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 Single : A 21 LYS NZ :NH3+ 142:sc= 0.494! (180deg=-1.76) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -1.36 (180deg=-1.95!) USER MOD Single : A 31 SER OG : rot -80:sc= 0.983 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 0.53 (180deg=0.403) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= 0.938 (180deg=-1.34) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= 1.62 (180deg=-1.64!) USER MOD Single : A 47 GLN : amide:sc= -0.54 K(o=-0.54,f=0) USER MOD Single : A 55 THR OG1 : rot 113:sc= 1.23 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 159:sc= -1.02 USER MOD Single : A 72 LYS NZ :NH3+ -142:sc= 1.16 (180deg=-0.569) USER MOD Single : A 75 ASN : amide:sc= -5.02! C(o=-5!,f=-4.8!) USER MOD Single : A 78 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -9.294 -31.751 8.247 1.00 0.00 N ATOM 20 CA LYS A 21 -9.716 -30.499 7.560 1.00 0.00 C ATOM 21 C LYS A 21 -8.527 -29.595 7.207 1.00 0.00 C ATOM 22 O LYS A 21 -7.445 -29.636 7.774 1.00 0.00 O ATOM 23 CB LYS A 21 -10.677 -29.748 8.521 1.00 0.00 C ATOM 24 CG LYS A 21 -11.996 -30.533 8.735 1.00 0.00 C ATOM 25 CD LYS A 21 -12.485 -30.405 10.213 1.00 0.00 C ATOM 26 CE LYS A 21 -12.670 -28.961 10.651 1.00 0.00 C ATOM 27 NZ LYS A 21 -13.759 -28.403 9.812 1.00 0.00 N ATOM 0 HA LYS A 21 -10.202 -30.756 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.185 -29.593 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.901 -28.762 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.763 -30.155 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.843 -31.584 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.429 -30.938 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.765 -30.890 10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.928 -28.906 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.749 -28.394 10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.350 -27.770 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.348 -27.869 9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.343 -29.179 9.440 1.00 0.00 H new ATOM 41 N THR A 22 -8.791 -28.782 6.229 1.00 0.00 N ATOM 42 CA THR A 22 -7.810 -27.722 5.881 1.00 0.00 C ATOM 43 C THR A 22 -8.490 -26.419 6.273 1.00 0.00 C ATOM 44 O THR A 22 -7.864 -25.384 6.199 1.00 0.00 O ATOM 45 CB THR A 22 -7.473 -27.636 4.381 1.00 0.00 C ATOM 46 OG1 THR A 22 -8.672 -27.772 3.640 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.756 -28.871 3.907 1.00 0.00 C ATOM 0 H THR A 22 -9.636 -28.804 5.659 1.00 0.00 H new ATOM 0 HA THR A 22 -6.870 -27.932 6.391 1.00 0.00 H new ATOM 0 HB THR A 22 -6.912 -26.710 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.473 -27.717 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.533 -28.777 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.826 -28.988 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.388 -29.744 4.069 1.00 0.00 H new ATOM 55 N GLU A 23 -9.742 -26.514 6.664 1.00 0.00 N ATOM 56 CA GLU A 23 -10.541 -25.334 7.133 1.00 0.00 C ATOM 57 C GLU A 23 -11.435 -25.593 8.388 1.00 0.00 C ATOM 58 O GLU A 23 -12.130 -26.590 8.508 1.00 0.00 O ATOM 59 CB GLU A 23 -11.417 -24.843 5.937 1.00 0.00 C ATOM 60 CG GLU A 23 -12.309 -25.969 5.293 1.00 0.00 C ATOM 61 CD GLU A 23 -11.471 -26.940 4.453 1.00 0.00 C ATOM 62 OE1 GLU A 23 -11.114 -26.521 3.364 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.229 -28.033 4.948 1.00 0.00 O ATOM 0 H GLU A 23 -10.259 -27.393 6.677 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.828 -24.577 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.062 -24.034 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.765 -24.426 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.826 -26.519 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.076 -25.513 4.667 1.00 0.00 H new ATOM 70 N TRP A 24 -11.378 -24.651 9.296 1.00 0.00 N ATOM 71 CA TRP A 24 -12.185 -24.699 10.559 1.00 0.00 C ATOM 72 C TRP A 24 -13.200 -23.567 10.708 1.00 0.00 C ATOM 73 O TRP A 24 -13.056 -22.648 11.490 1.00 0.00 O ATOM 74 CB TRP A 24 -11.209 -24.697 11.719 1.00 0.00 C ATOM 75 CG TRP A 24 -10.460 -25.986 11.773 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.904 -26.895 12.629 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.373 -26.419 11.127 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.046 -27.878 12.474 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.078 -27.683 11.584 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.592 -25.830 10.162 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.990 -28.348 11.070 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.509 -26.496 9.649 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.200 -27.760 10.099 1.00 0.00 C ATOM 0 H TRP A 24 -10.787 -23.824 9.213 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.791 -25.605 10.535 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.510 -23.867 11.612 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.747 -24.543 12.654 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.757 -26.841 13.289 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.119 -28.744 13.008 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.832 -24.839 9.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.750 -29.338 11.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.898 -26.029 8.891 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.348 -28.288 9.697 1.00 0.00 H new ATOM 94 N PRO A 25 -14.237 -23.678 9.926 1.00 0.00 N ATOM 95 CA PRO A 25 -15.316 -22.668 9.921 1.00 0.00 C ATOM 96 C PRO A 25 -16.118 -22.723 11.235 1.00 0.00 C ATOM 97 O PRO A 25 -16.608 -21.726 11.717 1.00 0.00 O ATOM 98 CB PRO A 25 -16.061 -23.042 8.654 1.00 0.00 C ATOM 99 CG PRO A 25 -15.973 -24.570 8.632 1.00 0.00 C ATOM 100 CD PRO A 25 -14.501 -24.790 8.964 1.00 0.00 C ATOM 0 HA PRO A 25 -15.011 -21.622 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.095 -22.699 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.600 -22.600 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.633 -25.030 9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.241 -24.983 7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.324 -25.768 9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.868 -24.725 8.079 1.00 0.00 H new ATOM 108 N GLU A 26 -16.227 -23.897 11.801 1.00 0.00 N ATOM 109 CA GLU A 26 -16.993 -24.076 13.072 1.00 0.00 C ATOM 110 C GLU A 26 -16.499 -23.068 14.130 1.00 0.00 C ATOM 111 O GLU A 26 -17.235 -22.541 14.941 1.00 0.00 O ATOM 112 CB GLU A 26 -16.782 -25.513 13.554 1.00 0.00 C ATOM 113 CG GLU A 26 -17.137 -26.582 12.453 1.00 0.00 C ATOM 114 CD GLU A 26 -16.001 -26.895 11.464 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.856 -26.572 11.723 1.00 0.00 O ATOM 116 OE2 GLU A 26 -16.278 -27.477 10.435 1.00 0.00 O ATOM 0 H GLU A 26 -15.812 -24.752 11.431 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.055 -23.895 12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.743 -25.641 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.396 -25.689 14.437 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.434 -27.507 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.002 -26.230 11.891 1.00 0.00 H new ATOM 123 N LEU A 27 -15.221 -22.811 14.076 1.00 0.00 N ATOM 124 CA LEU A 27 -14.577 -21.909 15.037 1.00 0.00 C ATOM 125 C LEU A 27 -14.305 -20.517 14.462 1.00 0.00 C ATOM 126 O LEU A 27 -13.317 -19.864 14.720 1.00 0.00 O ATOM 127 CB LEU A 27 -13.351 -22.756 15.495 1.00 0.00 C ATOM 128 CG LEU A 27 -12.317 -23.253 14.497 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.259 -22.204 14.214 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.644 -24.450 15.154 1.00 0.00 C ATOM 0 H LEU A 27 -14.589 -23.207 13.380 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.187 -21.620 15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.816 -22.165 16.239 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.745 -23.633 16.008 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.800 -23.497 13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.539 -22.598 13.497 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.732 -21.312 13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.745 -21.947 15.140 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.886 -24.855 14.483 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.174 -24.137 16.086 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.390 -25.217 15.364 1.00 0.00 H new ATOM 142 N VAL A 28 -15.237 -20.103 13.656 1.00 0.00 N ATOM 143 CA VAL A 28 -15.239 -18.698 13.142 1.00 0.00 C ATOM 144 C VAL A 28 -15.861 -17.794 14.238 1.00 0.00 C ATOM 145 O VAL A 28 -16.620 -18.252 15.066 1.00 0.00 O ATOM 146 CB VAL A 28 -16.054 -18.721 11.841 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.562 -17.327 11.443 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.113 -19.169 10.735 1.00 0.00 C ATOM 0 H VAL A 28 -16.009 -20.681 13.324 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.247 -18.302 12.926 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.911 -19.378 11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.132 -17.398 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.201 -16.933 12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.713 -16.659 11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.653 -19.200 9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.283 -18.467 10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.728 -20.162 10.965 1.00 0.00 H new ATOM 158 N GLY A 29 -15.539 -16.531 14.228 1.00 0.00 N ATOM 159 CA GLY A 29 -16.060 -15.596 15.294 1.00 0.00 C ATOM 160 C GLY A 29 -15.826 -16.136 16.715 1.00 0.00 C ATOM 161 O GLY A 29 -16.561 -15.852 17.641 1.00 0.00 O ATOM 0 H GLY A 29 -14.937 -16.094 13.530 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.573 -14.626 15.192 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.127 -15.434 15.141 1.00 0.00 H new ATOM 165 N LYS A 30 -14.779 -16.905 16.835 1.00 0.00 N ATOM 166 CA LYS A 30 -14.358 -17.487 18.157 1.00 0.00 C ATOM 167 C LYS A 30 -12.941 -17.019 18.491 1.00 0.00 C ATOM 168 O LYS A 30 -12.365 -16.357 17.653 1.00 0.00 O ATOM 169 CB LYS A 30 -14.356 -19.032 18.103 1.00 0.00 C ATOM 170 CG LYS A 30 -15.752 -19.646 17.796 1.00 0.00 C ATOM 171 CD LYS A 30 -16.954 -19.012 18.583 1.00 0.00 C ATOM 172 CE LYS A 30 -17.123 -19.524 20.018 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.029 -18.994 20.870 1.00 0.00 N ATOM 0 H LYS A 30 -14.177 -17.165 16.054 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.065 -17.152 18.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.649 -19.360 17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.999 -19.420 19.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.947 -19.548 16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.717 -20.713 18.017 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.822 -17.930 18.611 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.874 -19.206 18.032 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.089 -19.212 20.414 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.111 -20.614 20.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.275 -19.124 21.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.148 -19.505 20.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.896 -17.981 20.675 1.00 0.00 H new ATOM 187 N SER A 31 -12.434 -17.377 19.653 1.00 0.00 N ATOM 188 CA SER A 31 -11.046 -16.939 20.020 1.00 0.00 C ATOM 189 C SER A 31 -10.028 -17.843 19.495 1.00 0.00 C ATOM 190 O SER A 31 -10.202 -19.002 19.159 1.00 0.00 O ATOM 191 CB SER A 31 -10.854 -16.892 21.533 1.00 0.00 C ATOM 192 OG SER A 31 -11.048 -18.253 21.938 1.00 0.00 O ATOM 0 H SER A 31 -12.914 -17.944 20.352 1.00 0.00 H new ATOM 0 HA SER A 31 -10.932 -15.947 19.584 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.861 -16.532 21.800 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.574 -16.225 22.008 1.00 0.00 H new ATOM 0 HG SER A 31 -12.008 -18.446 21.988 1.00 0.00 H new ATOM 198 N VAL A 32 -8.914 -17.197 19.485 1.00 0.00 N ATOM 199 CA VAL A 32 -7.772 -17.841 18.872 1.00 0.00 C ATOM 200 C VAL A 32 -7.289 -19.036 19.716 1.00 0.00 C ATOM 201 O VAL A 32 -6.731 -19.998 19.231 1.00 0.00 O ATOM 202 CB VAL A 32 -6.792 -16.697 18.730 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.005 -16.488 20.062 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.796 -16.962 17.591 1.00 0.00 C ATOM 0 H VAL A 32 -8.756 -16.266 19.871 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.961 -18.309 17.906 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.363 -15.798 18.497 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.304 -15.662 19.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.705 -16.259 20.866 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.456 -17.397 20.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.103 -16.124 17.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.239 -17.875 17.800 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.338 -17.075 16.652 1.00 0.00 H new ATOM 214 N GLU A 33 -7.519 -18.954 20.994 1.00 0.00 N ATOM 215 CA GLU A 33 -7.110 -20.071 21.900 1.00 0.00 C ATOM 216 C GLU A 33 -8.074 -21.231 21.803 1.00 0.00 C ATOM 217 O GLU A 33 -7.622 -22.365 21.832 1.00 0.00 O ATOM 218 CB GLU A 33 -7.001 -19.462 23.324 1.00 0.00 C ATOM 219 CG GLU A 33 -5.544 -18.907 23.462 1.00 0.00 C ATOM 220 CD GLU A 33 -4.568 -20.074 23.459 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.480 -20.698 24.500 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.980 -20.297 22.419 1.00 0.00 O ATOM 0 H GLU A 33 -7.972 -18.165 21.455 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.147 -20.497 21.617 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.733 -18.667 23.462 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.202 -20.216 24.085 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.321 -18.227 22.640 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.445 -18.335 24.385 1.00 0.00 H new ATOM 229 N GLU A 34 -9.332 -20.913 21.686 1.00 0.00 N ATOM 230 CA GLU A 34 -10.371 -21.976 21.460 1.00 0.00 C ATOM 231 C GLU A 34 -10.024 -22.614 20.097 1.00 0.00 C ATOM 232 O GLU A 34 -9.928 -23.823 19.963 1.00 0.00 O ATOM 233 CB GLU A 34 -11.767 -21.373 21.353 1.00 0.00 C ATOM 234 CG GLU A 34 -12.463 -21.041 22.710 1.00 0.00 C ATOM 235 CD GLU A 34 -13.783 -20.354 22.388 1.00 0.00 C ATOM 236 OE1 GLU A 34 -13.706 -19.262 21.847 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.825 -20.918 22.663 1.00 0.00 O ATOM 0 H GLU A 34 -9.695 -19.961 21.736 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.371 -22.686 22.287 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.704 -20.458 20.764 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.401 -22.066 20.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.634 -21.950 23.286 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.831 -20.393 23.317 1.00 0.00 H new ATOM 244 N ALA A 35 -9.849 -21.770 19.105 1.00 0.00 N ATOM 245 CA ALA A 35 -9.483 -22.246 17.750 1.00 0.00 C ATOM 246 C ALA A 35 -8.392 -23.297 17.772 1.00 0.00 C ATOM 247 O ALA A 35 -8.606 -24.393 17.304 1.00 0.00 O ATOM 248 CB ALA A 35 -9.039 -21.046 16.953 1.00 0.00 C ATOM 0 H ALA A 35 -9.948 -20.758 19.188 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.351 -22.725 17.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.761 -21.360 15.947 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.855 -20.325 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.180 -20.584 17.439 1.00 0.00 H new ATOM 254 N LYS A 36 -7.254 -22.953 18.326 1.00 0.00 N ATOM 255 CA LYS A 36 -6.124 -23.900 18.356 1.00 0.00 C ATOM 256 C LYS A 36 -6.621 -25.213 18.873 1.00 0.00 C ATOM 257 O LYS A 36 -6.507 -26.235 18.255 1.00 0.00 O ATOM 258 CB LYS A 36 -5.028 -23.387 19.284 1.00 0.00 C ATOM 259 CG LYS A 36 -4.384 -22.112 18.773 1.00 0.00 C ATOM 260 CD LYS A 36 -3.307 -21.795 19.814 1.00 0.00 C ATOM 261 CE LYS A 36 -2.797 -20.387 19.713 1.00 0.00 C ATOM 262 NZ LYS A 36 -3.916 -19.467 20.059 1.00 0.00 N ATOM 0 H LYS A 36 -7.070 -22.048 18.758 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.715 -24.009 17.351 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.449 -23.206 20.273 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.264 -24.156 19.398 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.952 -22.253 17.782 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.110 -21.303 18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.714 -21.959 20.812 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.474 -22.488 19.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.956 -20.237 20.390 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.434 -20.184 18.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.567 -18.488 20.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.668 -19.552 19.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.296 -19.718 20.994 1.00 0.00 H new ATOM 276 N LYS A 37 -7.202 -25.098 20.018 1.00 0.00 N ATOM 277 CA LYS A 37 -7.647 -26.300 20.734 1.00 0.00 C ATOM 278 C LYS A 37 -8.532 -27.195 19.860 1.00 0.00 C ATOM 279 O LYS A 37 -8.339 -28.393 19.795 1.00 0.00 O ATOM 280 CB LYS A 37 -8.324 -25.786 22.009 1.00 0.00 C ATOM 281 CG LYS A 37 -7.194 -25.120 22.874 1.00 0.00 C ATOM 282 CD LYS A 37 -7.806 -24.351 24.068 1.00 0.00 C ATOM 283 CE LYS A 37 -6.703 -23.692 24.919 1.00 0.00 C ATOM 284 NZ LYS A 37 -5.976 -22.679 24.089 1.00 0.00 N ATOM 0 H LYS A 37 -7.389 -24.214 20.492 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.819 -26.959 20.995 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.106 -25.065 21.770 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.799 -26.603 22.553 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.509 -25.885 23.240 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.609 -24.438 22.256 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.493 -23.588 23.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.389 -25.034 24.686 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.141 -23.214 25.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.007 -24.448 25.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.833 -21.812 24.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.053 -23.063 23.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.537 -22.458 23.242 1.00 0.00 H new ATOM 298 N VAL A 38 -9.473 -26.581 19.203 1.00 0.00 N ATOM 299 CA VAL A 38 -10.355 -27.369 18.270 1.00 0.00 C ATOM 300 C VAL A 38 -9.548 -27.882 17.060 1.00 0.00 C ATOM 301 O VAL A 38 -9.545 -29.048 16.724 1.00 0.00 O ATOM 302 CB VAL A 38 -11.468 -26.542 17.648 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.270 -27.473 16.682 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.398 -25.840 18.628 1.00 0.00 C ATOM 0 H VAL A 38 -9.676 -25.583 19.262 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.763 -28.165 18.893 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.992 -25.716 17.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.078 -26.907 16.219 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.604 -27.854 15.908 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.688 -28.308 17.245 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.153 -25.280 18.076 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.886 -26.581 19.261 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.821 -25.155 19.250 1.00 0.00 H new ATOM 314 N ILE A 39 -8.874 -26.967 16.424 1.00 0.00 N ATOM 315 CA ILE A 39 -8.085 -27.308 15.210 1.00 0.00 C ATOM 316 C ILE A 39 -7.185 -28.484 15.541 1.00 0.00 C ATOM 317 O ILE A 39 -7.115 -29.456 14.828 1.00 0.00 O ATOM 318 CB ILE A 39 -7.304 -26.053 14.810 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.321 -25.009 14.331 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.444 -26.385 13.615 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.632 -23.792 13.698 1.00 0.00 C ATOM 0 H ILE A 39 -8.836 -25.985 16.697 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.709 -27.606 14.368 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.705 -25.696 15.648 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.995 -25.464 13.605 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.932 -24.684 15.173 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.880 -25.502 13.316 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.752 -27.186 13.876 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.078 -26.708 12.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.386 -23.076 13.372 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.978 -23.321 14.432 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.042 -24.114 12.840 1.00 0.00 H new ATOM 333 N LEU A 40 -6.510 -28.364 16.633 1.00 0.00 N ATOM 334 CA LEU A 40 -5.635 -29.431 17.153 1.00 0.00 C ATOM 335 C LEU A 40 -6.409 -30.692 17.447 1.00 0.00 C ATOM 336 O LEU A 40 -5.873 -31.769 17.273 1.00 0.00 O ATOM 337 CB LEU A 40 -4.976 -28.845 18.386 1.00 0.00 C ATOM 338 CG LEU A 40 -4.095 -27.694 17.938 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.416 -27.045 19.149 1.00 0.00 C ATOM 340 CD2 LEU A 40 -3.010 -28.249 17.064 1.00 0.00 C ATOM 0 H LEU A 40 -6.531 -27.527 17.216 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.886 -29.737 16.422 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.729 -28.497 19.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.383 -29.602 18.899 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.706 -26.959 17.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.786 -26.220 18.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.176 -26.667 19.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.802 -27.785 19.662 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.363 -27.439 16.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.423 -28.973 17.629 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.455 -28.739 16.198 1.00 0.00 H new ATOM 352 N GLN A 41 -7.625 -30.524 17.893 1.00 0.00 N ATOM 353 CA GLN A 41 -8.487 -31.716 18.152 1.00 0.00 C ATOM 354 C GLN A 41 -8.619 -32.489 16.819 1.00 0.00 C ATOM 355 O GLN A 41 -8.755 -33.697 16.792 1.00 0.00 O ATOM 356 CB GLN A 41 -9.856 -31.224 18.654 1.00 0.00 C ATOM 357 CG GLN A 41 -10.701 -32.431 19.125 1.00 0.00 C ATOM 358 CD GLN A 41 -12.178 -32.118 18.972 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.828 -31.590 19.843 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.768 -32.418 17.864 1.00 0.00 N ATOM 0 H GLN A 41 -8.057 -29.621 18.088 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.062 -32.376 18.909 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.722 -30.519 19.474 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.376 -30.691 17.858 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.445 -33.315 18.541 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.475 -32.660 20.166 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.244 -32.864 17.112 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.759 -32.209 17.741 1.00 0.00 H new ATOM 369 N ASP A 42 -8.572 -31.731 15.756 1.00 0.00 N ATOM 370 CA ASP A 42 -8.654 -32.300 14.363 1.00 0.00 C ATOM 371 C ASP A 42 -7.275 -32.787 13.804 1.00 0.00 C ATOM 372 O ASP A 42 -7.084 -33.931 13.434 1.00 0.00 O ATOM 373 CB ASP A 42 -9.273 -31.182 13.451 1.00 0.00 C ATOM 374 CG ASP A 42 -9.726 -31.798 12.137 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.579 -32.653 12.271 1.00 0.00 O ATOM 376 OD2 ASP A 42 -9.229 -31.405 11.093 1.00 0.00 O ATOM 0 H ASP A 42 -8.478 -30.716 15.788 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.276 -33.195 14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.117 -30.711 13.955 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.537 -30.400 13.264 1.00 0.00 H new ATOM 381 N LYS A 43 -6.347 -31.884 13.774 1.00 0.00 N ATOM 382 CA LYS A 43 -4.977 -32.138 13.234 1.00 0.00 C ATOM 383 C LYS A 43 -3.890 -32.015 14.356 1.00 0.00 C ATOM 384 O LYS A 43 -3.210 -31.011 14.447 1.00 0.00 O ATOM 385 CB LYS A 43 -4.858 -31.110 12.104 1.00 0.00 C ATOM 386 CG LYS A 43 -3.667 -31.357 11.172 1.00 0.00 C ATOM 387 CD LYS A 43 -3.677 -30.184 10.135 1.00 0.00 C ATOM 388 CE LYS A 43 -2.481 -30.228 9.183 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.279 -29.733 9.915 1.00 0.00 N ATOM 0 H LYS A 43 -6.483 -30.933 14.117 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.817 -33.149 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.776 -31.120 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.768 -30.114 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.732 -31.375 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.757 -32.321 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.599 -30.225 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.677 -29.233 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.316 -31.245 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.672 -29.610 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.454 -30.311 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.100 -28.741 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.444 -29.801 10.940 1.00 0.00 H new ATOM 403 N PRO A 44 -3.742 -33.036 15.184 1.00 0.00 N ATOM 404 CA PRO A 44 -2.756 -33.038 16.309 1.00 0.00 C ATOM 405 C PRO A 44 -1.531 -32.090 16.227 1.00 0.00 C ATOM 406 O PRO A 44 -1.322 -31.333 17.155 1.00 0.00 O ATOM 407 CB PRO A 44 -2.422 -34.536 16.411 1.00 0.00 C ATOM 408 CG PRO A 44 -3.850 -35.140 16.284 1.00 0.00 C ATOM 409 CD PRO A 44 -4.497 -34.329 15.125 1.00 0.00 C ATOM 0 HA PRO A 44 -3.181 -32.597 17.211 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.756 -34.870 15.615 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.943 -34.793 17.356 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.814 -36.205 16.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.414 -35.032 17.211 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.377 -34.827 14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.566 -34.183 15.277 1.00 0.00 H new ATOM 417 N GLU A 45 -0.772 -32.117 15.163 1.00 0.00 N ATOM 418 CA GLU A 45 0.434 -31.253 15.061 1.00 0.00 C ATOM 419 C GLU A 45 0.265 -29.795 14.566 1.00 0.00 C ATOM 420 O GLU A 45 1.262 -29.136 14.317 1.00 0.00 O ATOM 421 CB GLU A 45 1.407 -32.064 14.169 1.00 0.00 C ATOM 422 CG GLU A 45 0.861 -32.536 12.744 1.00 0.00 C ATOM 423 CD GLU A 45 0.363 -31.444 11.789 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.592 -30.772 12.112 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.938 -31.301 10.724 1.00 0.00 O ATOM 0 H GLU A 45 -0.942 -32.710 14.351 1.00 0.00 H new ATOM 0 HA GLU A 45 0.791 -31.054 16.071 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.300 -31.461 14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.717 -32.950 14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.657 -33.087 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.044 -33.238 12.911 1.00 0.00 H new ATOM 432 N ALA A 46 -0.933 -29.278 14.419 1.00 0.00 N ATOM 433 CA ALA A 46 -1.030 -27.849 13.943 1.00 0.00 C ATOM 434 C ALA A 46 -0.434 -26.809 14.972 1.00 0.00 C ATOM 435 O ALA A 46 -1.082 -26.364 15.895 1.00 0.00 O ATOM 436 CB ALA A 46 -2.561 -27.577 13.625 1.00 0.00 C ATOM 0 H ALA A 46 -1.817 -29.755 14.598 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.420 -27.713 13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.683 -26.552 13.276 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.900 -28.267 12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.152 -27.725 14.529 1.00 0.00 H new ATOM 442 N GLN A 47 0.795 -26.392 14.819 1.00 0.00 N ATOM 443 CA GLN A 47 1.402 -25.439 15.825 1.00 0.00 C ATOM 444 C GLN A 47 0.852 -24.018 15.528 1.00 0.00 C ATOM 445 O GLN A 47 1.520 -23.102 15.091 1.00 0.00 O ATOM 446 CB GLN A 47 2.941 -25.507 15.676 1.00 0.00 C ATOM 447 CG GLN A 47 3.596 -24.931 16.988 1.00 0.00 C ATOM 448 CD GLN A 47 5.126 -24.934 16.943 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.783 -24.596 17.898 1.00 0.00 O ATOM 450 NE2 GLN A 47 5.770 -25.296 15.884 1.00 0.00 N ATOM 0 H GLN A 47 1.409 -26.661 14.051 1.00 0.00 H new ATOM 0 HA GLN A 47 1.145 -25.699 16.852 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.261 -26.536 15.513 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.263 -24.932 14.808 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.245 -23.911 17.146 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.262 -25.519 17.843 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.259 -25.590 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.790 -25.288 15.880 1.00 0.00 H new ATOM 459 N ILE A 48 -0.410 -23.896 15.816 1.00 0.00 N ATOM 460 CA ILE A 48 -1.186 -22.658 15.516 1.00 0.00 C ATOM 461 C ILE A 48 -0.980 -21.486 16.475 1.00 0.00 C ATOM 462 O ILE A 48 -1.224 -21.596 17.658 1.00 0.00 O ATOM 463 CB ILE A 48 -2.627 -23.022 15.513 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.903 -24.122 14.458 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.474 -21.750 15.236 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.123 -24.877 14.835 1.00 0.00 C ATOM 0 H ILE A 48 -0.958 -24.630 16.264 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.820 -22.299 14.554 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.906 -23.424 16.487 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.031 -23.672 13.473 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.051 -24.798 14.391 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.532 -22.011 15.233 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.285 -21.011 16.014 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.200 -21.334 14.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.316 -25.651 14.092 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.977 -25.340 15.811 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.973 -24.196 14.879 1.00 0.00 H new ATOM 478 N ILE A 49 -0.559 -20.385 15.927 1.00 0.00 N ATOM 479 CA ILE A 49 -0.345 -19.166 16.784 1.00 0.00 C ATOM 480 C ILE A 49 -1.325 -18.039 16.376 1.00 0.00 C ATOM 481 O ILE A 49 -2.001 -18.133 15.367 1.00 0.00 O ATOM 482 CB ILE A 49 1.152 -18.763 16.637 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.075 -19.455 17.697 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.389 -17.243 16.797 1.00 0.00 C ATOM 485 CD1 ILE A 49 1.859 -20.987 17.813 1.00 0.00 C ATOM 0 H ILE A 49 -0.353 -20.265 14.935 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.556 -19.366 17.834 1.00 0.00 H new ATOM 0 HB ILE A 49 1.405 -19.089 15.628 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.116 -19.263 17.438 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.899 -18.998 18.671 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.451 -17.027 16.684 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.826 -16.705 16.035 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.057 -16.925 17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.534 -21.394 18.566 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.828 -21.188 18.103 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.064 -21.457 16.851 1.00 0.00 H new ATOM 497 N VAL A 50 -1.362 -17.019 17.169 1.00 0.00 N ATOM 498 CA VAL A 50 -2.248 -15.837 16.903 1.00 0.00 C ATOM 499 C VAL A 50 -1.693 -14.996 15.722 1.00 0.00 C ATOM 500 O VAL A 50 -0.551 -14.578 15.683 1.00 0.00 O ATOM 501 CB VAL A 50 -2.327 -14.996 18.215 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.932 -14.503 18.686 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.239 -13.780 18.005 1.00 0.00 C ATOM 0 H VAL A 50 -0.803 -16.941 18.019 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.248 -16.164 16.616 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.733 -15.650 18.987 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.041 -13.923 19.602 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.287 -15.361 18.875 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.487 -13.878 17.912 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.288 -13.199 18.926 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.838 -13.158 17.205 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.240 -14.118 17.735 1.00 0.00 H new ATOM 513 N LEU A 51 -2.557 -14.778 14.769 1.00 0.00 N ATOM 514 CA LEU A 51 -2.174 -14.031 13.535 1.00 0.00 C ATOM 515 C LEU A 51 -3.216 -12.934 13.221 1.00 0.00 C ATOM 516 O LEU A 51 -4.306 -13.217 12.754 1.00 0.00 O ATOM 517 CB LEU A 51 -2.045 -15.132 12.450 1.00 0.00 C ATOM 518 CG LEU A 51 -0.598 -15.164 11.919 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.297 -16.610 11.504 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.539 -14.265 10.652 1.00 0.00 C ATOM 0 H LEU A 51 -3.528 -15.090 14.793 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.238 -13.479 13.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.312 -16.103 12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.739 -14.935 11.633 1.00 0.00 H new ATOM 0 HG LEU A 51 0.114 -14.817 12.668 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.722 -16.674 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.402 -17.266 12.368 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.996 -16.919 10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.475 -14.267 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.227 -14.651 9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.823 -13.246 10.915 1.00 0.00 H new ATOM 532 N PRO A 52 -2.908 -11.683 13.474 1.00 0.00 N ATOM 533 CA PRO A 52 -3.894 -10.603 13.194 1.00 0.00 C ATOM 534 C PRO A 52 -4.335 -10.627 11.720 1.00 0.00 C ATOM 535 O PRO A 52 -3.553 -10.401 10.823 1.00 0.00 O ATOM 536 CB PRO A 52 -3.147 -9.330 13.623 1.00 0.00 C ATOM 537 CG PRO A 52 -2.158 -9.865 14.705 1.00 0.00 C ATOM 538 CD PRO A 52 -1.641 -11.148 14.053 1.00 0.00 C ATOM 0 HA PRO A 52 -4.837 -10.699 13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.622 -8.867 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.825 -8.579 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.354 -9.158 14.909 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.658 -10.062 15.654 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.887 -10.952 13.291 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.194 -11.830 14.776 1.00 0.00 H new ATOM 546 N VAL A 53 -5.582 -10.905 11.490 1.00 0.00 N ATOM 547 CA VAL A 53 -6.164 -10.962 10.113 1.00 0.00 C ATOM 548 C VAL A 53 -5.630 -9.855 9.201 1.00 0.00 C ATOM 549 O VAL A 53 -5.400 -8.722 9.579 1.00 0.00 O ATOM 550 CB VAL A 53 -7.737 -10.883 10.238 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.170 -9.530 10.839 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.389 -10.978 8.846 1.00 0.00 C ATOM 0 H VAL A 53 -6.256 -11.105 12.229 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.866 -11.901 9.646 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.051 -11.708 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.257 -9.497 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.732 -9.416 11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.827 -8.720 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.473 -10.922 8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.040 -10.154 8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.116 -11.925 8.380 1.00 0.00 H new ATOM 562 N GLY A 54 -5.451 -10.270 7.983 1.00 0.00 N ATOM 563 CA GLY A 54 -4.857 -9.323 6.965 1.00 0.00 C ATOM 564 C GLY A 54 -3.336 -9.533 6.838 1.00 0.00 C ATOM 565 O GLY A 54 -2.756 -9.228 5.816 1.00 0.00 O ATOM 0 H GLY A 54 -5.680 -11.202 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.332 -9.480 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.062 -8.293 7.257 1.00 0.00 H new ATOM 569 N THR A 55 -2.728 -10.025 7.889 1.00 0.00 N ATOM 570 CA THR A 55 -1.280 -10.363 7.935 1.00 0.00 C ATOM 571 C THR A 55 -0.828 -11.331 6.801 1.00 0.00 C ATOM 572 O THR A 55 -1.604 -11.759 5.964 1.00 0.00 O ATOM 573 CB THR A 55 -1.177 -10.841 9.374 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.162 -9.643 10.135 1.00 0.00 O ATOM 575 CG2 THR A 55 0.047 -11.418 9.753 1.00 0.00 C ATOM 0 H THR A 55 -3.213 -10.215 8.766 1.00 0.00 H new ATOM 0 HA THR A 55 -0.579 -9.556 7.721 1.00 0.00 H new ATOM 0 HB THR A 55 -1.973 -11.573 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.986 -9.579 10.661 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.001 -11.719 10.799 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.245 -12.292 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.848 -10.691 9.621 1.00 0.00 H new ATOM 583 N ILE A 56 0.417 -11.703 6.745 1.00 0.00 N ATOM 584 CA ILE A 56 0.815 -12.610 5.610 1.00 0.00 C ATOM 585 C ILE A 56 0.129 -13.975 5.623 1.00 0.00 C ATOM 586 O ILE A 56 0.494 -14.901 6.322 1.00 0.00 O ATOM 587 CB ILE A 56 2.332 -12.813 5.628 1.00 0.00 C ATOM 588 CG1 ILE A 56 3.012 -11.437 5.570 1.00 0.00 C ATOM 589 CG2 ILE A 56 2.765 -13.656 4.399 1.00 0.00 C ATOM 590 CD1 ILE A 56 2.609 -10.577 4.342 1.00 0.00 C ATOM 0 H ILE A 56 1.155 -11.440 7.398 1.00 0.00 H new ATOM 0 HA ILE A 56 0.488 -12.110 4.698 1.00 0.00 H new ATOM 0 HB ILE A 56 2.623 -13.338 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.770 -10.887 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.093 -11.579 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.846 -13.797 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.272 -14.627 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.482 -13.136 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.134 -9.622 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.876 -11.103 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.534 -10.401 4.359 1.00 0.00 H new ATOM 602 N VAL A 57 -0.878 -14.059 4.808 1.00 0.00 N ATOM 603 CA VAL A 57 -1.642 -15.353 4.680 1.00 0.00 C ATOM 604 C VAL A 57 -1.205 -16.123 3.479 1.00 0.00 C ATOM 605 O VAL A 57 -0.943 -17.304 3.572 1.00 0.00 O ATOM 606 CB VAL A 57 -3.204 -15.164 4.570 1.00 0.00 C ATOM 607 CG1 VAL A 57 -3.860 -15.748 5.817 1.00 0.00 C ATOM 608 CG2 VAL A 57 -3.713 -13.745 4.392 1.00 0.00 C ATOM 0 H VAL A 57 -1.215 -13.297 4.220 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.419 -15.892 5.601 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.473 -15.681 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.941 -15.623 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.621 -16.809 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.487 -15.230 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.801 -13.754 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.403 -13.138 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.301 -13.323 3.475 1.00 0.00 H new ATOM 618 N THR A 58 -1.144 -15.420 2.398 1.00 0.00 N ATOM 619 CA THR A 58 -0.682 -15.943 1.106 1.00 0.00 C ATOM 620 C THR A 58 0.812 -16.191 1.051 1.00 0.00 C ATOM 621 O THR A 58 1.637 -15.591 0.402 1.00 0.00 O ATOM 622 CB THR A 58 -1.122 -14.974 0.079 1.00 0.00 C ATOM 623 OG1 THR A 58 -1.915 -13.949 0.659 1.00 0.00 O ATOM 624 CG2 THR A 58 -2.007 -15.751 -0.807 1.00 0.00 C ATOM 0 H THR A 58 -1.416 -14.438 2.362 1.00 0.00 H new ATOM 0 HA THR A 58 -1.116 -16.928 0.933 1.00 0.00 H new ATOM 0 HB THR A 58 -0.267 -14.517 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.194 -13.318 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.381 -15.107 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.449 -16.580 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.846 -16.142 -0.231 1.00 0.00 H new ATOM 632 N MET A 59 0.998 -17.174 1.843 1.00 0.00 N ATOM 633 CA MET A 59 2.282 -17.812 2.192 1.00 0.00 C ATOM 634 C MET A 59 2.403 -19.088 1.345 1.00 0.00 C ATOM 635 O MET A 59 1.547 -19.392 0.528 1.00 0.00 O ATOM 636 CB MET A 59 2.196 -18.039 3.728 1.00 0.00 C ATOM 637 CG MET A 59 3.486 -18.578 4.381 1.00 0.00 C ATOM 638 SD MET A 59 3.455 -18.748 6.184 1.00 0.00 S ATOM 639 CE MET A 59 4.473 -17.338 6.688 1.00 0.00 C ATOM 0 H MET A 59 0.215 -17.617 2.323 1.00 0.00 H new ATOM 0 HA MET A 59 3.181 -17.234 1.980 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.932 -17.095 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.384 -18.737 3.932 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.708 -19.553 3.948 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.309 -17.916 4.113 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.545 -17.312 7.775 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.471 -17.438 6.260 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.017 -16.414 6.332 1.00 0.00 H new ATOM 649 N GLU A 60 3.481 -19.774 1.588 1.00 0.00 N ATOM 650 CA GLU A 60 3.760 -21.090 0.988 1.00 0.00 C ATOM 651 C GLU A 60 2.903 -22.078 1.811 1.00 0.00 C ATOM 652 O GLU A 60 1.999 -21.691 2.521 1.00 0.00 O ATOM 653 CB GLU A 60 5.274 -21.293 1.127 1.00 0.00 C ATOM 654 CG GLU A 60 5.723 -21.262 2.609 1.00 0.00 C ATOM 655 CD GLU A 60 7.166 -21.737 2.803 1.00 0.00 C ATOM 656 OE1 GLU A 60 7.459 -22.861 2.435 1.00 0.00 O ATOM 657 OE2 GLU A 60 7.890 -20.923 3.342 1.00 0.00 O ATOM 0 H GLU A 60 4.216 -19.449 2.216 1.00 0.00 H new ATOM 0 HA GLU A 60 3.511 -21.214 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.556 -22.247 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.798 -20.515 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.625 -20.246 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.056 -21.891 3.199 1.00 0.00 H new ATOM 664 N TYR A 61 3.187 -23.337 1.734 1.00 0.00 N ATOM 665 CA TYR A 61 2.341 -24.330 2.458 1.00 0.00 C ATOM 666 C TYR A 61 2.917 -24.669 3.811 1.00 0.00 C ATOM 667 O TYR A 61 3.568 -25.682 3.993 1.00 0.00 O ATOM 668 CB TYR A 61 2.250 -25.561 1.611 1.00 0.00 C ATOM 669 CG TYR A 61 1.311 -26.598 2.221 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.028 -26.311 2.263 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.765 -27.819 2.662 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.927 -27.248 2.731 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.869 -28.773 3.133 1.00 0.00 C ATOM 674 CZ TYR A 61 -0.482 -28.479 3.161 1.00 0.00 C ATOM 675 OH TYR A 61 -1.387 -29.414 3.615 1.00 0.00 O ATOM 0 H TYR A 61 3.965 -23.730 1.204 1.00 0.00 H new ATOM 0 HA TYR A 61 1.352 -23.905 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.898 -25.292 0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.243 -25.995 1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.382 -25.347 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.822 -28.038 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.981 -27.016 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.225 -29.734 3.474 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.988 -30.308 3.562 1.00 0.00 H new ATOM 685 N ARG A 62 2.633 -23.801 4.732 1.00 0.00 N ATOM 686 CA ARG A 62 3.174 -24.043 6.087 1.00 0.00 C ATOM 687 C ARG A 62 2.222 -24.876 6.859 1.00 0.00 C ATOM 688 O ARG A 62 1.749 -24.542 7.915 1.00 0.00 O ATOM 689 CB ARG A 62 3.373 -22.718 6.791 1.00 0.00 C ATOM 690 CG ARG A 62 4.315 -21.894 5.996 1.00 0.00 C ATOM 691 CD ARG A 62 5.579 -22.687 5.787 1.00 0.00 C ATOM 692 NE ARG A 62 6.594 -21.648 5.533 1.00 0.00 N ATOM 693 CZ ARG A 62 7.591 -21.539 6.292 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.326 -21.306 7.508 1.00 0.00 N ATOM 695 NH2 ARG A 62 8.729 -21.676 5.769 1.00 0.00 N ATOM 0 H ARG A 62 2.068 -22.960 4.612 1.00 0.00 H new ATOM 0 HA ARG A 62 4.129 -24.563 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.419 -22.202 6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.766 -22.879 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.871 -21.629 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.534 -20.961 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.827 -23.286 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.488 -23.374 4.946 1.00 0.00 H new ATOM 0 HE ARG A 62 6.487 -21.016 4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.356 -21.220 7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.083 -21.205 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.812 -21.867 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.568 -21.596 6.344 1.00 0.00 H new ATOM 709 N ILE A 63 1.974 -25.984 6.256 1.00 0.00 N ATOM 710 CA ILE A 63 1.058 -27.008 6.815 1.00 0.00 C ATOM 711 C ILE A 63 1.189 -27.300 8.286 1.00 0.00 C ATOM 712 O ILE A 63 0.239 -27.699 8.927 1.00 0.00 O ATOM 713 CB ILE A 63 1.293 -28.195 5.959 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.348 -29.374 6.302 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.807 -28.560 5.943 1.00 0.00 C ATOM 716 CD1 ILE A 63 1.112 -30.520 6.962 1.00 0.00 C ATOM 0 H ILE A 63 2.384 -26.240 5.358 1.00 0.00 H new ATOM 0 HA ILE A 63 0.030 -26.646 6.788 1.00 0.00 H new ATOM 0 HB ILE A 63 1.028 -27.942 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.442 -29.028 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.136 -29.732 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.964 -29.434 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.380 -27.720 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.138 -28.782 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.423 -31.333 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.885 -30.880 6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.574 -30.166 7.883 1.00 0.00 H new ATOM 728 N ASP A 64 2.369 -27.090 8.781 1.00 0.00 N ATOM 729 CA ASP A 64 2.668 -27.236 10.234 1.00 0.00 C ATOM 730 C ASP A 64 1.679 -26.333 11.031 1.00 0.00 C ATOM 731 O ASP A 64 1.497 -26.417 12.232 1.00 0.00 O ATOM 732 CB ASP A 64 4.136 -26.817 10.349 1.00 0.00 C ATOM 733 CG ASP A 64 4.332 -25.475 9.653 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.047 -24.491 10.303 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.749 -25.533 8.509 1.00 0.00 O ATOM 0 H ASP A 64 3.173 -26.812 8.219 1.00 0.00 H new ATOM 0 HA ASP A 64 2.538 -28.238 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.424 -26.741 11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.778 -27.572 9.896 1.00 0.00 H new ATOM 740 N ARG A 65 1.068 -25.466 10.282 1.00 0.00 N ATOM 741 CA ARG A 65 0.114 -24.452 10.773 1.00 0.00 C ATOM 742 C ARG A 65 -1.241 -24.269 10.049 1.00 0.00 C ATOM 743 O ARG A 65 -1.439 -24.576 8.884 1.00 0.00 O ATOM 744 CB ARG A 65 0.845 -23.137 10.731 1.00 0.00 C ATOM 745 CG ARG A 65 1.688 -22.894 12.016 1.00 0.00 C ATOM 746 CD ARG A 65 1.863 -21.384 12.222 1.00 0.00 C ATOM 747 NE ARG A 65 0.466 -20.823 12.306 1.00 0.00 N ATOM 748 CZ ARG A 65 0.121 -19.795 12.993 1.00 0.00 C ATOM 749 NH1 ARG A 65 1.015 -18.980 13.361 1.00 0.00 N ATOM 750 NH2 ARG A 65 -1.111 -19.617 13.289 1.00 0.00 N ATOM 0 H ARG A 65 1.208 -25.423 9.273 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.190 -24.814 11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.499 -23.114 9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.126 -22.327 10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.193 -23.337 12.880 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.661 -23.377 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.425 -21.175 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.416 -20.937 11.396 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.263 -21.298 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.990 -19.145 13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.761 -18.157 13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.812 -20.290 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.392 -18.802 13.835 1.00 0.00 H new ATOM 764 N VAL A 66 -2.124 -23.717 10.849 1.00 0.00 N ATOM 765 CA VAL A 66 -3.449 -23.259 10.369 1.00 0.00 C ATOM 766 C VAL A 66 -3.274 -21.735 10.630 1.00 0.00 C ATOM 767 O VAL A 66 -2.786 -21.327 11.681 1.00 0.00 O ATOM 768 CB VAL A 66 -4.612 -23.877 11.209 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.964 -23.795 10.478 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.495 -25.342 11.226 1.00 0.00 C ATOM 0 H VAL A 66 -1.966 -23.565 11.845 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.709 -23.532 9.346 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.560 -23.354 12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.742 -24.237 11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.208 -22.751 10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.902 -24.339 9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.310 -25.765 11.814 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.547 -25.723 10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.541 -25.626 11.671 1.00 0.00 H new ATOM 780 N ARG A 67 -3.642 -20.919 9.690 1.00 0.00 N ATOM 781 CA ARG A 67 -3.481 -19.450 9.910 1.00 0.00 C ATOM 782 C ARG A 67 -4.718 -19.064 10.702 1.00 0.00 C ATOM 783 O ARG A 67 -5.812 -19.475 10.358 1.00 0.00 O ATOM 784 CB ARG A 67 -3.537 -18.632 8.605 1.00 0.00 C ATOM 785 CG ARG A 67 -2.903 -17.252 8.818 1.00 0.00 C ATOM 786 CD ARG A 67 -1.403 -17.312 8.463 1.00 0.00 C ATOM 787 NE ARG A 67 -1.276 -17.714 7.024 1.00 0.00 N ATOM 788 CZ ARG A 67 -0.257 -18.357 6.597 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.743 -17.641 6.313 1.00 0.00 N ATOM 790 NH2 ARG A 67 -0.259 -19.626 6.465 1.00 0.00 N ATOM 0 H ARG A 67 -4.041 -21.192 8.792 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.520 -19.251 10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.012 -19.163 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.572 -18.519 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.405 -16.510 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.030 -16.938 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.934 -16.342 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.889 -18.028 9.104 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.020 -17.469 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.696 -16.629 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.598 -18.074 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.093 -20.162 6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.574 -20.104 6.121 1.00 0.00 H new ATOM 804 N LEU A 68 -4.502 -18.286 11.728 1.00 0.00 N ATOM 805 CA LEU A 68 -5.636 -17.817 12.543 1.00 0.00 C ATOM 806 C LEU A 68 -5.759 -16.313 12.376 1.00 0.00 C ATOM 807 O LEU A 68 -5.233 -15.551 13.161 1.00 0.00 O ATOM 808 CB LEU A 68 -5.403 -18.199 14.037 1.00 0.00 C ATOM 809 CG LEU A 68 -6.361 -19.344 14.403 1.00 0.00 C ATOM 810 CD1 LEU A 68 -6.055 -19.828 15.805 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.813 -18.782 14.455 1.00 0.00 C ATOM 0 H LEU A 68 -3.584 -17.960 12.030 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.563 -18.289 12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.369 -18.506 14.193 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.580 -17.337 14.680 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.252 -20.143 13.670 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.734 -20.640 16.066 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.026 -20.186 15.850 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.184 -19.007 16.510 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.504 -19.584 14.714 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.872 -17.995 15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.080 -18.373 13.481 1.00 0.00 H new ATOM 823 N PHE A 69 -6.404 -15.987 11.286 1.00 0.00 N ATOM 824 CA PHE A 69 -6.841 -14.604 11.020 1.00 0.00 C ATOM 825 C PHE A 69 -8.007 -14.291 11.911 1.00 0.00 C ATOM 826 O PHE A 69 -9.187 -14.508 11.669 1.00 0.00 O ATOM 827 CB PHE A 69 -7.082 -14.540 9.430 1.00 0.00 C ATOM 828 CG PHE A 69 -5.774 -14.080 8.870 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.664 -14.128 9.652 1.00 0.00 C ATOM 830 CD2 PHE A 69 -5.744 -13.494 7.658 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.545 -13.585 9.282 1.00 0.00 C ATOM 832 CE2 PHE A 69 -4.580 -12.929 7.248 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.472 -12.970 8.062 1.00 0.00 C ATOM 0 H PHE A 69 -6.649 -16.652 10.552 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.124 -13.820 11.263 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.363 -15.515 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.886 -13.849 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.714 -14.631 10.606 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.622 -13.474 7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.681 -13.618 9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.524 -12.447 6.283 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.546 -12.518 7.739 1.00 0.00 H new ATOM 843 N VAL A 70 -7.486 -13.747 12.986 1.00 0.00 N ATOM 844 CA VAL A 70 -8.399 -13.305 14.090 1.00 0.00 C ATOM 845 C VAL A 70 -8.422 -11.811 13.966 1.00 0.00 C ATOM 846 O VAL A 70 -7.631 -11.262 13.230 1.00 0.00 O ATOM 847 CB VAL A 70 -7.868 -13.676 15.497 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.451 -15.106 15.555 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.656 -12.857 15.964 1.00 0.00 C ATOM 0 H VAL A 70 -6.491 -13.592 13.146 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.373 -13.786 13.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.711 -13.460 16.153 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.083 -15.337 16.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.305 -15.744 15.326 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.660 -15.284 14.827 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.355 -13.187 16.958 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.829 -13.001 15.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.922 -11.800 15.997 1.00 0.00 H new ATOM 859 N ASP A 71 -9.270 -11.155 14.681 1.00 0.00 N ATOM 860 CA ASP A 71 -9.364 -9.704 14.461 1.00 0.00 C ATOM 861 C ASP A 71 -8.533 -8.912 15.466 1.00 0.00 C ATOM 862 O ASP A 71 -7.417 -9.210 15.847 1.00 0.00 O ATOM 863 CB ASP A 71 -10.899 -9.394 14.502 1.00 0.00 C ATOM 864 CG ASP A 71 -11.432 -9.205 15.909 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.143 -10.047 16.725 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.070 -8.179 16.033 1.00 0.00 O ATOM 0 H ASP A 71 -9.888 -11.547 15.391 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.939 -9.395 13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.097 -8.493 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.441 -10.209 14.021 1.00 0.00 H new ATOM 871 N LYS A 72 -9.200 -7.886 15.849 1.00 0.00 N ATOM 872 CA LYS A 72 -8.679 -6.886 16.807 1.00 0.00 C ATOM 873 C LYS A 72 -8.886 -7.254 18.261 1.00 0.00 C ATOM 874 O LYS A 72 -8.342 -6.670 19.170 1.00 0.00 O ATOM 875 CB LYS A 72 -9.376 -5.584 16.482 1.00 0.00 C ATOM 876 CG LYS A 72 -9.310 -5.239 14.969 1.00 0.00 C ATOM 877 CD LYS A 72 -10.373 -4.132 14.653 1.00 0.00 C ATOM 878 CE LYS A 72 -11.790 -4.520 15.144 1.00 0.00 C ATOM 879 NZ LYS A 72 -12.114 -5.846 14.543 1.00 0.00 N ATOM 0 H LYS A 72 -10.144 -7.682 15.520 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.597 -6.820 16.695 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.419 -5.646 16.793 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.920 -4.778 17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.312 -4.889 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.504 -6.129 14.371 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.071 -3.197 15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.400 -3.953 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.820 -4.573 16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.521 -3.771 14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.119 -5.870 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.527 -5.997 13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.922 -6.597 15.236 1.00 0.00 H new ATOM 893 N LEU A 73 -9.683 -8.235 18.397 1.00 0.00 N ATOM 894 CA LEU A 73 -10.074 -8.776 19.721 1.00 0.00 C ATOM 895 C LEU A 73 -10.067 -10.325 19.618 1.00 0.00 C ATOM 896 O LEU A 73 -11.009 -11.018 19.939 1.00 0.00 O ATOM 897 CB LEU A 73 -11.432 -8.038 19.942 1.00 0.00 C ATOM 898 CG LEU A 73 -12.672 -8.782 19.436 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.372 -9.396 20.662 1.00 0.00 C ATOM 900 CD2 LEU A 73 -13.657 -7.791 18.786 1.00 0.00 C ATOM 0 H LEU A 73 -10.112 -8.722 17.610 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.436 -8.606 20.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -11.553 -7.847 21.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.384 -7.068 19.448 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.378 -9.537 18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.263 -9.936 20.340 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.691 -10.085 21.163 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.658 -8.603 21.353 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.534 -8.331 18.430 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.963 -7.047 19.521 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.172 -7.294 17.946 1.00 0.00 H new ATOM 912 N ASP A 74 -8.938 -10.782 19.143 1.00 0.00 N ATOM 913 CA ASP A 74 -8.607 -12.216 18.927 1.00 0.00 C ATOM 914 C ASP A 74 -9.727 -13.139 18.452 1.00 0.00 C ATOM 915 O ASP A 74 -9.628 -14.341 18.615 1.00 0.00 O ATOM 916 CB ASP A 74 -7.941 -12.659 20.295 1.00 0.00 C ATOM 917 CG ASP A 74 -8.751 -13.658 21.129 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.696 -13.203 21.742 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.372 -14.821 21.102 1.00 0.00 O ATOM 0 H ASP A 74 -8.174 -10.160 18.877 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.946 -12.315 18.066 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.967 -13.098 20.080 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.763 -11.768 20.898 1.00 0.00 H new ATOM 924 N ASN A 75 -10.739 -12.572 17.853 1.00 0.00 N ATOM 925 CA ASN A 75 -11.863 -13.406 17.359 1.00 0.00 C ATOM 926 C ASN A 75 -11.809 -13.535 15.825 1.00 0.00 C ATOM 927 O ASN A 75 -11.539 -12.611 15.084 1.00 0.00 O ATOM 928 CB ASN A 75 -13.145 -12.735 17.915 1.00 0.00 C ATOM 929 CG ASN A 75 -13.323 -13.246 19.324 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.431 -14.422 19.595 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.367 -12.385 20.265 1.00 0.00 N ATOM 0 H ASN A 75 -10.833 -11.570 17.686 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.824 -14.439 17.704 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.049 -11.649 17.906 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.010 -12.984 17.300 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.492 -12.690 21.230 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.277 -11.392 20.052 1.00 0.00 H new ATOM 938 N ILE A 76 -12.074 -14.737 15.426 1.00 0.00 N ATOM 939 CA ILE A 76 -11.973 -15.166 14.010 1.00 0.00 C ATOM 940 C ILE A 76 -12.841 -14.465 13.022 1.00 0.00 C ATOM 941 O ILE A 76 -14.060 -14.429 13.037 1.00 0.00 O ATOM 942 CB ILE A 76 -12.178 -16.664 13.999 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.891 -17.028 14.764 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.091 -17.175 12.502 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.898 -18.397 15.172 1.00 0.00 C ATOM 0 H ILE A 76 -12.373 -15.480 16.058 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.985 -14.876 13.652 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.112 -17.057 14.401 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.024 -16.840 14.131 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.792 -16.386 15.639 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.237 -18.255 12.477 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.865 -16.690 11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.111 -16.932 12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.976 -18.621 15.709 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.752 -18.578 15.825 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.971 -19.038 14.294 1.00 0.00 H new ATOM 957 N ALA A 77 -12.033 -13.973 12.146 1.00 0.00 N ATOM 958 CA ALA A 77 -12.427 -13.062 11.085 1.00 0.00 C ATOM 959 C ALA A 77 -12.485 -13.788 9.726 1.00 0.00 C ATOM 960 O ALA A 77 -13.406 -13.643 8.952 1.00 0.00 O ATOM 961 CB ALA A 77 -11.352 -12.046 11.447 1.00 0.00 C ATOM 0 H ALA A 77 -11.037 -14.193 12.135 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.414 -12.609 10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.413 -11.195 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.503 -11.706 12.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.369 -12.509 11.360 1.00 0.00 H new ATOM 967 N GLN A 78 -11.480 -14.571 9.507 1.00 0.00 N ATOM 968 CA GLN A 78 -11.387 -15.391 8.243 1.00 0.00 C ATOM 969 C GLN A 78 -11.457 -16.840 8.703 1.00 0.00 C ATOM 970 O GLN A 78 -11.229 -17.111 9.866 1.00 0.00 O ATOM 971 CB GLN A 78 -10.033 -15.068 7.538 1.00 0.00 C ATOM 972 CG GLN A 78 -9.394 -16.292 6.740 1.00 0.00 C ATOM 973 CD GLN A 78 -10.282 -16.852 5.627 1.00 0.00 C ATOM 974 OE1 GLN A 78 -10.878 -16.142 4.856 1.00 0.00 O ATOM 975 NE2 GLN A 78 -10.444 -18.120 5.457 1.00 0.00 N ATOM 0 H GLN A 78 -10.697 -14.692 10.150 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.180 -15.180 7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.187 -14.240 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.319 -14.728 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.446 -15.972 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -9.168 -17.092 7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.970 -18.782 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.046 -18.461 4.707 1.00 0.00 H new ATOM 984 N VAL A 79 -11.760 -17.775 7.841 1.00 0.00 N ATOM 985 CA VAL A 79 -11.746 -19.149 8.411 1.00 0.00 C ATOM 986 C VAL A 79 -10.288 -19.607 8.581 1.00 0.00 C ATOM 987 O VAL A 79 -9.477 -19.435 7.685 1.00 0.00 O ATOM 988 CB VAL A 79 -12.515 -20.114 7.493 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.379 -21.534 8.079 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.972 -19.782 7.730 1.00 0.00 C ATOM 0 H VAL A 79 -11.996 -17.666 6.855 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.237 -19.147 9.384 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.173 -20.047 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.916 -22.241 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.326 -21.811 8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.799 -21.554 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.597 -20.426 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.215 -19.940 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.155 -18.740 7.468 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.973 -20.176 9.719 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.589 -20.641 9.951 1.00 0.00 C ATOM 1002 C PRO A 80 -8.433 -21.829 8.982 1.00 0.00 C ATOM 1003 O PRO A 80 -9.282 -22.705 8.926 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.593 -20.951 11.471 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.813 -20.096 11.963 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.849 -20.429 10.898 1.00 0.00 C ATOM 0 HA PRO A 80 -7.745 -19.980 9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.729 -22.014 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.662 -20.652 11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.142 -20.383 12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.584 -19.031 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.210 -21.456 10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.725 -19.781 10.931 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.344 -21.808 8.262 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.098 -22.835 7.215 1.00 0.00 C ATOM 1016 C ARG A 81 -5.655 -23.248 7.275 1.00 0.00 C ATOM 1017 O ARG A 81 -4.846 -22.485 7.758 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.410 -22.303 5.787 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.716 -20.990 5.593 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.768 -20.570 4.100 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.666 -21.286 3.358 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.989 -20.742 2.405 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -5.643 -20.060 1.537 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.724 -20.925 2.390 1.00 0.00 N ATOM 0 H ARG A 81 -6.605 -21.112 8.358 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.760 -23.679 7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.076 -23.020 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.486 -22.183 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.189 -20.226 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.679 -21.067 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.738 -20.821 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.647 -19.491 4.007 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.446 -22.246 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.655 -19.967 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.150 -19.611 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.281 -21.487 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.157 -20.509 1.651 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.361 -24.411 6.783 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.949 -24.905 6.842 1.00 0.00 C ATOM 1040 C VAL A 82 -3.049 -24.279 5.743 1.00 0.00 C ATOM 1041 O VAL A 82 -3.508 -23.874 4.685 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.946 -26.446 6.682 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.565 -26.923 7.035 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.874 -27.135 7.684 1.00 0.00 C ATOM 0 H VAL A 82 -6.028 -25.045 6.343 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.539 -24.608 7.807 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.263 -26.678 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.518 -28.007 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.839 -26.465 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.335 -26.643 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.837 -28.214 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.552 -26.900 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.895 -26.782 7.536 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.785 -24.203 6.074 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.685 -23.710 5.159 1.00 0.00 C ATOM 1056 C GLY A 83 -0.069 -22.381 5.656 1.00 0.00 C ATOM 1057 O GLY A 83 0.557 -21.696 4.869 1.00 0.00 O ATOM 1058 OXT GLY A 83 -0.240 -22.088 6.825 1.00 0.00 O ATOM 0 H GLY A 83 -1.444 -24.478 6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.096 -24.468 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.084 -23.571 4.154 1.00 0.00 H new