USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -89:sc= 1.03 USER MOD Set 1.2: A 62 ASN : amide:sc= -1.62 K(o=-0.58,f=-10!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.702) USER MOD Set 2.2: A 82 ASN : amide:sc= -3.25! C(o=-3.2!,f=-6!) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 7 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 3.3: A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 9 SER OG : rot -9:sc= 0.809 USER MOD Single : A 10 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.8!) USER MOD Single : A 12 ASN : amide:sc= -1.41! X(o=-1.4!,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 1:sc= 0.504! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -170:sc= -1.66! USER MOD Single : A 40 SER OG : rot -57:sc= 1.13 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -134:sc= -2.96! (180deg=-8.05!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= -0.0772 (180deg=-0.0776) USER MOD Single : A 53 SER OG : rot -74:sc= 0.412 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -26:sc= 0.261! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.186! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.116 X(o=0.12,f=-0.14) USER MOD Single : A 80 THR OG1 : rot 94:sc= 0.648 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0193) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.640 -12.082 -7.560 1.00 0.00 N ATOM 9 CA PRO A 0 -10.129 -11.385 -6.382 1.00 0.00 C ATOM 10 C PRO A 0 -11.088 -10.258 -6.770 1.00 0.00 C ATOM 11 O PRO A 0 -11.626 -10.250 -7.876 1.00 0.00 O ATOM 12 CB PRO A 0 -8.880 -10.885 -5.674 1.00 0.00 C ATOM 13 CG PRO A 0 -7.772 -10.914 -6.714 1.00 0.00 C ATOM 14 CD PRO A 0 -8.260 -11.740 -7.893 1.00 0.00 C ATOM 0 H2 PRO A 0 -10.241 -11.860 -8.354 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.708 -13.088 -7.406 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.713 -12.029 -5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -9.027 -9.876 -5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.633 -11.519 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.522 -9.902 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.865 -11.348 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -8.206 -11.174 -8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.652 -12.634 -8.029 1.00 0.00 H new ATOM 22 N MET A 1 -11.273 -9.335 -5.838 1.00 0.00 N ATOM 23 CA MET A 1 -12.158 -8.206 -6.069 1.00 0.00 C ATOM 24 C MET A 1 -11.520 -7.195 -7.024 1.00 0.00 C ATOM 25 O MET A 1 -12.215 -6.558 -7.814 1.00 0.00 O ATOM 26 CB MET A 1 -12.472 -7.522 -4.736 1.00 0.00 C ATOM 27 CG MET A 1 -12.842 -6.053 -4.948 1.00 0.00 C ATOM 28 SD MET A 1 -14.128 -5.577 -3.806 1.00 0.00 S ATOM 29 CE MET A 1 -14.960 -4.332 -4.777 1.00 0.00 C ATOM 0 H MET A 1 -10.825 -9.346 -4.922 1.00 0.00 H new ATOM 0 HA MET A 1 -13.077 -8.576 -6.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.294 -8.040 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.608 -7.591 -4.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.964 -5.424 -4.803 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.179 -5.898 -5.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.797 -3.926 -4.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.261 -3.530 -5.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.331 -4.778 -5.700 1.00 0.00 H new ATOM 39 N GLU A 2 -10.204 -7.080 -6.920 1.00 0.00 N ATOM 40 CA GLU A 2 -9.465 -6.158 -7.765 1.00 0.00 C ATOM 41 C GLU A 2 -9.963 -4.727 -7.551 1.00 0.00 C ATOM 42 O GLU A 2 -11.057 -4.375 -7.990 1.00 0.00 O ATOM 43 CB GLU A 2 -9.567 -6.560 -9.237 1.00 0.00 C ATOM 44 CG GLU A 2 -9.049 -7.983 -9.454 1.00 0.00 C ATOM 45 CD GLU A 2 -10.094 -8.845 -10.166 1.00 0.00 C ATOM 46 OE1 GLU A 2 -11.292 -8.646 -9.869 1.00 0.00 O ATOM 47 OE2 GLU A 2 -9.672 -9.683 -10.992 1.00 0.00 O ATOM 0 H GLU A 2 -9.631 -7.610 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.413 -6.202 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.604 -6.493 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.994 -5.863 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.133 -7.954 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.795 -8.432 -8.494 1.00 0.00 H new ATOM 54 N PHE A 3 -9.137 -3.940 -6.878 1.00 0.00 N ATOM 55 CA PHE A 3 -9.479 -2.556 -6.601 1.00 0.00 C ATOM 56 C PHE A 3 -8.613 -1.601 -7.425 1.00 0.00 C ATOM 57 O PHE A 3 -7.387 -1.698 -7.407 1.00 0.00 O ATOM 58 CB PHE A 3 -9.209 -2.317 -5.115 1.00 0.00 C ATOM 59 CG PHE A 3 -10.077 -3.162 -4.180 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.702 -4.431 -3.866 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.223 -2.644 -3.663 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.508 -5.215 -2.999 1.00 0.00 C ATOM 63 CE2 PHE A 3 -12.029 -3.428 -2.796 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.654 -4.697 -2.482 1.00 0.00 C ATOM 0 H PHE A 3 -8.230 -4.235 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.522 -2.372 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.160 -2.528 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.373 -1.263 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.791 -4.842 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.520 -1.636 -3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.211 -6.223 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.940 -3.017 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.266 -5.293 -1.822 1.00 0.00 H new ATOM 74 N THR A 4 -9.285 -0.701 -8.128 1.00 0.00 N ATOM 75 CA THR A 4 -8.592 0.270 -8.957 1.00 0.00 C ATOM 76 C THR A 4 -8.043 1.410 -8.097 1.00 0.00 C ATOM 77 O THR A 4 -8.460 1.586 -6.954 1.00 0.00 O ATOM 78 CB THR A 4 -9.560 0.740 -10.044 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.527 1.512 -9.338 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.369 -0.410 -10.646 1.00 0.00 C ATOM 0 H THR A 4 -10.302 -0.624 -8.140 1.00 0.00 H new ATOM 0 HA THR A 4 -7.724 -0.174 -9.445 1.00 0.00 H new ATOM 0 HB THR A 4 -9.001 1.243 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.193 1.858 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.040 -0.021 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.691 -1.137 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.954 -0.893 -9.863 1.00 0.00 H new ATOM 88 N ALA A 5 -7.116 2.156 -8.681 1.00 0.00 N ATOM 89 CA ALA A 5 -6.506 3.274 -7.983 1.00 0.00 C ATOM 90 C ALA A 5 -7.603 4.206 -7.464 1.00 0.00 C ATOM 91 O ALA A 5 -7.436 4.855 -6.433 1.00 0.00 O ATOM 92 CB ALA A 5 -5.529 3.989 -8.918 1.00 0.00 C ATOM 0 H ALA A 5 -6.773 2.007 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.936 2.923 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.072 4.828 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.753 3.292 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.066 4.357 -9.793 1.00 0.00 H new ATOM 98 N GLU A 6 -8.702 4.243 -8.204 1.00 0.00 N ATOM 99 CA GLU A 6 -9.827 5.084 -7.832 1.00 0.00 C ATOM 100 C GLU A 6 -10.524 4.520 -6.592 1.00 0.00 C ATOM 101 O GLU A 6 -10.819 5.257 -5.652 1.00 0.00 O ATOM 102 CB GLU A 6 -10.810 5.232 -8.995 1.00 0.00 C ATOM 103 CG GLU A 6 -11.034 6.705 -9.339 1.00 0.00 C ATOM 104 CD GLU A 6 -11.958 6.850 -10.550 1.00 0.00 C ATOM 105 OE1 GLU A 6 -13.108 6.371 -10.448 1.00 0.00 O ATOM 106 OE2 GLU A 6 -11.494 7.437 -11.552 1.00 0.00 O ATOM 0 H GLU A 6 -8.837 3.704 -9.059 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.449 6.078 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.427 4.705 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.761 4.767 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.468 7.221 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.077 7.183 -9.548 1.00 0.00 H new ATOM 113 N GLN A 7 -10.769 3.219 -6.631 1.00 0.00 N ATOM 114 CA GLN A 7 -11.426 2.548 -5.522 1.00 0.00 C ATOM 115 C GLN A 7 -10.472 2.429 -4.332 1.00 0.00 C ATOM 116 O GLN A 7 -10.900 2.487 -3.181 1.00 0.00 O ATOM 117 CB GLN A 7 -11.949 1.173 -5.945 1.00 0.00 C ATOM 118 CG GLN A 7 -13.476 1.119 -5.867 1.00 0.00 C ATOM 119 CD GLN A 7 -13.957 -0.292 -5.524 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.310 -1.284 -5.815 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.127 -0.326 -4.891 1.00 0.00 N ATOM 0 H GLN A 7 -10.525 2.611 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.283 3.148 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.625 0.954 -6.963 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.521 0.404 -5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.830 1.821 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.904 1.432 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.617 0.543 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.534 -1.221 -4.619 1.00 0.00 H new ATOM 130 N LEU A 8 -9.197 2.265 -4.651 1.00 0.00 N ATOM 131 CA LEU A 8 -8.178 2.137 -3.623 1.00 0.00 C ATOM 132 C LEU A 8 -7.868 3.519 -3.045 1.00 0.00 C ATOM 133 O LEU A 8 -7.393 3.631 -1.916 1.00 0.00 O ATOM 134 CB LEU A 8 -6.949 1.411 -4.173 1.00 0.00 C ATOM 135 CG LEU A 8 -5.712 1.410 -3.273 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.634 0.124 -2.449 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.440 1.645 -4.090 1.00 0.00 C ATOM 0 H LEU A 8 -8.846 2.218 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.542 1.520 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.225 0.377 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.680 1.865 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.801 2.238 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.745 0.149 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.522 0.039 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.579 -0.734 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.575 1.640 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.333 0.854 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.504 2.609 -4.594 1.00 0.00 H new ATOM 149 N SER A 9 -8.149 4.537 -3.845 1.00 0.00 N ATOM 150 CA SER A 9 -7.906 5.907 -3.426 1.00 0.00 C ATOM 151 C SER A 9 -9.042 6.387 -2.521 1.00 0.00 C ATOM 152 O SER A 9 -8.995 7.499 -1.997 1.00 0.00 O ATOM 153 CB SER A 9 -7.762 6.835 -4.635 1.00 0.00 C ATOM 154 OG SER A 9 -7.762 8.209 -4.256 1.00 0.00 O ATOM 0 H SER A 9 -8.543 4.441 -4.781 1.00 0.00 H new ATOM 0 HA SER A 9 -6.970 5.933 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.836 6.604 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.579 6.651 -5.333 1.00 0.00 H new ATOM 0 HG SER A 9 -7.995 8.287 -3.307 1.00 0.00 H new ATOM 160 N GLN A 10 -10.036 5.525 -2.364 1.00 0.00 N ATOM 161 CA GLN A 10 -11.182 5.848 -1.531 1.00 0.00 C ATOM 162 C GLN A 10 -11.211 4.944 -0.297 1.00 0.00 C ATOM 163 O GLN A 10 -12.271 4.715 0.284 1.00 0.00 O ATOM 164 CB GLN A 10 -12.485 5.735 -2.324 1.00 0.00 C ATOM 165 CG GLN A 10 -12.530 4.431 -3.124 1.00 0.00 C ATOM 166 CD GLN A 10 -13.832 4.321 -3.920 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.920 4.714 -5.072 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.833 3.765 -3.245 1.00 0.00 N ATOM 0 H GLN A 10 -10.071 4.603 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.086 6.882 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.334 5.777 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.578 6.584 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.679 4.388 -3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.441 3.581 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.691 3.458 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.743 3.645 -3.689 1.00 0.00 H new ATOM 177 N TYR A 11 -10.035 4.456 0.068 1.00 0.00 N ATOM 178 CA TYR A 11 -9.913 3.583 1.223 1.00 0.00 C ATOM 179 C TYR A 11 -8.626 3.875 1.998 1.00 0.00 C ATOM 180 O TYR A 11 -7.847 2.966 2.280 1.00 0.00 O ATOM 181 CB TYR A 11 -9.848 2.158 0.670 1.00 0.00 C ATOM 182 CG TYR A 11 -11.141 1.692 -0.002 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.351 1.852 0.643 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.098 1.111 -1.253 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.568 1.414 0.011 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.316 0.672 -1.885 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.490 0.845 -1.222 1.00 0.00 C ATOM 188 OH TYR A 11 -14.640 0.431 -1.819 1.00 0.00 O ATOM 0 H TYR A 11 -9.158 4.649 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.751 3.730 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.033 2.096 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.607 1.474 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.385 2.306 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.152 0.985 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.521 1.534 0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.297 0.216 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.384 0.995 -1.522 1.00 0.00 H new ATOM 198 N ASN A 12 -8.444 5.147 2.320 1.00 0.00 N ATOM 199 CA ASN A 12 -7.265 5.571 3.057 1.00 0.00 C ATOM 200 C ASN A 12 -7.672 5.968 4.477 1.00 0.00 C ATOM 201 O ASN A 12 -6.909 6.623 5.185 1.00 0.00 O ATOM 202 CB ASN A 12 -6.609 6.785 2.396 1.00 0.00 C ATOM 203 CG ASN A 12 -7.423 8.055 2.653 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.259 8.458 1.861 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.132 8.661 3.801 1.00 0.00 N ATOM 0 H ASN A 12 -9.093 5.898 2.084 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.558 4.741 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.598 6.912 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.521 6.616 1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.620 9.517 4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.421 8.270 4.418 1.00 0.00 H new ATOM 212 N GLY A 13 -8.874 5.555 4.851 1.00 0.00 N ATOM 213 CA GLY A 13 -9.392 5.859 6.174 1.00 0.00 C ATOM 214 C GLY A 13 -9.647 7.359 6.331 1.00 0.00 C ATOM 215 O GLY A 13 -8.713 8.134 6.532 1.00 0.00 O ATOM 0 H GLY A 13 -9.504 5.012 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.318 5.310 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.683 5.526 6.932 1.00 0.00 H new ATOM 219 N THR A 14 -10.917 7.725 6.234 1.00 0.00 N ATOM 220 CA THR A 14 -11.307 9.118 6.363 1.00 0.00 C ATOM 221 C THR A 14 -12.817 9.269 6.173 1.00 0.00 C ATOM 222 O THR A 14 -13.479 9.957 6.950 1.00 0.00 O ATOM 223 CB THR A 14 -10.484 9.934 5.363 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.093 11.091 6.098 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.336 10.489 4.219 1.00 0.00 C ATOM 0 H THR A 14 -11.689 7.080 6.067 1.00 0.00 H new ATOM 0 HA THR A 14 -11.098 9.496 7.364 1.00 0.00 H new ATOM 0 HB THR A 14 -9.688 9.312 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.553 11.675 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.704 11.060 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.800 9.664 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.111 11.139 4.625 1.00 0.00 H new ATOM 293 N PRO A 19 -13.216 1.322 4.334 1.00 0.00 N ATOM 294 CA PRO A 19 -12.127 0.478 4.795 1.00 0.00 C ATOM 295 C PRO A 19 -10.777 1.010 4.310 1.00 0.00 C ATOM 296 O PRO A 19 -10.709 1.710 3.301 1.00 0.00 O ATOM 297 CB PRO A 19 -12.448 -0.907 4.257 1.00 0.00 C ATOM 298 CG PRO A 19 -13.448 -0.696 3.133 1.00 0.00 C ATOM 299 CD PRO A 19 -13.975 0.726 3.238 1.00 0.00 C ATOM 0 HA PRO A 19 -12.041 0.459 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.548 -1.402 3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.866 -1.542 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.974 -0.857 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.266 -1.413 3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.824 1.274 2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.045 0.738 3.445 1.00 0.00 H new ATOM 307 N ILE A 20 -9.738 0.658 5.052 1.00 0.00 N ATOM 308 CA ILE A 20 -8.394 1.092 4.710 1.00 0.00 C ATOM 309 C ILE A 20 -7.716 0.016 3.859 1.00 0.00 C ATOM 310 O ILE A 20 -7.517 -1.108 4.317 1.00 0.00 O ATOM 311 CB ILE A 20 -7.612 1.460 5.973 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.432 2.384 6.876 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.252 2.065 5.619 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.777 1.695 8.197 1.00 0.00 C ATOM 0 H ILE A 20 -9.799 0.077 5.888 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.429 2.000 4.108 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.422 0.546 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.870 3.297 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.349 2.678 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.717 2.318 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.670 1.343 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.399 2.966 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.360 2.374 8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.359 0.796 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.858 1.424 8.717 1.00 0.00 H new ATOM 326 N TYR A 21 -7.380 0.399 2.636 1.00 0.00 N ATOM 327 CA TYR A 21 -6.729 -0.519 1.718 1.00 0.00 C ATOM 328 C TYR A 21 -5.472 0.109 1.113 1.00 0.00 C ATOM 329 O TYR A 21 -5.520 1.221 0.589 1.00 0.00 O ATOM 330 CB TYR A 21 -7.739 -0.786 0.600 1.00 0.00 C ATOM 331 CG TYR A 21 -8.928 -1.648 1.029 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.815 -2.486 2.120 1.00 0.00 C ATOM 333 CD2 TYR A 21 -10.114 -1.587 0.326 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.934 -3.297 2.523 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.233 -2.398 0.729 1.00 0.00 C ATOM 336 CZ TYR A 21 -11.088 -3.213 1.808 1.00 0.00 C ATOM 337 OH TYR A 21 -12.145 -3.979 2.189 1.00 0.00 O ATOM 0 H TYR A 21 -7.546 1.332 2.260 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.428 -1.430 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.111 0.167 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.228 -1.277 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.887 -2.533 2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.203 -0.930 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.859 -3.957 3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.166 -2.360 0.187 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.901 -3.815 1.588 1.00 0.00 H new ATOM 347 N VAL A 22 -4.376 -0.629 1.205 1.00 0.00 N ATOM 348 CA VAL A 22 -3.108 -0.158 0.674 1.00 0.00 C ATOM 349 C VAL A 22 -2.774 -0.935 -0.601 1.00 0.00 C ATOM 350 O VAL A 22 -3.515 -1.833 -0.997 1.00 0.00 O ATOM 351 CB VAL A 22 -2.019 -0.267 1.743 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.747 0.460 1.306 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.518 0.262 3.089 1.00 0.00 C ATOM 0 H VAL A 22 -4.340 -1.551 1.640 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.175 0.896 0.405 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.775 -1.322 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.011 0.367 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.375 0.018 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.969 1.514 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.725 0.173 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.803 1.309 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.383 -0.319 3.410 1.00 0.00 H new ATOM 363 N ALA A 23 -1.658 -0.561 -1.209 1.00 0.00 N ATOM 364 CA ALA A 23 -1.216 -1.212 -2.430 1.00 0.00 C ATOM 365 C ALA A 23 0.296 -1.437 -2.366 1.00 0.00 C ATOM 366 O ALA A 23 1.044 -0.545 -1.970 1.00 0.00 O ATOM 367 CB ALA A 23 -1.628 -0.366 -3.637 1.00 0.00 C ATOM 0 H ALA A 23 -1.046 0.185 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.690 -2.188 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.297 -0.854 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.713 -0.260 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.169 0.620 -3.564 1.00 0.00 H new ATOM 373 N ILE A 24 0.700 -2.636 -2.760 1.00 0.00 N ATOM 374 CA ILE A 24 2.109 -2.990 -2.751 1.00 0.00 C ATOM 375 C ILE A 24 2.396 -3.953 -3.905 1.00 0.00 C ATOM 376 O ILE A 24 1.973 -5.108 -3.874 1.00 0.00 O ATOM 377 CB ILE A 24 2.517 -3.534 -1.380 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.546 -2.419 -0.334 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.851 -4.280 -1.461 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.243 -2.885 0.946 1.00 0.00 C ATOM 0 H ILE A 24 0.077 -3.374 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 24 2.725 -2.105 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 24 1.764 -4.255 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.064 -1.550 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.528 -2.105 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.118 -4.656 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.759 -5.115 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.627 -3.600 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.250 -2.073 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.708 -3.739 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.268 -3.175 0.717 1.00 0.00 H new ATOM 392 N LYS A 25 3.111 -3.443 -4.896 1.00 0.00 N ATOM 393 CA LYS A 25 3.458 -4.243 -6.058 1.00 0.00 C ATOM 394 C LYS A 25 2.210 -4.456 -6.917 1.00 0.00 C ATOM 395 O LYS A 25 2.202 -5.307 -7.805 1.00 0.00 O ATOM 396 CB LYS A 25 4.139 -5.544 -5.628 1.00 0.00 C ATOM 397 CG LYS A 25 5.113 -5.298 -4.475 1.00 0.00 C ATOM 398 CD LYS A 25 6.523 -5.015 -4.998 1.00 0.00 C ATOM 399 CE LYS A 25 7.134 -6.267 -5.631 1.00 0.00 C ATOM 400 NZ LYS A 25 8.037 -5.897 -6.744 1.00 0.00 N ATOM 0 H LYS A 25 3.460 -2.485 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 25 4.186 -3.719 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.385 -6.270 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.673 -5.976 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.768 -4.455 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.133 -6.168 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.488 -4.211 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.156 -4.671 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.686 -6.830 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.342 -6.919 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.722 -6.663 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.479 -5.744 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.546 -5.023 -6.502 1.00 0.00 H new ATOM 414 N GLY A 26 1.187 -3.669 -6.622 1.00 0.00 N ATOM 415 CA GLY A 26 -0.064 -3.761 -7.356 1.00 0.00 C ATOM 416 C GLY A 26 -1.067 -4.652 -6.621 1.00 0.00 C ATOM 417 O GLY A 26 -2.123 -4.980 -7.160 1.00 0.00 O ATOM 0 H GLY A 26 1.198 -2.964 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.486 -2.765 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.123 -4.163 -8.352 1.00 0.00 H new ATOM 421 N ARG A 27 -0.702 -5.019 -5.402 1.00 0.00 N ATOM 422 CA ARG A 27 -1.556 -5.865 -4.587 1.00 0.00 C ATOM 423 C ARG A 27 -2.187 -5.051 -3.456 1.00 0.00 C ATOM 424 O ARG A 27 -1.487 -4.356 -2.722 1.00 0.00 O ATOM 425 CB ARG A 27 -0.767 -7.031 -3.988 1.00 0.00 C ATOM 426 CG ARG A 27 -1.676 -8.234 -3.729 1.00 0.00 C ATOM 427 CD ARG A 27 -0.971 -9.278 -2.862 1.00 0.00 C ATOM 428 NE ARG A 27 -0.558 -10.431 -3.693 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.120 -11.596 -3.197 1.00 0.00 C ATOM 430 NH1 ARG A 27 -0.036 -11.771 -1.871 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.233 -12.588 -4.027 1.00 0.00 N ATOM 0 H ARG A 27 0.175 -4.745 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.339 -6.264 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.036 -7.317 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.299 -6.717 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.590 -7.904 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.970 -8.683 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.099 -8.835 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.637 -9.612 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.610 -10.333 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.306 -11.017 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.297 -12.658 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.168 -12.456 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.566 -13.475 -3.649 1.00 0.00 H new ATOM 445 N VAL A 28 -3.503 -5.165 -3.351 1.00 0.00 N ATOM 446 CA VAL A 28 -4.237 -4.448 -2.322 1.00 0.00 C ATOM 447 C VAL A 28 -4.205 -5.255 -1.023 1.00 0.00 C ATOM 448 O VAL A 28 -4.645 -6.403 -0.990 1.00 0.00 O ATOM 449 CB VAL A 28 -5.657 -4.148 -2.805 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.586 -3.850 -1.625 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.663 -2.995 -3.811 1.00 0.00 C ATOM 0 H VAL A 28 -4.080 -5.743 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.768 -3.486 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.032 -5.037 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.589 -3.640 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.618 -4.713 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.213 -2.984 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.685 -2.803 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.258 -2.099 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.050 -3.261 -4.672 1.00 0.00 H new ATOM 461 N PHE A 29 -3.679 -4.623 0.016 1.00 0.00 N ATOM 462 CA PHE A 29 -3.584 -5.268 1.315 1.00 0.00 C ATOM 463 C PHE A 29 -4.463 -4.557 2.346 1.00 0.00 C ATOM 464 O PHE A 29 -4.849 -3.406 2.150 1.00 0.00 O ATOM 465 CB PHE A 29 -2.122 -5.172 1.756 1.00 0.00 C ATOM 466 CG PHE A 29 -1.184 -6.125 1.013 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.332 -7.470 1.152 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.202 -5.628 0.213 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.461 -8.355 0.462 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.668 -6.513 -0.476 1.00 0.00 C ATOM 471 CZ PHE A 29 0.521 -7.857 -0.337 1.00 0.00 C ATOM 0 H PHE A 29 -3.314 -3.671 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.920 -6.302 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.775 -4.149 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.061 -5.378 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.111 -7.865 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.084 -4.560 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.578 -9.423 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.447 -6.118 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.184 -8.530 -0.861 1.00 0.00 H new ATOM 481 N ASP A 30 -4.753 -5.273 3.422 1.00 0.00 N ATOM 482 CA ASP A 30 -5.580 -4.726 4.484 1.00 0.00 C ATOM 483 C ASP A 30 -4.691 -4.338 5.668 1.00 0.00 C ATOM 484 O ASP A 30 -3.905 -5.151 6.151 1.00 0.00 O ATOM 485 CB ASP A 30 -6.599 -5.755 4.976 1.00 0.00 C ATOM 486 CG ASP A 30 -6.964 -5.647 6.458 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.020 -5.520 7.267 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.179 -5.694 6.748 1.00 0.00 O ATOM 0 H ASP A 30 -4.430 -6.227 3.581 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.107 -3.859 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.509 -5.654 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.205 -6.753 4.786 1.00 0.00 H new ATOM 493 N VAL A 31 -4.845 -3.095 6.101 1.00 0.00 N ATOM 494 CA VAL A 31 -4.066 -2.590 7.218 1.00 0.00 C ATOM 495 C VAL A 31 -5.010 -1.985 8.260 1.00 0.00 C ATOM 496 O VAL A 31 -4.561 -1.418 9.255 1.00 0.00 O ATOM 497 CB VAL A 31 -3.014 -1.598 6.717 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.174 -2.211 5.595 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.666 -0.291 6.263 1.00 0.00 C ATOM 0 H VAL A 31 -5.498 -2.423 5.698 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.523 -3.401 7.703 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.347 -1.368 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.434 -1.486 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.666 -3.102 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.822 -2.483 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.897 0.397 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.367 -0.496 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.200 0.159 7.100 1.00 0.00 H new ATOM 509 N THR A 32 -6.300 -2.127 7.996 1.00 0.00 N ATOM 510 CA THR A 32 -7.311 -1.602 8.898 1.00 0.00 C ATOM 511 C THR A 32 -7.052 -2.083 10.327 1.00 0.00 C ATOM 512 O THR A 32 -7.484 -1.447 11.288 1.00 0.00 O ATOM 513 CB THR A 32 -8.684 -2.010 8.359 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.434 -2.329 9.528 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.638 -3.323 7.575 1.00 0.00 C ATOM 0 H THR A 32 -6.669 -2.598 7.170 1.00 0.00 H new ATOM 0 HA THR A 32 -7.274 -0.514 8.943 1.00 0.00 H new ATOM 0 HB THR A 32 -9.073 -1.219 7.718 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.339 -2.603 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.637 -3.567 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.962 -3.217 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.281 -4.122 8.225 1.00 0.00 H new ATOM 523 N THR A 33 -6.347 -3.201 10.423 1.00 0.00 N ATOM 524 CA THR A 33 -6.026 -3.774 11.718 1.00 0.00 C ATOM 525 C THR A 33 -5.322 -2.740 12.599 1.00 0.00 C ATOM 526 O THR A 33 -5.132 -2.963 13.794 1.00 0.00 O ATOM 527 CB THR A 33 -5.195 -5.037 11.483 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.680 -5.359 12.773 1.00 0.00 O ATOM 529 CG2 THR A 33 -3.947 -4.769 10.640 1.00 0.00 C ATOM 0 H THR A 33 -5.989 -3.725 9.624 1.00 0.00 H new ATOM 0 HA THR A 33 -6.929 -4.057 12.260 1.00 0.00 H new ATOM 0 HB THR A 33 -5.811 -5.790 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.011 -4.710 13.429 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.394 -5.698 10.504 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.243 -4.376 9.667 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.314 -4.041 11.148 1.00 0.00 H new ATOM 537 N GLY A 34 -4.955 -1.630 11.976 1.00 0.00 N ATOM 538 CA GLY A 34 -4.277 -0.560 12.688 1.00 0.00 C ATOM 539 C GLY A 34 -4.551 0.795 12.032 1.00 0.00 C ATOM 540 O GLY A 34 -3.627 1.573 11.797 1.00 0.00 O ATOM 0 H GLY A 34 -5.114 -1.448 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.611 -0.540 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.204 -0.751 12.702 1.00 0.00 H new ATOM 544 N LYS A 35 -5.824 1.036 11.756 1.00 0.00 N ATOM 545 CA LYS A 35 -6.231 2.284 11.132 1.00 0.00 C ATOM 546 C LYS A 35 -5.608 3.456 11.893 1.00 0.00 C ATOM 547 O LYS A 35 -5.432 4.539 11.336 1.00 0.00 O ATOM 548 CB LYS A 35 -7.755 2.358 11.029 1.00 0.00 C ATOM 549 CG LYS A 35 -8.353 3.077 12.240 1.00 0.00 C ATOM 550 CD LYS A 35 -9.882 3.020 12.212 1.00 0.00 C ATOM 551 CE LYS A 35 -10.485 4.022 13.199 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.941 4.159 12.972 1.00 0.00 N ATOM 0 H LYS A 35 -6.587 0.389 11.953 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.862 2.337 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.036 2.882 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.167 1.351 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.985 2.618 13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.024 4.116 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.239 3.236 11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.217 2.013 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.300 3.692 14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.000 4.991 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.335 4.842 13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.111 4.495 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.401 3.236 13.104 1.00 0.00 H new ATOM 566 N SER A 36 -5.291 3.200 13.154 1.00 0.00 N ATOM 567 CA SER A 36 -4.692 4.221 13.997 1.00 0.00 C ATOM 568 C SER A 36 -3.391 4.722 13.366 1.00 0.00 C ATOM 569 O SER A 36 -2.904 5.798 13.712 1.00 0.00 O ATOM 570 CB SER A 36 -4.427 3.686 15.406 1.00 0.00 C ATOM 571 OG SER A 36 -4.434 4.725 16.381 1.00 0.00 O ATOM 0 H SER A 36 -5.438 2.301 13.612 1.00 0.00 H new ATOM 0 HA SER A 36 -5.393 5.052 14.079 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.184 2.945 15.661 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.463 3.177 15.425 1.00 0.00 H new ATOM 0 HG SER A 36 -4.263 4.343 17.267 1.00 0.00 H new ATOM 577 N PHE A 37 -2.866 3.920 12.453 1.00 0.00 N ATOM 578 CA PHE A 37 -1.631 4.268 11.771 1.00 0.00 C ATOM 579 C PHE A 37 -1.896 4.632 10.308 1.00 0.00 C ATOM 580 O PHE A 37 -1.365 5.621 9.805 1.00 0.00 O ATOM 581 CB PHE A 37 -0.728 3.034 11.822 1.00 0.00 C ATOM 582 CG PHE A 37 -0.263 2.661 13.231 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.226 3.620 14.062 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.339 1.371 13.653 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.658 3.274 15.370 1.00 0.00 C ATOM 586 CE2 PHE A 37 0.092 1.024 14.961 1.00 0.00 C ATOM 587 CZ PHE A 37 0.582 1.983 15.791 1.00 0.00 C ATOM 0 H PHE A 37 -3.273 3.029 12.169 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.170 5.129 12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.262 2.187 11.391 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.147 3.211 11.197 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.286 4.645 13.727 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.727 0.609 12.993 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.047 4.036 16.030 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.031 -0.001 15.296 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.911 1.719 16.785 1.00 0.00 H new ATOM 597 N TYR A 38 -2.717 3.813 9.668 1.00 0.00 N ATOM 598 CA TYR A 38 -3.058 4.035 8.273 1.00 0.00 C ATOM 599 C TYR A 38 -4.305 4.914 8.148 1.00 0.00 C ATOM 600 O TYR A 38 -4.385 5.762 7.260 1.00 0.00 O ATOM 601 CB TYR A 38 -3.361 2.655 7.687 1.00 0.00 C ATOM 602 CG TYR A 38 -2.285 2.135 6.732 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.085 2.754 5.515 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.513 1.047 7.088 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.073 2.265 4.616 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.500 0.558 6.188 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.330 1.191 4.997 1.00 0.00 C ATOM 608 OH TYR A 38 0.626 0.729 4.148 1.00 0.00 O ATOM 0 H TYR A 38 -3.156 2.995 10.090 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.243 4.539 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.482 1.943 8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.313 2.697 7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.688 3.606 5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.669 0.563 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.907 2.740 3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.111 -0.292 6.453 1.00 0.00 H new ATOM 0 HH TYR A 38 0.963 -0.132 4.472 1.00 0.00 H new ATOM 618 N GLY A 39 -5.248 4.680 9.049 1.00 0.00 N ATOM 619 CA GLY A 39 -6.486 5.439 9.050 1.00 0.00 C ATOM 620 C GLY A 39 -6.273 6.836 9.638 1.00 0.00 C ATOM 621 O GLY A 39 -5.251 7.098 10.270 1.00 0.00 O ATOM 0 H GLY A 39 -5.179 3.975 9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.866 5.523 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.242 4.908 9.629 1.00 0.00 H new ATOM 625 N SER A 40 -7.255 7.695 9.410 1.00 0.00 N ATOM 626 CA SER A 40 -7.188 9.058 9.909 1.00 0.00 C ATOM 627 C SER A 40 -5.758 9.590 9.788 1.00 0.00 C ATOM 628 O SER A 40 -5.203 10.112 10.754 1.00 0.00 O ATOM 629 CB SER A 40 -7.663 9.137 11.361 1.00 0.00 C ATOM 630 OG SER A 40 -7.454 10.431 11.922 1.00 0.00 O ATOM 0 H SER A 40 -8.102 7.474 8.886 1.00 0.00 H new ATOM 0 HA SER A 40 -7.851 9.677 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.723 8.888 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.133 8.394 11.957 1.00 0.00 H new ATOM 0 HG SER A 40 -6.506 10.669 11.851 1.00 0.00 H new ATOM 636 N GLY A 41 -5.203 9.438 8.595 1.00 0.00 N ATOM 637 CA GLY A 41 -3.849 9.896 8.336 1.00 0.00 C ATOM 638 C GLY A 41 -2.960 9.705 9.566 1.00 0.00 C ATOM 639 O GLY A 41 -2.873 10.589 10.417 1.00 0.00 O ATOM 0 H GLY A 41 -5.667 9.004 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.431 9.347 7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.865 10.949 8.055 1.00 0.00 H new ATOM 643 N GLY A 42 -2.324 8.544 9.622 1.00 0.00 N ATOM 644 CA GLY A 42 -1.445 8.225 10.734 1.00 0.00 C ATOM 645 C GLY A 42 -0.077 7.756 10.235 1.00 0.00 C ATOM 646 O GLY A 42 0.433 8.266 9.239 1.00 0.00 O ATOM 0 H GLY A 42 -2.400 7.813 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.323 9.102 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.898 7.447 11.349 1.00 0.00 H new ATOM 650 N ASP A 43 0.480 6.790 10.952 1.00 0.00 N ATOM 651 CA ASP A 43 1.779 6.247 10.594 1.00 0.00 C ATOM 652 C ASP A 43 1.885 6.152 9.071 1.00 0.00 C ATOM 653 O ASP A 43 2.904 6.526 8.491 1.00 0.00 O ATOM 654 CB ASP A 43 1.966 4.842 11.169 1.00 0.00 C ATOM 655 CG ASP A 43 3.361 4.551 11.726 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.805 5.342 12.586 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.952 3.545 11.278 1.00 0.00 O ATOM 0 H ASP A 43 0.055 6.370 11.779 1.00 0.00 H new ATOM 0 HA ASP A 43 2.544 6.908 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.235 4.691 11.964 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.744 4.114 10.389 1.00 0.00 H new ATOM 662 N TYR A 44 0.819 5.650 8.465 1.00 0.00 N ATOM 663 CA TYR A 44 0.780 5.501 7.020 1.00 0.00 C ATOM 664 C TYR A 44 -0.294 6.400 6.405 1.00 0.00 C ATOM 665 O TYR A 44 -1.152 5.928 5.661 1.00 0.00 O ATOM 666 CB TYR A 44 0.416 4.038 6.757 1.00 0.00 C ATOM 667 CG TYR A 44 1.015 3.056 7.766 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.382 2.869 7.818 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.190 2.358 8.623 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.946 1.945 8.768 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.753 1.434 9.572 1.00 0.00 C ATOM 672 CZ TYR A 44 2.104 1.273 9.598 1.00 0.00 C ATOM 673 OH TYR A 44 2.636 0.400 10.495 1.00 0.00 O ATOM 0 H TYR A 44 -0.024 5.341 8.948 1.00 0.00 H new ATOM 0 HA TYR A 44 1.737 5.780 6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.669 3.937 6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.752 3.765 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.028 3.415 7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.879 2.505 8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.013 1.789 8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.118 0.881 10.248 1.00 0.00 H new ATOM 0 HH TYR A 44 1.917 -0.006 11.022 1.00 0.00 H new ATOM 683 N SER A 45 -0.212 7.680 6.739 1.00 0.00 N ATOM 684 CA SER A 45 -1.166 8.649 6.229 1.00 0.00 C ATOM 685 C SER A 45 -0.950 8.857 4.729 1.00 0.00 C ATOM 686 O SER A 45 -1.899 9.119 3.992 1.00 0.00 O ATOM 687 CB SER A 45 -1.048 9.982 6.972 1.00 0.00 C ATOM 688 OG SER A 45 0.096 10.724 6.558 1.00 0.00 O ATOM 0 H SER A 45 0.501 8.068 7.357 1.00 0.00 H new ATOM 0 HA SER A 45 -2.170 8.259 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.946 10.574 6.799 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.991 9.796 8.044 1.00 0.00 H new ATOM 0 HG SER A 45 0.135 11.569 7.054 1.00 0.00 H new ATOM 694 N MET A 46 0.305 8.731 4.321 1.00 0.00 N ATOM 695 CA MET A 46 0.657 8.902 2.922 1.00 0.00 C ATOM 696 C MET A 46 0.382 7.624 2.127 1.00 0.00 C ATOM 697 O MET A 46 0.100 7.680 0.931 1.00 0.00 O ATOM 698 CB MET A 46 2.139 9.264 2.809 1.00 0.00 C ATOM 699 CG MET A 46 3.007 8.274 3.590 1.00 0.00 C ATOM 700 SD MET A 46 3.447 8.966 5.175 1.00 0.00 S ATOM 701 CE MET A 46 3.926 10.611 4.674 1.00 0.00 C ATOM 0 H MET A 46 1.090 8.513 4.935 1.00 0.00 H new ATOM 0 HA MET A 46 0.045 9.704 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.437 9.266 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.301 10.273 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.468 7.337 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.908 8.042 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.865 10.880 5.159 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.055 10.639 3.592 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.151 11.320 4.965 1.00 0.00 H new ATOM 711 N PHE A 47 0.475 6.501 2.824 1.00 0.00 N ATOM 712 CA PHE A 47 0.240 5.210 2.199 1.00 0.00 C ATOM 713 C PHE A 47 -1.258 4.912 2.104 1.00 0.00 C ATOM 714 O PHE A 47 -1.715 4.315 1.131 1.00 0.00 O ATOM 715 CB PHE A 47 0.903 4.155 3.086 1.00 0.00 C ATOM 716 CG PHE A 47 2.376 4.436 3.391 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.067 5.334 2.639 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.994 3.787 4.414 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.434 5.594 2.922 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.361 4.048 4.697 1.00 0.00 C ATOM 721 CZ PHE A 47 5.052 4.945 3.945 1.00 0.00 C ATOM 0 H PHE A 47 0.710 6.458 3.816 1.00 0.00 H new ATOM 0 HA PHE A 47 0.649 5.206 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.354 4.088 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.822 3.183 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.576 5.849 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.445 3.073 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.983 6.307 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.852 3.534 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.092 5.142 4.160 1.00 0.00 H new ATOM 731 N ALA A 48 -1.980 5.340 3.129 1.00 0.00 N ATOM 732 CA ALA A 48 -3.416 5.126 3.174 1.00 0.00 C ATOM 733 C ALA A 48 -4.013 5.410 1.794 1.00 0.00 C ATOM 734 O ALA A 48 -3.911 6.526 1.287 1.00 0.00 O ATOM 735 CB ALA A 48 -4.030 6.004 4.267 1.00 0.00 C ATOM 0 H ALA A 48 -1.597 5.834 3.935 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.642 4.089 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.108 5.843 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.594 5.743 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.826 7.052 4.049 1.00 0.00 H new ATOM 741 N GLY A 49 -4.624 4.381 1.226 1.00 0.00 N ATOM 742 CA GLY A 49 -5.238 4.506 -0.085 1.00 0.00 C ATOM 743 C GLY A 49 -4.205 4.916 -1.137 1.00 0.00 C ATOM 744 O GLY A 49 -4.509 5.693 -2.041 1.00 0.00 O ATOM 0 H GLY A 49 -4.707 3.457 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.695 3.558 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.037 5.246 -0.047 1.00 0.00 H new ATOM 748 N LYS A 50 -3.006 4.375 -0.985 1.00 0.00 N ATOM 749 CA LYS A 50 -1.926 4.674 -1.910 1.00 0.00 C ATOM 750 C LYS A 50 -0.905 3.535 -1.882 1.00 0.00 C ATOM 751 O LYS A 50 -0.715 2.892 -0.851 1.00 0.00 O ATOM 752 CB LYS A 50 -1.324 6.047 -1.605 1.00 0.00 C ATOM 753 CG LYS A 50 -2.395 7.139 -1.656 1.00 0.00 C ATOM 754 CD LYS A 50 -1.767 8.529 -1.533 1.00 0.00 C ATOM 755 CE LYS A 50 -1.873 9.297 -2.852 1.00 0.00 C ATOM 756 NZ LYS A 50 -0.850 10.365 -2.914 1.00 0.00 N ATOM 0 H LYS A 50 -2.758 3.731 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.305 4.737 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.860 6.034 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.537 6.271 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.948 7.067 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.113 6.988 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.265 9.088 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.720 8.435 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.743 8.612 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.868 9.732 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.947 10.887 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.981 11.018 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.098 9.941 -2.862 1.00 0.00 H new ATOM 770 N ASP A 51 -0.275 3.320 -3.027 1.00 0.00 N ATOM 771 CA ASP A 51 0.722 2.270 -3.147 1.00 0.00 C ATOM 772 C ASP A 51 2.082 2.810 -2.701 1.00 0.00 C ATOM 773 O ASP A 51 2.859 3.299 -3.521 1.00 0.00 O ATOM 774 CB ASP A 51 0.853 1.797 -4.596 1.00 0.00 C ATOM 775 CG ASP A 51 1.941 0.749 -4.839 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.817 0.625 -3.955 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.874 0.097 -5.903 1.00 0.00 O ATOM 0 H ASP A 51 -0.436 3.855 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 51 0.407 1.434 -2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.104 1.386 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.055 2.662 -5.228 1.00 0.00 H new ATOM 782 N ALA A 52 2.329 2.704 -1.404 1.00 0.00 N ATOM 783 CA ALA A 52 3.582 3.176 -0.840 1.00 0.00 C ATOM 784 C ALA A 52 4.666 2.120 -1.060 1.00 0.00 C ATOM 785 O ALA A 52 5.323 1.692 -0.112 1.00 0.00 O ATOM 786 CB ALA A 52 3.383 3.507 0.641 1.00 0.00 C ATOM 0 H ALA A 52 1.683 2.298 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 52 3.906 4.090 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.323 3.861 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.625 4.283 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.060 2.613 1.173 1.00 0.00 H new ATOM 792 N SER A 53 4.820 1.729 -2.317 1.00 0.00 N ATOM 793 CA SER A 53 5.813 0.730 -2.674 1.00 0.00 C ATOM 794 C SER A 53 7.206 1.363 -2.700 1.00 0.00 C ATOM 795 O SER A 53 8.151 0.816 -2.135 1.00 0.00 O ATOM 796 CB SER A 53 5.493 0.095 -4.029 1.00 0.00 C ATOM 797 OG SER A 53 5.107 1.067 -4.996 1.00 0.00 O ATOM 0 H SER A 53 4.274 2.086 -3.101 1.00 0.00 H new ATOM 0 HA SER A 53 5.793 -0.057 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.366 -0.449 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.692 -0.634 -3.908 1.00 0.00 H new ATOM 0 HG SER A 53 4.198 1.377 -4.803 1.00 0.00 H new ATOM 803 N ARG A 54 7.288 2.508 -3.362 1.00 0.00 N ATOM 804 CA ARG A 54 8.550 3.221 -3.470 1.00 0.00 C ATOM 805 C ARG A 54 8.991 3.728 -2.095 1.00 0.00 C ATOM 806 O ARG A 54 10.159 3.604 -1.730 1.00 0.00 O ATOM 807 CB ARG A 54 8.432 4.407 -4.429 1.00 0.00 C ATOM 808 CG ARG A 54 7.412 4.120 -5.533 1.00 0.00 C ATOM 809 CD ARG A 54 7.668 5.000 -6.758 1.00 0.00 C ATOM 810 NE ARG A 54 9.116 5.043 -7.057 1.00 0.00 N ATOM 811 CZ ARG A 54 9.715 6.033 -7.733 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.993 7.068 -8.184 1.00 0.00 N ATOM 813 NH2 ARG A 54 11.035 5.988 -7.958 1.00 0.00 N ATOM 0 H ARG A 54 6.501 2.960 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 54 9.292 2.525 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.134 5.298 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.405 4.618 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.465 3.069 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.404 4.298 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.122 4.609 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.296 6.008 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 54 9.695 4.270 -6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.988 7.102 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.448 7.822 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.584 5.200 -7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.491 6.742 -8.473 1.00 0.00 H new ATOM 827 N ALA A 55 8.034 4.289 -1.371 1.00 0.00 N ATOM 828 CA ALA A 55 8.310 4.815 -0.045 1.00 0.00 C ATOM 829 C ALA A 55 8.840 3.689 0.846 1.00 0.00 C ATOM 830 O ALA A 55 9.790 3.886 1.601 1.00 0.00 O ATOM 831 CB ALA A 55 7.043 5.460 0.522 1.00 0.00 C ATOM 0 H ALA A 55 7.066 4.391 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 55 9.077 5.588 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.250 5.855 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.724 6.272 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.252 4.713 0.585 1.00 0.00 H new ATOM 837 N LEU A 56 8.202 2.534 0.727 1.00 0.00 N ATOM 838 CA LEU A 56 8.597 1.377 1.512 1.00 0.00 C ATOM 839 C LEU A 56 10.051 1.024 1.195 1.00 0.00 C ATOM 840 O LEU A 56 10.853 0.807 2.102 1.00 0.00 O ATOM 841 CB LEU A 56 7.620 0.220 1.290 1.00 0.00 C ATOM 842 CG LEU A 56 6.466 0.116 2.290 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.748 1.458 2.440 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.504 -1.009 1.901 1.00 0.00 C ATOM 0 H LEU A 56 7.414 2.375 0.099 1.00 0.00 H new ATOM 0 HA LEU A 56 8.549 1.604 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.200 0.312 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.182 -0.714 1.315 1.00 0.00 H new ATOM 0 HG LEU A 56 6.881 -0.138 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.933 1.356 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.452 2.210 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.347 1.766 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.693 -1.062 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.092 -0.810 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.040 -1.958 1.886 1.00 0.00 H new ATOM 856 N GLY A 57 10.347 0.976 -0.096 1.00 0.00 N ATOM 857 CA GLY A 57 11.691 0.652 -0.544 1.00 0.00 C ATOM 858 C GLY A 57 12.710 1.649 0.013 1.00 0.00 C ATOM 859 O GLY A 57 13.450 1.331 0.942 1.00 0.00 O ATOM 0 H GLY A 57 9.679 1.156 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.952 -0.357 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.727 0.660 -1.633 1.00 0.00 H new ATOM 863 N LYS A 58 12.714 2.834 -0.579 1.00 0.00 N ATOM 864 CA LYS A 58 13.630 3.879 -0.153 1.00 0.00 C ATOM 865 C LYS A 58 13.427 4.153 1.338 1.00 0.00 C ATOM 866 O LYS A 58 14.346 4.601 2.021 1.00 0.00 O ATOM 867 CB LYS A 58 13.472 5.121 -1.034 1.00 0.00 C ATOM 868 CG LYS A 58 13.701 4.781 -2.508 1.00 0.00 C ATOM 869 CD LYS A 58 12.542 5.281 -3.372 1.00 0.00 C ATOM 870 CE LYS A 58 13.011 5.578 -4.798 1.00 0.00 C ATOM 871 NZ LYS A 58 12.979 7.034 -5.062 1.00 0.00 N ATOM 0 H LYS A 58 12.098 3.094 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 58 14.663 3.555 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.473 5.538 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.181 5.887 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.634 5.231 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.807 3.702 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.750 4.532 -3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.116 6.182 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.023 5.199 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.372 5.059 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.300 7.218 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.007 7.387 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.607 7.522 -4.392 1.00 0.00 H new ATOM 885 N MET A 59 12.217 3.873 1.799 1.00 0.00 N ATOM 886 CA MET A 59 11.881 4.083 3.197 1.00 0.00 C ATOM 887 C MET A 59 11.852 5.575 3.535 1.00 0.00 C ATOM 888 O MET A 59 12.426 6.000 4.537 1.00 0.00 O ATOM 889 CB MET A 59 12.913 3.380 4.081 1.00 0.00 C ATOM 890 CG MET A 59 12.817 1.860 3.933 1.00 0.00 C ATOM 891 SD MET A 59 14.250 1.083 4.660 1.00 0.00 S ATOM 892 CE MET A 59 13.482 0.234 6.029 1.00 0.00 C ATOM 0 H MET A 59 11.457 3.502 1.229 1.00 0.00 H new ATOM 0 HA MET A 59 10.890 3.668 3.380 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.915 3.713 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.755 3.658 5.123 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.911 1.496 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.744 1.593 2.879 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.241 -0.307 6.594 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.994 0.960 6.680 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.741 -0.470 5.651 1.00 0.00 H new ATOM 902 N SER A 60 11.176 6.329 2.681 1.00 0.00 N ATOM 903 CA SER A 60 11.064 7.765 2.876 1.00 0.00 C ATOM 904 C SER A 60 9.637 8.126 3.293 1.00 0.00 C ATOM 905 O SER A 60 9.388 9.230 3.776 1.00 0.00 O ATOM 906 CB SER A 60 11.455 8.526 1.608 1.00 0.00 C ATOM 907 OG SER A 60 12.152 9.733 1.903 1.00 0.00 O ATOM 0 H SER A 60 10.700 5.973 1.852 1.00 0.00 H new ATOM 0 HA SER A 60 11.753 8.057 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.081 7.890 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.558 8.757 1.033 1.00 0.00 H new ATOM 0 HG SER A 60 11.508 10.463 2.016 1.00 0.00 H new ATOM 913 N LYS A 61 8.737 7.175 3.091 1.00 0.00 N ATOM 914 CA LYS A 61 7.341 7.380 3.440 1.00 0.00 C ATOM 915 C LYS A 61 6.842 8.672 2.792 1.00 0.00 C ATOM 916 O LYS A 61 5.839 9.240 3.222 1.00 0.00 O ATOM 917 CB LYS A 61 7.158 7.342 4.958 1.00 0.00 C ATOM 918 CG LYS A 61 7.674 8.629 5.605 1.00 0.00 C ATOM 919 CD LYS A 61 6.974 8.891 6.941 1.00 0.00 C ATOM 920 CE LYS A 61 7.993 9.038 8.073 1.00 0.00 C ATOM 921 NZ LYS A 61 7.496 8.384 9.305 1.00 0.00 N ATOM 0 H LYS A 61 8.947 6.261 2.690 1.00 0.00 H new ATOM 0 HA LYS A 61 6.727 6.569 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.103 7.208 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.690 6.485 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.750 8.555 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.508 9.470 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.372 9.797 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.291 8.071 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.943 8.593 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.182 10.094 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.199 8.493 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.601 8.827 9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.338 7.373 9.122 1.00 0.00 H new ATOM 935 N ASN A 62 7.565 9.101 1.768 1.00 0.00 N ATOM 936 CA ASN A 62 7.208 10.316 1.056 1.00 0.00 C ATOM 937 C ASN A 62 5.889 10.098 0.311 1.00 0.00 C ATOM 938 O ASN A 62 5.662 9.030 -0.255 1.00 0.00 O ATOM 939 CB ASN A 62 8.277 10.685 0.025 1.00 0.00 C ATOM 940 CG ASN A 62 9.505 11.296 0.704 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.008 10.800 1.698 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.957 12.398 0.113 1.00 0.00 N ATOM 0 H ASN A 62 8.397 8.628 1.414 1.00 0.00 H new ATOM 0 HA ASN A 62 7.118 11.120 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.570 9.796 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.865 11.393 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.772 12.881 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.488 12.760 -0.717 1.00 0.00 H new ATOM 949 N GLU A 63 5.055 11.127 0.336 1.00 0.00 N ATOM 950 CA GLU A 63 3.765 11.060 -0.329 1.00 0.00 C ATOM 951 C GLU A 63 3.953 11.020 -1.847 1.00 0.00 C ATOM 952 O GLU A 63 3.061 10.586 -2.575 1.00 0.00 O ATOM 953 CB GLU A 63 2.875 12.234 0.083 1.00 0.00 C ATOM 954 CG GLU A 63 1.406 11.812 0.146 1.00 0.00 C ATOM 955 CD GLU A 63 0.538 12.714 -0.734 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.636 12.564 -1.971 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.204 13.533 -0.150 1.00 0.00 O ATOM 0 H GLU A 63 5.247 12.011 0.806 1.00 0.00 H new ATOM 0 HA GLU A 63 3.265 10.142 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.191 12.611 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.992 13.051 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.307 10.776 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.055 11.857 1.177 1.00 0.00 H new ATOM 964 N GLU A 64 5.117 11.480 -2.280 1.00 0.00 N ATOM 965 CA GLU A 64 5.433 11.502 -3.698 1.00 0.00 C ATOM 966 C GLU A 64 6.107 10.193 -4.113 1.00 0.00 C ATOM 967 O GLU A 64 6.100 9.832 -5.289 1.00 0.00 O ATOM 968 CB GLU A 64 6.312 12.705 -4.045 1.00 0.00 C ATOM 969 CG GLU A 64 5.837 13.962 -3.313 1.00 0.00 C ATOM 970 CD GLU A 64 5.187 14.949 -4.284 1.00 0.00 C ATOM 971 OE1 GLU A 64 4.173 14.556 -4.900 1.00 0.00 O ATOM 972 OE2 GLU A 64 5.719 16.076 -4.388 1.00 0.00 O ATOM 0 H GLU A 64 5.853 11.841 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 64 4.502 11.601 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.347 12.493 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.291 12.877 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.123 13.687 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.682 14.439 -2.816 1.00 0.00 H new ATOM 979 N ASP A 65 6.672 9.516 -3.123 1.00 0.00 N ATOM 980 CA ASP A 65 7.349 8.254 -3.371 1.00 0.00 C ATOM 981 C ASP A 65 6.308 7.169 -3.654 1.00 0.00 C ATOM 982 O ASP A 65 6.451 6.400 -4.603 1.00 0.00 O ATOM 983 CB ASP A 65 8.166 7.820 -2.152 1.00 0.00 C ATOM 984 CG ASP A 65 9.602 8.346 -2.115 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.834 9.405 -2.737 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.435 7.678 -1.465 1.00 0.00 O ATOM 0 H ASP A 65 6.675 9.818 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 65 8.016 8.389 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.650 8.152 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.193 6.731 -2.121 1.00 0.00 H new ATOM 991 N VAL A 66 5.285 7.142 -2.813 1.00 0.00 N ATOM 992 CA VAL A 66 4.220 6.164 -2.961 1.00 0.00 C ATOM 993 C VAL A 66 3.687 6.210 -4.395 1.00 0.00 C ATOM 994 O VAL A 66 3.190 7.242 -4.843 1.00 0.00 O ATOM 995 CB VAL A 66 3.134 6.410 -1.911 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.105 7.879 -1.486 1.00 0.00 C ATOM 997 CG2 VAL A 66 1.765 5.959 -2.424 1.00 0.00 C ATOM 0 H VAL A 66 5.171 7.781 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 66 4.599 5.157 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 66 3.375 5.813 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.325 8.026 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.070 8.154 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.899 8.505 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.011 6.145 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.512 6.517 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.795 4.894 -2.653 1.00 0.00 H new ATOM 1007 N SER A 67 3.809 5.079 -5.073 1.00 0.00 N ATOM 1008 CA SER A 67 3.346 4.977 -6.447 1.00 0.00 C ATOM 1009 C SER A 67 2.603 3.655 -6.652 1.00 0.00 C ATOM 1010 O SER A 67 3.063 2.605 -6.206 1.00 0.00 O ATOM 1011 CB SER A 67 4.512 5.088 -7.431 1.00 0.00 C ATOM 1012 OG SER A 67 4.167 5.853 -8.583 1.00 0.00 O ATOM 0 H SER A 67 4.222 4.225 -4.697 1.00 0.00 H new ATOM 0 HA SER A 67 2.663 5.804 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.365 5.548 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.823 4.090 -7.739 1.00 0.00 H new ATOM 0 HG SER A 67 4.938 5.902 -9.186 1.00 0.00 H new ATOM 1018 N PRO A 68 1.436 3.753 -7.344 1.00 0.00 N ATOM 1019 CA PRO A 68 0.625 2.578 -7.613 1.00 0.00 C ATOM 1020 C PRO A 68 1.248 1.722 -8.717 1.00 0.00 C ATOM 1021 O PRO A 68 0.633 0.769 -9.191 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.745 3.122 -7.985 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.526 4.578 -8.362 1.00 0.00 C ATOM 1024 CD PRO A 68 0.860 4.980 -7.886 1.00 0.00 C ATOM 0 HA PRO A 68 0.554 1.911 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.175 2.563 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.440 3.035 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.612 4.710 -9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.286 5.210 -7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.462 5.372 -8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.807 5.761 -7.128 1.00 0.00 H new ATOM 1032 N SER A 69 2.462 2.095 -9.096 1.00 0.00 N ATOM 1033 CA SER A 69 3.176 1.373 -10.136 1.00 0.00 C ATOM 1034 C SER A 69 4.647 1.214 -9.747 1.00 0.00 C ATOM 1035 O SER A 69 5.334 2.201 -9.485 1.00 0.00 O ATOM 1036 CB SER A 69 3.057 2.089 -11.483 1.00 0.00 C ATOM 1037 OG SER A 69 4.220 2.854 -11.785 1.00 0.00 O ATOM 0 H SER A 69 2.969 2.887 -8.702 1.00 0.00 H new ATOM 0 HA SER A 69 2.726 0.386 -10.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.892 1.354 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.186 2.744 -11.470 1.00 0.00 H new ATOM 0 HG SER A 69 4.668 3.111 -10.952 1.00 0.00 H new ATOM 1043 N LEU A 70 5.088 -0.035 -9.723 1.00 0.00 N ATOM 1044 CA LEU A 70 6.465 -0.336 -9.370 1.00 0.00 C ATOM 1045 C LEU A 70 7.348 0.867 -9.709 1.00 0.00 C ATOM 1046 O LEU A 70 8.055 1.385 -8.846 1.00 0.00 O ATOM 1047 CB LEU A 70 6.916 -1.637 -10.037 1.00 0.00 C ATOM 1048 CG LEU A 70 6.320 -2.925 -9.466 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.779 -4.145 -10.268 1.00 0.00 C ATOM 1050 CD2 LEU A 70 6.641 -3.065 -7.976 1.00 0.00 C ATOM 0 H LEU A 70 4.516 -0.851 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 70 6.555 -0.506 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.667 -1.584 -11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.002 -1.700 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 70 5.235 -2.869 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.341 -5.047 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.458 -4.041 -11.304 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.866 -4.217 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.206 -3.989 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.722 -3.089 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.224 -2.217 -7.433 1.00 0.00 H new ATOM 1062 N GLU A 71 7.278 1.276 -10.967 1.00 0.00 N ATOM 1063 CA GLU A 71 8.062 2.408 -11.430 1.00 0.00 C ATOM 1064 C GLU A 71 9.537 2.018 -11.552 1.00 0.00 C ATOM 1065 O GLU A 71 9.861 0.841 -11.701 1.00 0.00 O ATOM 1066 CB GLU A 71 7.888 3.612 -10.502 1.00 0.00 C ATOM 1067 CG GLU A 71 7.340 4.819 -11.267 1.00 0.00 C ATOM 1068 CD GLU A 71 8.422 5.449 -12.146 1.00 0.00 C ATOM 1069 OE1 GLU A 71 8.646 4.904 -13.248 1.00 0.00 O ATOM 1070 OE2 GLU A 71 9.000 6.461 -11.695 1.00 0.00 O ATOM 0 H GLU A 71 6.690 0.844 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 71 7.700 2.696 -12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.210 3.354 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.846 3.868 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.498 4.510 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.962 5.560 -10.562 1.00 0.00 H new ATOM 1077 N GLY A 72 10.391 3.029 -11.483 1.00 0.00 N ATOM 1078 CA GLY A 72 11.823 2.806 -11.583 1.00 0.00 C ATOM 1079 C GLY A 72 12.409 2.385 -10.234 1.00 0.00 C ATOM 1080 O GLY A 72 13.427 2.922 -9.800 1.00 0.00 O ATOM 0 H GLY A 72 10.119 4.004 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.023 2.035 -12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.313 3.716 -11.928 1.00 0.00 H new ATOM 1084 N LEU A 73 11.740 1.428 -9.607 1.00 0.00 N ATOM 1085 CA LEU A 73 12.181 0.929 -8.316 1.00 0.00 C ATOM 1086 C LEU A 73 13.596 0.362 -8.450 1.00 0.00 C ATOM 1087 O LEU A 73 13.808 -0.630 -9.145 1.00 0.00 O ATOM 1088 CB LEU A 73 11.168 -0.071 -7.754 1.00 0.00 C ATOM 1089 CG LEU A 73 10.016 0.526 -6.943 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.212 0.276 -5.446 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.836 2.012 -7.258 1.00 0.00 C ATOM 0 H LEU A 73 10.896 0.985 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 73 12.230 1.740 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.746 -0.637 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.701 -0.782 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 73 9.095 0.022 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.380 0.710 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.252 -0.797 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.144 0.736 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.011 2.412 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.752 2.550 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.617 2.135 -8.319 1.00 0.00 H new ATOM 1103 N THR A 74 14.527 1.016 -7.772 1.00 0.00 N ATOM 1104 CA THR A 74 15.916 0.590 -7.806 1.00 0.00 C ATOM 1105 C THR A 74 16.110 -0.664 -6.951 1.00 0.00 C ATOM 1106 O THR A 74 15.143 -1.226 -6.438 1.00 0.00 O ATOM 1107 CB THR A 74 16.784 1.768 -7.362 1.00 0.00 C ATOM 1108 OG1 THR A 74 18.110 1.247 -7.374 1.00 0.00 O ATOM 1109 CG2 THR A 74 16.547 2.151 -5.899 1.00 0.00 C ATOM 0 H THR A 74 14.347 1.838 -7.196 1.00 0.00 H new ATOM 0 HA THR A 74 16.218 0.308 -8.815 1.00 0.00 H new ATOM 0 HB THR A 74 16.582 2.628 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.739 1.947 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.188 2.992 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.503 2.433 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.781 1.301 -5.258 1.00 0.00 H new ATOM 1117 N GLU A 75 17.366 -1.067 -6.824 1.00 0.00 N ATOM 1118 CA GLU A 75 17.699 -2.244 -6.040 1.00 0.00 C ATOM 1119 C GLU A 75 17.427 -1.988 -4.557 1.00 0.00 C ATOM 1120 O GLU A 75 16.871 -2.842 -3.868 1.00 0.00 O ATOM 1121 CB GLU A 75 19.154 -2.660 -6.267 1.00 0.00 C ATOM 1122 CG GLU A 75 19.234 -3.964 -7.063 1.00 0.00 C ATOM 1123 CD GLU A 75 20.288 -4.903 -6.472 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.469 -4.738 -6.847 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.889 -5.765 -5.660 1.00 0.00 O ATOM 0 H GLU A 75 18.165 -0.599 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 75 17.065 -3.067 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.682 -1.871 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.654 -2.785 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.261 -4.456 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.478 -3.745 -8.103 1.00 0.00 H new ATOM 1132 N LYS A 76 17.831 -0.808 -4.109 1.00 0.00 N ATOM 1133 CA LYS A 76 17.637 -0.429 -2.719 1.00 0.00 C ATOM 1134 C LYS A 76 16.174 -0.653 -2.333 1.00 0.00 C ATOM 1135 O LYS A 76 15.886 -1.246 -1.295 1.00 0.00 O ATOM 1136 CB LYS A 76 18.124 1.002 -2.481 1.00 0.00 C ATOM 1137 CG LYS A 76 16.950 1.983 -2.454 1.00 0.00 C ATOM 1138 CD LYS A 76 17.402 3.366 -1.981 1.00 0.00 C ATOM 1139 CE LYS A 76 18.117 4.122 -3.103 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.856 5.282 -2.556 1.00 0.00 N ATOM 0 H LYS A 76 18.292 -0.102 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 76 18.239 -1.059 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.667 1.053 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.823 1.288 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.513 2.060 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.171 1.605 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.538 3.939 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.069 3.262 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.807 3.454 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.391 4.461 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.336 5.784 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.190 5.927 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.562 4.951 -1.868 1.00 0.00 H new ATOM 1154 N GLU A 77 15.288 -0.166 -3.190 1.00 0.00 N ATOM 1155 CA GLU A 77 13.862 -0.306 -2.951 1.00 0.00 C ATOM 1156 C GLU A 77 13.390 -1.704 -3.358 1.00 0.00 C ATOM 1157 O GLU A 77 12.611 -2.332 -2.643 1.00 0.00 O ATOM 1158 CB GLU A 77 13.073 0.776 -3.692 1.00 0.00 C ATOM 1159 CG GLU A 77 13.932 1.436 -4.773 1.00 0.00 C ATOM 1160 CD GLU A 77 13.131 2.489 -5.542 1.00 0.00 C ATOM 1161 OE1 GLU A 77 12.012 2.800 -5.079 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.656 2.960 -6.574 1.00 0.00 O ATOM 0 H GLU A 77 15.530 0.326 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 77 13.678 -0.178 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.185 0.337 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.730 1.530 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.805 1.901 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.300 0.677 -5.464 1.00 0.00 H new ATOM 1169 N ILE A 78 13.881 -2.149 -4.505 1.00 0.00 N ATOM 1170 CA ILE A 78 13.520 -3.461 -5.015 1.00 0.00 C ATOM 1171 C ILE A 78 13.766 -4.511 -3.930 1.00 0.00 C ATOM 1172 O ILE A 78 13.084 -5.533 -3.884 1.00 0.00 O ATOM 1173 CB ILE A 78 14.254 -3.747 -6.326 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.570 -3.048 -7.502 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.396 -5.253 -6.558 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.971 -4.067 -8.473 1.00 0.00 C ATOM 0 H ILE A 78 14.526 -1.624 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 78 12.458 -3.496 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 78 15.261 -3.337 -6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.785 -2.389 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.291 -2.421 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.921 -5.429 -7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.961 -5.696 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.407 -5.709 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.491 -3.543 -9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.762 -4.709 -8.861 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.233 -4.676 -7.952 1.00 0.00 H new ATOM 1188 N ASN A 79 14.743 -4.222 -3.083 1.00 0.00 N ATOM 1189 CA ASN A 79 15.088 -5.129 -2.001 1.00 0.00 C ATOM 1190 C ASN A 79 14.244 -4.793 -0.770 1.00 0.00 C ATOM 1191 O ASN A 79 13.715 -5.687 -0.113 1.00 0.00 O ATOM 1192 CB ASN A 79 16.562 -4.991 -1.615 1.00 0.00 C ATOM 1193 CG ASN A 79 17.460 -5.745 -2.599 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.324 -6.938 -2.813 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.382 -4.985 -3.182 1.00 0.00 N ATOM 0 H ASN A 79 15.307 -3.373 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 79 14.898 -6.147 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.840 -3.937 -1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.715 -5.378 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.030 -5.395 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.441 -3.992 -2.957 1.00 0.00 H new ATOM 1202 N THR A 80 14.144 -3.500 -0.496 1.00 0.00 N ATOM 1203 CA THR A 80 13.373 -3.034 0.644 1.00 0.00 C ATOM 1204 C THR A 80 11.875 -3.103 0.339 1.00 0.00 C ATOM 1205 O THR A 80 11.098 -3.619 1.139 1.00 0.00 O ATOM 1206 CB THR A 80 13.857 -1.627 0.999 1.00 0.00 C ATOM 1207 OG1 THR A 80 15.215 -1.815 1.389 1.00 0.00 O ATOM 1208 CG2 THR A 80 13.181 -1.075 2.256 1.00 0.00 C ATOM 0 H THR A 80 14.584 -2.761 -1.044 1.00 0.00 H new ATOM 0 HA THR A 80 13.525 -3.674 1.513 1.00 0.00 H new ATOM 0 HB THR A 80 13.668 -0.956 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.801 -1.665 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.560 -0.074 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.103 -1.029 2.099 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.397 -1.728 3.102 1.00 0.00 H new ATOM 1216 N LEU A 81 11.516 -2.574 -0.822 1.00 0.00 N ATOM 1217 CA LEU A 81 10.125 -2.568 -1.243 1.00 0.00 C ATOM 1218 C LEU A 81 9.601 -4.005 -1.277 1.00 0.00 C ATOM 1219 O LEU A 81 8.646 -4.338 -0.577 1.00 0.00 O ATOM 1220 CB LEU A 81 9.971 -1.825 -2.572 1.00 0.00 C ATOM 1221 CG LEU A 81 8.570 -1.838 -3.188 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.519 -2.751 -4.414 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.516 -2.217 -2.146 1.00 0.00 C ATOM 0 H LEU A 81 12.164 -2.147 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 81 9.512 -2.022 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.271 -0.788 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.667 -2.258 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 81 8.337 -0.829 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.513 -2.742 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.227 -2.395 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.781 -3.768 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.530 -2.219 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.734 -3.210 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.533 -1.493 -1.332 1.00 0.00 H new ATOM 1235 N ASN A 82 10.249 -4.818 -2.098 1.00 0.00 N ATOM 1236 CA ASN A 82 9.860 -6.212 -2.233 1.00 0.00 C ATOM 1237 C ASN A 82 9.752 -6.843 -0.843 1.00 0.00 C ATOM 1238 O ASN A 82 8.833 -7.616 -0.579 1.00 0.00 O ATOM 1239 CB ASN A 82 10.902 -6.999 -3.030 1.00 0.00 C ATOM 1240 CG ASN A 82 10.875 -6.604 -4.508 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.724 -5.448 -4.865 1.00 0.00 O ATOM 1242 ND2 ASN A 82 11.029 -7.627 -5.344 1.00 0.00 N ATOM 0 H ASN A 82 11.041 -4.538 -2.677 1.00 0.00 H new ATOM 0 HA ASN A 82 8.904 -6.247 -2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.895 -6.815 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.709 -8.067 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.025 -7.467 -6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.151 -8.571 -4.978 1.00 0.00 H new ATOM 1249 N ASP A 83 10.704 -6.489 0.008 1.00 0.00 N ATOM 1250 CA ASP A 83 10.727 -7.012 1.364 1.00 0.00 C ATOM 1251 C ASP A 83 9.515 -6.480 2.131 1.00 0.00 C ATOM 1252 O ASP A 83 8.911 -7.203 2.922 1.00 0.00 O ATOM 1253 CB ASP A 83 11.989 -6.564 2.105 1.00 0.00 C ATOM 1254 CG ASP A 83 11.807 -6.327 3.605 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.705 -7.339 4.332 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.774 -5.138 3.992 1.00 0.00 O ATOM 0 H ASP A 83 11.465 -5.847 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 83 10.709 -8.100 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.763 -7.318 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.353 -5.644 1.648 1.00 0.00 H new ATOM 1261 N TRP A 84 9.195 -5.221 1.870 1.00 0.00 N ATOM 1262 CA TRP A 84 8.065 -4.585 2.526 1.00 0.00 C ATOM 1263 C TRP A 84 6.808 -5.388 2.187 1.00 0.00 C ATOM 1264 O TRP A 84 5.931 -5.563 3.032 1.00 0.00 O ATOM 1265 CB TRP A 84 7.959 -3.112 2.128 1.00 0.00 C ATOM 1266 CG TRP A 84 8.489 -2.142 3.186 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.553 -1.332 3.104 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.932 -1.911 4.498 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.722 -0.599 4.261 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.705 -0.963 5.135 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.811 -2.485 5.124 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.442 -0.505 6.432 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.562 -2.017 6.419 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.331 -1.063 7.076 1.00 0.00 C ATOM 0 H TRP A 84 9.698 -4.624 1.213 1.00 0.00 H new ATOM 0 HA TRP A 84 8.197 -4.586 3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.509 -2.957 1.200 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.915 -2.876 1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.198 -1.261 2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.458 0.084 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.192 -3.228 4.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.063 0.239 6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.712 -2.426 6.945 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.073 -0.754 8.078 1.00 0.00 H new ATOM 1285 N GLU A 85 6.759 -5.856 0.948 1.00 0.00 N ATOM 1286 CA GLU A 85 5.623 -6.636 0.487 1.00 0.00 C ATOM 1287 C GLU A 85 5.513 -7.936 1.285 1.00 0.00 C ATOM 1288 O GLU A 85 4.429 -8.304 1.734 1.00 0.00 O ATOM 1289 CB GLU A 85 5.726 -6.920 -1.013 1.00 0.00 C ATOM 1290 CG GLU A 85 4.794 -8.064 -1.419 1.00 0.00 C ATOM 1291 CD GLU A 85 5.238 -8.688 -2.744 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.366 -9.226 -2.768 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.440 -8.612 -3.703 1.00 0.00 O ATOM 0 H GLU A 85 7.488 -5.710 0.249 1.00 0.00 H new ATOM 0 HA GLU A 85 4.716 -6.054 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.471 -6.022 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.754 -7.175 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.785 -8.825 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.774 -7.691 -1.512 1.00 0.00 H new ATOM 1300 N THR A 86 6.651 -8.598 1.438 1.00 0.00 N ATOM 1301 CA THR A 86 6.697 -9.849 2.174 1.00 0.00 C ATOM 1302 C THR A 86 6.287 -9.626 3.631 1.00 0.00 C ATOM 1303 O THR A 86 5.820 -10.550 4.296 1.00 0.00 O ATOM 1304 CB THR A 86 8.101 -10.437 2.021 1.00 0.00 C ATOM 1305 OG1 THR A 86 8.061 -11.111 0.766 1.00 0.00 O ATOM 1306 CG2 THR A 86 8.384 -11.550 3.033 1.00 0.00 C ATOM 0 H THR A 86 7.549 -8.290 1.064 1.00 0.00 H new ATOM 0 HA THR A 86 5.983 -10.569 1.775 1.00 0.00 H new ATOM 0 HB THR A 86 8.840 -9.644 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.933 -11.520 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.393 -11.932 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.295 -11.153 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.665 -12.358 2.896 1.00 0.00 H new ATOM 1314 N LYS A 87 6.476 -8.396 4.084 1.00 0.00 N ATOM 1315 CA LYS A 87 6.131 -8.040 5.450 1.00 0.00 C ATOM 1316 C LYS A 87 4.653 -7.649 5.513 1.00 0.00 C ATOM 1317 O LYS A 87 3.965 -7.963 6.483 1.00 0.00 O ATOM 1318 CB LYS A 87 7.077 -6.958 5.976 1.00 0.00 C ATOM 1319 CG LYS A 87 8.537 -7.398 5.852 1.00 0.00 C ATOM 1320 CD LYS A 87 9.474 -6.190 5.836 1.00 0.00 C ATOM 1321 CE LYS A 87 10.688 -6.425 6.738 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.537 -5.688 8.013 1.00 0.00 N ATOM 0 H LYS A 87 6.864 -7.633 3.529 1.00 0.00 H new ATOM 0 HA LYS A 87 6.263 -8.896 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.924 -6.034 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.846 -6.744 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.795 -8.052 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.670 -7.978 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.806 -5.997 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.935 -5.303 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.799 -7.491 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.595 -6.100 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.369 -5.858 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.454 -4.670 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.682 -6.017 8.505 1.00 0.00 H new ATOM 1336 N PHE A 88 4.209 -6.969 4.466 1.00 0.00 N ATOM 1337 CA PHE A 88 2.825 -6.531 4.390 1.00 0.00 C ATOM 1338 C PHE A 88 1.905 -7.689 4.000 1.00 0.00 C ATOM 1339 O PHE A 88 0.859 -7.890 4.616 1.00 0.00 O ATOM 1340 CB PHE A 88 2.756 -5.453 3.307 1.00 0.00 C ATOM 1341 CG PHE A 88 2.577 -4.034 3.852 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.445 -3.548 4.779 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.550 -3.260 3.410 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.280 -2.231 5.285 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.385 -1.943 3.915 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.253 -1.457 4.842 1.00 0.00 C ATOM 0 H PHE A 88 4.783 -6.711 3.663 1.00 0.00 H new ATOM 0 HA PHE A 88 2.500 -6.154 5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.669 -5.490 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.929 -5.680 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.260 -4.163 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.860 -3.647 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.970 -1.845 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.570 -1.328 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.127 -0.456 5.227 1.00 0.00 H new ATOM 1356 N GLU A 89 2.327 -8.421 2.980 1.00 0.00 N ATOM 1357 CA GLU A 89 1.554 -9.554 2.500 1.00 0.00 C ATOM 1358 C GLU A 89 1.581 -10.688 3.527 1.00 0.00 C ATOM 1359 O GLU A 89 0.732 -11.578 3.497 1.00 0.00 O ATOM 1360 CB GLU A 89 2.068 -10.033 1.141 1.00 0.00 C ATOM 1361 CG GLU A 89 2.609 -11.461 1.232 1.00 0.00 C ATOM 1362 CD GLU A 89 3.843 -11.524 2.134 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.164 -10.473 2.731 1.00 0.00 O ATOM 1364 OE2 GLU A 89 4.438 -12.621 2.207 1.00 0.00 O ATOM 0 H GLU A 89 3.195 -8.252 2.472 1.00 0.00 H new ATOM 0 HA GLU A 89 0.521 -9.234 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.262 -9.992 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.854 -9.364 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.835 -12.123 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.864 -11.821 0.235 1.00 0.00 H new ATOM 1371 N ALA A 90 2.564 -10.619 4.412 1.00 0.00 N ATOM 1372 CA ALA A 90 2.713 -11.628 5.447 1.00 0.00 C ATOM 1373 C ALA A 90 2.238 -11.056 6.784 1.00 0.00 C ATOM 1374 O ALA A 90 2.674 -11.502 7.844 1.00 0.00 O ATOM 1375 CB ALA A 90 4.168 -12.098 5.497 1.00 0.00 C ATOM 0 H ALA A 90 3.266 -9.879 4.434 1.00 0.00 H new ATOM 0 HA ALA A 90 2.097 -12.499 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.279 -12.855 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.446 -12.524 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.817 -11.251 5.720 1.00 0.00 H new ATOM 1381 N LYS A 91 1.351 -10.076 6.690 1.00 0.00 N ATOM 1382 CA LYS A 91 0.812 -9.439 7.880 1.00 0.00 C ATOM 1383 C LYS A 91 -0.589 -8.905 7.576 1.00 0.00 C ATOM 1384 O LYS A 91 -1.517 -9.107 8.358 1.00 0.00 O ATOM 1385 CB LYS A 91 1.778 -8.372 8.399 1.00 0.00 C ATOM 1386 CG LYS A 91 3.012 -9.012 9.037 1.00 0.00 C ATOM 1387 CD LYS A 91 3.694 -8.045 10.006 1.00 0.00 C ATOM 1388 CE LYS A 91 5.150 -8.447 10.249 1.00 0.00 C ATOM 1389 NZ LYS A 91 6.059 -7.328 9.913 1.00 0.00 N ATOM 0 H LYS A 91 0.992 -9.708 5.809 1.00 0.00 H new ATOM 0 HA LYS A 91 0.709 -10.163 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.084 -7.723 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.271 -7.743 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.722 -9.919 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.715 -9.309 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.655 -7.033 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.154 -8.032 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.285 -8.733 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.398 -9.319 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.046 -7.644 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.882 -7.018 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.889 -6.535 10.564 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.699 -8.233 6.439 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.971 -7.669 6.023 1.00 0.00 C ATOM 1405 C TYR A 92 -2.690 -8.600 5.045 1.00 0.00 C ATOM 1406 O TYR A 92 -2.071 -9.147 4.134 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.637 -6.358 5.309 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.146 -5.249 6.242 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.757 -5.053 7.464 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.091 -4.445 5.862 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.295 -4.009 8.341 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.372 -3.401 6.740 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.253 -3.235 7.936 1.00 0.00 C ATOM 1414 OH TYR A 92 0.184 -2.250 8.765 1.00 0.00 O ATOM 0 H TYR A 92 0.073 -8.067 5.793 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.625 -7.522 6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.872 -6.551 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.524 -6.008 4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.582 -5.683 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.388 -4.598 4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.765 -3.844 9.299 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.197 -2.765 6.455 1.00 0.00 H new ATOM 0 HH TYR A 92 0.934 -1.779 8.346 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.022 -8.755 5.272 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.832 -9.610 4.421 1.00 0.00 C ATOM 1426 C PRO A 93 -5.105 -8.941 3.073 1.00 0.00 C ATOM 1427 O PRO A 93 -5.354 -7.738 3.011 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.098 -9.874 5.220 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.154 -8.789 6.283 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.789 -8.122 6.341 1.00 0.00 C ATOM 0 HA PRO A 93 -4.334 -10.546 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.979 -9.839 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.074 -10.865 5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.926 -8.058 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.411 -9.217 7.252 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.867 -7.046 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.315 -8.273 7.311 1.00 0.00 H new ATOM 1438 N VAL A 94 -5.048 -9.750 2.025 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.286 -9.252 0.681 1.00 0.00 C ATOM 1440 C VAL A 94 -6.785 -9.310 0.378 1.00 0.00 C ATOM 1441 O VAL A 94 -7.347 -10.392 0.214 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.442 -10.037 -0.325 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.660 -9.516 -1.748 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.960 -9.995 0.053 1.00 0.00 C ATOM 0 H VAL A 94 -4.840 -10.747 2.080 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.978 -8.210 0.600 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.766 -11.077 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.049 -10.091 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.711 -9.621 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.376 -8.465 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.382 -10.560 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.617 -8.961 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.824 -10.434 1.041 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.389 -8.133 0.313 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.812 -8.037 0.032 1.00 0.00 C ATOM 1456 C VAL A 95 -9.026 -7.985 -1.482 1.00 0.00 C ATOM 1457 O VAL A 95 -10.127 -8.246 -1.965 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.408 -6.832 0.762 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.134 -6.910 2.265 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.882 -5.520 0.176 1.00 0.00 C ATOM 0 H VAL A 95 -6.920 -7.238 0.450 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.336 -8.918 0.404 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.488 -6.854 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.568 -6.041 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.580 -7.819 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.058 -6.926 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.322 -4.680 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.797 -5.486 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.152 -5.458 -0.878 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.957 -7.647 -2.188 1.00 0.00 N ATOM 1471 CA GLY A 96 -8.015 -7.559 -3.637 1.00 0.00 C ATOM 1472 C GLY A 96 -6.634 -7.259 -4.223 1.00 0.00 C ATOM 1473 O GLY A 96 -5.648 -7.179 -3.491 1.00 0.00 O ATOM 0 H GLY A 96 -7.046 -7.431 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.392 -8.496 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.716 -6.777 -3.930 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.606 -7.100 -5.538 1.00 0.00 N ATOM 1478 CA ARG A 97 -5.362 -6.811 -6.231 1.00 0.00 C ATOM 1479 C ARG A 97 -5.520 -5.567 -7.108 1.00 0.00 C ATOM 1480 O ARG A 97 -6.432 -5.495 -7.930 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.931 -7.991 -7.104 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.269 -7.504 -8.395 1.00 0.00 C ATOM 1483 CD ARG A 97 -2.775 -7.250 -8.184 1.00 0.00 C ATOM 1484 NE ARG A 97 -1.992 -8.413 -8.656 1.00 0.00 N ATOM 1485 CZ ARG A 97 -0.662 -8.524 -8.532 1.00 0.00 C ATOM 1486 NH1 ARG A 97 0.040 -7.544 -7.948 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -0.035 -9.616 -8.990 1.00 0.00 N ATOM 0 H ARG A 97 -7.425 -7.166 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.595 -6.633 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.236 -8.623 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.798 -8.606 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.408 -8.246 -9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.753 -6.588 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.471 -6.353 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.574 -7.070 -7.128 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.496 -9.178 -9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.438 -6.714 -7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.052 -7.628 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.570 -10.363 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.977 -9.700 -8.896 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.618 -4.619 -6.903 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.645 -3.382 -7.665 1.00 0.00 C ATOM 1503 C VAL A 98 -4.543 -3.704 -9.157 1.00 0.00 C ATOM 1504 O VAL A 98 -3.941 -4.706 -9.539 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.539 -2.443 -7.179 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.447 -1.200 -8.065 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.750 -2.058 -5.713 1.00 0.00 C ATOM 0 H VAL A 98 -3.863 -4.682 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.588 -2.859 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.591 -2.977 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.653 -0.549 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.226 -1.499 -9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.396 -0.664 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.950 -1.390 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.710 -1.553 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.741 -2.956 -5.096 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.142 -2.837 -9.959 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.127 -3.017 -11.401 1.00 0.00 C ATOM 1519 C VAL A 99 -4.971 -1.654 -12.079 1.00 0.00 C ATOM 1520 O VAL A 99 -4.128 -1.487 -12.959 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.383 -3.767 -11.848 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.071 -5.238 -12.132 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.499 -3.634 -10.811 1.00 0.00 C ATOM 0 H VAL A 99 -5.641 -2.007 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.276 -3.629 -11.701 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.732 -3.313 -12.776 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.981 -5.748 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.324 -5.305 -12.923 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.686 -5.709 -11.228 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.380 -4.176 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.164 -4.049 -9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.749 -2.581 -10.679 1.00 0.00 H new ATOM 1533 N SER A 100 -5.797 -0.714 -11.644 1.00 0.00 N ATOM 1534 CA SER A 100 -5.762 0.628 -12.198 1.00 0.00 C ATOM 1535 C SER A 100 -5.784 0.565 -13.726 1.00 0.00 C ATOM 1536 O SER A 100 -6.289 -0.397 -14.304 1.00 0.00 O ATOM 1537 CB SER A 100 -4.526 1.391 -11.716 1.00 0.00 C ATOM 1538 OG SER A 100 -4.614 2.784 -11.999 1.00 0.00 O ATOM 0 H SER A 100 -6.495 -0.856 -10.914 1.00 0.00 H new ATOM 0 HA SER A 100 -6.645 1.164 -11.850 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.407 1.246 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.637 0.980 -12.194 1.00 0.00 H new ATOM 0 HG SER A 100 -3.807 3.235 -11.674 1.00 0.00 H new