USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 37 LYS NZ :NH3+ -169:sc= -0.623! (180deg=-0.324) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.39! C(o=-2!,f=-17!) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0.661! (180deg=0.529!) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.16 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 0.0154 (180deg=-1.47!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.177 USER MOD Single : A 36 LYS NZ :NH3+ -115:sc= 0.449 (180deg=-1.96!) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.374 (180deg=-1.06) USER MOD Single : A 47 GLN : amide:sc= -0.598 K(o=-0.6,f=-13!) USER MOD Single : A 55 THR OG1 : rot 106:sc= 1.07 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.000439) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.628 K(o=-0.63,f=-3!) USER MOD Single : A 78 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -10.023 -31.408 5.610 1.00 0.00 N ATOM 20 CA LYS A 21 -10.393 -30.678 6.877 1.00 0.00 C ATOM 21 C LYS A 21 -9.151 -29.824 7.241 1.00 0.00 C ATOM 22 O LYS A 21 -8.535 -29.928 8.283 1.00 0.00 O ATOM 23 CB LYS A 21 -10.717 -31.754 7.976 1.00 0.00 C ATOM 24 CG LYS A 21 -11.856 -31.322 8.959 1.00 0.00 C ATOM 25 CD LYS A 21 -11.475 -30.104 9.857 1.00 0.00 C ATOM 26 CE LYS A 21 -12.625 -29.817 10.873 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.418 -28.474 11.481 1.00 0.00 N ATOM 0 HA LYS A 21 -11.268 -30.035 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.004 -32.685 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.813 -31.960 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.747 -31.074 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.114 -32.167 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.548 -30.310 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.297 -29.225 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.590 -29.856 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.640 -30.582 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.191 -28.271 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.511 -28.459 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.407 -27.752 10.733 1.00 0.00 H new ATOM 41 N THR A 22 -8.839 -28.968 6.306 1.00 0.00 N ATOM 42 CA THR A 22 -7.673 -28.036 6.397 1.00 0.00 C ATOM 43 C THR A 22 -8.266 -26.680 6.705 1.00 0.00 C ATOM 44 O THR A 22 -7.672 -25.665 6.417 1.00 0.00 O ATOM 45 CB THR A 22 -6.863 -27.976 5.025 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.704 -27.623 3.929 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.402 -29.346 4.589 1.00 0.00 C ATOM 0 H THR A 22 -9.371 -28.872 5.441 1.00 0.00 H new ATOM 0 HA THR A 22 -6.968 -28.367 7.159 1.00 0.00 H new ATOM 0 HB THR A 22 -6.059 -27.268 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.216 -27.749 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.854 -29.264 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.751 -29.771 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.268 -29.993 4.448 1.00 0.00 H new ATOM 55 N GLU A 23 -9.431 -26.753 7.300 1.00 0.00 N ATOM 56 CA GLU A 23 -10.248 -25.576 7.735 1.00 0.00 C ATOM 57 C GLU A 23 -10.955 -25.793 9.102 1.00 0.00 C ATOM 58 O GLU A 23 -11.277 -26.904 9.493 1.00 0.00 O ATOM 59 CB GLU A 23 -11.330 -25.284 6.670 1.00 0.00 C ATOM 60 CG GLU A 23 -12.321 -26.522 6.507 1.00 0.00 C ATOM 61 CD GLU A 23 -13.728 -26.147 6.006 1.00 0.00 C ATOM 62 OE1 GLU A 23 -13.875 -25.058 5.478 1.00 0.00 O ATOM 63 OE2 GLU A 23 -14.574 -27.014 6.204 1.00 0.00 O ATOM 0 H GLU A 23 -9.877 -27.645 7.515 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.557 -24.740 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.895 -24.396 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.854 -25.066 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.879 -27.237 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.413 -27.027 7.468 1.00 0.00 H new ATOM 70 N TRP A 24 -11.166 -24.710 9.795 1.00 0.00 N ATOM 71 CA TRP A 24 -11.937 -24.743 11.071 1.00 0.00 C ATOM 72 C TRP A 24 -13.046 -23.721 11.096 1.00 0.00 C ATOM 73 O TRP A 24 -13.049 -22.756 11.839 1.00 0.00 O ATOM 74 CB TRP A 24 -10.963 -24.533 12.199 1.00 0.00 C ATOM 75 CG TRP A 24 -10.155 -25.771 12.289 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.548 -26.653 13.191 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.079 -26.200 11.630 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.677 -27.615 13.052 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.744 -27.438 12.130 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.338 -25.626 10.629 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.657 -28.099 11.619 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.253 -26.289 10.122 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.906 -27.531 10.613 1.00 0.00 C ATOM 0 H TRP A 24 -10.831 -23.785 9.526 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.431 -25.709 11.174 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.328 -23.668 12.008 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.488 -24.343 13.135 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.383 -26.593 13.874 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.713 -28.459 13.624 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.609 -24.655 10.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.388 -29.070 12.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.667 -25.838 9.335 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.051 -28.055 10.211 1.00 0.00 H new ATOM 94 N PRO A 25 -13.998 -23.973 10.244 1.00 0.00 N ATOM 95 CA PRO A 25 -15.161 -23.076 10.126 1.00 0.00 C ATOM 96 C PRO A 25 -15.951 -23.064 11.441 1.00 0.00 C ATOM 97 O PRO A 25 -16.437 -22.038 11.863 1.00 0.00 O ATOM 98 CB PRO A 25 -15.854 -23.662 8.909 1.00 0.00 C ATOM 99 CG PRO A 25 -15.554 -25.165 8.967 1.00 0.00 C ATOM 100 CD PRO A 25 -14.072 -25.149 9.314 1.00 0.00 C ATOM 0 HA PRO A 25 -14.965 -22.014 9.980 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.927 -23.472 8.936 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.475 -23.219 7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.150 -25.676 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.750 -25.662 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.753 -26.074 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.445 -25.015 8.432 1.00 0.00 H new ATOM 108 N GLU A 26 -16.049 -24.197 12.080 1.00 0.00 N ATOM 109 CA GLU A 26 -16.804 -24.333 13.369 1.00 0.00 C ATOM 110 C GLU A 26 -16.381 -23.280 14.392 1.00 0.00 C ATOM 111 O GLU A 26 -17.152 -22.834 15.217 1.00 0.00 O ATOM 112 CB GLU A 26 -16.563 -25.729 13.955 1.00 0.00 C ATOM 113 CG GLU A 26 -15.046 -25.992 14.261 1.00 0.00 C ATOM 114 CD GLU A 26 -14.331 -26.708 13.136 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.662 -26.591 11.973 1.00 0.00 O ATOM 116 OE2 GLU A 26 -13.413 -27.386 13.512 1.00 0.00 O ATOM 0 H GLU A 26 -15.624 -25.065 11.755 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.862 -24.185 13.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.141 -25.840 14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.926 -26.482 13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.549 -25.041 14.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.962 -26.584 15.172 1.00 0.00 H new ATOM 123 N LEU A 27 -15.139 -22.905 14.309 1.00 0.00 N ATOM 124 CA LEU A 27 -14.587 -21.910 15.226 1.00 0.00 C ATOM 125 C LEU A 27 -14.359 -20.527 14.608 1.00 0.00 C ATOM 126 O LEU A 27 -13.451 -19.809 14.970 1.00 0.00 O ATOM 127 CB LEU A 27 -13.348 -22.659 15.787 1.00 0.00 C ATOM 128 CG LEU A 27 -12.254 -23.149 14.868 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.150 -22.140 14.760 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.659 -24.382 15.548 1.00 0.00 C ATOM 0 H LEU A 27 -14.476 -23.264 13.621 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.264 -21.600 16.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.880 -21.999 16.518 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.719 -23.527 16.333 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.660 -23.342 13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.376 -22.518 14.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.548 -21.206 14.362 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.723 -21.961 15.747 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.857 -24.787 14.930 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.260 -24.103 16.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.435 -25.137 15.676 1.00 0.00 H new ATOM 142 N VAL A 28 -15.202 -20.186 13.667 1.00 0.00 N ATOM 143 CA VAL A 28 -15.241 -18.787 13.117 1.00 0.00 C ATOM 144 C VAL A 28 -16.159 -18.016 14.109 1.00 0.00 C ATOM 145 O VAL A 28 -17.280 -18.426 14.339 1.00 0.00 O ATOM 146 CB VAL A 28 -15.821 -18.851 11.695 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.020 -17.423 11.129 1.00 0.00 C ATOM 148 CG2 VAL A 28 -14.775 -19.528 10.808 1.00 0.00 C ATOM 0 H VAL A 28 -15.877 -20.824 13.247 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.271 -18.296 13.036 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.772 -19.382 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.431 -17.485 10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.708 -16.871 11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.060 -16.907 11.098 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.151 -19.592 9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.855 -18.944 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.573 -20.531 11.184 1.00 0.00 H new ATOM 158 N GLY A 29 -15.694 -16.936 14.674 1.00 0.00 N ATOM 159 CA GLY A 29 -16.512 -16.213 15.723 1.00 0.00 C ATOM 160 C GLY A 29 -15.985 -16.577 17.125 1.00 0.00 C ATOM 161 O GLY A 29 -16.523 -16.170 18.136 1.00 0.00 O ATOM 0 H GLY A 29 -14.789 -16.515 14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.451 -15.136 15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.563 -16.489 15.635 1.00 0.00 H new ATOM 165 N LYS A 30 -14.933 -17.348 17.121 1.00 0.00 N ATOM 166 CA LYS A 30 -14.254 -17.787 18.375 1.00 0.00 C ATOM 167 C LYS A 30 -12.915 -17.110 18.509 1.00 0.00 C ATOM 168 O LYS A 30 -12.352 -16.738 17.510 1.00 0.00 O ATOM 169 CB LYS A 30 -13.945 -19.269 18.362 1.00 0.00 C ATOM 170 CG LYS A 30 -15.203 -20.137 18.520 1.00 0.00 C ATOM 171 CD LYS A 30 -15.737 -19.874 19.950 1.00 0.00 C ATOM 172 CE LYS A 30 -16.815 -20.853 20.372 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.197 -22.211 20.485 1.00 0.00 N ATOM 0 H LYS A 30 -14.500 -17.705 16.269 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.936 -17.536 19.187 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.447 -19.524 17.426 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.247 -19.498 19.167 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.951 -19.876 17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.967 -21.192 18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.909 -19.928 20.656 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.134 -18.860 20.002 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.249 -20.553 21.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.625 -20.864 19.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.939 -22.937 20.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.512 -22.346 19.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.710 -22.296 21.400 1.00 0.00 H new ATOM 187 N SER A 31 -12.430 -17.001 19.703 1.00 0.00 N ATOM 188 CA SER A 31 -11.106 -16.369 19.884 1.00 0.00 C ATOM 189 C SER A 31 -10.043 -17.376 19.711 1.00 0.00 C ATOM 190 O SER A 31 -10.135 -18.583 19.860 1.00 0.00 O ATOM 191 CB SER A 31 -11.100 -15.705 21.265 1.00 0.00 C ATOM 192 OG SER A 31 -11.811 -16.631 22.082 1.00 0.00 O ATOM 0 H SER A 31 -12.888 -17.319 20.557 1.00 0.00 H new ATOM 0 HA SER A 31 -10.912 -15.602 19.134 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.085 -15.545 21.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.588 -14.731 21.244 1.00 0.00 H new ATOM 0 HG SER A 31 -11.858 -16.289 22.999 1.00 0.00 H new ATOM 198 N VAL A 32 -8.995 -16.727 19.354 1.00 0.00 N ATOM 199 CA VAL A 32 -7.822 -17.442 18.897 1.00 0.00 C ATOM 200 C VAL A 32 -7.259 -18.616 19.701 1.00 0.00 C ATOM 201 O VAL A 32 -7.129 -19.701 19.171 1.00 0.00 O ATOM 202 CB VAL A 32 -6.810 -16.324 18.663 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.859 -16.086 19.851 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.993 -16.684 17.433 1.00 0.00 C ATOM 0 H VAL A 32 -8.908 -15.711 19.363 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.103 -18.027 18.021 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.369 -15.398 18.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.170 -15.277 19.609 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.439 -15.816 20.733 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.294 -16.996 20.053 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.260 -15.901 17.241 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.478 -17.630 17.602 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.655 -16.780 16.572 1.00 0.00 H new ATOM 214 N GLU A 33 -6.928 -18.436 20.953 1.00 0.00 N ATOM 215 CA GLU A 33 -6.346 -19.601 21.685 1.00 0.00 C ATOM 216 C GLU A 33 -7.308 -20.785 21.659 1.00 0.00 C ATOM 217 O GLU A 33 -6.882 -21.907 21.462 1.00 0.00 O ATOM 218 CB GLU A 33 -5.977 -19.122 23.127 1.00 0.00 C ATOM 219 CG GLU A 33 -4.787 -18.063 23.040 1.00 0.00 C ATOM 220 CD GLU A 33 -3.658 -18.458 22.067 1.00 0.00 C ATOM 221 OE1 GLU A 33 -3.092 -19.532 22.193 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.390 -17.646 21.194 1.00 0.00 O ATOM 0 H GLU A 33 -7.029 -17.571 21.484 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.437 -19.961 21.204 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.846 -18.672 23.607 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.679 -19.972 23.740 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.195 -17.100 22.734 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.363 -17.928 24.035 1.00 0.00 H new ATOM 229 N GLU A 34 -8.569 -20.501 21.821 1.00 0.00 N ATOM 230 CA GLU A 34 -9.585 -21.601 21.763 1.00 0.00 C ATOM 231 C GLU A 34 -9.450 -22.214 20.362 1.00 0.00 C ATOM 232 O GLU A 34 -9.253 -23.405 20.220 1.00 0.00 O ATOM 233 CB GLU A 34 -11.020 -21.087 21.906 1.00 0.00 C ATOM 234 CG GLU A 34 -11.921 -22.389 21.996 1.00 0.00 C ATOM 235 CD GLU A 34 -13.297 -22.214 21.350 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.380 -22.243 20.135 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.248 -22.060 22.095 1.00 0.00 O ATOM 0 H GLU A 34 -8.943 -19.567 21.990 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.406 -22.302 22.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.130 -20.470 22.797 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.304 -20.470 21.054 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.402 -23.217 21.512 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.050 -22.662 23.043 1.00 0.00 H new ATOM 244 N ALA A 35 -9.550 -21.382 19.357 1.00 0.00 N ATOM 245 CA ALA A 35 -9.392 -21.893 17.967 1.00 0.00 C ATOM 246 C ALA A 35 -8.195 -22.839 17.892 1.00 0.00 C ATOM 247 O ALA A 35 -8.329 -23.955 17.452 1.00 0.00 O ATOM 248 CB ALA A 35 -9.212 -20.694 17.073 1.00 0.00 C ATOM 0 H ALA A 35 -9.732 -20.382 19.439 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.265 -22.462 17.648 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.092 -21.024 16.041 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.088 -20.049 17.148 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.326 -20.140 17.382 1.00 0.00 H new ATOM 254 N LYS A 36 -7.050 -22.412 18.351 1.00 0.00 N ATOM 255 CA LYS A 36 -5.840 -23.286 18.279 1.00 0.00 C ATOM 256 C LYS A 36 -6.184 -24.568 18.973 1.00 0.00 C ATOM 257 O LYS A 36 -6.156 -25.643 18.424 1.00 0.00 O ATOM 258 CB LYS A 36 -4.622 -22.710 19.027 1.00 0.00 C ATOM 259 CG LYS A 36 -4.129 -21.419 18.445 1.00 0.00 C ATOM 260 CD LYS A 36 -3.070 -20.927 19.425 1.00 0.00 C ATOM 261 CE LYS A 36 -2.421 -19.655 18.935 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.562 -19.151 20.048 1.00 0.00 N ATOM 0 H LYS A 36 -6.898 -21.496 18.773 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.577 -23.394 17.227 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.887 -22.552 20.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.814 -23.441 19.010 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.708 -21.569 17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.939 -20.697 18.343 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.526 -20.754 20.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.310 -21.697 19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.825 -19.844 18.042 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.175 -18.916 18.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.933 -18.241 20.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.565 -19.839 20.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.589 -19.022 19.704 1.00 0.00 H new ATOM 276 N LYS A 37 -6.544 -24.387 20.199 1.00 0.00 N ATOM 277 CA LYS A 37 -6.842 -25.509 21.109 1.00 0.00 C ATOM 278 C LYS A 37 -7.762 -26.551 20.481 1.00 0.00 C ATOM 279 O LYS A 37 -7.600 -27.739 20.677 1.00 0.00 O ATOM 280 CB LYS A 37 -7.411 -24.840 22.368 1.00 0.00 C ATOM 281 CG LYS A 37 -8.186 -25.801 23.300 1.00 0.00 C ATOM 282 CD LYS A 37 -9.687 -25.802 22.819 1.00 0.00 C ATOM 283 CE LYS A 37 -10.502 -26.926 23.445 1.00 0.00 C ATOM 284 NZ LYS A 37 -9.977 -28.251 22.955 1.00 0.00 N ATOM 0 H LYS A 37 -6.648 -23.467 20.626 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.957 -26.098 21.348 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.592 -24.390 22.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.075 -24.029 22.067 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.766 -26.806 23.253 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.114 -25.473 24.337 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.145 -24.844 23.067 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.717 -25.898 21.734 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.438 -26.876 24.532 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.554 -26.818 23.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.637 -29.008 23.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.885 -28.226 21.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.046 -28.435 23.381 1.00 0.00 H new ATOM 298 N VAL A 38 -8.718 -26.046 19.768 1.00 0.00 N ATOM 299 CA VAL A 38 -9.662 -26.929 19.001 1.00 0.00 C ATOM 300 C VAL A 38 -8.938 -27.555 17.848 1.00 0.00 C ATOM 301 O VAL A 38 -8.886 -28.757 17.730 1.00 0.00 O ATOM 302 CB VAL A 38 -10.847 -26.176 18.337 1.00 0.00 C ATOM 303 CG1 VAL A 38 -11.645 -27.179 17.419 1.00 0.00 C ATOM 304 CG2 VAL A 38 -11.801 -25.476 19.305 1.00 0.00 C ATOM 0 H VAL A 38 -8.898 -25.046 19.675 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.038 -27.635 19.742 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.400 -25.370 17.755 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.479 -26.657 16.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.982 -27.572 16.648 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.026 -28.002 18.024 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.592 -24.981 18.742 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.241 -26.212 19.978 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.251 -24.736 19.886 1.00 0.00 H new ATOM 314 N ILE A 39 -8.384 -26.713 17.035 1.00 0.00 N ATOM 315 CA ILE A 39 -7.701 -27.145 15.792 1.00 0.00 C ATOM 316 C ILE A 39 -6.743 -28.293 16.072 1.00 0.00 C ATOM 317 O ILE A 39 -6.589 -29.218 15.310 1.00 0.00 O ATOM 318 CB ILE A 39 -7.018 -25.893 15.267 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.102 -24.935 14.757 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.205 -26.257 14.082 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.479 -23.658 14.204 1.00 0.00 C ATOM 0 H ILE A 39 -8.376 -25.704 17.186 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.385 -27.544 15.043 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.410 -25.448 16.054 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.690 -25.424 13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.787 -24.689 15.568 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.709 -25.367 13.694 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.456 -26.995 14.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.852 -26.676 13.312 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.266 -22.994 13.848 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.912 -23.160 14.990 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.813 -23.906 13.378 1.00 0.00 H new ATOM 333 N LEU A 40 -6.085 -28.199 17.180 1.00 0.00 N ATOM 334 CA LEU A 40 -5.175 -29.265 17.623 1.00 0.00 C ATOM 335 C LEU A 40 -5.867 -30.643 17.652 1.00 0.00 C ATOM 336 O LEU A 40 -5.231 -31.633 17.358 1.00 0.00 O ATOM 337 CB LEU A 40 -4.656 -28.910 19.013 1.00 0.00 C ATOM 338 CG LEU A 40 -3.914 -27.578 19.110 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.062 -27.570 20.381 1.00 0.00 C ATOM 340 CD2 LEU A 40 -3.056 -27.238 17.920 1.00 0.00 C ATOM 0 H LEU A 40 -6.144 -27.402 17.814 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.352 -29.338 16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.499 -28.889 19.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.989 -29.704 19.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.685 -26.808 19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.530 -26.622 20.456 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.706 -27.695 21.252 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.343 -28.388 20.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.571 -26.275 18.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.297 -28.009 17.787 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.678 -27.184 17.027 1.00 0.00 H new ATOM 352 N GLN A 41 -7.126 -30.698 18.008 1.00 0.00 N ATOM 353 CA GLN A 41 -7.820 -32.045 18.006 1.00 0.00 C ATOM 354 C GLN A 41 -7.859 -32.630 16.577 1.00 0.00 C ATOM 355 O GLN A 41 -7.572 -33.781 16.306 1.00 0.00 O ATOM 356 CB GLN A 41 -9.286 -31.931 18.521 1.00 0.00 C ATOM 357 CG GLN A 41 -9.375 -31.925 20.075 1.00 0.00 C ATOM 358 CD GLN A 41 -8.908 -30.612 20.678 1.00 0.00 C ATOM 359 OE1 GLN A 41 -9.675 -29.759 21.081 1.00 0.00 O ATOM 360 NE2 GLN A 41 -7.641 -30.393 20.769 1.00 0.00 N ATOM 0 H GLN A 41 -7.697 -29.903 18.293 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.252 -32.697 18.669 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.734 -31.017 18.131 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.870 -32.764 18.130 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.405 -32.114 20.378 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.771 -32.740 20.474 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.977 -31.093 20.438 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.302 -29.519 21.172 1.00 0.00 H new ATOM 369 N ASP A 42 -8.244 -31.728 15.732 1.00 0.00 N ATOM 370 CA ASP A 42 -8.421 -31.913 14.266 1.00 0.00 C ATOM 371 C ASP A 42 -7.080 -32.274 13.557 1.00 0.00 C ATOM 372 O ASP A 42 -7.004 -33.215 12.786 1.00 0.00 O ATOM 373 CB ASP A 42 -9.049 -30.565 13.788 1.00 0.00 C ATOM 374 CG ASP A 42 -10.346 -30.180 14.541 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.430 -30.373 15.747 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.166 -29.678 13.773 1.00 0.00 O ATOM 0 H ASP A 42 -8.464 -30.778 16.030 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.065 -32.756 14.016 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.316 -29.768 13.914 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.265 -30.633 12.722 1.00 0.00 H new ATOM 381 N LYS A 43 -6.081 -31.485 13.850 1.00 0.00 N ATOM 382 CA LYS A 43 -4.708 -31.660 13.279 1.00 0.00 C ATOM 383 C LYS A 43 -3.661 -31.744 14.435 1.00 0.00 C ATOM 384 O LYS A 43 -3.026 -30.752 14.737 1.00 0.00 O ATOM 385 CB LYS A 43 -4.407 -30.448 12.370 1.00 0.00 C ATOM 386 CG LYS A 43 -4.173 -30.842 10.915 1.00 0.00 C ATOM 387 CD LYS A 43 -3.630 -29.572 10.199 1.00 0.00 C ATOM 388 CE LYS A 43 -2.163 -29.329 10.538 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.366 -30.401 9.891 1.00 0.00 N ATOM 0 H LYS A 43 -6.163 -30.693 14.488 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.652 -32.582 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.239 -29.746 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.526 -29.927 12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.459 -31.663 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.098 -31.184 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.743 -29.684 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.222 -28.705 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.846 -28.349 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.013 -29.340 11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.439 -30.022 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.230 -31.185 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.869 -30.748 9.049 1.00 0.00 H new ATOM 403 N PRO A 44 -3.498 -32.890 15.056 1.00 0.00 N ATOM 404 CA PRO A 44 -2.522 -33.068 16.174 1.00 0.00 C ATOM 405 C PRO A 44 -1.305 -32.106 16.246 1.00 0.00 C ATOM 406 O PRO A 44 -1.120 -31.484 17.274 1.00 0.00 O ATOM 407 CB PRO A 44 -2.179 -34.559 16.035 1.00 0.00 C ATOM 408 CG PRO A 44 -3.601 -35.133 15.776 1.00 0.00 C ATOM 409 CD PRO A 44 -4.225 -34.159 14.748 1.00 0.00 C ATOM 0 HA PRO A 44 -2.952 -32.786 17.135 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.493 -34.755 15.211 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.721 -34.968 16.935 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.555 -36.149 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.188 -35.172 16.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.061 -34.486 13.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.302 -34.057 14.882 1.00 0.00 H new ATOM 417 N GLU A 45 -0.518 -31.975 15.204 1.00 0.00 N ATOM 418 CA GLU A 45 0.671 -31.080 15.237 1.00 0.00 C ATOM 419 C GLU A 45 0.469 -29.610 14.792 1.00 0.00 C ATOM 420 O GLU A 45 1.425 -28.886 14.563 1.00 0.00 O ATOM 421 CB GLU A 45 1.728 -31.812 14.384 1.00 0.00 C ATOM 422 CG GLU A 45 1.310 -32.289 12.921 1.00 0.00 C ATOM 423 CD GLU A 45 0.521 -31.319 12.053 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.578 -31.014 12.469 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.977 -30.923 10.996 1.00 0.00 O ATOM 0 H GLU A 45 -0.657 -32.462 14.318 1.00 0.00 H new ATOM 0 HA GLU A 45 0.965 -30.927 16.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.592 -31.155 14.287 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.056 -32.690 14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.220 -32.554 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.722 -33.201 13.022 1.00 0.00 H new ATOM 432 N ALA A 46 -0.758 -29.178 14.681 1.00 0.00 N ATOM 433 CA ALA A 46 -1.007 -27.764 14.282 1.00 0.00 C ATOM 434 C ALA A 46 -0.398 -26.728 15.273 1.00 0.00 C ATOM 435 O ALA A 46 -1.042 -26.261 16.197 1.00 0.00 O ATOM 436 CB ALA A 46 -2.524 -27.581 14.159 1.00 0.00 C ATOM 0 H ALA A 46 -1.593 -29.739 14.848 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.509 -27.574 13.331 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.744 -26.554 13.867 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.913 -28.264 13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.995 -27.795 15.118 1.00 0.00 H new ATOM 442 N GLN A 47 0.840 -26.370 15.063 1.00 0.00 N ATOM 443 CA GLN A 47 1.514 -25.370 15.963 1.00 0.00 C ATOM 444 C GLN A 47 1.084 -23.975 15.451 1.00 0.00 C ATOM 445 O GLN A 47 1.815 -23.200 14.861 1.00 0.00 O ATOM 446 CB GLN A 47 3.058 -25.607 15.883 1.00 0.00 C ATOM 447 CG GLN A 47 3.583 -25.709 14.425 1.00 0.00 C ATOM 448 CD GLN A 47 5.103 -25.556 14.414 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.609 -24.462 14.277 1.00 0.00 O ATOM 450 NE2 GLN A 47 5.880 -26.578 14.553 1.00 0.00 N ATOM 0 H GLN A 47 1.422 -26.725 14.305 1.00 0.00 H new ATOM 0 HA GLN A 47 1.234 -25.462 17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.572 -24.791 16.392 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.307 -26.524 16.418 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.301 -26.669 13.993 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.125 -24.935 13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.481 -27.510 14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.892 -26.454 14.546 1.00 0.00 H new ATOM 459 N ILE A 48 -0.164 -23.743 15.745 1.00 0.00 N ATOM 460 CA ILE A 48 -0.904 -22.524 15.290 1.00 0.00 C ATOM 461 C ILE A 48 -0.568 -21.207 15.972 1.00 0.00 C ATOM 462 O ILE A 48 -0.232 -21.149 17.138 1.00 0.00 O ATOM 463 CB ILE A 48 -2.342 -22.847 15.478 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.686 -24.093 14.663 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.291 -21.679 15.117 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.932 -24.676 15.210 1.00 0.00 C ATOM 0 H ILE A 48 -0.730 -24.377 16.309 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.608 -22.330 14.259 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.496 -23.033 16.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.817 -23.835 13.612 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.873 -24.817 14.715 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.324 -21.986 15.279 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.066 -20.819 15.747 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.153 -21.408 14.070 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.196 -25.568 14.642 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.780 -24.943 16.256 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.738 -23.946 15.136 1.00 0.00 H new ATOM 478 N ILE A 49 -0.709 -20.180 15.182 1.00 0.00 N ATOM 479 CA ILE A 49 -0.409 -18.807 15.680 1.00 0.00 C ATOM 480 C ILE A 49 -1.617 -17.852 15.569 1.00 0.00 C ATOM 481 O ILE A 49 -2.574 -18.087 14.850 1.00 0.00 O ATOM 482 CB ILE A 49 0.847 -18.353 14.880 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.110 -18.251 15.784 1.00 0.00 C ATOM 484 CG2 ILE A 49 0.662 -16.984 14.292 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.536 -19.619 16.358 1.00 0.00 C ATOM 0 H ILE A 49 -1.019 -20.231 14.212 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.203 -18.795 16.750 1.00 0.00 H new ATOM 0 HB ILE A 49 0.978 -19.109 14.105 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.933 -17.830 15.207 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.911 -17.562 16.605 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.559 -16.701 13.741 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.193 -16.991 13.616 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.486 -16.265 15.092 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.421 -19.492 16.981 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.725 -20.030 16.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.763 -20.302 15.540 1.00 0.00 H new ATOM 497 N VAL A 50 -1.480 -16.797 16.328 1.00 0.00 N ATOM 498 CA VAL A 50 -2.491 -15.709 16.376 1.00 0.00 C ATOM 499 C VAL A 50 -2.098 -14.752 15.258 1.00 0.00 C ATOM 500 O VAL A 50 -0.952 -14.387 15.071 1.00 0.00 O ATOM 501 CB VAL A 50 -2.436 -15.021 17.766 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.028 -14.484 18.119 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.403 -13.800 17.770 1.00 0.00 C ATOM 0 H VAL A 50 -0.677 -16.643 16.938 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.512 -16.065 16.240 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.715 -15.778 18.499 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.054 -14.014 19.102 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.316 -15.309 18.130 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.721 -13.750 17.374 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.369 -13.312 18.744 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.099 -13.092 16.999 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.419 -14.140 17.570 1.00 0.00 H new ATOM 513 N LEU A 51 -3.102 -14.378 14.523 1.00 0.00 N ATOM 514 CA LEU A 51 -2.869 -13.492 13.340 1.00 0.00 C ATOM 515 C LEU A 51 -4.003 -12.435 13.184 1.00 0.00 C ATOM 516 O LEU A 51 -5.116 -12.835 12.904 1.00 0.00 O ATOM 517 CB LEU A 51 -2.730 -14.524 12.172 1.00 0.00 C ATOM 518 CG LEU A 51 -1.254 -14.932 11.878 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.206 -16.331 11.158 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.598 -13.809 10.980 1.00 0.00 C ATOM 0 H LEU A 51 -4.074 -14.643 14.684 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.986 -12.855 13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.304 -15.418 12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.169 -14.100 11.269 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.696 -15.025 12.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.169 -16.603 10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.662 -17.086 11.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.753 -16.275 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.436 -14.075 10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.154 -13.719 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.624 -12.857 11.511 1.00 0.00 H new ATOM 532 N PRO A 52 -3.779 -11.145 13.348 1.00 0.00 N ATOM 533 CA PRO A 52 -4.902 -10.168 13.193 1.00 0.00 C ATOM 534 C PRO A 52 -5.184 -9.999 11.679 1.00 0.00 C ATOM 535 O PRO A 52 -4.294 -9.762 10.883 1.00 0.00 O ATOM 536 CB PRO A 52 -4.368 -8.929 13.919 1.00 0.00 C ATOM 537 CG PRO A 52 -2.865 -8.961 13.527 1.00 0.00 C ATOM 538 CD PRO A 52 -2.489 -10.468 13.683 1.00 0.00 C ATOM 0 HA PRO A 52 -5.868 -10.447 13.614 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.859 -8.015 13.585 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.512 -8.992 14.998 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.707 -8.610 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.265 -8.326 14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.686 -10.761 13.006 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.155 -10.703 14.694 1.00 0.00 H new ATOM 546 N VAL A 53 -6.430 -10.122 11.327 1.00 0.00 N ATOM 547 CA VAL A 53 -6.890 -10.062 9.912 1.00 0.00 C ATOM 548 C VAL A 53 -6.235 -9.047 9.008 1.00 0.00 C ATOM 549 O VAL A 53 -6.089 -7.874 9.285 1.00 0.00 O ATOM 550 CB VAL A 53 -8.395 -9.879 9.979 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.957 -9.338 8.645 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.985 -11.273 10.148 1.00 0.00 C ATOM 0 H VAL A 53 -7.186 -10.269 11.996 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.584 -10.988 9.426 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.638 -9.186 10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.037 -9.218 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.501 -8.373 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.730 -10.040 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.071 -11.204 10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.703 -11.893 9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.603 -11.721 11.066 1.00 0.00 H new ATOM 562 N GLY A 54 -5.861 -9.631 7.904 1.00 0.00 N ATOM 563 CA GLY A 54 -5.129 -8.841 6.834 1.00 0.00 C ATOM 564 C GLY A 54 -3.660 -9.270 6.742 1.00 0.00 C ATOM 565 O GLY A 54 -3.098 -9.389 5.673 1.00 0.00 O ATOM 0 H GLY A 54 -6.022 -10.614 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.616 -8.990 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.187 -7.776 7.060 1.00 0.00 H new ATOM 569 N THR A 55 -3.086 -9.484 7.894 1.00 0.00 N ATOM 570 CA THR A 55 -1.681 -9.953 8.069 1.00 0.00 C ATOM 571 C THR A 55 -1.429 -11.118 7.114 1.00 0.00 C ATOM 572 O THR A 55 -2.167 -12.081 7.138 1.00 0.00 O ATOM 573 CB THR A 55 -1.699 -10.254 9.500 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.857 -8.987 10.115 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.505 -10.704 10.088 1.00 0.00 C ATOM 0 H THR A 55 -3.571 -9.342 8.780 1.00 0.00 H new ATOM 0 HA THR A 55 -0.863 -9.275 7.825 1.00 0.00 H new ATOM 0 HB THR A 55 -2.450 -11.034 9.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.773 -8.898 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.669 -10.887 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.188 -11.629 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.269 -9.947 9.965 1.00 0.00 H new ATOM 583 N ILE A 56 -0.410 -11.025 6.294 1.00 0.00 N ATOM 584 CA ILE A 56 -0.176 -12.134 5.294 1.00 0.00 C ATOM 585 C ILE A 56 0.357 -13.450 5.913 1.00 0.00 C ATOM 586 O ILE A 56 1.019 -13.474 6.934 1.00 0.00 O ATOM 587 CB ILE A 56 0.792 -11.562 4.205 1.00 0.00 C ATOM 588 CG1 ILE A 56 0.018 -10.398 3.512 1.00 0.00 C ATOM 589 CG2 ILE A 56 1.110 -12.645 3.124 1.00 0.00 C ATOM 590 CD1 ILE A 56 0.867 -9.713 2.430 1.00 0.00 C ATOM 0 H ILE A 56 0.258 -10.255 6.266 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.132 -12.429 4.861 1.00 0.00 H new ATOM 0 HB ILE A 56 1.730 -11.241 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.897 -10.786 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.279 -9.663 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.784 -12.226 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.583 -13.505 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.185 -12.960 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.292 -8.908 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.770 -9.302 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.142 -10.442 1.668 1.00 0.00 H new ATOM 602 N VAL A 57 0.031 -14.527 5.236 1.00 0.00 N ATOM 603 CA VAL A 57 0.373 -15.917 5.727 1.00 0.00 C ATOM 604 C VAL A 57 1.099 -17.009 4.885 1.00 0.00 C ATOM 605 O VAL A 57 2.075 -17.637 5.282 1.00 0.00 O ATOM 606 CB VAL A 57 -0.980 -16.506 6.290 1.00 0.00 C ATOM 607 CG1 VAL A 57 -0.890 -16.304 7.821 1.00 0.00 C ATOM 608 CG2 VAL A 57 -2.320 -15.769 5.782 1.00 0.00 C ATOM 0 H VAL A 57 -0.467 -14.508 4.346 1.00 0.00 H new ATOM 0 HA VAL A 57 1.199 -15.709 6.408 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.069 -17.537 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.795 -16.688 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.023 -16.840 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.788 -15.242 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.191 -16.250 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.294 -14.721 6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.383 -15.837 4.696 1.00 0.00 H new ATOM 618 N THR A 58 0.565 -17.215 3.731 1.00 0.00 N ATOM 619 CA THR A 58 1.085 -18.216 2.786 1.00 0.00 C ATOM 620 C THR A 58 2.345 -17.997 1.925 1.00 0.00 C ATOM 621 O THR A 58 2.372 -17.347 0.900 1.00 0.00 O ATOM 622 CB THR A 58 -0.070 -18.595 1.870 1.00 0.00 C ATOM 623 OG1 THR A 58 -1.298 -18.016 2.296 1.00 0.00 O ATOM 624 CG2 THR A 58 -0.286 -20.084 1.877 1.00 0.00 C ATOM 0 H THR A 58 -0.250 -16.705 3.389 1.00 0.00 H new ATOM 0 HA THR A 58 1.474 -18.972 3.469 1.00 0.00 H new ATOM 0 HB THR A 58 0.201 -18.230 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.015 -18.281 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.116 -20.334 1.216 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.618 -20.584 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.517 -20.413 2.890 1.00 0.00 H new ATOM 632 N MET A 59 3.368 -18.596 2.460 1.00 0.00 N ATOM 633 CA MET A 59 4.714 -18.683 1.815 1.00 0.00 C ATOM 634 C MET A 59 4.607 -20.040 1.108 1.00 0.00 C ATOM 635 O MET A 59 3.806 -20.280 0.228 1.00 0.00 O ATOM 636 CB MET A 59 5.805 -18.629 2.948 1.00 0.00 C ATOM 637 CG MET A 59 5.832 -17.283 3.695 1.00 0.00 C ATOM 638 SD MET A 59 6.776 -17.269 5.242 1.00 0.00 S ATOM 639 CE MET A 59 8.450 -17.525 4.598 1.00 0.00 C ATOM 0 H MET A 59 3.325 -19.055 3.370 1.00 0.00 H new ATOM 0 HA MET A 59 4.992 -17.888 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.619 -19.431 3.662 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.786 -18.814 2.509 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.247 -16.526 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.806 -16.988 3.913 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.162 -17.525 5.424 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.498 -18.482 4.079 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.699 -16.723 3.904 1.00 0.00 H new ATOM 649 N GLU A 60 5.470 -20.864 1.565 1.00 0.00 N ATOM 650 CA GLU A 60 5.532 -22.286 1.214 1.00 0.00 C ATOM 651 C GLU A 60 4.385 -22.984 2.013 1.00 0.00 C ATOM 652 O GLU A 60 3.516 -22.345 2.585 1.00 0.00 O ATOM 653 CB GLU A 60 6.981 -22.654 1.578 1.00 0.00 C ATOM 654 CG GLU A 60 7.251 -22.574 3.112 1.00 0.00 C ATOM 655 CD GLU A 60 6.761 -23.802 3.893 1.00 0.00 C ATOM 656 OE1 GLU A 60 6.678 -24.863 3.304 1.00 0.00 O ATOM 657 OE2 GLU A 60 6.519 -23.561 5.055 1.00 0.00 O ATOM 0 H GLU A 60 6.197 -20.585 2.224 1.00 0.00 H new ATOM 0 HA GLU A 60 5.359 -22.584 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.195 -23.664 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.664 -21.984 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.322 -22.454 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.765 -21.684 3.511 1.00 0.00 H new ATOM 664 N TYR A 61 4.419 -24.280 2.048 1.00 0.00 N ATOM 665 CA TYR A 61 3.290 -25.026 2.652 1.00 0.00 C ATOM 666 C TYR A 61 3.366 -25.046 4.181 1.00 0.00 C ATOM 667 O TYR A 61 4.076 -25.830 4.780 1.00 0.00 O ATOM 668 CB TYR A 61 3.308 -26.475 2.051 1.00 0.00 C ATOM 669 CG TYR A 61 1.956 -27.185 2.169 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.845 -26.648 2.774 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.869 -28.435 1.623 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.332 -27.351 2.828 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.682 -29.152 1.672 1.00 0.00 C ATOM 674 CZ TYR A 61 -0.432 -28.605 2.282 1.00 0.00 C ATOM 675 OH TYR A 61 -1.641 -29.268 2.377 1.00 0.00 O ATOM 0 H TYR A 61 5.179 -24.855 1.685 1.00 0.00 H new ATOM 0 HA TYR A 61 2.349 -24.530 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.596 -26.424 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.069 -27.065 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.899 -25.662 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.735 -28.870 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.193 -26.910 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.628 -30.138 1.234 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.568 -30.145 1.946 1.00 0.00 H new ATOM 685 N ARG A 62 2.615 -24.164 4.798 1.00 0.00 N ATOM 686 CA ARG A 62 2.585 -24.142 6.299 1.00 0.00 C ATOM 687 C ARG A 62 1.561 -25.136 6.797 1.00 0.00 C ATOM 688 O ARG A 62 0.608 -24.879 7.510 1.00 0.00 O ATOM 689 CB ARG A 62 2.257 -22.698 6.796 1.00 0.00 C ATOM 690 CG ARG A 62 3.349 -22.250 7.822 1.00 0.00 C ATOM 691 CD ARG A 62 4.788 -22.406 7.337 1.00 0.00 C ATOM 692 NE ARG A 62 4.861 -21.746 6.013 1.00 0.00 N ATOM 693 CZ ARG A 62 5.588 -20.727 5.855 1.00 0.00 C ATOM 694 NH1 ARG A 62 6.819 -20.947 5.706 1.00 0.00 N ATOM 695 NH2 ARG A 62 5.023 -19.597 5.863 1.00 0.00 N ATOM 0 H ARG A 62 2.029 -23.468 4.337 1.00 0.00 H new ATOM 0 HA ARG A 62 3.560 -24.426 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.227 -22.008 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.272 -22.675 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.179 -21.204 8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.225 -22.827 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.485 -21.947 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.059 -23.459 7.261 1.00 0.00 H new ATOM 0 HE ARG A 62 4.323 -22.115 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.171 -21.904 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.464 -20.168 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.014 -19.532 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.576 -18.749 5.738 1.00 0.00 H new ATOM 709 N ILE A 63 1.861 -26.316 6.368 1.00 0.00 N ATOM 710 CA ILE A 63 1.014 -27.468 6.709 1.00 0.00 C ATOM 711 C ILE A 63 1.068 -27.950 8.166 1.00 0.00 C ATOM 712 O ILE A 63 0.269 -28.774 8.547 1.00 0.00 O ATOM 713 CB ILE A 63 1.409 -28.534 5.644 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.565 -29.782 5.712 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.879 -28.924 5.796 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.930 -29.442 5.582 1.00 0.00 C ATOM 0 H ILE A 63 2.670 -26.533 5.786 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.043 -27.206 6.668 1.00 0.00 H new ATOM 0 HB ILE A 63 1.235 -28.068 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.857 -30.467 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.744 -30.296 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.137 -29.669 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.505 -28.042 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.044 -29.339 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.517 -30.359 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.224 -28.776 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.109 -28.950 4.626 1.00 0.00 H new ATOM 728 N ASP A 64 1.974 -27.446 8.953 1.00 0.00 N ATOM 729 CA ASP A 64 2.046 -27.782 10.410 1.00 0.00 C ATOM 730 C ASP A 64 1.320 -26.660 11.205 1.00 0.00 C ATOM 731 O ASP A 64 1.197 -26.684 12.414 1.00 0.00 O ATOM 732 CB ASP A 64 3.537 -27.838 10.833 1.00 0.00 C ATOM 733 CG ASP A 64 4.162 -26.438 10.896 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.762 -25.579 10.121 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.035 -26.260 11.727 1.00 0.00 O ATOM 0 H ASP A 64 2.693 -26.793 8.641 1.00 0.00 H new ATOM 0 HA ASP A 64 1.574 -28.744 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.621 -28.318 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.093 -28.453 10.126 1.00 0.00 H new ATOM 740 N ARG A 65 0.855 -25.690 10.469 1.00 0.00 N ATOM 741 CA ARG A 65 0.257 -24.458 11.037 1.00 0.00 C ATOM 742 C ARG A 65 -1.135 -24.075 10.537 1.00 0.00 C ATOM 743 O ARG A 65 -1.427 -24.284 9.376 1.00 0.00 O ATOM 744 CB ARG A 65 1.297 -23.477 10.676 1.00 0.00 C ATOM 745 CG ARG A 65 0.970 -21.977 11.006 1.00 0.00 C ATOM 746 CD ARG A 65 1.901 -21.419 12.105 1.00 0.00 C ATOM 747 NE ARG A 65 3.296 -21.869 11.707 1.00 0.00 N ATOM 748 CZ ARG A 65 4.104 -22.568 12.437 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.509 -22.164 13.570 1.00 0.00 N ATOM 750 NH2 ARG A 65 4.497 -23.683 11.964 1.00 0.00 N ATOM 0 H ARG A 65 0.868 -25.707 9.449 1.00 0.00 H new ATOM 0 HA ARG A 65 0.037 -24.553 12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.219 -23.749 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.491 -23.559 9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.071 -21.375 10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.067 -21.893 11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.838 -20.332 12.161 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.627 -21.805 13.087 1.00 0.00 H new ATOM 0 HE ARG A 65 3.625 -21.596 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.197 -21.262 13.931 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.146 -22.741 14.119 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.174 -23.990 11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.135 -24.269 12.503 1.00 0.00 H new ATOM 764 N VAL A 66 -1.956 -23.523 11.400 1.00 0.00 N ATOM 765 CA VAL A 66 -3.263 -23.018 10.916 1.00 0.00 C ATOM 766 C VAL A 66 -3.149 -21.520 11.202 1.00 0.00 C ATOM 767 O VAL A 66 -2.504 -21.117 12.157 1.00 0.00 O ATOM 768 CB VAL A 66 -4.433 -23.662 11.700 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.776 -23.538 11.001 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.289 -25.133 11.660 1.00 0.00 C ATOM 0 H VAL A 66 -1.776 -23.405 12.397 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.469 -23.247 9.870 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.402 -23.174 12.674 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.547 -24.011 11.608 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.019 -22.484 10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.727 -24.029 10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.109 -25.594 12.210 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.310 -25.473 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.341 -25.418 12.116 1.00 0.00 H new ATOM 780 N ARG A 67 -3.728 -20.726 10.365 1.00 0.00 N ATOM 781 CA ARG A 67 -3.721 -19.268 10.674 1.00 0.00 C ATOM 782 C ARG A 67 -5.081 -18.902 11.176 1.00 0.00 C ATOM 783 O ARG A 67 -6.096 -19.237 10.583 1.00 0.00 O ATOM 784 CB ARG A 67 -3.415 -18.418 9.473 1.00 0.00 C ATOM 785 CG ARG A 67 -4.296 -18.877 8.353 1.00 0.00 C ATOM 786 CD ARG A 67 -3.427 -19.183 7.162 1.00 0.00 C ATOM 787 NE ARG A 67 -2.351 -20.097 7.676 1.00 0.00 N ATOM 788 CZ ARG A 67 -1.193 -20.092 7.148 1.00 0.00 C ATOM 789 NH1 ARG A 67 -0.378 -19.193 7.526 1.00 0.00 N ATOM 790 NH2 ARG A 67 -0.924 -20.966 6.281 1.00 0.00 N ATOM 0 H ARG A 67 -4.196 -21.003 9.502 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.940 -19.083 11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.594 -17.366 9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.365 -18.511 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.858 -19.762 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.025 -18.106 8.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.002 -19.661 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.001 -18.272 6.742 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.550 -20.726 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.662 -18.510 8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.560 -19.155 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.627 -21.656 6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.003 -20.983 5.843 1.00 0.00 H new ATOM 804 N LEU A 68 -5.040 -18.221 12.274 1.00 0.00 N ATOM 805 CA LEU A 68 -6.308 -17.787 12.870 1.00 0.00 C ATOM 806 C LEU A 68 -6.475 -16.312 12.557 1.00 0.00 C ATOM 807 O LEU A 68 -6.131 -15.477 13.369 1.00 0.00 O ATOM 808 CB LEU A 68 -6.187 -18.108 14.364 1.00 0.00 C ATOM 809 CG LEU A 68 -5.762 -19.594 14.558 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.914 -19.941 16.024 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.580 -20.582 13.729 1.00 0.00 C ATOM 0 H LEU A 68 -4.194 -17.951 12.776 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.197 -18.285 12.484 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.454 -17.448 14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.140 -17.926 14.862 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.731 -19.682 14.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.622 -20.979 16.184 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.277 -19.288 16.620 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.953 -19.806 16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.226 -21.596 13.917 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.631 -20.507 14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.467 -20.349 12.670 1.00 0.00 H new ATOM 823 N PHE A 69 -6.976 -16.035 11.371 1.00 0.00 N ATOM 824 CA PHE A 69 -7.229 -14.596 11.082 1.00 0.00 C ATOM 825 C PHE A 69 -8.437 -14.154 11.873 1.00 0.00 C ATOM 826 O PHE A 69 -9.610 -14.350 11.581 1.00 0.00 O ATOM 827 CB PHE A 69 -7.396 -14.374 9.492 1.00 0.00 C ATOM 828 CG PHE A 69 -5.954 -14.345 9.170 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.307 -13.247 9.649 1.00 0.00 C ATOM 830 CD2 PHE A 69 -5.275 -15.324 8.516 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.991 -13.103 9.498 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.956 -15.180 8.366 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.290 -14.092 8.836 1.00 0.00 C ATOM 0 H PHE A 69 -7.207 -16.702 10.635 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.385 -13.979 11.390 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.932 -15.184 8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.913 -13.449 9.238 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.870 -12.480 10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.787 -16.193 8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.483 -12.232 9.885 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.401 -15.952 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.223 -14.002 8.693 1.00 0.00 H new ATOM 843 N VAL A 70 -7.983 -13.524 12.925 1.00 0.00 N ATOM 844 CA VAL A 70 -8.912 -13.005 13.979 1.00 0.00 C ATOM 845 C VAL A 70 -9.079 -11.527 13.771 1.00 0.00 C ATOM 846 O VAL A 70 -8.368 -10.930 12.997 1.00 0.00 O ATOM 847 CB VAL A 70 -8.352 -13.215 15.403 1.00 0.00 C ATOM 848 CG1 VAL A 70 -8.104 -14.671 15.726 1.00 0.00 C ATOM 849 CG2 VAL A 70 -7.050 -12.425 15.652 1.00 0.00 C ATOM 0 H VAL A 70 -6.995 -13.344 13.103 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.854 -13.547 13.893 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.131 -12.834 16.064 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.711 -14.757 16.739 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.040 -15.225 15.652 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.382 -15.082 15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.701 -12.610 16.668 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.288 -12.747 14.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.240 -11.360 15.522 1.00 0.00 H new ATOM 859 N ASP A 71 -9.979 -10.928 14.472 1.00 0.00 N ATOM 860 CA ASP A 71 -10.211 -9.498 14.201 1.00 0.00 C ATOM 861 C ASP A 71 -9.455 -8.607 15.185 1.00 0.00 C ATOM 862 O ASP A 71 -8.334 -8.834 15.604 1.00 0.00 O ATOM 863 CB ASP A 71 -11.744 -9.315 14.263 1.00 0.00 C ATOM 864 CG ASP A 71 -12.229 -9.232 15.701 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.951 -10.168 16.437 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.824 -8.192 15.940 1.00 0.00 O ATOM 0 H ASP A 71 -10.552 -11.350 15.203 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.829 -9.196 13.226 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.027 -8.408 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.233 -10.148 13.759 1.00 0.00 H new ATOM 871 N LYS A 72 -10.196 -7.602 15.502 1.00 0.00 N ATOM 872 CA LYS A 72 -9.780 -6.534 16.447 1.00 0.00 C ATOM 873 C LYS A 72 -10.081 -6.924 17.905 1.00 0.00 C ATOM 874 O LYS A 72 -9.794 -6.211 18.844 1.00 0.00 O ATOM 875 CB LYS A 72 -10.542 -5.276 15.930 1.00 0.00 C ATOM 876 CG LYS A 72 -10.510 -4.035 16.869 1.00 0.00 C ATOM 877 CD LYS A 72 -11.684 -3.108 16.394 1.00 0.00 C ATOM 878 CE LYS A 72 -11.874 -1.872 17.278 1.00 0.00 C ATOM 879 NZ LYS A 72 -10.763 -0.907 16.998 1.00 0.00 N ATOM 0 H LYS A 72 -11.133 -7.465 15.123 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.706 -6.350 16.470 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.122 -4.990 14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.582 -5.550 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.641 -4.329 17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.552 -3.519 16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.494 -2.788 15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.610 -3.683 16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.839 -1.407 17.075 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.872 -2.156 18.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.880 -0.062 17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.850 -1.357 17.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.787 -0.631 15.995 1.00 0.00 H new ATOM 893 N LEU A 73 -10.645 -8.078 17.999 1.00 0.00 N ATOM 894 CA LEU A 73 -11.082 -8.736 19.273 1.00 0.00 C ATOM 895 C LEU A 73 -10.682 -10.235 19.279 1.00 0.00 C ATOM 896 O LEU A 73 -11.429 -11.068 19.749 1.00 0.00 O ATOM 897 CB LEU A 73 -12.585 -8.575 19.307 1.00 0.00 C ATOM 898 CG LEU A 73 -13.017 -7.111 19.269 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.525 -7.071 18.977 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.777 -6.475 20.648 1.00 0.00 C ATOM 0 H LEU A 73 -10.842 -8.649 17.177 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.610 -8.289 20.148 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.023 -9.102 18.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.977 -9.043 20.210 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.453 -6.571 18.508 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.862 -6.035 18.944 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.722 -7.547 18.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.062 -7.602 19.763 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.084 -5.429 20.625 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.359 -7.008 21.400 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.718 -6.536 20.898 1.00 0.00 H new ATOM 912 N ASP A 74 -9.515 -10.502 18.759 1.00 0.00 N ATOM 913 CA ASP A 74 -8.958 -11.876 18.620 1.00 0.00 C ATOM 914 C ASP A 74 -9.941 -13.005 18.255 1.00 0.00 C ATOM 915 O ASP A 74 -9.628 -14.166 18.422 1.00 0.00 O ATOM 916 CB ASP A 74 -8.175 -12.132 19.979 1.00 0.00 C ATOM 917 CG ASP A 74 -8.691 -13.294 20.852 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.563 -12.994 21.647 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.205 -14.401 20.690 1.00 0.00 O ATOM 0 H ASP A 74 -8.891 -9.777 18.405 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.316 -11.912 17.740 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.128 -12.320 19.741 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.208 -11.217 20.571 1.00 0.00 H new ATOM 924 N ASN A 75 -11.081 -12.641 17.727 1.00 0.00 N ATOM 925 CA ASN A 75 -12.110 -13.641 17.322 1.00 0.00 C ATOM 926 C ASN A 75 -12.005 -13.838 15.814 1.00 0.00 C ATOM 927 O ASN A 75 -11.903 -12.895 15.057 1.00 0.00 O ATOM 928 CB ASN A 75 -13.502 -13.107 17.699 1.00 0.00 C ATOM 929 CG ASN A 75 -13.726 -13.234 19.168 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.734 -14.296 19.751 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.920 -12.129 19.783 1.00 0.00 N ATOM 0 H ASN A 75 -11.346 -11.671 17.557 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.953 -14.593 17.828 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.591 -12.063 17.400 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.270 -13.660 17.158 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.087 -12.128 20.789 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.908 -11.249 19.267 1.00 0.00 H new ATOM 938 N ILE A 76 -12.029 -15.078 15.443 1.00 0.00 N ATOM 939 CA ILE A 76 -11.932 -15.509 14.049 1.00 0.00 C ATOM 940 C ILE A 76 -13.033 -14.905 13.263 1.00 0.00 C ATOM 941 O ILE A 76 -14.219 -15.047 13.490 1.00 0.00 O ATOM 942 CB ILE A 76 -11.929 -17.005 14.069 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.505 -17.141 14.689 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.999 -17.506 12.591 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.105 -18.504 14.887 1.00 0.00 C ATOM 0 H ILE A 76 -12.118 -15.852 16.102 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.020 -15.173 13.556 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.722 -17.547 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.783 -16.648 14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.480 -16.619 15.645 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.998 -18.596 12.576 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.913 -17.137 12.125 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.135 -17.135 12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.105 -18.530 15.321 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.807 -18.995 15.562 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.099 -19.024 13.929 1.00 0.00 H new ATOM 957 N ALA A 77 -12.455 -14.256 12.318 1.00 0.00 N ATOM 958 CA ALA A 77 -13.153 -13.381 11.396 1.00 0.00 C ATOM 959 C ALA A 77 -13.284 -14.055 10.016 1.00 0.00 C ATOM 960 O ALA A 77 -14.275 -13.938 9.323 1.00 0.00 O ATOM 961 CB ALA A 77 -12.225 -12.191 11.667 1.00 0.00 C ATOM 0 H ALA A 77 -11.451 -14.309 12.144 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.204 -13.104 11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.541 -11.339 11.065 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.272 -11.926 12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.202 -12.461 11.406 1.00 0.00 H new ATOM 967 N GLN A 78 -12.246 -14.742 9.659 1.00 0.00 N ATOM 968 CA GLN A 78 -12.234 -15.508 8.363 1.00 0.00 C ATOM 969 C GLN A 78 -12.052 -16.986 8.689 1.00 0.00 C ATOM 970 O GLN A 78 -11.585 -17.280 9.772 1.00 0.00 O ATOM 971 CB GLN A 78 -11.088 -14.927 7.490 1.00 0.00 C ATOM 972 CG GLN A 78 -11.602 -13.565 6.898 1.00 0.00 C ATOM 973 CD GLN A 78 -12.817 -13.779 5.974 1.00 0.00 C ATOM 974 OE1 GLN A 78 -12.701 -14.000 4.791 1.00 0.00 O ATOM 975 NE2 GLN A 78 -14.018 -13.738 6.454 1.00 0.00 N ATOM 0 H GLN A 78 -11.389 -14.815 10.207 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.164 -15.413 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.189 -14.773 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.824 -15.619 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.875 -12.892 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.799 -13.082 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -14.165 -13.555 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.818 -13.889 5.840 1.00 0.00 H new ATOM 984 N VAL A 79 -12.389 -17.907 7.812 1.00 0.00 N ATOM 985 CA VAL A 79 -12.179 -19.321 8.269 1.00 0.00 C ATOM 986 C VAL A 79 -10.678 -19.597 8.462 1.00 0.00 C ATOM 987 O VAL A 79 -9.853 -19.233 7.640 1.00 0.00 O ATOM 988 CB VAL A 79 -12.758 -20.353 7.257 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.464 -21.794 7.796 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.271 -20.284 7.371 1.00 0.00 C ATOM 0 H VAL A 79 -12.769 -17.763 6.876 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.708 -19.435 9.215 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.353 -20.156 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.863 -22.531 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.387 -21.933 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.937 -21.922 8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.721 -20.994 6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.571 -20.533 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.609 -19.276 7.129 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.357 -20.252 9.553 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.953 -20.532 9.929 1.00 0.00 C ATOM 1002 C PRO A 80 -8.595 -21.781 9.148 1.00 0.00 C ATOM 1003 O PRO A 80 -9.412 -22.674 8.998 1.00 0.00 O ATOM 1004 CB PRO A 80 -9.007 -20.717 11.448 1.00 0.00 C ATOM 1005 CG PRO A 80 -10.461 -20.332 11.767 1.00 0.00 C ATOM 1006 CD PRO A 80 -11.249 -20.826 10.589 1.00 0.00 C ATOM 0 HA PRO A 80 -8.203 -19.774 9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.783 -21.742 11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.293 -20.074 11.963 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.800 -20.795 12.693 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.568 -19.254 11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.325 -21.912 10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.265 -20.434 10.552 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.391 -21.834 8.680 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.058 -23.008 7.847 1.00 0.00 C ATOM 1016 C ARG A 81 -5.581 -23.311 7.803 1.00 0.00 C ATOM 1017 O ARG A 81 -4.756 -22.487 8.163 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.634 -22.770 6.443 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.966 -21.625 5.800 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.955 -21.859 4.266 1.00 0.00 C ATOM 1021 NE ARG A 81 -6.129 -23.097 4.020 1.00 0.00 N ATOM 1022 CZ ARG A 81 -6.485 -24.090 3.293 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -7.124 -25.058 3.812 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -6.163 -24.045 2.066 1.00 0.00 N ATOM 0 H ARG A 81 -6.650 -21.149 8.828 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.506 -23.894 8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.504 -23.664 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.706 -22.583 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.489 -20.699 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.948 -21.521 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.969 -21.989 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.529 -21.000 3.747 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.214 -23.148 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.353 -25.044 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.408 -25.849 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.646 -23.244 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.422 -24.810 1.442 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.323 -24.507 7.364 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.933 -25.015 7.260 1.00 0.00 C ATOM 1040 C VAL A 82 -3.264 -24.589 5.953 1.00 0.00 C ATOM 1041 O VAL A 82 -3.948 -24.322 4.983 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.918 -26.537 7.279 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.527 -26.961 7.652 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.870 -27.103 8.285 1.00 0.00 C ATOM 0 H VAL A 82 -6.038 -25.171 7.065 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.394 -24.598 8.111 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.221 -26.903 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.473 -28.049 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.820 -26.579 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.276 -26.562 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.822 -28.192 8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.599 -26.751 9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.884 -26.779 8.049 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.956 -24.532 5.968 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.204 -24.289 4.702 1.00 0.00 C ATOM 1056 C GLY A 83 -0.964 -22.821 4.445 1.00 0.00 C ATOM 1057 O GLY A 83 -1.985 -22.170 4.274 1.00 0.00 O ATOM 1058 OXT GLY A 83 0.190 -22.420 4.442 1.00 0.00 O ATOM 0 H GLY A 83 -1.378 -24.643 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.247 -24.808 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.759 -24.715 3.866 1.00 0.00 H new