0.284 1.00 0.00 O ATOM 2071 CB HIS A 130 1.141 4.237 2.524 1.00 0.00 C ATOM 2072 CG HIS A 130 2.623 4.508 2.444 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.466 4.202 3.499 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.436 5.022 1.457 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.717 4.525 3.130 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.757 5.030 1.898 1.00 0.00 N ATOM 0 H HIS A 130 -1.484 4.201 1.463 1.00 0.00 H new ATOM 0 HA HIS A 130 0.643 6.223 1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.807 4.334 3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.940 3.210 2.219 1.00 0.00 H new ATOM 0 HD1 HIS A 130 3.187 3.803 4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.100 5.366 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.586 4.391 3.757 1.00 0.00 H new ATOM 2085 N VAL A 131 1.030 5.971 -0.548 1.00 0.00 N ATOM 2086 CA VAL A 131 1.363 5.844 -1.964 1.00 0.00 C ATOM 2087 C VAL A 131 2.869 5.889 -2.159 1.00 0.00 C ATOM 2088 O VAL A 131 3.523 6.861 -1.775 1.00 0.00 O ATOM 2089 CB VAL A 131 0.720 6.976 -2.769 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.857 6.679 -4.261 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.760 7.091 -2.408 1.00 0.00 C ATOM 0 H VAL A 131 1.112 6.918 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 131 0.979 4.887 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 131 1.222 7.915 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.400 7.484 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.913 6.602 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.357 5.739 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.213 7.898 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.265 6.153 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.859 7.304 -1.344 1.00 0.00 H new ATOM 2101 N VAL A 132 3.411 4.836 -2.763 1.00 0.00 N ATOM 2102 CA VAL A 132 4.853 4.767 -3.005 1.00 0.00 C ATOM 2103 C VAL A 132 5.161 4.836 -4.497 1.00 0.00 C ATOM 2104 O VAL A 132 4.257 4.774 -5.333 1.00 0.00 O ATOM 2105 CB VAL A 132 5.414 3.470 -2.425 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.138 3.417 -0.919 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.745 2.276 -3.107 1.00 0.00 C ATOM 0 H VAL A 132 2.884 4.027 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 132 5.322 5.621 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 132 6.490 3.433 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.539 2.491 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.615 4.267 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.063 3.455 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.145 1.350 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.669 2.315 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.944 2.311 -4.178 1.00 0.00 H new ATOM 2117 N ASP A 133 6.448 4.967 -4.821 1.00 0.00 N ATOM 2118 CA ASP A 133 6.879 5.048 -6.214 1.00 0.00 C ATOM 2119 C ASP A 133 7.649 3.793 -6.619 1.00 0.00 C ATOM 2120 O ASP A 133 8.528 3.846 -7.479 1.00 0.00 O ATOM 2121 CB ASP A 133 7.766 6.276 -6.424 1.00 0.00 C ATOM 2122 CG ASP A 133 9.027 6.167 -5.575 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.776 5.225 -5.778 1.00 0.00 O ATOM 2124 OD2 ASP A 133 9.227 7.029 -4.734 1.00 0.00 O ATOM 0 H ASP A 133 7.206 5.019 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 133 5.988 5.132 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.034 6.364 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 133 7.217 7.180 -6.158 1.00 0.00 H new ATOM 2129 N LYS A 134 7.297 2.663 -6.012 1.00 0.00 N ATOM 2130 CA LYS A 134 7.946 1.394 -6.334 1.00 0.00 C ATOM 2131 C LYS A 134 7.261 0.246 -5.595 1.00 0.00 C ATOM 2132 O LYS A 134 6.752 0.425 -4.490 1.00 0.00 O ATOM 2133 CB LYS A 134 9.435 1.464 -5.982 1.00 0.00 C ATOM 2134 CG LYS A 134 9.921 0.136 -5.371 1.00 0.00 C ATOM 2135 CD LYS A 134 11.447 0.144 -5.245 1.00 0.00 C ATOM 2136 CE LYS A 134 11.868 -0.827 -4.133 1.00 0.00 C ATOM 2137 NZ LYS A 134 13.183 -1.443 -4.473 1.00 0.00 N ATOM 0 H LYS A 134 6.571 2.599 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 134 7.855 1.208 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.014 1.690 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.608 2.277 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.468 -0.010 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.604 -0.699 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.903 -0.148 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.800 1.150 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.939 -0.298 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.113 -1.603 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.464 -2.100 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.101 -1.962 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.901 -0.697 -4.569 1.00 0.00 H new ATOM 2151 N LEU A 135 7.272 -0.936 -6.204 1.00 0.00 N ATOM 2152 CA LEU A 135 6.674 -2.108 -5.580 1.00 0.00 C ATOM 2153 C LEU A 135 7.573 -2.587 -4.450 1.00 0.00 C ATOM 2154 O LEU A 135 8.794 -2.623 -4.604 1.00 0.00 O ATOM 2155 CB LEU A 135 6.515 -3.229 -6.611 1.00 0.00 C ATOM 2156 CG LEU A 135 5.668 -4.365 -6.021 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.200 -3.935 -5.902 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.761 -5.588 -6.935 1.00 0.00 C ATOM 0 H LEU A 135 7.685 -1.106 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 135 5.692 -1.843 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.041 -2.841 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.494 -3.608 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 135 6.046 -4.608 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.614 -4.753 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.128 -3.064 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.814 -3.682 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.161 -6.398 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.388 -5.331 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.800 -5.908 -7.010 1.00 0.00 H new ATOM 2170 N LEU A 136 6.978 -2.953 -3.320 1.00 0.00 N ATOM 2171 CA LEU A 136 7.761 -3.424 -2.182 1.00 0.00 C ATOM 2172 C LEU A 136 7.649 -4.940 -2.055 1.00 0.00 C ATOM 2173 O LEU A 136 6.578 -5.471 -1.766 1.00 0.00 O ATOM 2174 CB LEU A 136 7.259 -2.759 -0.900 1.00 0.00 C ATOM 2175 CG LEU A 136 8.175 -1.590 -0.515 1.00 0.00 C ATOM 2176 CD1 LEU A 136 9.555 -2.108 -0.098 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.324 -0.645 -1.710 1.00 0.00 C ATOM 0 H LEU A 136 5.970 -2.934 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 136 8.807 -3.161 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.240 -2.400 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.229 -3.489 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 136 7.731 -1.056 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 136 10.193 -1.267 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 136 9.450 -2.774 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 136 10.005 -2.653 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.975 0.186 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.759 -1.186 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.344 -0.261 -1.994 1.00 0.00 H new ATOM 2189 N TYR A 137 8.761 -5.632 -2.286 1.00 0.00 N ATOM 2190 CA TYR A 137 8.775 -7.085 -2.205 1.00 0.00 C ATOM 2191 C TYR A 137 8.614 -7.550 -0.755 1.00 0.00 C ATOM 2192 O TYR A 137 8.965 -6.823 0.174 1.00 0.00 O ATOM 2193 CB TYR A 137 10.102 -7.594 -2.766 1.00 0.00 C ATOM 2194 CG TYR A 137 9.985 -7.736 -4.261 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.991 -6.599 -5.077 1.00 0.00 C ATOM 2196 CD2 TYR A 137 9.864 -9.005 -4.830 1.00 0.00 C ATOM 2197 CE1 TYR A 137 9.875 -6.735 -6.466 1.00 0.00 C ATOM 2198 CE2 TYR A 137 9.750 -9.144 -6.217 1.00 0.00 C ATOM 2199 CZ TYR A 137 9.756 -8.007 -7.036 1.00 0.00 C ATOM 2200 OH TYR A 137 9.641 -8.143 -8.404 1.00 0.00 O ATOM 0 H TYR A 137 9.658 -5.211 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 137 7.942 -7.484 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.906 -6.902 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 137 10.357 -8.554 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 137 10.085 -5.618 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 137 9.858 -9.881 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.877 -5.858 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 137 9.657 -10.126 -6.656 1.00 0.00 H new ATOM 0 HH TYR A 137 10.258 -8.837 -8.717 1.00 0.00 H new ATOM 2210 N PRO A 138 8.105 -8.743 -0.542 1.00 0.00 N ATOM 2211 CA PRO A 138 7.916 -9.299 0.833 1.00 0.00 C ATOM 2212 C PRO A 138 9.239 -9.494 1.567 1.00 0.00 C ATOM 2213 O PRO A 138 9.264 -9.685 2.782 1.00 0.00 O ATOM 2214 CB PRO A 138 7.226 -10.647 0.601 1.00 0.00 C ATOM 2215 CG PRO A 138 7.514 -11.005 -0.818 1.00 0.00 C ATOM 2216 CD PRO A 138 7.645 -9.688 -1.573 1.00 0.00 C ATOM 0 HA PRO A 138 7.337 -8.622 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 138 7.610 -11.406 1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 138 6.153 -10.574 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.431 -11.589 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.713 -11.615 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.359 -9.765 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.694 -9.378 -2.006 1.00 0.00 H new ATOM 2224 N ALA A 139 10.332 -9.448 0.819 1.00 0.00 N ATOM 2225 CA ALA A 139 11.656 -9.626 1.406 1.00 0.00 C ATOM 2226 C ALA A 139 12.746 -9.367 0.369 1.00 0.00 C ATOM 2227 O ALA A 139 12.571 -9.656 -0.814 1.00 0.00 O ATOM 2228 CB ALA A 139 11.799 -11.047 1.954 1.00 0.00 C ATOM 0 H ALA A 139 10.331 -9.290 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 139 11.768 -8.909 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 139 12.790 -11.171 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 139 11.042 -11.220 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 139 11.667 -11.764 1.144 1.00 0.00 H new ATOM 2234 N ASP A 140 13.871 -8.824 0.822 1.00 0.00 N ATOM 2235 CA ASP A 140 14.985 -8.533 -0.075 1.00 0.00 C ATOM 2236 C ASP A 140 15.834 -9.780 -0.297 1.00 0.00 C ATOM 2237 O ASP A 140 16.248 -10.440 0.656 1.00 0.00 O ATOM 2238 CB ASP A 140 15.854 -7.420 0.513 1.00 0.00 C ATOM 2239 CG ASP A 140 16.005 -6.287 -0.497 1.00 0.00 C ATOM 2240 OD1 ASP A 140 17.125 -5.848 -0.703 1.00 0.00 O ATOM 2241 OD2 ASP A 140 14.999 -5.876 -1.052 1.00 0.00 O ATOM 0 H ASP A 140 14.036 -8.578 1.798 1.00 0.00 H new ATOM 0 HA ASP A 140 14.579 -8.208 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 140 15.404 -7.042 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 140 16.835 -7.815 0.778 1.00 0.00 H new TER 2246 ASP A 140