USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 1 MET N :NH3+ 165:sc= 0.629 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot -170:sc= 0.612 USER MOD Single : A 1 MET CE :methyl 147:sc= -2.94 (180deg=-3.61!) USER MOD Single : A 2 ASN : amide:sc= -0.287 K(o=-0.29,f=-5.4!) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.759!) USER MOD Single : A 14 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.14) USER MOD Single : A 17 THR OG1 : rot 124:sc= 0.667 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -126:sc= 0.492 USER MOD Single : A 34 SER OG : rot 167:sc= -0.522 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -6.04! C(o=-6!,f=-3.3!) USER MOD Single : A 42 MET CE :methyl -143:sc= -0.159 (180deg=-1.89) USER MOD Single : A 56 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 59 ASN : amide:sc= 0.875 K(o=0.88,f=-0.45) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0384) USER MOD Single : A 62 SER OG : rot 180:sc= -0.041 USER MOD Single : A 65 SER OG : rot 10:sc= -0.412 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 0.987 (180deg=-0.635!) USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.389 USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.449 (180deg=-2.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.262 -0.041 10.951 1.00 0.00 N ATOM 2 CA MET A 1 1.877 -0.128 9.606 1.00 0.00 C ATOM 3 C MET A 1 0.995 -0.921 8.644 1.00 0.00 C ATOM 4 O MET A 1 0.451 -0.350 7.707 1.00 0.00 O ATOM 5 CB MET A 1 3.284 -0.744 9.690 1.00 0.00 C ATOM 6 CG MET A 1 4.346 0.234 10.181 1.00 0.00 C ATOM 7 SD MET A 1 5.870 -0.577 10.707 1.00 0.00 S ATOM 8 CE MET A 1 6.327 -1.461 9.220 1.00 0.00 C ATOM 0 H1 MET A 1 1.976 0.271 11.640 1.00 0.00 H new ATOM 0 H2 MET A 1 0.478 0.642 10.931 1.00 0.00 H new ATOM 0 H3 MET A 1 0.899 -0.976 11.228 1.00 0.00 H new ATOM 0 HA MET A 1 1.969 0.885 9.215 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.256 -1.604 10.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.570 -1.115 8.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.575 0.942 9.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.943 0.811 11.014 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.413 -1.508 9.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.922 -2.472 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.924 -0.942 8.350 1.00 0.00 H new ATOM 17 N ASN A 2 0.833 -2.223 8.885 1.00 0.00 N ATOM 18 CA ASN A 2 0.080 -3.092 7.963 1.00 0.00 C ATOM 19 C ASN A 2 -1.312 -2.527 7.657 1.00 0.00 C ATOM 20 O ASN A 2 -1.710 -2.434 6.493 1.00 0.00 O ATOM 21 CB ASN A 2 -0.042 -4.523 8.518 1.00 0.00 C ATOM 22 CG ASN A 2 -0.814 -4.606 9.826 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.778 -3.690 10.647 1.00 0.00 O ATOM 24 ND2 ASN A 2 -1.518 -5.709 10.029 1.00 0.00 N ATOM 0 H ASN A 2 1.208 -2.702 9.704 1.00 0.00 H new ATOM 0 HA ASN A 2 0.644 -3.126 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.534 -5.151 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.957 -4.931 8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.055 -5.820 10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.524 -6.447 9.325 1.00 0.00 H new ATOM 31 N ALA A 3 -2.036 -2.131 8.699 1.00 0.00 N ATOM 32 CA ALA A 3 -3.375 -1.572 8.536 1.00 0.00 C ATOM 33 C ALA A 3 -3.286 -0.142 8.020 1.00 0.00 C ATOM 34 O ALA A 3 -4.072 0.277 7.170 1.00 0.00 O ATOM 35 CB ALA A 3 -4.144 -1.624 9.853 1.00 0.00 C ATOM 0 H ALA A 3 -1.718 -2.187 9.667 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.917 -2.172 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.139 -1.203 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.232 -2.659 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.611 -1.047 10.609 1.00 0.00 H new ATOM 41 N THR A 4 -2.298 0.585 8.529 1.00 0.00 N ATOM 42 CA THR A 4 -2.041 1.965 8.134 1.00 0.00 C ATOM 43 C THR A 4 -1.925 2.084 6.612 1.00 0.00 C ATOM 44 O THR A 4 -2.558 2.936 5.980 1.00 0.00 O ATOM 45 CB THR A 4 -0.720 2.449 8.773 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.661 2.033 10.147 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.580 3.962 8.684 1.00 0.00 C ATOM 0 H THR A 4 -1.649 0.231 9.232 1.00 0.00 H new ATOM 0 HA THR A 4 -2.874 2.579 8.476 1.00 0.00 H new ATOM 0 HB THR A 4 0.105 2.002 8.219 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.095 2.472 10.589 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.360 4.268 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.589 4.267 7.638 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.410 4.436 9.208 1.00 0.00 H new ATOM 55 N ILE A 5 -1.115 1.200 6.041 1.00 0.00 N ATOM 56 CA ILE A 5 -0.833 1.190 4.613 1.00 0.00 C ATOM 57 C ILE A 5 -2.109 0.996 3.799 1.00 0.00 C ATOM 58 O ILE A 5 -2.432 1.815 2.945 1.00 0.00 O ATOM 59 CB ILE A 5 0.195 0.080 4.269 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.518 0.346 5.015 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.428 0.001 2.757 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.438 -0.855 5.101 1.00 0.00 C ATOM 0 H ILE A 5 -0.633 0.466 6.560 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.407 2.159 4.351 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.204 -0.881 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.046 1.158 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.290 0.687 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.152 -0.784 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.513 -0.225 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.810 0.956 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.344 -0.581 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.932 -1.664 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.700 -1.185 4.096 1.00 0.00 H new ATOM 74 N ARG A 6 -2.853 -0.069 4.081 1.00 0.00 N ATOM 75 CA ARG A 6 -4.070 -0.354 3.323 1.00 0.00 C ATOM 76 C ARG A 6 -5.135 0.712 3.587 1.00 0.00 C ATOM 77 O ARG A 6 -6.025 0.931 2.764 1.00 0.00 O ATOM 78 CB ARG A 6 -4.600 -1.775 3.627 1.00 0.00 C ATOM 79 CG ARG A 6 -4.984 -2.046 5.087 1.00 0.00 C ATOM 80 CD ARG A 6 -6.368 -1.505 5.449 1.00 0.00 C ATOM 81 NE ARG A 6 -6.741 -1.833 6.824 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.457 -1.038 7.623 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.905 0.133 7.184 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.738 -1.427 8.857 1.00 0.00 N ATOM 0 H ARG A 6 -2.640 -0.741 4.818 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.823 -0.322 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.474 -1.958 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.839 -2.497 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.960 -3.120 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.240 -1.594 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.380 -0.423 5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.109 -1.917 4.764 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.433 -2.730 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.703 0.431 6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.451 0.734 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.408 -2.331 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.285 -0.822 9.470 1.00 0.00 H new ATOM 98 N GLU A 7 -5.031 1.382 4.735 1.00 0.00 N ATOM 99 CA GLU A 7 -5.996 2.406 5.116 1.00 0.00 C ATOM 100 C GLU A 7 -5.796 3.677 4.297 1.00 0.00 C ATOM 101 O GLU A 7 -6.770 4.332 3.916 1.00 0.00 O ATOM 102 CB GLU A 7 -5.897 2.716 6.616 1.00 0.00 C ATOM 103 CG GLU A 7 -6.969 3.684 7.109 1.00 0.00 C ATOM 104 CD GLU A 7 -6.942 3.888 8.615 1.00 0.00 C ATOM 105 OE1 GLU A 7 -7.244 2.930 9.354 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.630 5.011 9.068 1.00 0.00 O ATOM 0 H GLU A 7 -4.286 1.232 5.416 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.993 2.019 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.974 1.785 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.914 3.136 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.835 4.647 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.950 3.310 6.817 1.00 0.00 H new ATOM 113 N ILE A 8 -4.540 4.026 4.010 1.00 0.00 N ATOM 114 CA ILE A 8 -4.262 5.238 3.246 1.00 0.00 C ATOM 115 C ILE A 8 -4.903 5.146 1.861 1.00 0.00 C ATOM 116 O ILE A 8 -5.342 6.152 1.306 1.00 0.00 O ATOM 117 CB ILE A 8 -2.748 5.556 3.101 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.572 7.035 2.721 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.085 4.659 2.058 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.137 7.460 2.521 1.00 0.00 C ATOM 0 H ILE A 8 -3.715 3.496 4.290 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.698 6.059 3.815 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.262 5.362 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.128 7.231 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.016 7.653 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.027 4.909 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.191 3.616 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.563 4.811 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.104 8.517 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.578 7.300 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.691 6.871 1.720 1.00 0.00 H new ATOM 132 N LEU A 9 -4.968 3.928 1.316 1.00 0.00 N ATOM 133 CA LEU A 9 -5.583 3.695 0.007 1.00 0.00 C ATOM 134 C LEU A 9 -7.048 4.132 0.000 1.00 0.00 C ATOM 135 O LEU A 9 -7.594 4.485 -1.042 1.00 0.00 O ATOM 136 CB LEU A 9 -5.473 2.215 -0.405 1.00 0.00 C ATOM 137 CG LEU A 9 -4.126 1.780 -1.009 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.808 2.596 -2.260 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.000 1.895 0.014 1.00 0.00 C ATOM 0 H LEU A 9 -4.602 3.087 1.762 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.037 4.298 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.671 1.599 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.259 2.001 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.209 0.732 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.852 2.273 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.592 2.445 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.753 3.653 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.061 1.581 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.914 2.930 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.219 1.257 0.870 1.00 0.00 H new ATOM 151 N ALA A 10 -7.672 4.108 1.172 1.00 0.00 N ATOM 152 CA ALA A 10 -9.078 4.471 1.311 1.00 0.00 C ATOM 153 C ALA A 10 -9.276 5.987 1.271 1.00 0.00 C ATOM 154 O ALA A 10 -10.317 6.473 0.820 1.00 0.00 O ATOM 155 CB ALA A 10 -9.635 3.902 2.610 1.00 0.00 C ATOM 0 H ALA A 10 -7.222 3.839 2.047 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.620 4.045 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.685 4.177 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.544 2.816 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.075 4.305 3.454 1.00 0.00 H new ATOM 161 N LYS A 11 -8.276 6.728 1.745 1.00 0.00 N ATOM 162 CA LYS A 11 -8.396 8.179 1.904 1.00 0.00 C ATOM 163 C LYS A 11 -7.511 8.943 0.908 1.00 0.00 C ATOM 164 O LYS A 11 -7.998 9.808 0.178 1.00 0.00 O ATOM 165 CB LYS A 11 -8.077 8.572 3.362 1.00 0.00 C ATOM 166 CG LYS A 11 -6.718 8.087 3.868 1.00 0.00 C ATOM 167 CD LYS A 11 -6.577 8.235 5.386 1.00 0.00 C ATOM 168 CE LYS A 11 -6.811 9.669 5.863 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.825 10.625 5.295 1.00 0.00 N ATOM 0 H LYS A 11 -7.372 6.348 2.026 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.424 8.463 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.116 9.658 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.856 8.172 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.582 7.041 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.927 8.651 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.288 7.572 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.580 7.914 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.817 9.982 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.757 9.700 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.748 11.455 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.897 10.162 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.140 10.928 4.351 1.00 0.00 H new ATOM 183 N PHE A 12 -6.219 8.625 0.872 1.00 0.00 N ATOM 184 CA PHE A 12 -5.279 9.303 -0.029 1.00 0.00 C ATOM 185 C PHE A 12 -5.051 8.500 -1.309 1.00 0.00 C ATOM 186 O PHE A 12 -4.618 9.049 -2.323 1.00 0.00 O ATOM 187 CB PHE A 12 -3.937 9.555 0.679 1.00 0.00 C ATOM 188 CG PHE A 12 -3.809 10.940 1.265 1.00 0.00 C ATOM 189 CD1 PHE A 12 -4.436 11.268 2.456 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.065 11.916 0.616 1.00 0.00 C ATOM 191 CE1 PHE A 12 -4.324 12.539 2.988 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.950 13.186 1.146 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.582 13.498 2.333 1.00 0.00 C ATOM 0 H PHE A 12 -5.795 7.903 1.455 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.722 10.260 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.813 8.821 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.126 9.395 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.019 10.522 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.570 11.679 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.818 12.781 3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.366 13.935 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.495 14.492 2.747 1.00 0.00 H new ATOM 203 N GLY A 13 -5.329 7.206 -1.254 1.00 0.00 N ATOM 204 CA GLY A 13 -5.137 6.359 -2.413 1.00 0.00 C ATOM 205 C GLY A 13 -6.197 6.598 -3.463 1.00 0.00 C ATOM 206 O GLY A 13 -7.391 6.556 -3.166 1.00 0.00 O ATOM 0 H GLY A 13 -5.684 6.727 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.152 6.546 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.158 5.313 -2.107 1.00 0.00 H new ATOM 210 N GLN A 14 -5.768 6.854 -4.692 1.00 0.00 N ATOM 211 CA GLN A 14 -6.696 7.111 -5.790 1.00 0.00 C ATOM 212 C GLN A 14 -7.178 5.792 -6.395 1.00 0.00 C ATOM 213 O GLN A 14 -7.052 5.555 -7.599 1.00 0.00 O ATOM 214 CB GLN A 14 -6.033 8.002 -6.856 1.00 0.00 C ATOM 215 CG GLN A 14 -5.598 9.368 -6.328 1.00 0.00 C ATOM 216 CD GLN A 14 -6.746 10.155 -5.712 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.005 10.070 -4.510 1.00 0.00 O ATOM 218 NE2 GLN A 14 -7.447 10.921 -6.534 1.00 0.00 N ATOM 0 H GLN A 14 -4.783 6.890 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.564 7.643 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.163 7.484 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.730 8.146 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.815 9.232 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.164 9.946 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.202 10.965 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.232 11.467 -6.178 1.00 0.00 H new ATOM 227 N LEU A 15 -7.710 4.928 -5.535 1.00 0.00 N ATOM 228 CA LEU A 15 -8.270 3.651 -5.955 1.00 0.00 C ATOM 229 C LEU A 15 -9.750 3.851 -6.285 1.00 0.00 C ATOM 230 O LEU A 15 -10.508 4.328 -5.439 1.00 0.00 O ATOM 231 CB LEU A 15 -8.098 2.606 -4.834 1.00 0.00 C ATOM 232 CG LEU A 15 -8.426 1.151 -5.215 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.485 0.649 -6.303 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.356 0.238 -3.990 1.00 0.00 C ATOM 0 H LEU A 15 -7.764 5.095 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.748 3.286 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.067 2.645 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.732 2.893 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.444 1.129 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.737 -0.381 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.587 1.275 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.457 0.694 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.592 -0.785 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.352 0.272 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.075 0.575 -3.243 1.00 0.00 H new ATOM 246 N PRO A 16 -10.186 3.488 -7.507 1.00 0.00 N ATOM 247 CA PRO A 16 -11.559 3.748 -7.967 1.00 0.00 C ATOM 248 C PRO A 16 -12.560 2.804 -7.311 1.00 0.00 C ATOM 249 O PRO A 16 -13.774 2.940 -7.469 1.00 0.00 O ATOM 250 CB PRO A 16 -11.477 3.486 -9.474 1.00 0.00 C ATOM 251 CG PRO A 16 -10.373 2.493 -9.631 1.00 0.00 C ATOM 252 CD PRO A 16 -9.393 2.758 -8.515 1.00 0.00 C ATOM 0 HA PRO A 16 -11.902 4.752 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.419 3.094 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.265 4.403 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.757 1.474 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.891 2.600 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.990 1.830 -8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.545 3.350 -8.861 1.00 0.00 H new ATOM 260 N THR A 17 -12.020 1.856 -6.569 1.00 0.00 N ATOM 261 CA THR A 17 -12.785 0.829 -5.917 1.00 0.00 C ATOM 262 C THR A 17 -12.468 0.833 -4.415 1.00 0.00 C ATOM 263 O THR A 17 -11.303 0.952 -4.036 1.00 0.00 O ATOM 264 CB THR A 17 -12.417 -0.525 -6.551 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.865 -0.568 -7.916 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.994 -1.688 -5.776 1.00 0.00 C ATOM 0 H THR A 17 -11.016 1.783 -6.404 1.00 0.00 H new ATOM 0 HA THR A 17 -13.853 1.006 -6.040 1.00 0.00 H new ATOM 0 HB THR A 17 -11.331 -0.618 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.106 -0.765 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.710 -2.623 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.608 -1.673 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.081 -1.607 -5.754 1.00 0.00 H new ATOM 274 N PRO A 18 -13.489 0.724 -3.545 1.00 0.00 N ATOM 275 CA PRO A 18 -13.290 0.781 -2.089 1.00 0.00 C ATOM 276 C PRO A 18 -12.407 -0.364 -1.586 1.00 0.00 C ATOM 277 O PRO A 18 -12.640 -1.529 -1.909 1.00 0.00 O ATOM 278 CB PRO A 18 -14.715 0.671 -1.519 1.00 0.00 C ATOM 279 CG PRO A 18 -15.526 0.060 -2.613 1.00 0.00 C ATOM 280 CD PRO A 18 -14.906 0.531 -3.902 1.00 0.00 C ATOM 0 HA PRO A 18 -12.776 1.691 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.734 0.052 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.104 1.650 -1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.512 -1.028 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.569 0.370 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.024 -0.205 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.362 1.457 -4.253 1.00 0.00 H new ATOM 288 N VAL A 19 -11.402 -0.023 -0.781 1.00 0.00 N ATOM 289 CA VAL A 19 -10.468 -1.008 -0.232 1.00 0.00 C ATOM 290 C VAL A 19 -11.221 -2.058 0.586 1.00 0.00 C ATOM 291 O VAL A 19 -10.775 -3.196 0.727 1.00 0.00 O ATOM 292 CB VAL A 19 -9.399 -0.325 0.659 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.365 -1.333 1.163 1.00 0.00 C ATOM 294 CG2 VAL A 19 -8.723 0.817 -0.098 1.00 0.00 C ATOM 0 H VAL A 19 -11.212 0.936 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.966 -1.494 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.904 0.090 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.630 -0.821 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.864 -2.103 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.862 -1.795 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.975 1.286 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.240 0.425 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.471 1.557 -0.384 1.00 0.00 H new ATOM 304 N ASP A 20 -12.382 -1.658 1.095 1.00 0.00 N ATOM 305 CA ASP A 20 -13.250 -2.529 1.889 1.00 0.00 C ATOM 306 C ASP A 20 -13.575 -3.843 1.164 1.00 0.00 C ATOM 307 O ASP A 20 -13.801 -4.873 1.807 1.00 0.00 O ATOM 308 CB ASP A 20 -14.547 -1.773 2.234 1.00 0.00 C ATOM 309 CG ASP A 20 -15.612 -2.651 2.880 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.391 -3.146 4.005 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.692 -2.829 2.273 1.00 0.00 O ATOM 0 H ASP A 20 -12.752 -0.716 0.969 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.718 -2.795 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.309 -0.950 2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.954 -1.333 1.324 1.00 0.00 H new ATOM 316 N THR A 21 -13.582 -3.817 -0.170 1.00 0.00 N ATOM 317 CA THR A 21 -13.930 -5.007 -0.950 1.00 0.00 C ATOM 318 C THR A 21 -12.722 -5.935 -1.126 1.00 0.00 C ATOM 319 O THR A 21 -12.880 -7.153 -1.230 1.00 0.00 O ATOM 320 CB THR A 21 -14.517 -4.640 -2.339 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.126 -5.796 -2.941 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.444 -4.104 -3.281 1.00 0.00 C ATOM 0 H THR A 21 -13.353 -2.995 -0.728 1.00 0.00 H new ATOM 0 HA THR A 21 -14.698 -5.534 -0.384 1.00 0.00 H new ATOM 0 HB THR A 21 -15.262 -3.861 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.494 -5.553 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.894 -3.858 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.996 -3.208 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.674 -4.862 -3.424 1.00 0.00 H new ATOM 330 N ILE A 22 -11.518 -5.366 -1.144 1.00 0.00 N ATOM 331 CA ILE A 22 -10.298 -6.150 -1.355 1.00 0.00 C ATOM 332 C ILE A 22 -9.648 -6.499 -0.017 1.00 0.00 C ATOM 333 O ILE A 22 -10.132 -6.090 1.039 1.00 0.00 O ATOM 334 CB ILE A 22 -9.277 -5.407 -2.264 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.934 -4.024 -1.683 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.820 -5.279 -3.689 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.979 -3.215 -2.538 1.00 0.00 C ATOM 0 H ILE A 22 -11.359 -4.367 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.590 -7.068 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.360 -5.995 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.856 -3.458 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.497 -4.155 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.092 -4.757 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.001 -6.272 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.754 -4.717 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.788 -2.254 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.041 -3.758 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.421 -3.050 -3.521 1.00 0.00 H new ATOM 349 N ALA A 23 -8.557 -7.259 -0.066 1.00 0.00 N ATOM 350 CA ALA A 23 -7.888 -7.719 1.147 1.00 0.00 C ATOM 351 C ALA A 23 -6.434 -8.083 0.862 1.00 0.00 C ATOM 352 O ALA A 23 -5.996 -8.073 -0.291 1.00 0.00 O ATOM 353 CB ALA A 23 -8.634 -8.913 1.738 1.00 0.00 C ATOM 0 H ALA A 23 -8.118 -7.569 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.895 -6.906 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.126 -9.248 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.655 -8.619 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.654 -9.725 1.011 1.00 0.00 H new ATOM 359 N ASP A 24 -5.700 -8.418 1.918 1.00 0.00 N ATOM 360 CA ASP A 24 -4.281 -8.767 1.812 1.00 0.00 C ATOM 361 C ASP A 24 -4.092 -10.052 1.009 1.00 0.00 C ATOM 362 O ASP A 24 -3.089 -10.216 0.313 1.00 0.00 O ATOM 363 CB ASP A 24 -3.660 -8.928 3.207 1.00 0.00 C ATOM 364 CG ASP A 24 -4.171 -10.158 3.943 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.398 -10.247 4.183 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.351 -11.028 4.297 1.00 0.00 O ATOM 0 H ASP A 24 -6.067 -8.456 2.869 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.776 -7.954 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.576 -8.992 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.876 -8.040 3.800 1.00 0.00 H new ATOM 371 N GLU A 25 -5.059 -10.959 1.120 1.00 0.00 N ATOM 372 CA GLU A 25 -5.040 -12.223 0.383 1.00 0.00 C ATOM 373 C GLU A 25 -5.644 -12.057 -1.010 1.00 0.00 C ATOM 374 O GLU A 25 -5.855 -13.038 -1.726 1.00 0.00 O ATOM 375 CB GLU A 25 -5.804 -13.300 1.167 1.00 0.00 C ATOM 376 CG GLU A 25 -5.077 -13.783 2.419 1.00 0.00 C ATOM 377 CD GLU A 25 -3.889 -14.674 2.099 1.00 0.00 C ATOM 378 OE1 GLU A 25 -2.832 -14.149 1.695 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.013 -15.911 2.240 1.00 0.00 O ATOM 0 H GLU A 25 -5.875 -10.841 1.720 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.002 -12.534 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.778 -12.905 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.986 -14.152 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.736 -12.921 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.776 -14.330 3.052 1.00 0.00 H new ATOM 386 N ALA A 26 -5.916 -10.815 -1.390 1.00 0.00 N ATOM 387 CA ALA A 26 -6.485 -10.511 -2.698 1.00 0.00 C ATOM 388 C ALA A 26 -5.510 -9.678 -3.524 1.00 0.00 C ATOM 389 O ALA A 26 -4.523 -9.154 -2.999 1.00 0.00 O ATOM 390 CB ALA A 26 -7.814 -9.781 -2.540 1.00 0.00 C ATOM 0 H ALA A 26 -5.750 -9.995 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.666 -11.448 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.227 -9.560 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.511 -10.410 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.655 -8.850 -1.996 1.00 0.00 H new ATOM 396 N ASP A 27 -5.786 -9.570 -4.818 1.00 0.00 N ATOM 397 CA ASP A 27 -4.962 -8.777 -5.724 1.00 0.00 C ATOM 398 C ASP A 27 -5.449 -7.332 -5.737 1.00 0.00 C ATOM 399 O ASP A 27 -6.492 -7.028 -6.315 1.00 0.00 O ATOM 400 CB ASP A 27 -5.001 -9.360 -7.146 1.00 0.00 C ATOM 401 CG ASP A 27 -4.408 -10.759 -7.224 1.00 0.00 C ATOM 402 OD1 ASP A 27 -3.166 -10.882 -7.294 1.00 0.00 O ATOM 403 OD2 ASP A 27 -5.178 -11.743 -7.216 1.00 0.00 O ATOM 0 H ASP A 27 -6.581 -10.025 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.931 -8.805 -5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.033 -9.388 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.454 -8.700 -7.820 1.00 0.00 H new ATOM 408 N LEU A 28 -4.693 -6.446 -5.094 1.00 0.00 N ATOM 409 CA LEU A 28 -5.079 -5.037 -4.973 1.00 0.00 C ATOM 410 C LEU A 28 -5.323 -4.406 -6.345 1.00 0.00 C ATOM 411 O LEU A 28 -6.269 -3.634 -6.530 1.00 0.00 O ATOM 412 CB LEU A 28 -3.998 -4.243 -4.228 1.00 0.00 C ATOM 413 CG LEU A 28 -3.607 -4.784 -2.843 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.640 -3.826 -2.152 1.00 0.00 C ATOM 415 CD2 LEU A 28 -4.843 -5.027 -1.978 1.00 0.00 C ATOM 0 H LEU A 28 -3.806 -6.677 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.009 -5.001 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.104 -4.210 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.343 -3.216 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.105 -5.742 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.372 -4.223 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.740 -3.717 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.116 -2.853 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.536 -5.409 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.384 -4.090 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.491 -5.755 -2.466 1.00 0.00 H new ATOM 427 N TYR A 29 -4.471 -4.748 -7.310 1.00 0.00 N ATOM 428 CA TYR A 29 -4.558 -4.171 -8.651 1.00 0.00 C ATOM 429 C TYR A 29 -5.857 -4.569 -9.351 1.00 0.00 C ATOM 430 O TYR A 29 -6.300 -3.885 -10.271 1.00 0.00 O ATOM 431 CB TYR A 29 -3.340 -4.560 -9.502 1.00 0.00 C ATOM 432 CG TYR A 29 -3.108 -6.055 -9.642 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.697 -6.781 -10.675 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.286 -6.735 -8.752 1.00 0.00 C ATOM 435 CE1 TYR A 29 -3.471 -8.136 -10.813 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.052 -8.088 -8.887 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.649 -8.785 -9.916 1.00 0.00 C ATOM 438 OH TYR A 29 -2.414 -10.133 -10.056 1.00 0.00 O ATOM 0 H TYR A 29 -3.714 -5.421 -7.189 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.561 -3.087 -8.537 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.458 -4.131 -10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.450 -4.108 -9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.341 -6.276 -11.379 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.822 -6.195 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.935 -8.685 -11.619 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.404 -8.599 -8.190 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.626 -10.591 -9.216 1.00 0.00 H new ATOM 448 N ALA A 30 -6.475 -5.660 -8.899 1.00 0.00 N ATOM 449 CA ALA A 30 -7.742 -6.121 -9.471 1.00 0.00 C ATOM 450 C ALA A 30 -8.847 -5.094 -9.226 1.00 0.00 C ATOM 451 O ALA A 30 -9.817 -5.016 -9.984 1.00 0.00 O ATOM 452 CB ALA A 30 -8.131 -7.476 -8.889 1.00 0.00 C ATOM 0 H ALA A 30 -6.120 -6.241 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.612 -6.234 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.075 -7.802 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.354 -8.206 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.242 -7.389 -7.808 1.00 0.00 H new ATOM 458 N ALA A 31 -8.686 -4.307 -8.161 1.00 0.00 N ATOM 459 CA ALA A 31 -9.627 -3.238 -7.831 1.00 0.00 C ATOM 460 C ALA A 31 -9.377 -2.015 -8.711 1.00 0.00 C ATOM 461 O ALA A 31 -10.202 -1.103 -8.781 1.00 0.00 O ATOM 462 CB ALA A 31 -9.505 -2.867 -6.357 1.00 0.00 C ATOM 0 H ALA A 31 -7.906 -4.392 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.640 -3.595 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.211 -2.070 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.726 -3.740 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.491 -2.526 -6.150 1.00 0.00 H new ATOM 468 N GLY A 32 -8.222 -2.007 -9.367 1.00 0.00 N ATOM 469 CA GLY A 32 -7.857 -0.913 -10.253 1.00 0.00 C ATOM 470 C GLY A 32 -6.771 -0.037 -9.662 1.00 0.00 C ATOM 471 O GLY A 32 -6.807 1.189 -9.796 1.00 0.00 O ATOM 0 H GLY A 32 -7.523 -2.747 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.517 -1.318 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.738 -0.306 -10.461 1.00 0.00 H new ATOM 475 N LEU A 33 -5.802 -0.663 -9.001 1.00 0.00 N ATOM 476 CA LEU A 33 -4.699 0.065 -8.386 1.00 0.00 C ATOM 477 C LEU A 33 -3.679 0.464 -9.454 1.00 0.00 C ATOM 478 O LEU A 33 -2.937 -0.379 -9.962 1.00 0.00 O ATOM 479 CB LEU A 33 -4.037 -0.793 -7.294 1.00 0.00 C ATOM 480 CG LEU A 33 -2.914 -0.109 -6.491 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.434 1.133 -5.769 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.292 -1.089 -5.496 1.00 0.00 C ATOM 0 H LEU A 33 -5.759 -1.675 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.086 0.971 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.809 -1.119 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.629 -1.690 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.142 0.208 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.621 1.596 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.822 1.843 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.230 0.848 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.501 -0.588 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.058 -1.440 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.873 -1.939 -6.035 1.00 0.00 H new ATOM 494 N SER A 34 -3.664 1.749 -9.797 1.00 0.00 N ATOM 495 CA SER A 34 -2.757 2.273 -10.814 1.00 0.00 C ATOM 496 C SER A 34 -1.538 2.926 -10.164 1.00 0.00 C ATOM 497 O SER A 34 -1.540 3.208 -8.958 1.00 0.00 O ATOM 498 CB SER A 34 -3.491 3.288 -11.703 1.00 0.00 C ATOM 499 OG SER A 34 -2.614 3.863 -12.659 1.00 0.00 O ATOM 0 H SER A 34 -4.275 2.452 -9.381 1.00 0.00 H new ATOM 0 HA SER A 34 -2.414 1.443 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.318 2.796 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.922 4.074 -11.083 1.00 0.00 H new ATOM 0 HG SER A 34 -3.137 4.339 -13.338 1.00 0.00 H new ATOM 505 N SER A 35 -0.512 3.182 -10.976 1.00 0.00 N ATOM 506 CA SER A 35 0.730 3.785 -10.505 1.00 0.00 C ATOM 507 C SER A 35 0.457 5.123 -9.816 1.00 0.00 C ATOM 508 O SER A 35 1.083 5.451 -8.808 1.00 0.00 O ATOM 509 CB SER A 35 1.685 3.987 -11.687 1.00 0.00 C ATOM 510 OG SER A 35 1.812 2.799 -12.454 1.00 0.00 O ATOM 0 H SER A 35 -0.520 2.977 -11.975 1.00 0.00 H new ATOM 0 HA SER A 35 1.190 3.115 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.318 4.794 -12.321 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.665 4.291 -11.318 1.00 0.00 H new ATOM 0 HG SER A 35 2.425 2.957 -13.202 1.00 0.00 H new ATOM 516 N PHE A 36 -0.493 5.882 -10.363 1.00 0.00 N ATOM 517 CA PHE A 36 -0.859 7.191 -9.815 1.00 0.00 C ATOM 518 C PHE A 36 -1.238 7.069 -8.340 1.00 0.00 C ATOM 519 O PHE A 36 -0.796 7.854 -7.502 1.00 0.00 O ATOM 520 CB PHE A 36 -2.031 7.795 -10.605 1.00 0.00 C ATOM 521 CG PHE A 36 -1.748 7.982 -12.077 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.159 9.149 -12.545 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.071 6.989 -12.993 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.901 9.320 -13.893 1.00 0.00 C ATOM 525 CE2 PHE A 36 -1.814 7.157 -14.341 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.228 8.323 -14.791 1.00 0.00 C ATOM 0 H PHE A 36 -1.026 5.612 -11.190 1.00 0.00 H new ATOM 0 HA PHE A 36 0.005 7.850 -9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.903 7.150 -10.492 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.290 8.760 -10.170 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.899 9.932 -11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.529 6.074 -12.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.444 10.233 -14.243 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.072 6.376 -15.042 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.026 8.455 -15.844 1.00 0.00 H new ATOM 536 N ALA A 37 -2.048 6.060 -8.034 1.00 0.00 N ATOM 537 CA ALA A 37 -2.504 5.827 -6.669 1.00 0.00 C ATOM 538 C ALA A 37 -1.385 5.243 -5.814 1.00 0.00 C ATOM 539 O ALA A 37 -1.220 5.611 -4.649 1.00 0.00 O ATOM 540 CB ALA A 37 -3.710 4.895 -6.670 1.00 0.00 C ATOM 0 H ALA A 37 -2.403 5.389 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.797 6.784 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.042 4.728 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.519 5.347 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.433 3.942 -7.121 1.00 0.00 H new ATOM 546 N SER A 38 -0.613 4.341 -6.413 1.00 0.00 N ATOM 547 CA SER A 38 0.442 3.628 -5.704 1.00 0.00 C ATOM 548 C SER A 38 1.538 4.588 -5.232 1.00 0.00 C ATOM 549 O SER A 38 1.843 4.660 -4.041 1.00 0.00 O ATOM 550 CB SER A 38 1.033 2.535 -6.607 1.00 0.00 C ATOM 551 OG SER A 38 2.027 1.784 -5.931 1.00 0.00 O ATOM 0 H SER A 38 -0.701 4.086 -7.397 1.00 0.00 H new ATOM 0 HA SER A 38 0.008 3.161 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.238 1.869 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.464 2.991 -7.498 1.00 0.00 H new ATOM 0 HG SER A 38 2.382 1.096 -6.532 1.00 0.00 H new ATOM 557 N VAL A 39 2.103 5.345 -6.166 1.00 0.00 N ATOM 558 CA VAL A 39 3.187 6.273 -5.851 1.00 0.00 C ATOM 559 C VAL A 39 2.732 7.309 -4.826 1.00 0.00 C ATOM 560 O VAL A 39 3.460 7.635 -3.885 1.00 0.00 O ATOM 561 CB VAL A 39 3.705 6.993 -7.124 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.826 7.976 -6.786 1.00 0.00 C ATOM 563 CG2 VAL A 39 4.174 5.974 -8.164 1.00 0.00 C ATOM 0 H VAL A 39 1.829 5.335 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 39 4.003 5.686 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 39 2.878 7.563 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.168 8.465 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.454 8.727 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.656 7.438 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.534 6.497 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.981 5.372 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.342 5.325 -8.439 1.00 0.00 H new ATOM 573 N GLN A 40 1.507 7.800 -4.997 1.00 0.00 N ATOM 574 CA GLN A 40 0.970 8.850 -4.138 1.00 0.00 C ATOM 575 C GLN A 40 0.824 8.350 -2.699 1.00 0.00 C ATOM 576 O GLN A 40 1.150 9.068 -1.749 1.00 0.00 O ATOM 577 CB GLN A 40 -0.383 9.345 -4.690 1.00 0.00 C ATOM 578 CG GLN A 40 -0.858 10.689 -4.125 1.00 0.00 C ATOM 579 CD GLN A 40 -1.340 10.626 -2.682 1.00 0.00 C ATOM 580 OE1 GLN A 40 -1.194 11.584 -1.927 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.943 9.513 -2.293 1.00 0.00 N ATOM 0 H GLN A 40 0.866 7.486 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 40 1.668 9.688 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.308 9.429 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.142 8.591 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.041 11.407 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.667 11.067 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.048 8.735 -2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.302 9.433 -1.342 1.00 0.00 H new ATOM 590 N LEU A 41 0.357 7.110 -2.539 1.00 0.00 N ATOM 591 CA LEU A 41 0.086 6.565 -1.209 1.00 0.00 C ATOM 592 C LEU A 41 1.367 6.531 -0.375 1.00 0.00 C ATOM 593 O LEU A 41 1.319 6.601 0.853 1.00 0.00 O ATOM 594 CB LEU A 41 -0.562 5.162 -1.305 1.00 0.00 C ATOM 595 CG LEU A 41 0.395 3.951 -1.442 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.804 3.408 -0.072 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.239 2.844 -2.283 1.00 0.00 C ATOM 0 H LEU A 41 0.160 6.469 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.626 7.220 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.174 5.011 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.237 5.159 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 41 1.293 4.301 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.475 2.559 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.313 4.190 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.084 3.088 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.454 2.006 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.161 2.509 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.463 3.227 -3.279 1.00 0.00 H new ATOM 609 N MET A 42 2.512 6.448 -1.050 1.00 0.00 N ATOM 610 CA MET A 42 3.798 6.380 -0.369 1.00 0.00 C ATOM 611 C MET A 42 4.096 7.703 0.328 1.00 0.00 C ATOM 612 O MET A 42 4.602 7.724 1.449 1.00 0.00 O ATOM 613 CB MET A 42 4.924 6.052 -1.359 1.00 0.00 C ATOM 614 CG MET A 42 4.651 4.831 -2.228 1.00 0.00 C ATOM 615 SD MET A 42 6.111 4.287 -3.136 1.00 0.00 S ATOM 616 CE MET A 42 6.567 5.786 -4.007 1.00 0.00 C ATOM 0 H MET A 42 2.573 6.426 -2.068 1.00 0.00 H new ATOM 0 HA MET A 42 3.745 5.585 0.375 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.089 6.915 -2.005 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.847 5.890 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.293 4.015 -1.600 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.854 5.063 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.937 5.531 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.695 6.433 -4.099 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.347 6.306 -3.452 1.00 0.00 H new ATOM 626 N LEU A 43 3.755 8.803 -0.338 1.00 0.00 N ATOM 627 CA LEU A 43 4.023 10.141 0.182 1.00 0.00 C ATOM 628 C LEU A 43 3.290 10.361 1.505 1.00 0.00 C ATOM 629 O LEU A 43 3.855 10.903 2.457 1.00 0.00 O ATOM 630 CB LEU A 43 3.601 11.205 -0.843 1.00 0.00 C ATOM 631 CG LEU A 43 4.288 11.106 -2.217 1.00 0.00 C ATOM 632 CD1 LEU A 43 3.780 12.197 -3.157 1.00 0.00 C ATOM 633 CD2 LEU A 43 5.807 11.184 -2.068 1.00 0.00 C ATOM 0 H LEU A 43 3.289 8.793 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 43 5.094 10.232 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.523 11.137 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.805 12.190 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 43 4.038 10.139 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.279 12.108 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.704 12.088 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.993 13.176 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.273 11.112 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.079 12.133 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.154 10.363 -1.441 1.00 0.00 H new ATOM 645 N GLY A 44 2.036 9.918 1.557 1.00 0.00 N ATOM 646 CA GLY A 44 1.242 10.054 2.766 1.00 0.00 C ATOM 647 C GLY A 44 1.653 9.053 3.831 1.00 0.00 C ATOM 648 O GLY A 44 1.697 9.372 5.018 1.00 0.00 O ATOM 0 H GLY A 44 1.554 9.466 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.349 11.065 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.188 9.915 2.525 1.00 0.00 H new ATOM 652 N ILE A 45 1.961 7.835 3.395 1.00 0.00 N ATOM 653 CA ILE A 45 2.381 6.767 4.299 1.00 0.00 C ATOM 654 C ILE A 45 3.748 7.074 4.918 1.00 0.00 C ATOM 655 O ILE A 45 4.044 6.638 6.037 1.00 0.00 O ATOM 656 CB ILE A 45 2.384 5.391 3.564 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.010 4.709 3.696 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.497 4.467 4.058 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.571 4.475 5.129 1.00 0.00 C ATOM 0 H ILE A 45 1.927 7.561 2.413 1.00 0.00 H new ATOM 0 HA ILE A 45 1.660 6.708 5.114 1.00 0.00 H new ATOM 0 HB ILE A 45 2.583 5.589 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.262 5.322 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.040 3.752 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.455 3.523 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.464 4.940 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.367 4.278 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.406 3.991 5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.296 3.835 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.507 5.430 5.650 1.00 0.00 H new ATOM 671 N GLU A 46 4.562 7.845 4.199 1.00 0.00 N ATOM 672 CA GLU A 46 5.873 8.264 4.690 1.00 0.00 C ATOM 673 C GLU A 46 5.744 8.921 6.066 1.00 0.00 C ATOM 674 O GLU A 46 6.367 8.487 7.035 1.00 0.00 O ATOM 675 CB GLU A 46 6.518 9.241 3.694 1.00 0.00 C ATOM 676 CG GLU A 46 7.850 9.818 4.160 1.00 0.00 C ATOM 677 CD GLU A 46 8.461 10.769 3.144 1.00 0.00 C ATOM 678 OE1 GLU A 46 7.980 11.920 3.031 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.422 10.373 2.450 1.00 0.00 O ATOM 0 H GLU A 46 4.334 8.194 3.268 1.00 0.00 H new ATOM 0 HA GLU A 46 6.509 7.384 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.669 8.728 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.825 10.061 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.704 10.344 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.547 9.003 4.355 1.00 0.00 H new ATOM 686 N GLU A 47 4.898 9.945 6.150 1.00 0.00 N ATOM 687 CA GLU A 47 4.689 10.671 7.400 1.00 0.00 C ATOM 688 C GLU A 47 3.951 9.793 8.412 1.00 0.00 C ATOM 689 O GLU A 47 4.127 9.942 9.625 1.00 0.00 O ATOM 690 CB GLU A 47 3.911 11.976 7.158 1.00 0.00 C ATOM 691 CG GLU A 47 2.475 11.765 6.685 1.00 0.00 C ATOM 692 CD GLU A 47 1.691 13.063 6.580 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.408 13.680 7.633 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.344 13.470 5.449 1.00 0.00 O ATOM 0 H GLU A 47 4.345 10.291 5.366 1.00 0.00 H new ATOM 0 HA GLU A 47 5.667 10.929 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.897 12.555 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.443 12.572 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.487 11.274 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.965 11.093 7.375 1.00 0.00 H new ATOM 701 N ALA A 48 3.119 8.887 7.900 1.00 0.00 N ATOM 702 CA ALA A 48 2.249 8.062 8.735 1.00 0.00 C ATOM 703 C ALA A 48 3.020 7.342 9.843 1.00 0.00 C ATOM 704 O ALA A 48 2.625 7.405 11.011 1.00 0.00 O ATOM 705 CB ALA A 48 1.488 7.055 7.881 1.00 0.00 C ATOM 0 H ALA A 48 3.030 8.705 6.900 1.00 0.00 H new ATOM 0 HA ALA A 48 1.538 8.733 9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.845 6.449 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.878 7.585 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.196 6.409 7.362 1.00 0.00 H new ATOM 711 N PHE A 49 4.120 6.662 9.501 1.00 0.00 N ATOM 712 CA PHE A 49 4.891 5.951 10.524 1.00 0.00 C ATOM 713 C PHE A 49 6.384 6.295 10.515 1.00 0.00 C ATOM 714 O PHE A 49 6.990 6.371 11.586 1.00 0.00 O ATOM 715 CB PHE A 49 4.683 4.428 10.417 1.00 0.00 C ATOM 716 CG PHE A 49 5.105 3.808 9.105 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.423 3.424 8.891 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.179 3.590 8.095 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.806 2.839 7.700 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.561 3.006 6.902 1.00 0.00 C ATOM 721 CZ PHE A 49 5.875 2.632 6.704 1.00 0.00 C ATOM 0 H PHE A 49 4.488 6.590 8.552 1.00 0.00 H new ATOM 0 HA PHE A 49 4.503 6.296 11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.236 3.945 11.222 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.628 4.210 10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.158 3.585 9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.149 3.880 8.243 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.834 2.544 7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.830 2.842 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.173 2.178 5.771 1.00 0.00 H new ATOM 731 N ASP A 50 6.977 6.553 9.340 1.00 0.00 N ATOM 732 CA ASP A 50 8.424 6.817 9.276 1.00 0.00 C ATOM 733 C ASP A 50 8.892 7.111 7.847 1.00 0.00 C ATOM 734 O ASP A 50 9.308 8.231 7.544 1.00 0.00 O ATOM 735 CB ASP A 50 9.217 5.626 9.847 1.00 0.00 C ATOM 736 CG ASP A 50 10.681 5.955 10.113 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.951 6.841 10.953 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.566 5.313 9.514 1.00 0.00 O ATOM 0 H ASP A 50 6.493 6.585 8.442 1.00 0.00 H new ATOM 0 HA ASP A 50 8.614 7.704 9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.750 5.298 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.160 4.791 9.149 1.00 0.00 H new ATOM 743 N ILE A 51 8.821 6.108 6.968 1.00 0.00 N ATOM 744 CA ILE A 51 9.327 6.243 5.594 1.00 0.00 C ATOM 745 C ILE A 51 8.343 5.660 4.581 1.00 0.00 C ATOM 746 O ILE A 51 7.328 5.065 4.954 1.00 0.00 O ATOM 747 CB ILE A 51 10.717 5.559 5.386 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.623 4.016 5.466 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.743 6.091 6.384 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.238 3.459 6.827 1.00 0.00 C ATOM 0 H ILE A 51 8.420 5.195 7.180 1.00 0.00 H new ATOM 0 HA ILE A 51 9.443 7.314 5.431 1.00 0.00 H new ATOM 0 HB ILE A 51 11.051 5.812 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.893 3.674 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.586 3.594 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.701 5.599 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.859 7.166 6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.402 5.888 7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.200 2.371 6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.978 3.763 7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.259 3.844 7.114 1.00 0.00 H new ATOM 762 N GLU A 52 8.661 5.839 3.301 1.00 0.00 N ATOM 763 CA GLU A 52 7.850 5.311 2.205 1.00 0.00 C ATOM 764 C GLU A 52 8.530 4.108 1.547 1.00 0.00 C ATOM 765 O GLU A 52 9.689 3.798 1.831 1.00 0.00 O ATOM 766 CB GLU A 52 7.524 6.401 1.164 1.00 0.00 C ATOM 767 CG GLU A 52 8.608 7.457 0.950 1.00 0.00 C ATOM 768 CD GLU A 52 9.931 6.898 0.441 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.082 6.728 -0.791 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.833 6.646 1.270 1.00 0.00 O ATOM 0 H GLU A 52 9.487 6.353 2.994 1.00 0.00 H new ATOM 0 HA GLU A 52 6.905 4.973 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.321 5.917 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.606 6.905 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.242 8.199 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.784 7.977 1.892 1.00 0.00 H new ATOM 777 N PHE A 53 7.781 3.425 0.690 1.00 0.00 N ATOM 778 CA PHE A 53 8.243 2.202 0.043 1.00 0.00 C ATOM 779 C PHE A 53 9.408 2.469 -0.916 1.00 0.00 C ATOM 780 O PHE A 53 9.295 3.281 -1.835 1.00 0.00 O ATOM 781 CB PHE A 53 7.070 1.551 -0.694 1.00 0.00 C ATOM 782 CG PHE A 53 5.952 1.155 0.237 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.164 0.198 1.220 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.701 1.750 0.147 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.151 -0.158 2.090 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.687 1.396 1.016 1.00 0.00 C ATOM 787 CZ PHE A 53 3.912 0.440 1.987 1.00 0.00 C ATOM 0 H PHE A 53 6.836 3.703 0.424 1.00 0.00 H new ATOM 0 HA PHE A 53 8.616 1.523 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.686 2.243 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.424 0.669 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.132 -0.274 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.518 2.498 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.329 -0.904 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.718 1.867 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.119 0.161 2.665 1.00 0.00 H new ATOM 797 N PRO A 54 10.550 1.778 -0.707 1.00 0.00 N ATOM 798 CA PRO A 54 11.750 1.951 -1.536 1.00 0.00 C ATOM 799 C PRO A 54 11.628 1.249 -2.894 1.00 0.00 C ATOM 800 O PRO A 54 10.866 0.286 -3.045 1.00 0.00 O ATOM 801 CB PRO A 54 12.845 1.302 -0.682 1.00 0.00 C ATOM 802 CG PRO A 54 12.133 0.222 0.055 1.00 0.00 C ATOM 803 CD PRO A 54 10.765 0.779 0.362 1.00 0.00 C ATOM 0 HA PRO A 54 11.941 2.995 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.648 0.901 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.297 2.021 0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.062 -0.684 -0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.663 -0.044 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.002 0.001 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.731 1.236 1.351 1.00 0.00 H new ATOM 811 N ASP A 55 12.409 1.725 -3.865 1.00 0.00 N ATOM 812 CA ASP A 55 12.361 1.225 -5.244 1.00 0.00 C ATOM 813 C ASP A 55 12.466 -0.294 -5.297 1.00 0.00 C ATOM 814 O ASP A 55 11.786 -0.937 -6.097 1.00 0.00 O ATOM 815 CB ASP A 55 13.490 1.836 -6.084 1.00 0.00 C ATOM 816 CG ASP A 55 13.373 3.344 -6.222 1.00 0.00 C ATOM 817 OD1 ASP A 55 13.879 4.068 -5.339 1.00 0.00 O ATOM 818 OD2 ASP A 55 12.785 3.813 -7.220 1.00 0.00 O ATOM 0 H ASP A 55 13.093 2.468 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 55 11.396 1.522 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.449 1.591 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.484 1.384 -7.076 1.00 0.00 H new ATOM 823 N ASN A 56 13.305 -0.854 -4.425 1.00 0.00 N ATOM 824 CA ASN A 56 13.579 -2.297 -4.403 1.00 0.00 C ATOM 825 C ASN A 56 12.294 -3.126 -4.472 1.00 0.00 C ATOM 826 O ASN A 56 12.211 -4.097 -5.225 1.00 0.00 O ATOM 827 CB ASN A 56 14.374 -2.671 -3.142 1.00 0.00 C ATOM 828 CG ASN A 56 14.661 -4.163 -3.050 1.00 0.00 C ATOM 829 OD1 ASN A 56 15.667 -4.649 -3.570 1.00 0.00 O ATOM 830 ND2 ASN A 56 13.785 -4.900 -2.381 1.00 0.00 N ATOM 0 H ASN A 56 13.813 -0.326 -3.716 1.00 0.00 H new ATOM 0 HA ASN A 56 14.171 -2.527 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.316 -2.123 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.816 -2.357 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.933 -5.905 -2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.963 -4.462 -1.964 1.00 0.00 H new ATOM 837 N LEU A 57 11.289 -2.734 -3.695 1.00 0.00 N ATOM 838 CA LEU A 57 10.021 -3.464 -3.658 1.00 0.00 C ATOM 839 C LEU A 57 8.937 -2.713 -4.434 1.00 0.00 C ATOM 840 O LEU A 57 7.881 -3.266 -4.739 1.00 0.00 O ATOM 841 CB LEU A 57 9.596 -3.733 -2.196 1.00 0.00 C ATOM 842 CG LEU A 57 9.585 -2.516 -1.240 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.400 -1.596 -1.519 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.576 -2.977 0.219 1.00 0.00 C ATOM 0 H LEU A 57 11.325 -1.918 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 57 10.159 -4.428 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.596 -4.166 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.265 -4.486 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 57 10.497 -1.946 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.424 -0.752 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.458 -1.229 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.470 -2.149 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.568 -2.107 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.687 -3.580 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.466 -3.573 0.418 1.00 0.00 H new ATOM 856 N LEU A 58 9.223 -1.456 -4.767 1.00 0.00 N ATOM 857 CA LEU A 58 8.282 -0.600 -5.489 1.00 0.00 C ATOM 858 C LEU A 58 8.071 -1.100 -6.921 1.00 0.00 C ATOM 859 O LEU A 58 7.060 -0.799 -7.556 1.00 0.00 O ATOM 860 CB LEU A 58 8.799 0.846 -5.495 1.00 0.00 C ATOM 861 CG LEU A 58 7.892 1.887 -6.174 1.00 0.00 C ATOM 862 CD1 LEU A 58 6.539 1.977 -5.472 1.00 0.00 C ATOM 863 CD2 LEU A 58 8.575 3.253 -6.206 1.00 0.00 C ATOM 0 H LEU A 58 10.110 -1.003 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 58 7.319 -0.634 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.964 1.156 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.770 0.861 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 58 7.716 1.564 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.918 2.720 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.044 1.006 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.687 2.269 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.919 3.977 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.786 3.578 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.509 3.180 -6.764 1.00 0.00 H new ATOM 875 N ASN A 59 9.035 -1.866 -7.424 1.00 0.00 N ATOM 876 CA ASN A 59 8.955 -2.421 -8.778 1.00 0.00 C ATOM 877 C ASN A 59 8.537 -3.891 -8.738 1.00 0.00 C ATOM 878 O ASN A 59 8.460 -4.554 -9.775 1.00 0.00 O ATOM 879 CB ASN A 59 10.311 -2.297 -9.496 1.00 0.00 C ATOM 880 CG ASN A 59 11.373 -3.226 -8.922 1.00 0.00 C ATOM 881 OD1 ASN A 59 11.482 -4.385 -9.321 1.00 0.00 O ATOM 882 ND2 ASN A 59 12.174 -2.725 -7.999 1.00 0.00 N ATOM 0 H ASN A 59 9.883 -2.119 -6.916 1.00 0.00 H new ATOM 0 HA ASN A 59 8.204 -1.852 -9.326 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.177 -2.517 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.660 -1.267 -9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.910 -3.303 -7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.056 -1.760 -7.691 1.00 0.00 H new ATOM 889 N ARG A 60 8.246 -4.397 -7.542 1.00 0.00 N ATOM 890 CA ARG A 60 8.039 -5.831 -7.353 1.00 0.00 C ATOM 891 C ARG A 60 6.564 -6.157 -7.107 1.00 0.00 C ATOM 892 O ARG A 60 5.743 -5.264 -6.887 1.00 0.00 O ATOM 893 CB ARG A 60 8.909 -6.334 -6.185 1.00 0.00 C ATOM 894 CG ARG A 60 9.512 -7.718 -6.414 1.00 0.00 C ATOM 895 CD ARG A 60 10.407 -7.735 -7.652 1.00 0.00 C ATOM 896 NE ARG A 60 11.146 -8.992 -7.794 1.00 0.00 N ATOM 897 CZ ARG A 60 12.057 -9.212 -8.744 1.00 0.00 C ATOM 898 NH1 ARG A 60 12.231 -8.326 -9.719 1.00 0.00 N ATOM 899 NH2 ARG A 60 12.768 -10.332 -8.742 1.00 0.00 N ATOM 0 H ARG A 60 8.149 -3.839 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 60 8.337 -6.343 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.715 -5.621 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.304 -6.357 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.091 -8.014 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.713 -8.451 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.796 -7.574 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.113 -6.907 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 60 10.953 -9.741 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.668 -7.476 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.928 -8.496 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.619 -11.029 -8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.463 -10.496 -9.470 1.00 0.00 H new ATOM 913 N LYS A 61 6.249 -7.448 -7.158 1.00 0.00 N ATOM 914 CA LYS A 61 4.891 -7.955 -6.938 1.00 0.00 C ATOM 915 C LYS A 61 4.418 -7.682 -5.510 1.00 0.00 C ATOM 916 O LYS A 61 3.228 -7.773 -5.218 1.00 0.00 O ATOM 917 CB LYS A 61 4.874 -9.466 -7.189 1.00 0.00 C ATOM 918 CG LYS A 61 5.705 -10.242 -6.171 1.00 0.00 C ATOM 919 CD LYS A 61 5.887 -11.699 -6.563 1.00 0.00 C ATOM 920 CE LYS A 61 6.692 -12.456 -5.515 1.00 0.00 C ATOM 921 NZ LYS A 61 5.929 -12.656 -4.252 1.00 0.00 N ATOM 0 H LYS A 61 6.931 -8.180 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 61 4.219 -7.442 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.845 -9.823 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.253 -9.668 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.683 -9.771 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.222 -10.188 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.912 -12.170 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.393 -11.758 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.986 -13.426 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.610 -11.909 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.461 -13.289 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.787 -11.739 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.005 -13.080 -4.468 1.00 0.00 H new ATOM 935 N SER A 62 5.371 -7.375 -4.632 1.00 0.00 N ATOM 936 CA SER A 62 5.109 -7.114 -3.214 1.00 0.00 C ATOM 937 C SER A 62 3.825 -6.295 -2.988 1.00 0.00 C ATOM 938 O SER A 62 3.033 -6.615 -2.099 1.00 0.00 O ATOM 939 CB SER A 62 6.312 -6.378 -2.615 1.00 0.00 C ATOM 940 OG SER A 62 7.526 -6.997 -3.011 1.00 0.00 O ATOM 0 H SER A 62 6.356 -7.299 -4.885 1.00 0.00 H new ATOM 0 HA SER A 62 4.959 -8.074 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.306 -5.337 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.238 -6.374 -1.528 1.00 0.00 H new ATOM 0 HG SER A 62 8.283 -6.512 -2.620 1.00 0.00 H new ATOM 946 N PHE A 63 3.616 -5.261 -3.807 1.00 0.00 N ATOM 947 CA PHE A 63 2.449 -4.380 -3.665 1.00 0.00 C ATOM 948 C PHE A 63 1.132 -5.131 -3.869 1.00 0.00 C ATOM 949 O PHE A 63 0.117 -4.793 -3.263 1.00 0.00 O ATOM 950 CB PHE A 63 2.538 -3.197 -4.643 1.00 0.00 C ATOM 951 CG PHE A 63 3.335 -2.034 -4.112 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.717 -2.107 -4.009 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.698 -0.871 -3.701 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.443 -1.043 -3.513 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.422 0.194 -3.204 1.00 0.00 C ATOM 956 CZ PHE A 63 4.795 0.108 -3.109 1.00 0.00 C ATOM 0 H PHE A 63 4.238 -5.012 -4.576 1.00 0.00 H new ATOM 0 HA PHE A 63 2.459 -4.001 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.988 -3.540 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.530 -2.857 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.230 -3.005 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.623 -0.799 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.518 -1.110 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.914 1.094 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.363 0.940 -2.719 1.00 0.00 H new ATOM 966 N ALA A 64 1.156 -6.153 -4.717 1.00 0.00 N ATOM 967 CA ALA A 64 -0.035 -6.948 -5.008 1.00 0.00 C ATOM 968 C ALA A 64 -0.431 -7.819 -3.813 1.00 0.00 C ATOM 969 O ALA A 64 -1.493 -8.445 -3.818 1.00 0.00 O ATOM 970 CB ALA A 64 0.206 -7.813 -6.240 1.00 0.00 C ATOM 0 H ALA A 64 1.992 -6.453 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.860 -6.264 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.686 -8.403 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.429 -7.175 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.048 -8.481 -6.057 1.00 0.00 H new ATOM 976 N SER A 65 0.423 -7.847 -2.793 1.00 0.00 N ATOM 977 CA SER A 65 0.208 -8.680 -1.618 1.00 0.00 C ATOM 978 C SER A 65 0.548 -7.909 -0.338 1.00 0.00 C ATOM 979 O SER A 65 1.719 -7.784 0.030 1.00 0.00 O ATOM 980 CB SER A 65 1.070 -9.940 -1.732 1.00 0.00 C ATOM 981 OG SER A 65 2.425 -9.605 -1.993 1.00 0.00 O ATOM 0 H SER A 65 1.280 -7.294 -2.760 1.00 0.00 H new ATOM 0 HA SER A 65 -0.843 -8.964 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.005 -10.515 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.688 -10.576 -2.531 1.00 0.00 H new ATOM 0 HG SER A 65 2.550 -8.639 -1.884 1.00 0.00 H new ATOM 987 N ILE A 66 -0.480 -7.399 0.333 1.00 0.00 N ATOM 988 CA ILE A 66 -0.294 -6.574 1.529 1.00 0.00 C ATOM 989 C ILE A 66 0.528 -7.299 2.598 1.00 0.00 C ATOM 990 O ILE A 66 1.466 -6.730 3.155 1.00 0.00 O ATOM 991 CB ILE A 66 -1.654 -6.129 2.126 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.417 -5.258 1.114 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.450 -5.380 3.446 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.783 -4.802 1.587 1.00 0.00 C ATOM 0 H ILE A 66 -1.455 -7.541 0.070 1.00 0.00 H new ATOM 0 HA ILE A 66 0.258 -5.688 1.214 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.249 -7.018 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.814 -4.380 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.535 -5.818 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.418 -5.078 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.950 -6.033 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.837 -4.496 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.252 -4.194 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.406 -5.672 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.675 -4.212 2.497 1.00 0.00 H new ATOM 1006 N LYS A 67 0.185 -8.557 2.871 1.00 0.00 N ATOM 1007 CA LYS A 67 0.880 -9.330 3.906 1.00 0.00 C ATOM 1008 C LYS A 67 2.383 -9.434 3.618 1.00 0.00 C ATOM 1009 O LYS A 67 3.192 -9.527 4.540 1.00 0.00 O ATOM 1010 CB LYS A 67 0.280 -10.739 4.063 1.00 0.00 C ATOM 1011 CG LYS A 67 0.452 -11.654 2.846 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.696 -11.525 1.847 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.457 -12.379 0.607 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.687 -12.521 -0.214 1.00 0.00 N ATOM 0 H LYS A 67 -0.563 -9.062 2.396 1.00 0.00 H new ATOM 0 HA LYS A 67 0.742 -8.790 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.739 -11.219 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.784 -10.643 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.391 -11.416 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.522 -12.689 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.629 -11.826 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.810 -10.481 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.332 -11.930 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.106 -13.366 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.428 -12.800 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.301 -13.249 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.194 -11.613 -0.240 1.00 0.00 H new ATOM 1028 N ALA A 68 2.751 -9.411 2.340 1.00 0.00 N ATOM 1029 CA ALA A 68 4.152 -9.539 1.944 1.00 0.00 C ATOM 1030 C ALA A 68 4.877 -8.202 2.061 1.00 0.00 C ATOM 1031 O ALA A 68 6.002 -8.131 2.567 1.00 0.00 O ATOM 1032 CB ALA A 68 4.253 -10.077 0.523 1.00 0.00 C ATOM 0 H ALA A 68 2.101 -9.305 1.561 1.00 0.00 H new ATOM 0 HA ALA A 68 4.634 -10.245 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.302 -10.167 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.778 -11.057 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.751 -9.393 -0.162 1.00 0.00 H new ATOM 1038 N ILE A 69 4.226 -7.140 1.595 1.00 0.00 N ATOM 1039 CA ILE A 69 4.835 -5.815 1.596 1.00 0.00 C ATOM 1040 C ILE A 69 4.979 -5.286 3.027 1.00 0.00 C ATOM 1041 O ILE A 69 5.971 -4.629 3.353 1.00 0.00 O ATOM 1042 CB ILE A 69 4.036 -4.808 0.721 1.00 0.00 C ATOM 1043 CG1 ILE A 69 4.824 -3.499 0.540 1.00 0.00 C ATOM 1044 CG2 ILE A 69 2.660 -4.526 1.321 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.137 -2.494 -0.361 1.00 0.00 C ATOM 0 H ILE A 69 3.281 -7.171 1.213 1.00 0.00 H new ATOM 0 HA ILE A 69 5.828 -5.915 1.157 1.00 0.00 H new ATOM 0 HB ILE A 69 3.890 -5.262 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.987 -3.045 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.806 -3.731 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.125 -3.819 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.094 -5.455 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.778 -4.102 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.751 -1.597 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.998 -2.928 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.166 -2.232 0.060 1.00 0.00 H new ATOM 1057 N GLU A 70 4.002 -5.599 3.887 1.00 0.00 N ATOM 1058 CA GLU A 70 4.049 -5.171 5.286 1.00 0.00 C ATOM 1059 C GLU A 70 5.178 -5.901 6.007 1.00 0.00 C ATOM 1060 O GLU A 70 5.845 -5.341 6.876 1.00 0.00 O ATOM 1061 CB GLU A 70 2.689 -5.396 5.988 1.00 0.00 C ATOM 1062 CG GLU A 70 2.348 -6.852 6.336 1.00 0.00 C ATOM 1063 CD GLU A 70 2.852 -7.283 7.714 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.448 -6.663 8.719 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.646 -8.243 7.799 1.00 0.00 O ATOM 0 H GLU A 70 3.176 -6.143 3.639 1.00 0.00 H new ATOM 0 HA GLU A 70 4.249 -4.100 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.675 -4.810 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.901 -5.002 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.267 -6.983 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.777 -7.508 5.579 1.00 0.00 H new ATOM 1072 N ASP A 71 5.403 -7.149 5.609 1.00 0.00 N ATOM 1073 CA ASP A 71 6.472 -7.959 6.180 1.00 0.00 C ATOM 1074 C ASP A 71 7.828 -7.342 5.878 1.00 0.00 C ATOM 1075 O ASP A 71 8.674 -7.197 6.766 1.00 0.00 O ATOM 1076 CB ASP A 71 6.415 -9.393 5.639 1.00 0.00 C ATOM 1077 CG ASP A 71 7.574 -10.247 6.130 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.752 -10.363 7.362 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.303 -10.816 5.287 1.00 0.00 O ATOM 0 H ASP A 71 4.856 -7.623 4.890 1.00 0.00 H new ATOM 0 HA ASP A 71 6.333 -7.989 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.475 -9.855 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.423 -9.367 4.549 1.00 0.00 H new ATOM 1084 N THR A 72 8.006 -6.954 4.622 1.00 0.00 N ATOM 1085 CA THR A 72 9.273 -6.420 4.148 1.00 0.00 C ATOM 1086 C THR A 72 9.537 -5.017 4.706 1.00 0.00 C ATOM 1087 O THR A 72 10.669 -4.694 5.077 1.00 0.00 O ATOM 1088 CB THR A 72 9.303 -6.397 2.603 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.974 -7.704 2.104 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.677 -5.981 2.078 1.00 0.00 C ATOM 0 H THR A 72 7.280 -7.001 3.908 1.00 0.00 H new ATOM 0 HA THR A 72 10.065 -7.076 4.509 1.00 0.00 H new ATOM 0 HB THR A 72 8.573 -5.665 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.019 -7.875 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.664 -5.975 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.919 -4.983 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.429 -6.688 2.428 1.00 0.00 H new ATOM 1098 N VAL A 73 8.495 -4.188 4.789 1.00 0.00 N ATOM 1099 CA VAL A 73 8.659 -2.820 5.278 1.00 0.00 C ATOM 1100 C VAL A 73 9.062 -2.817 6.757 1.00 0.00 C ATOM 1101 O VAL A 73 9.767 -1.914 7.210 1.00 0.00 O ATOM 1102 CB VAL A 73 7.388 -1.951 5.057 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.207 -2.473 5.864 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.667 -0.484 5.387 1.00 0.00 C ATOM 0 H VAL A 73 7.541 -4.436 4.528 1.00 0.00 H new ATOM 0 HA VAL A 73 9.460 -2.369 4.691 1.00 0.00 H new ATOM 0 HB VAL A 73 7.122 -2.020 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.337 -1.842 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.982 -3.495 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.456 -2.456 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.763 0.104 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.974 -0.398 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.463 -0.111 4.742 1.00 0.00 H new ATOM 1114 N LYS A 74 8.632 -3.839 7.504 1.00 0.00 N ATOM 1115 CA LYS A 74 9.050 -3.998 8.900 1.00 0.00 C ATOM 1116 C LYS A 74 10.572 -3.999 9.001 1.00 0.00 C ATOM 1117 O LYS A 74 11.155 -3.359 9.881 1.00 0.00 O ATOM 1118 CB LYS A 74 8.508 -5.304 9.501 1.00 0.00 C ATOM 1119 CG LYS A 74 7.005 -5.312 9.741 1.00 0.00 C ATOM 1120 CD LYS A 74 6.565 -6.524 10.567 1.00 0.00 C ATOM 1121 CE LYS A 74 6.526 -7.824 9.763 1.00 0.00 C ATOM 1122 NZ LYS A 74 7.873 -8.276 9.309 1.00 0.00 N ATOM 0 H LYS A 74 7.999 -4.564 7.168 1.00 0.00 H new ATOM 0 HA LYS A 74 8.642 -3.157 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.761 -6.128 8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.015 -5.492 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.715 -4.397 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.484 -5.317 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.246 -6.647 11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.575 -6.332 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.074 -8.607 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.884 -7.686 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.892 -9.315 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.073 -7.880 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.594 -7.949 9.983 1.00 0.00 H new ATOM 1136 N LEU A 75 11.198 -4.727 8.087 1.00 0.00 N ATOM 1137 CA LEU A 75 12.653 -4.848 8.041 1.00 0.00 C ATOM 1138 C LEU A 75 13.313 -3.486 7.831 1.00 0.00 C ATOM 1139 O LEU A 75 14.422 -3.243 8.313 1.00 0.00 O ATOM 1140 CB LEU A 75 13.066 -5.818 6.928 1.00 0.00 C ATOM 1141 CG LEU A 75 12.467 -7.229 7.042 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.950 -8.114 5.898 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.809 -7.853 8.395 1.00 0.00 C ATOM 0 H LEU A 75 10.715 -5.250 7.357 1.00 0.00 H new ATOM 0 HA LEU A 75 12.992 -5.241 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.774 -5.392 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.153 -5.900 6.923 1.00 0.00 H new ATOM 0 HG LEU A 75 11.382 -7.147 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.514 -9.108 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.645 -7.678 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.037 -8.190 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.376 -8.851 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.892 -7.920 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.404 -7.233 9.195 1.00 0.00 H new ATOM 1155 N ILE A 76 12.625 -2.595 7.118 1.00 0.00 N ATOM 1156 CA ILE A 76 13.130 -1.242 6.898 1.00 0.00 C ATOM 1157 C ILE A 76 13.230 -0.501 8.228 1.00 0.00 C ATOM 1158 O ILE A 76 14.206 0.187 8.498 1.00 0.00 O ATOM 1159 CB ILE A 76 12.229 -0.434 5.929 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.074 -1.176 4.590 1.00 0.00 C ATOM 1161 CG2 ILE A 76 12.799 0.969 5.704 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.143 -0.483 3.615 1.00 0.00 C ATOM 0 H ILE A 76 11.721 -2.785 6.685 1.00 0.00 H new ATOM 0 HA ILE A 76 14.116 -1.334 6.443 1.00 0.00 H new ATOM 0 HB ILE A 76 11.243 -0.333 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.055 -1.283 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.701 -2.182 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.152 1.519 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.854 1.496 6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.798 0.891 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.083 -1.063 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.150 -0.400 4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.526 0.513 3.392 1.00 0.00 H new ATOM 1174 N LEU A 77 12.212 -0.669 9.065 1.00 0.00 N ATOM 1175 CA LEU A 77 12.197 -0.058 10.393 1.00 0.00 C ATOM 1176 C LEU A 77 13.265 -0.688 11.287 1.00 0.00 C ATOM 1177 O LEU A 77 13.781 -0.047 12.202 1.00 0.00 O ATOM 1178 CB LEU A 77 10.807 -0.189 11.048 1.00 0.00 C ATOM 1179 CG LEU A 77 9.715 0.761 10.517 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.105 2.217 10.756 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.435 0.514 9.038 1.00 0.00 C ATOM 0 H LEU A 77 11.384 -1.224 8.849 1.00 0.00 H new ATOM 0 HA LEU A 77 12.420 1.002 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.462 -1.215 10.919 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.916 -0.022 12.120 1.00 0.00 H new ATOM 0 HG LEU A 77 8.798 0.554 11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.321 2.871 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.232 2.389 11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.041 2.432 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.661 1.200 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.346 0.678 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.098 -0.513 8.898 1.00 0.00 H new ATOM 1193 N ASP A 78 13.580 -1.949 11.019 1.00 0.00 N ATOM 1194 CA ASP A 78 14.601 -2.673 11.776 1.00 0.00 C ATOM 1195 C ASP A 78 16.001 -2.155 11.439 1.00 0.00 C ATOM 1196 O ASP A 78 16.938 -2.303 12.228 1.00 0.00 O ATOM 1197 CB ASP A 78 14.493 -4.180 11.490 1.00 0.00 C ATOM 1198 CG ASP A 78 15.588 -5.001 12.157 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.540 -5.177 13.395 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.488 -5.495 11.443 1.00 0.00 O ATOM 0 H ASP A 78 13.142 -2.497 10.279 1.00 0.00 H new ATOM 0 HA ASP A 78 14.432 -2.504 12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.522 -4.538 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.533 -4.342 10.413 1.00 0.00 H new ATOM 1205 N GLY A 79 16.133 -1.536 10.271 1.00 0.00 N ATOM 1206 CA GLY A 79 17.407 -0.979 9.851 1.00 0.00 C ATOM 1207 C GLY A 79 17.231 0.078 8.781 1.00 0.00 C ATOM 1208 O GLY A 79 17.584 -0.143 7.621 1.00 0.00 O ATOM 0 H GLY A 79 15.374 -1.409 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.916 -0.544 10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.046 -1.777 9.473 1.00 0.00 H new