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+ -133:sc= 2.06 (180deg=0.336) USER MOD Single : A 22 THR OG1 : rot 17:sc= 1.19 USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 0.2! (180deg=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.12) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.37 (180deg=-0.71) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -0.547! (180deg=-2.24!) USER MOD Single : A 47 GLN : amide:sc= -3.21 K(o=-3.2,f=-4!) USER MOD Single : A 55 THR OG1 : rot 106:sc= 0.537 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -23:sc= 0.869 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 1.24 (180deg=-0.415) USER MOD Single : A 75 ASN : amide:sc= -1.43 K(o=-1.4,f=-7.9!) USER MOD Single : A 78 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -10.466 -31.911 6.041 1.00 0.00 N ATOM 20 CA LYS A 21 -10.320 -31.056 7.256 1.00 0.00 C ATOM 21 C LYS A 21 -9.066 -30.132 7.229 1.00 0.00 C ATOM 22 O LYS A 21 -8.314 -30.088 8.182 1.00 0.00 O ATOM 23 CB LYS A 21 -10.309 -32.030 8.472 1.00 0.00 C ATOM 24 CG LYS A 21 -11.715 -32.212 9.152 1.00 0.00 C ATOM 25 CD LYS A 21 -11.931 -31.147 10.310 1.00 0.00 C ATOM 26 CE LYS A 21 -12.606 -29.837 9.863 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.498 -28.862 10.987 1.00 0.00 N ATOM 0 HA LYS A 21 -11.151 -30.353 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.946 -33.004 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.602 -31.661 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.501 -32.105 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.798 -33.219 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.536 -31.602 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.963 -30.909 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.123 -29.444 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.651 -30.013 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.422 -28.411 11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.203 -29.360 11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.794 -28.135 10.749 1.00 0.00 H new ATOM 41 N THR A 22 -8.841 -29.399 6.165 1.00 0.00 N ATOM 42 CA THR A 22 -7.667 -28.424 6.159 1.00 0.00 C ATOM 43 C THR A 22 -8.225 -27.038 6.416 1.00 0.00 C ATOM 44 O THR A 22 -7.574 -26.051 6.159 1.00 0.00 O ATOM 45 CB THR A 22 -6.876 -28.387 4.791 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.731 -28.287 3.670 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.175 -29.704 4.515 1.00 0.00 C ATOM 0 H THR A 22 -9.397 -29.420 5.310 1.00 0.00 H new ATOM 0 HA THR A 22 -6.963 -28.754 6.923 1.00 0.00 H new ATOM 0 HB THR A 22 -6.207 -27.534 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.619 -27.992 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.642 -29.641 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.466 -29.914 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.912 -30.505 4.464 1.00 0.00 H new ATOM 55 N GLU A 23 -9.430 -27.033 6.933 1.00 0.00 N ATOM 56 CA GLU A 23 -10.183 -25.808 7.344 1.00 0.00 C ATOM 57 C GLU A 23 -10.985 -25.963 8.666 1.00 0.00 C ATOM 58 O GLU A 23 -11.425 -27.039 9.058 1.00 0.00 O ATOM 59 CB GLU A 23 -11.126 -25.422 6.162 1.00 0.00 C ATOM 60 CG GLU A 23 -11.996 -26.624 5.618 1.00 0.00 C ATOM 61 CD GLU A 23 -11.120 -27.705 4.975 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.279 -27.343 4.180 1.00 0.00 O ATOM 63 OE2 GLU A 23 -11.318 -28.858 5.315 1.00 0.00 O ATOM 0 H GLU A 23 -9.955 -27.892 7.096 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.460 -25.021 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.792 -24.623 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.524 -25.023 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.570 -27.059 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.714 -26.253 4.886 1.00 0.00 H new ATOM 70 N TRP A 24 -11.157 -24.855 9.334 1.00 0.00 N ATOM 71 CA TRP A 24 -11.940 -24.883 10.609 1.00 0.00 C ATOM 72 C TRP A 24 -12.950 -23.749 10.710 1.00 0.00 C ATOM 73 O TRP A 24 -12.806 -22.777 11.428 1.00 0.00 O ATOM 74 CB TRP A 24 -10.924 -24.868 11.751 1.00 0.00 C ATOM 75 CG TRP A 24 -10.224 -26.183 11.864 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.726 -27.074 12.705 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.117 -26.649 11.292 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.875 -28.079 12.617 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.855 -27.912 11.777 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.300 -26.058 10.364 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.739 -28.574 11.314 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.194 -26.730 9.910 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.905 -27.990 10.382 1.00 0.00 C ATOM 0 H TRP A 24 -10.796 -23.941 9.060 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.551 -25.785 10.654 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.194 -24.077 11.582 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.430 -24.640 12.689 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.615 -26.997 13.314 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.992 -28.934 13.161 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.526 -25.069 9.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.514 -29.563 11.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.547 -26.268 9.179 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.033 -28.518 10.026 1.00 0.00 H new ATOM 94 N PRO A 25 -13.982 -23.919 9.927 1.00 0.00 N ATOM 95 CA PRO A 25 -15.098 -22.956 9.896 1.00 0.00 C ATOM 96 C PRO A 25 -16.031 -23.131 11.109 1.00 0.00 C ATOM 97 O PRO A 25 -16.544 -22.161 11.628 1.00 0.00 O ATOM 98 CB PRO A 25 -15.706 -23.257 8.539 1.00 0.00 C ATOM 99 CG PRO A 25 -15.616 -24.789 8.458 1.00 0.00 C ATOM 100 CD PRO A 25 -14.186 -25.043 8.956 1.00 0.00 C ATOM 0 HA PRO A 25 -14.826 -21.905 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.736 -22.908 8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.153 -22.776 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.361 -25.277 9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.767 -25.155 7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.089 -26.017 9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.461 -25.015 8.143 1.00 0.00 H new ATOM 108 N GLU A 26 -16.237 -24.330 11.587 1.00 0.00 N ATOM 109 CA GLU A 26 -17.191 -24.529 12.729 1.00 0.00 C ATOM 110 C GLU A 26 -16.677 -23.768 13.964 1.00 0.00 C ATOM 111 O GLU A 26 -17.386 -23.468 14.912 1.00 0.00 O ATOM 112 CB GLU A 26 -17.286 -26.039 12.996 1.00 0.00 C ATOM 113 CG GLU A 26 -15.930 -26.566 13.552 1.00 0.00 C ATOM 114 CD GLU A 26 -14.765 -26.389 12.608 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.612 -27.242 11.767 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.079 -25.402 12.757 1.00 0.00 O ATOM 0 H GLU A 26 -15.790 -25.179 11.241 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.182 -24.141 12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.085 -26.241 13.710 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.540 -26.564 12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.708 -26.050 14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.034 -27.625 13.789 1.00 0.00 H new ATOM 123 N LEU A 27 -15.409 -23.450 13.935 1.00 0.00 N ATOM 124 CA LEU A 27 -14.829 -22.713 15.067 1.00 0.00 C ATOM 125 C LEU A 27 -14.720 -21.177 14.846 1.00 0.00 C ATOM 126 O LEU A 27 -14.042 -20.475 15.570 1.00 0.00 O ATOM 127 CB LEU A 27 -13.474 -23.437 15.352 1.00 0.00 C ATOM 128 CG LEU A 27 -12.306 -23.225 14.423 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.884 -21.790 14.293 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.126 -24.015 14.985 1.00 0.00 C ATOM 0 H LEU A 27 -14.764 -23.672 13.177 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.479 -22.740 15.941 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.152 -23.145 16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.676 -24.508 15.382 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.614 -23.554 13.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.039 -21.720 13.608 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.715 -21.200 13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.592 -21.407 15.271 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.259 -23.885 14.337 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.889 -23.652 15.985 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.387 -25.072 15.035 1.00 0.00 H new ATOM 142 N VAL A 28 -15.406 -20.659 13.862 1.00 0.00 N ATOM 143 CA VAL A 28 -15.386 -19.167 13.663 1.00 0.00 C ATOM 144 C VAL A 28 -16.248 -18.514 14.778 1.00 0.00 C ATOM 145 O VAL A 28 -17.002 -19.205 15.441 1.00 0.00 O ATOM 146 CB VAL A 28 -15.958 -18.884 12.261 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.057 -17.374 12.001 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.007 -19.468 11.192 1.00 0.00 C ATOM 0 H VAL A 28 -15.971 -21.186 13.196 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.380 -18.753 13.727 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.948 -19.337 12.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.464 -17.202 11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.712 -16.919 12.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.065 -16.927 12.070 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.410 -19.269 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.025 -19.003 11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.914 -20.544 11.337 1.00 0.00 H new ATOM 158 N GLY A 29 -16.121 -17.225 14.984 1.00 0.00 N ATOM 159 CA GLY A 29 -16.954 -16.531 16.046 1.00 0.00 C ATOM 160 C GLY A 29 -16.382 -16.614 17.471 1.00 0.00 C ATOM 161 O GLY A 29 -16.996 -16.142 18.404 1.00 0.00 O ATOM 0 H GLY A 29 -15.483 -16.617 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.063 -15.481 15.774 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.954 -16.966 16.045 1.00 0.00 H new ATOM 165 N LYS A 30 -15.241 -17.228 17.581 1.00 0.00 N ATOM 166 CA LYS A 30 -14.508 -17.422 18.872 1.00 0.00 C ATOM 167 C LYS A 30 -13.052 -16.973 18.679 1.00 0.00 C ATOM 168 O LYS A 30 -12.658 -16.774 17.549 1.00 0.00 O ATOM 169 CB LYS A 30 -14.540 -18.897 19.206 1.00 0.00 C ATOM 170 CG LYS A 30 -16.036 -19.414 19.340 1.00 0.00 C ATOM 171 CD LYS A 30 -16.095 -20.972 19.217 1.00 0.00 C ATOM 172 CE LYS A 30 -15.807 -21.403 17.766 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.070 -21.545 16.940 1.00 0.00 N ATOM 0 H LYS A 30 -14.754 -17.629 16.780 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.965 -16.843 19.674 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.024 -19.461 18.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.004 -19.075 20.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.449 -19.104 20.300 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.654 -18.959 18.566 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.367 -21.425 19.890 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.078 -21.331 19.522 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.150 -20.670 17.297 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.272 -22.353 17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.074 -22.472 16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.901 -21.469 17.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.103 -20.792 16.224 1.00 0.00 H new ATOM 187 N SER A 31 -12.312 -16.849 19.747 1.00 0.00 N ATOM 188 CA SER A 31 -10.871 -16.445 19.666 1.00 0.00 C ATOM 189 C SER A 31 -9.928 -17.577 19.484 1.00 0.00 C ATOM 190 O SER A 31 -10.127 -18.762 19.708 1.00 0.00 O ATOM 191 CB SER A 31 -10.540 -15.619 20.943 1.00 0.00 C ATOM 192 OG SER A 31 -11.107 -16.400 21.994 1.00 0.00 O ATOM 0 H SER A 31 -12.650 -17.014 20.695 1.00 0.00 H new ATOM 0 HA SER A 31 -10.735 -15.845 18.766 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.465 -15.491 21.072 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.978 -14.622 20.902 1.00 0.00 H new ATOM 0 HG SER A 31 -10.947 -15.957 22.853 1.00 0.00 H new ATOM 198 N VAL A 32 -8.848 -17.048 19.017 1.00 0.00 N ATOM 199 CA VAL A 32 -7.756 -17.890 18.570 1.00 0.00 C ATOM 200 C VAL A 32 -7.373 -19.042 19.495 1.00 0.00 C ATOM 201 O VAL A 32 -7.277 -20.178 19.083 1.00 0.00 O ATOM 202 CB VAL A 32 -6.640 -16.906 18.301 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.652 -16.814 19.506 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.900 -17.344 17.017 1.00 0.00 C ATOM 0 H VAL A 32 -8.684 -16.045 18.929 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.039 -18.462 17.686 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.065 -15.911 18.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.864 -16.097 19.276 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.192 -16.487 20.395 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.210 -17.793 19.690 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.091 -16.645 16.807 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.489 -18.344 17.157 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.598 -17.353 16.180 1.00 0.00 H new ATOM 214 N GLU A 33 -7.160 -18.761 20.750 1.00 0.00 N ATOM 215 CA GLU A 33 -6.762 -19.851 21.681 1.00 0.00 C ATOM 216 C GLU A 33 -7.744 -21.001 21.666 1.00 0.00 C ATOM 217 O GLU A 33 -7.360 -22.155 21.652 1.00 0.00 O ATOM 218 CB GLU A 33 -6.602 -19.205 23.082 1.00 0.00 C ATOM 219 CG GLU A 33 -5.073 -18.991 23.327 1.00 0.00 C ATOM 220 CD GLU A 33 -4.317 -20.325 23.289 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.727 -21.192 24.046 1.00 0.00 O ATOM 222 OE2 GLU A 33 -3.380 -20.405 22.504 1.00 0.00 O ATOM 0 H GLU A 33 -7.243 -17.834 21.167 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.819 -20.301 21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.135 -18.255 23.130 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.028 -19.848 23.852 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.670 -18.319 22.569 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.920 -18.510 24.293 1.00 0.00 H new ATOM 229 N GLU A 34 -8.992 -20.665 21.652 1.00 0.00 N ATOM 230 CA GLU A 34 -10.052 -21.718 21.610 1.00 0.00 C ATOM 231 C GLU A 34 -9.936 -22.407 20.241 1.00 0.00 C ATOM 232 O GLU A 34 -9.943 -23.624 20.132 1.00 0.00 O ATOM 233 CB GLU A 34 -11.421 -21.034 21.816 1.00 0.00 C ATOM 234 CG GLU A 34 -11.460 -20.386 23.243 1.00 0.00 C ATOM 235 CD GLU A 34 -11.123 -21.395 24.352 1.00 0.00 C ATOM 236 OE1 GLU A 34 -9.938 -21.532 24.598 1.00 0.00 O ATOM 237 OE2 GLU A 34 -12.050 -21.977 24.889 1.00 0.00 O ATOM 0 H GLU A 34 -9.336 -19.705 21.668 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.943 -22.469 22.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.580 -20.272 21.053 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.225 -21.762 21.712 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.753 -19.557 23.282 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.451 -19.969 23.423 1.00 0.00 H new ATOM 244 N ALA A 35 -9.824 -21.617 19.200 1.00 0.00 N ATOM 245 CA ALA A 35 -9.643 -22.245 17.855 1.00 0.00 C ATOM 246 C ALA A 35 -8.486 -23.265 17.863 1.00 0.00 C ATOM 247 O ALA A 35 -8.641 -24.384 17.423 1.00 0.00 O ATOM 248 CB ALA A 35 -9.360 -21.155 16.835 1.00 0.00 C ATOM 0 H ALA A 35 -9.849 -20.597 19.220 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.557 -22.779 17.594 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.226 -21.604 15.851 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.197 -20.458 16.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.453 -20.620 17.116 1.00 0.00 H new ATOM 254 N LYS A 36 -7.347 -22.874 18.377 1.00 0.00 N ATOM 255 CA LYS A 36 -6.187 -23.797 18.379 1.00 0.00 C ATOM 256 C LYS A 36 -6.631 -25.084 19.012 1.00 0.00 C ATOM 257 O LYS A 36 -6.453 -26.149 18.466 1.00 0.00 O ATOM 258 CB LYS A 36 -5.030 -23.198 19.183 1.00 0.00 C ATOM 259 CG LYS A 36 -4.528 -21.889 18.547 1.00 0.00 C ATOM 260 CD LYS A 36 -3.597 -21.211 19.575 1.00 0.00 C ATOM 261 CE LYS A 36 -2.318 -22.029 19.808 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.521 -21.378 20.889 1.00 0.00 N ATOM 0 H LYS A 36 -7.177 -21.958 18.792 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.839 -23.966 17.360 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.355 -23.007 20.206 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.212 -23.916 19.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.994 -22.092 17.619 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.365 -21.237 18.297 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.332 -20.214 19.224 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.127 -21.087 20.519 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.570 -23.052 20.089 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.733 -22.085 18.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.774 -22.027 21.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.088 -20.506 20.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.144 -21.147 21.689 1.00 0.00 H new ATOM 276 N LYS A 37 -7.231 -24.918 20.153 1.00 0.00 N ATOM 277 CA LYS A 37 -7.682 -26.089 20.925 1.00 0.00 C ATOM 278 C LYS A 37 -8.506 -27.022 20.029 1.00 0.00 C ATOM 279 O LYS A 37 -8.301 -28.219 20.009 1.00 0.00 O ATOM 280 CB LYS A 37 -8.488 -25.591 22.134 1.00 0.00 C ATOM 281 CG LYS A 37 -7.553 -24.853 23.131 1.00 0.00 C ATOM 282 CD LYS A 37 -8.428 -24.408 24.335 1.00 0.00 C ATOM 283 CE LYS A 37 -7.731 -23.400 25.254 1.00 0.00 C ATOM 284 NZ LYS A 37 -7.412 -22.168 24.468 1.00 0.00 N ATOM 0 H LYS A 37 -7.427 -24.013 20.582 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.830 -26.665 21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.280 -24.920 21.802 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.971 -26.433 22.631 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.748 -25.509 23.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.086 -23.991 22.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.352 -23.968 23.960 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.706 -25.287 24.917 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.374 -23.152 26.099 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.818 -23.832 25.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.597 -21.684 24.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.183 -22.431 23.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.234 -21.531 24.472 1.00 0.00 H new ATOM 298 N VAL A 38 -9.414 -26.436 19.300 1.00 0.00 N ATOM 299 CA VAL A 38 -10.253 -27.238 18.335 1.00 0.00 C ATOM 300 C VAL A 38 -9.388 -27.910 17.275 1.00 0.00 C ATOM 301 O VAL A 38 -9.359 -29.104 17.063 1.00 0.00 O ATOM 302 CB VAL A 38 -11.236 -26.345 17.551 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.039 -27.187 16.525 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.185 -25.536 18.422 1.00 0.00 C ATOM 0 H VAL A 38 -9.619 -25.437 19.323 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.782 -27.967 18.949 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.613 -25.616 17.033 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.727 -26.539 15.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.351 -27.657 15.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.604 -27.958 17.049 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.840 -24.938 17.788 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.787 -26.212 19.030 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.610 -24.878 19.073 1.00 0.00 H new ATOM 314 N ILE A 39 -8.671 -27.065 16.618 1.00 0.00 N ATOM 315 CA ILE A 39 -7.828 -27.477 15.475 1.00 0.00 C ATOM 316 C ILE A 39 -6.889 -28.594 15.869 1.00 0.00 C ATOM 317 O ILE A 39 -6.725 -29.570 15.177 1.00 0.00 O ATOM 318 CB ILE A 39 -7.117 -26.232 15.040 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.174 -25.249 14.527 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.230 -26.580 13.905 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.503 -24.009 13.943 1.00 0.00 C ATOM 0 H ILE A 39 -8.631 -26.068 16.831 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.411 -27.888 14.651 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.543 -25.802 15.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.790 -25.730 13.767 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.839 -24.962 15.341 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.701 -25.688 13.570 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.508 -27.332 14.224 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.828 -26.977 13.084 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.265 -23.319 13.582 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.907 -23.521 14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.857 -24.301 13.115 1.00 0.00 H new ATOM 333 N LEU A 40 -6.275 -28.425 16.985 1.00 0.00 N ATOM 334 CA LEU A 40 -5.383 -29.455 17.522 1.00 0.00 C ATOM 335 C LEU A 40 -6.179 -30.755 17.694 1.00 0.00 C ATOM 336 O LEU A 40 -5.628 -31.816 17.476 1.00 0.00 O ATOM 337 CB LEU A 40 -4.860 -28.908 18.837 1.00 0.00 C ATOM 338 CG LEU A 40 -3.942 -27.688 18.662 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.523 -27.165 20.028 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.683 -28.062 17.912 1.00 0.00 C ATOM 0 H LEU A 40 -6.358 -27.590 17.564 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.544 -29.687 16.866 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.704 -28.632 19.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.314 -29.694 19.359 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.495 -26.933 18.103 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.872 -26.300 19.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.408 -26.874 20.593 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.988 -27.946 20.568 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.050 -27.181 17.801 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.143 -28.829 18.467 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.947 -28.445 16.926 1.00 0.00 H new ATOM 352 N GLN A 41 -7.425 -30.658 18.078 1.00 0.00 N ATOM 353 CA GLN A 41 -8.213 -31.917 18.242 1.00 0.00 C ATOM 354 C GLN A 41 -8.365 -32.651 16.895 1.00 0.00 C ATOM 355 O GLN A 41 -8.297 -33.863 16.813 1.00 0.00 O ATOM 356 CB GLN A 41 -9.544 -31.480 18.856 1.00 0.00 C ATOM 357 CG GLN A 41 -10.448 -32.684 19.139 1.00 0.00 C ATOM 358 CD GLN A 41 -11.758 -32.172 19.716 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.405 -31.281 19.211 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.224 -32.698 20.795 1.00 0.00 N ATOM 0 H GLN A 41 -7.920 -29.790 18.280 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.722 -32.643 18.890 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.359 -30.936 19.782 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.051 -30.793 18.179 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.630 -33.246 18.223 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.965 -33.365 19.840 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.714 -33.451 21.256 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.103 -32.361 21.188 1.00 0.00 H new ATOM 369 N ASP A 42 -8.568 -31.864 15.885 1.00 0.00 N ATOM 370 CA ASP A 42 -8.729 -32.356 14.473 1.00 0.00 C ATOM 371 C ASP A 42 -7.392 -32.774 13.788 1.00 0.00 C ATOM 372 O ASP A 42 -7.278 -33.800 13.145 1.00 0.00 O ATOM 373 CB ASP A 42 -9.423 -31.207 13.675 1.00 0.00 C ATOM 374 CG ASP A 42 -10.788 -30.776 14.234 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.106 -31.114 15.360 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.399 -30.097 13.408 1.00 0.00 O ATOM 0 H ASP A 42 -8.634 -30.850 15.974 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.326 -33.268 14.486 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.761 -30.341 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.553 -31.527 12.641 1.00 0.00 H new ATOM 381 N LYS A 43 -6.395 -31.953 13.926 1.00 0.00 N ATOM 382 CA LYS A 43 -5.051 -32.228 13.334 1.00 0.00 C ATOM 383 C LYS A 43 -3.960 -32.162 14.449 1.00 0.00 C ATOM 384 O LYS A 43 -3.120 -31.288 14.448 1.00 0.00 O ATOM 385 CB LYS A 43 -4.866 -31.174 12.207 1.00 0.00 C ATOM 386 CG LYS A 43 -3.546 -31.430 11.464 1.00 0.00 C ATOM 387 CD LYS A 43 -3.446 -30.520 10.216 1.00 0.00 C ATOM 388 CE LYS A 43 -2.095 -30.722 9.507 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.022 -30.220 10.407 1.00 0.00 N ATOM 0 H LYS A 43 -6.453 -31.074 14.440 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.961 -33.227 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.702 -31.224 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.866 -30.170 12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.704 -31.240 12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.486 -32.476 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.261 -30.745 9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.556 -29.476 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.938 -31.776 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.079 -30.185 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.360 -29.631 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.445 -29.652 11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.510 -31.026 10.820 1.00 0.00 H new ATOM 403 N PRO A 44 -4.008 -33.099 15.375 1.00 0.00 N ATOM 404 CA PRO A 44 -3.077 -33.218 16.536 1.00 0.00 C ATOM 405 C PRO A 44 -1.802 -32.348 16.634 1.00 0.00 C ATOM 406 O PRO A 44 -1.621 -31.624 17.592 1.00 0.00 O ATOM 407 CB PRO A 44 -2.839 -34.717 16.512 1.00 0.00 C ATOM 408 CG PRO A 44 -4.286 -35.255 16.348 1.00 0.00 C ATOM 409 CD PRO A 44 -4.991 -34.228 15.408 1.00 0.00 C ATOM 0 HA PRO A 44 -3.518 -32.792 17.437 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.193 -35.017 15.687 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.370 -35.073 17.429 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.289 -36.255 15.914 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.794 -35.323 17.310 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.169 -34.641 14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.958 -33.914 15.801 1.00 0.00 H new ATOM 417 N GLU A 45 -0.959 -32.436 15.651 1.00 0.00 N ATOM 418 CA GLU A 45 0.328 -31.703 15.587 1.00 0.00 C ATOM 419 C GLU A 45 0.275 -30.239 15.085 1.00 0.00 C ATOM 420 O GLU A 45 1.285 -29.565 14.971 1.00 0.00 O ATOM 421 CB GLU A 45 1.189 -32.640 14.719 1.00 0.00 C ATOM 422 CG GLU A 45 0.443 -33.293 13.464 1.00 0.00 C ATOM 423 CD GLU A 45 -0.267 -32.338 12.499 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.060 -31.138 12.530 1.00 0.00 O ATOM 425 OE2 GLU A 45 -1.026 -32.853 11.706 1.00 0.00 O ATOM 0 H GLU A 45 -1.125 -33.027 14.836 1.00 0.00 H new ATOM 0 HA GLU A 45 0.733 -31.518 16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.051 -32.081 14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.572 -33.442 15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.176 -33.865 12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.294 -34.003 13.840 1.00 0.00 H new ATOM 432 N ALA A 46 -0.905 -29.768 14.790 1.00 0.00 N ATOM 433 CA ALA A 46 -1.090 -28.386 14.289 1.00 0.00 C ATOM 434 C ALA A 46 -0.555 -27.260 15.227 1.00 0.00 C ATOM 435 O ALA A 46 -1.291 -26.679 15.991 1.00 0.00 O ATOM 436 CB ALA A 46 -2.610 -28.262 14.006 1.00 0.00 C ATOM 0 H ALA A 46 -1.769 -30.302 14.880 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.485 -28.231 13.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.830 -27.263 13.630 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.903 -29.002 13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.167 -28.434 14.927 1.00 0.00 H new ATOM 442 N GLN A 47 0.706 -26.919 15.168 1.00 0.00 N ATOM 443 CA GLN A 47 1.197 -25.832 16.090 1.00 0.00 C ATOM 444 C GLN A 47 0.562 -24.594 15.458 1.00 0.00 C ATOM 445 O GLN A 47 0.925 -24.196 14.372 1.00 0.00 O ATOM 446 CB GLN A 47 2.747 -25.746 16.051 1.00 0.00 C ATOM 447 CG GLN A 47 3.266 -24.693 17.107 1.00 0.00 C ATOM 448 CD GLN A 47 3.004 -23.216 16.760 1.00 0.00 C ATOM 449 OE1 GLN A 47 2.905 -22.377 17.627 1.00 0.00 O ATOM 450 NE2 GLN A 47 2.880 -22.768 15.554 1.00 0.00 N ATOM 0 H GLN A 47 1.404 -27.326 14.545 1.00 0.00 H new ATOM 0 HA GLN A 47 0.940 -25.976 17.139 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.177 -26.725 16.262 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.077 -25.462 15.052 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.800 -24.910 18.068 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.339 -24.832 17.235 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.950 -23.408 14.763 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.712 -21.775 15.394 1.00 0.00 H new ATOM 459 N ILE A 48 -0.388 -24.013 16.136 1.00 0.00 N ATOM 460 CA ILE A 48 -1.086 -22.836 15.512 1.00 0.00 C ATOM 461 C ILE A 48 -0.804 -21.441 16.068 1.00 0.00 C ATOM 462 O ILE A 48 -0.482 -21.248 17.224 1.00 0.00 O ATOM 463 CB ILE A 48 -2.542 -23.193 15.587 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.776 -24.376 14.627 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.461 -22.015 15.187 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.884 -25.216 15.137 1.00 0.00 C ATOM 0 H ILE A 48 -0.709 -24.284 17.065 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.695 -22.705 14.503 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.790 -23.450 16.617 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.015 -24.007 13.630 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.867 -24.970 14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.503 -22.326 15.258 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.287 -21.174 15.858 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.242 -21.714 14.163 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.049 -26.052 14.458 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.627 -25.597 16.125 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.793 -24.618 15.204 1.00 0.00 H new ATOM 478 N ILE A 49 -0.954 -20.484 15.191 1.00 0.00 N ATOM 479 CA ILE A 49 -0.690 -19.051 15.566 1.00 0.00 C ATOM 480 C ILE A 49 -1.883 -18.100 15.300 1.00 0.00 C ATOM 481 O ILE A 49 -2.821 -18.378 14.576 1.00 0.00 O ATOM 482 CB ILE A 49 0.552 -18.584 14.785 1.00 0.00 C ATOM 483 CG1 ILE A 49 1.776 -19.526 14.970 1.00 0.00 C ATOM 484 CG2 ILE A 49 0.958 -17.100 15.080 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.354 -19.399 16.394 1.00 0.00 C ATOM 0 H ILE A 49 -1.249 -20.627 14.225 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.529 -19.010 16.643 1.00 0.00 H new ATOM 0 HB ILE A 49 0.245 -18.633 13.740 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.478 -20.558 14.784 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.544 -19.279 14.237 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.840 -16.841 14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.136 -16.437 14.809 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.180 -16.988 16.141 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.209 -20.067 16.501 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.673 -18.371 16.567 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.590 -19.669 17.122 1.00 0.00 H new ATOM 497 N VAL A 50 -1.769 -16.974 15.940 1.00 0.00 N ATOM 498 CA VAL A 50 -2.746 -15.846 15.869 1.00 0.00 C ATOM 499 C VAL A 50 -2.242 -14.635 15.053 1.00 0.00 C ATOM 500 O VAL A 50 -1.242 -14.019 15.374 1.00 0.00 O ATOM 501 CB VAL A 50 -3.058 -15.474 17.341 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.805 -15.073 18.143 1.00 0.00 C ATOM 503 CG2 VAL A 50 -4.076 -14.321 17.413 1.00 0.00 C ATOM 0 H VAL A 50 -0.980 -16.775 16.555 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.641 -16.155 15.330 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.473 -16.377 17.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.091 -14.824 19.165 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.100 -15.904 18.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.336 -14.206 17.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.278 -14.079 18.456 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.669 -13.444 16.909 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.003 -14.623 16.924 1.00 0.00 H new ATOM 513 N LEU A 51 -2.964 -14.340 14.000 1.00 0.00 N ATOM 514 CA LEU A 51 -2.627 -13.192 13.099 1.00 0.00 C ATOM 515 C LEU A 51 -3.881 -12.285 12.894 1.00 0.00 C ATOM 516 O LEU A 51 -4.953 -12.824 12.686 1.00 0.00 O ATOM 517 CB LEU A 51 -2.206 -13.692 11.714 1.00 0.00 C ATOM 518 CG LEU A 51 -0.916 -14.538 11.604 1.00 0.00 C ATOM 519 CD1 LEU A 51 -1.165 -15.990 12.072 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.567 -14.543 10.094 1.00 0.00 C ATOM 0 H LEU A 51 -3.795 -14.861 13.720 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.813 -12.639 13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.028 -14.283 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.090 -12.822 11.067 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.119 -14.129 12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.242 -16.564 11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.493 -15.986 13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.936 -16.446 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.340 -15.125 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.388 -14.988 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.407 -13.520 9.754 1.00 0.00 H new ATOM 532 N PRO A 52 -3.760 -10.967 12.940 1.00 0.00 N ATOM 533 CA PRO A 52 -4.923 -10.025 12.726 1.00 0.00 C ATOM 534 C PRO A 52 -5.272 -9.987 11.218 1.00 0.00 C ATOM 535 O PRO A 52 -4.363 -9.907 10.420 1.00 0.00 O ATOM 536 CB PRO A 52 -4.407 -8.693 13.272 1.00 0.00 C ATOM 537 CG PRO A 52 -2.892 -8.752 12.906 1.00 0.00 C ATOM 538 CD PRO A 52 -2.490 -10.226 13.210 1.00 0.00 C ATOM 0 HA PRO A 52 -5.849 -10.311 13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.905 -7.842 12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.563 -8.606 14.347 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.724 -8.500 11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.310 -8.048 13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.677 -10.566 12.568 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.157 -10.352 14.240 1.00 0.00 H new ATOM 546 N VAL A 53 -6.518 -10.038 10.825 1.00 0.00 N ATOM 547 CA VAL A 53 -6.824 -10.046 9.349 1.00 0.00 C ATOM 548 C VAL A 53 -6.016 -9.073 8.528 1.00 0.00 C ATOM 549 O VAL A 53 -5.953 -7.887 8.780 1.00 0.00 O ATOM 550 CB VAL A 53 -8.295 -9.786 9.112 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.585 -9.783 7.581 1.00 0.00 C ATOM 552 CG2 VAL A 53 -9.046 -10.973 9.723 1.00 0.00 C ATOM 0 H VAL A 53 -7.329 -10.074 11.443 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.541 -11.043 9.012 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.594 -8.831 9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.645 -9.596 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.997 -9.001 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.316 -10.751 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.118 -10.838 9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.728 -11.895 9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.827 -11.033 10.789 1.00 0.00 H new ATOM 562 N GLY A 54 -5.421 -9.682 7.538 1.00 0.00 N ATOM 563 CA GLY A 54 -4.514 -8.914 6.607 1.00 0.00 C ATOM 564 C GLY A 54 -3.069 -9.422 6.629 1.00 0.00 C ATOM 565 O GLY A 54 -2.436 -9.487 5.595 1.00 0.00 O ATOM 0 H GLY A 54 -5.517 -10.675 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.902 -8.983 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.527 -7.860 6.883 1.00 0.00 H new ATOM 569 N THR A 55 -2.594 -9.756 7.805 1.00 0.00 N ATOM 570 CA THR A 55 -1.210 -10.275 8.022 1.00 0.00 C ATOM 571 C THR A 55 -0.808 -11.384 7.051 1.00 0.00 C ATOM 572 O THR A 55 -1.604 -11.946 6.331 1.00 0.00 O ATOM 573 CB THR A 55 -1.202 -10.762 9.403 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.730 -9.714 10.197 1.00 0.00 O ATOM 575 CG2 THR A 55 0.012 -10.868 10.083 1.00 0.00 C ATOM 0 H THR A 55 -3.140 -9.685 8.664 1.00 0.00 H new ATOM 0 HA THR A 55 -0.480 -9.486 7.842 1.00 0.00 H new ATOM 0 HB THR A 55 -1.682 -11.735 9.301 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.643 -9.941 10.473 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.167 -11.244 11.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.669 -11.556 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.484 -9.887 10.140 1.00 0.00 H new ATOM 583 N ILE A 56 0.451 -11.698 7.056 1.00 0.00 N ATOM 584 CA ILE A 56 0.951 -12.763 6.124 1.00 0.00 C ATOM 585 C ILE A 56 0.260 -14.150 6.179 1.00 0.00 C ATOM 586 O ILE A 56 0.255 -14.863 7.170 1.00 0.00 O ATOM 587 CB ILE A 56 2.474 -12.957 6.367 1.00 0.00 C ATOM 588 CG1 ILE A 56 3.239 -11.622 6.123 1.00 0.00 C ATOM 589 CG2 ILE A 56 3.036 -14.076 5.421 1.00 0.00 C ATOM 590 CD1 ILE A 56 3.232 -11.160 4.644 1.00 0.00 C ATOM 0 H ILE A 56 1.158 -11.273 7.656 1.00 0.00 H new ATOM 0 HA ILE A 56 0.706 -12.385 5.132 1.00 0.00 H new ATOM 0 HB ILE A 56 2.622 -13.261 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.795 -10.841 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.271 -11.740 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.104 -14.202 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.521 -15.015 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.875 -13.789 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.784 -10.224 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.703 -11.921 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.204 -11.009 4.315 1.00 0.00 H new ATOM 602 N VAL A 57 -0.310 -14.475 5.054 1.00 0.00 N ATOM 603 CA VAL A 57 -0.946 -15.813 4.812 1.00 0.00 C ATOM 604 C VAL A 57 -0.251 -16.620 3.753 1.00 0.00 C ATOM 605 O VAL A 57 0.507 -17.531 4.044 1.00 0.00 O ATOM 606 CB VAL A 57 -2.483 -15.693 4.442 1.00 0.00 C ATOM 607 CG1 VAL A 57 -3.335 -16.634 5.320 1.00 0.00 C ATOM 608 CG2 VAL A 57 -3.011 -14.297 4.738 1.00 0.00 C ATOM 0 H VAL A 57 -0.366 -13.844 4.254 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.845 -16.338 5.762 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.558 -15.940 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.386 -16.534 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.016 -17.665 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.205 -16.369 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.067 -14.244 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.890 -14.080 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.454 -13.566 4.153 1.00 0.00 H new ATOM 618 N THR A 58 -0.488 -16.274 2.541 1.00 0.00 N ATOM 619 CA THR A 58 0.118 -17.057 1.444 1.00 0.00 C ATOM 620 C THR A 58 1.531 -16.833 0.909 1.00 0.00 C ATOM 621 O THR A 58 1.808 -16.230 -0.108 1.00 0.00 O ATOM 622 CB THR A 58 -0.875 -17.010 0.304 1.00 0.00 C ATOM 623 OG1 THR A 58 -2.099 -16.415 0.719 1.00 0.00 O ATOM 624 CG2 THR A 58 -1.153 -18.428 -0.080 1.00 0.00 C ATOM 0 H THR A 58 -1.071 -15.488 2.254 1.00 0.00 H new ATOM 0 HA THR A 58 0.309 -18.013 1.932 1.00 0.00 H new ATOM 0 HB THR A 58 -0.468 -16.424 -0.520 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.725 -16.394 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.868 -18.449 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.226 -18.909 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.568 -18.962 0.775 1.00 0.00 H new ATOM 632 N MET A 59 2.351 -17.394 1.746 1.00 0.00 N ATOM 633 CA MET A 59 3.832 -17.497 1.584 1.00 0.00 C ATOM 634 C MET A 59 4.051 -18.915 1.050 1.00 0.00 C ATOM 635 O MET A 59 3.471 -19.353 0.076 1.00 0.00 O ATOM 636 CB MET A 59 4.471 -17.209 2.985 1.00 0.00 C ATOM 637 CG MET A 59 5.994 -16.904 2.780 1.00 0.00 C ATOM 638 SD MET A 59 6.394 -15.393 1.860 1.00 0.00 S ATOM 639 CE MET A 59 7.412 -14.564 3.107 1.00 0.00 C ATOM 0 H MET A 59 2.024 -17.823 2.612 1.00 0.00 H new ATOM 0 HA MET A 59 4.295 -16.789 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.975 -16.363 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 59 4.341 -18.067 3.645 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.466 -16.842 3.761 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.446 -17.750 2.262 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.755 -13.605 2.718 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.821 -14.400 4.008 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.274 -15.187 3.346 1.00 0.00 H new ATOM 649 N GLU A 60 4.920 -19.577 1.728 1.00 0.00 N ATOM 650 CA GLU A 60 5.187 -21.006 1.499 1.00 0.00 C ATOM 651 C GLU A 60 4.053 -21.728 2.288 1.00 0.00 C ATOM 652 O GLU A 60 3.119 -21.079 2.725 1.00 0.00 O ATOM 653 CB GLU A 60 6.639 -21.209 1.999 1.00 0.00 C ATOM 654 CG GLU A 60 6.834 -21.455 3.512 1.00 0.00 C ATOM 655 CD GLU A 60 6.665 -20.170 4.283 1.00 0.00 C ATOM 656 OE1 GLU A 60 5.542 -19.872 4.632 1.00 0.00 O ATOM 657 OE2 GLU A 60 7.664 -19.521 4.515 1.00 0.00 O ATOM 0 H GLU A 60 5.486 -19.165 2.470 1.00 0.00 H new ATOM 0 HA GLU A 60 5.158 -21.395 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.067 -22.055 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.219 -20.328 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.113 -22.193 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.826 -21.867 3.694 1.00 0.00 H new ATOM 664 N TYR A 61 4.109 -23.020 2.467 1.00 0.00 N ATOM 665 CA TYR A 61 2.984 -23.740 3.183 1.00 0.00 C ATOM 666 C TYR A 61 3.459 -24.423 4.482 1.00 0.00 C ATOM 667 O TYR A 61 4.064 -25.477 4.415 1.00 0.00 O ATOM 668 CB TYR A 61 2.409 -24.793 2.240 1.00 0.00 C ATOM 669 CG TYR A 61 1.054 -25.306 2.761 1.00 0.00 C ATOM 670 CD1 TYR A 61 -0.069 -24.545 2.573 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.918 -26.519 3.383 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.320 -24.982 2.984 1.00 0.00 C ATOM 673 CE2 TYR A 61 -0.331 -26.946 3.794 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.460 -26.198 3.604 1.00 0.00 C ATOM 675 OH TYR A 61 -2.684 -26.670 4.048 1.00 0.00 O ATOM 0 H TYR A 61 4.875 -23.617 2.155 1.00 0.00 H new ATOM 0 HA TYR A 61 2.230 -23.004 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.284 -24.368 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.107 -25.625 2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.021 -23.582 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.785 -27.141 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.188 -24.362 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.418 -27.905 4.283 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.293 -25.916 4.192 1.00 0.00 H new ATOM 685 N ARG A 62 3.173 -23.825 5.606 1.00 0.00 N ATOM 686 CA ARG A 62 3.615 -24.455 6.889 1.00 0.00 C ATOM 687 C ARG A 62 2.526 -25.358 7.382 1.00 0.00 C ATOM 688 O ARG A 62 1.855 -25.141 8.370 1.00 0.00 O ATOM 689 CB ARG A 62 3.890 -23.392 7.948 1.00 0.00 C ATOM 690 CG ARG A 62 5.285 -22.930 7.895 1.00 0.00 C ATOM 691 CD ARG A 62 5.436 -22.082 6.661 1.00 0.00 C ATOM 692 NE ARG A 62 6.848 -21.684 6.717 1.00 0.00 N ATOM 693 CZ ARG A 62 7.215 -20.728 7.470 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.066 -19.534 7.078 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.713 -21.082 8.576 1.00 0.00 N ATOM 0 H ARG A 62 2.663 -22.946 5.696 1.00 0.00 H new ATOM 0 HA ARG A 62 4.532 -25.016 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.219 -22.546 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.677 -23.798 8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.532 -22.355 8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.969 -23.778 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.208 -22.642 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.771 -21.219 6.678 1.00 0.00 H new ATOM 0 HE ARG A 62 7.537 -22.177 6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.654 -19.345 6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.358 -18.761 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.795 -22.073 8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.033 -20.377 9.240 1.00 0.00 H new ATOM 709 N ILE A 63 2.362 -26.399 6.630 1.00 0.00 N ATOM 710 CA ILE A 63 1.332 -27.433 6.977 1.00 0.00 C ATOM 711 C ILE A 63 1.240 -27.820 8.456 1.00 0.00 C ATOM 712 O ILE A 63 0.210 -28.210 8.971 1.00 0.00 O ATOM 713 CB ILE A 63 1.640 -28.673 6.068 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.733 -29.853 6.401 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.090 -29.118 6.309 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.702 -29.630 5.935 1.00 0.00 C ATOM 0 H ILE A 63 2.895 -26.590 5.782 1.00 0.00 H new ATOM 0 HA ILE A 63 0.345 -27.008 6.792 1.00 0.00 H new ATOM 0 HB ILE A 63 1.474 -28.377 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.128 -30.755 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.741 -30.022 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.315 -29.980 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.767 -28.301 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.218 -29.389 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.308 -30.498 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.109 -28.744 6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.716 -29.489 4.854 1.00 0.00 H new ATOM 728 N ASP A 64 2.350 -27.706 9.100 1.00 0.00 N ATOM 729 CA ASP A 64 2.520 -27.981 10.549 1.00 0.00 C ATOM 730 C ASP A 64 1.553 -27.110 11.413 1.00 0.00 C ATOM 731 O ASP A 64 1.268 -27.350 12.569 1.00 0.00 O ATOM 732 CB ASP A 64 4.016 -27.688 10.734 1.00 0.00 C ATOM 733 CG ASP A 64 4.343 -26.298 10.193 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.087 -25.333 10.896 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.825 -26.260 9.074 1.00 0.00 O ATOM 0 H ASP A 64 3.215 -27.410 8.648 1.00 0.00 H new ATOM 0 HA ASP A 64 2.260 -28.988 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.280 -27.748 11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.610 -28.439 10.214 1.00 0.00 H new ATOM 740 N ARG A 65 1.076 -26.099 10.760 1.00 0.00 N ATOM 741 CA ARG A 65 0.263 -25.015 11.354 1.00 0.00 C ATOM 742 C ARG A 65 -1.043 -24.590 10.643 1.00 0.00 C ATOM 743 O ARG A 65 -1.125 -24.654 9.425 1.00 0.00 O ATOM 744 CB ARG A 65 1.278 -23.937 11.418 1.00 0.00 C ATOM 745 CG ARG A 65 0.652 -22.518 11.644 1.00 0.00 C ATOM 746 CD ARG A 65 1.675 -21.434 11.294 1.00 0.00 C ATOM 747 NE ARG A 65 2.204 -21.820 9.945 1.00 0.00 N ATOM 748 CZ ARG A 65 1.453 -21.849 8.915 1.00 0.00 C ATOM 749 NH1 ARG A 65 0.714 -22.850 8.686 1.00 0.00 N ATOM 750 NH2 ARG A 65 1.497 -20.855 8.134 1.00 0.00 N ATOM 0 H ARG A 65 1.232 -25.975 9.760 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.187 -25.326 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.978 -24.152 12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.852 -23.931 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.239 -22.402 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.337 -22.411 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.212 -20.448 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.474 -21.392 12.034 1.00 0.00 H new ATOM 0 HE ARG A 65 3.189 -22.066 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.716 -23.643 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.116 -22.864 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.117 -20.072 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.913 -20.837 7.298 1.00 0.00 H new ATOM 764 N VAL A 66 -2.002 -24.134 11.426 1.00 0.00 N ATOM 765 CA VAL A 66 -3.263 -23.576 10.821 1.00 0.00 C ATOM 766 C VAL A 66 -3.194 -22.045 11.003 1.00 0.00 C ATOM 767 O VAL A 66 -2.773 -21.524 12.022 1.00 0.00 O ATOM 768 CB VAL A 66 -4.508 -24.148 11.529 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.811 -23.983 10.747 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.413 -25.612 11.550 1.00 0.00 C ATOM 0 H VAL A 66 -1.967 -24.124 12.445 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.344 -23.846 9.768 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.528 -23.628 12.487 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.635 -24.413 11.317 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.001 -22.923 10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.727 -24.495 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.289 -26.026 12.049 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.365 -25.988 10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.514 -25.911 12.089 1.00 0.00 H new ATOM 780 N ARG A 67 -3.604 -21.333 9.999 1.00 0.00 N ATOM 781 CA ARG A 67 -3.510 -19.847 10.095 1.00 0.00 C ATOM 782 C ARG A 67 -4.883 -19.335 10.481 1.00 0.00 C ATOM 783 O ARG A 67 -5.840 -19.649 9.800 1.00 0.00 O ATOM 784 CB ARG A 67 -3.106 -19.281 8.738 1.00 0.00 C ATOM 785 CG ARG A 67 -2.583 -17.856 8.972 1.00 0.00 C ATOM 786 CD ARG A 67 -1.055 -17.953 9.082 1.00 0.00 C ATOM 787 NE ARG A 67 -0.536 -17.376 7.809 1.00 0.00 N ATOM 788 CZ ARG A 67 0.158 -17.998 6.928 1.00 0.00 C ATOM 789 NH1 ARG A 67 -0.088 -19.164 6.482 1.00 0.00 N ATOM 790 NH2 ARG A 67 1.131 -17.307 6.517 1.00 0.00 N ATOM 0 H ARG A 67 -3.993 -21.700 9.131 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.767 -19.544 10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.337 -19.901 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.957 -19.270 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.870 -17.200 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.009 -17.433 9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.686 -17.399 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.734 -18.987 9.206 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.753 -16.397 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.896 -19.682 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.522 -19.580 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.284 -16.370 6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.764 -17.686 5.813 1.00 0.00 H new ATOM 804 N LEU A 68 -4.918 -18.597 11.547 1.00 0.00 N ATOM 805 CA LEU A 68 -6.211 -18.044 11.997 1.00 0.00 C ATOM 806 C LEU A 68 -6.262 -16.526 11.771 1.00 0.00 C ATOM 807 O LEU A 68 -5.822 -15.809 12.648 1.00 0.00 O ATOM 808 CB LEU A 68 -6.386 -18.385 13.517 1.00 0.00 C ATOM 809 CG LEU A 68 -6.692 -19.883 13.846 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.834 -20.844 13.043 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.339 -20.119 15.303 1.00 0.00 C ATOM 0 H LEU A 68 -4.111 -18.355 12.122 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.024 -18.485 11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.476 -18.096 14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.194 -17.772 13.917 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.742 -20.062 13.613 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.088 -21.870 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.015 -20.692 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.782 -20.662 13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.542 -21.158 15.563 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.282 -19.906 15.460 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.939 -19.463 15.934 1.00 0.00 H new ATOM 823 N PHE A 69 -6.723 -16.043 10.643 1.00 0.00 N ATOM 824 CA PHE A 69 -6.932 -14.569 10.616 1.00 0.00 C ATOM 825 C PHE A 69 -8.148 -14.174 11.509 1.00 0.00 C ATOM 826 O PHE A 69 -9.324 -14.427 11.281 1.00 0.00 O ATOM 827 CB PHE A 69 -7.051 -14.190 9.061 1.00 0.00 C ATOM 828 CG PHE A 69 -5.615 -13.978 8.780 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.113 -12.868 9.391 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.813 -14.805 8.048 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.799 -12.572 9.281 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.515 -14.492 7.953 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.997 -13.405 8.540 1.00 0.00 C ATOM 0 H PHE A 69 -6.949 -16.564 9.796 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.113 -13.995 11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.486 -14.990 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.653 -13.298 8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.765 -12.225 9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.212 -15.683 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.388 -11.699 9.766 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.863 -15.138 7.384 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.946 -13.183 8.430 1.00 0.00 H new ATOM 843 N VAL A 70 -7.709 -13.521 12.562 1.00 0.00 N ATOM 844 CA VAL A 70 -8.624 -13.053 13.663 1.00 0.00 C ATOM 845 C VAL A 70 -8.862 -11.544 13.515 1.00 0.00 C ATOM 846 O VAL A 70 -8.194 -10.895 12.741 1.00 0.00 O ATOM 847 CB VAL A 70 -7.980 -13.334 15.072 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.459 -14.764 15.214 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.781 -12.414 15.357 1.00 0.00 C ATOM 0 H VAL A 70 -6.728 -13.286 12.710 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.567 -13.594 13.589 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.792 -13.153 15.776 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.027 -14.897 16.206 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.282 -15.466 15.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.696 -14.950 14.458 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.370 -12.645 16.340 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.015 -12.570 14.598 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.107 -11.374 15.336 1.00 0.00 H new ATOM 859 N ASP A 71 -9.761 -10.968 14.249 1.00 0.00 N ATOM 860 CA ASP A 71 -10.007 -9.518 14.026 1.00 0.00 C ATOM 861 C ASP A 71 -9.175 -8.646 14.961 1.00 0.00 C ATOM 862 O ASP A 71 -8.021 -8.879 15.270 1.00 0.00 O ATOM 863 CB ASP A 71 -11.521 -9.278 14.223 1.00 0.00 C ATOM 864 CG ASP A 71 -11.882 -9.294 15.691 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.538 -10.272 16.335 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.461 -8.278 16.037 1.00 0.00 O ATOM 0 H ASP A 71 -10.323 -11.417 14.973 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.703 -9.237 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.802 -8.320 13.786 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.087 -10.047 13.697 1.00 0.00 H new ATOM 871 N LYS A 72 -9.868 -7.634 15.375 1.00 0.00 N ATOM 872 CA LYS A 72 -9.306 -6.626 16.318 1.00 0.00 C ATOM 873 C LYS A 72 -9.612 -6.998 17.776 1.00 0.00 C ATOM 874 O LYS A 72 -9.346 -6.259 18.703 1.00 0.00 O ATOM 875 CB LYS A 72 -9.897 -5.255 15.909 1.00 0.00 C ATOM 876 CG LYS A 72 -8.841 -4.100 15.900 1.00 0.00 C ATOM 877 CD LYS A 72 -8.443 -3.525 17.295 1.00 0.00 C ATOM 878 CE LYS A 72 -9.632 -2.819 17.988 1.00 0.00 C ATOM 879 NZ LYS A 72 -10.222 -3.749 19.003 1.00 0.00 N ATOM 0 H LYS A 72 -10.831 -7.453 15.093 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.218 -6.589 16.258 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.340 -5.340 14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.702 -4.995 16.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.939 -4.464 15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.230 -3.284 15.290 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.080 -4.333 17.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.621 -2.819 17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.297 -1.900 18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.385 -2.538 17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.231 -3.531 19.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.118 -4.731 18.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.727 -3.632 19.910 1.00 0.00 H new ATOM 893 N LEU A 73 -10.160 -8.161 17.885 1.00 0.00 N ATOM 894 CA LEU A 73 -10.576 -8.813 19.165 1.00 0.00 C ATOM 895 C LEU A 73 -10.162 -10.314 19.159 1.00 0.00 C ATOM 896 O LEU A 73 -10.846 -11.136 19.732 1.00 0.00 O ATOM 897 CB LEU A 73 -12.086 -8.658 19.229 1.00 0.00 C ATOM 898 CG LEU A 73 -12.539 -7.192 19.148 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.077 -7.161 19.069 1.00 0.00 C ATOM 900 CD2 LEU A 73 -12.108 -6.426 20.411 1.00 0.00 C ATOM 0 H LEU A 73 -10.356 -8.742 17.070 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.098 -8.360 20.034 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.539 -9.219 18.412 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.452 -9.096 20.158 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.088 -6.727 18.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.418 -6.127 19.011 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.407 -7.702 18.182 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.497 -7.632 19.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.437 -5.389 20.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.559 -6.888 21.289 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.022 -6.457 20.503 1.00 0.00 H new ATOM 912 N ASP A 74 -9.066 -10.590 18.499 1.00 0.00 N ATOM 913 CA ASP A 74 -8.465 -11.949 18.336 1.00 0.00 C ATOM 914 C ASP A 74 -9.510 -13.091 18.221 1.00 0.00 C ATOM 915 O ASP A 74 -9.295 -14.223 18.613 1.00 0.00 O ATOM 916 CB ASP A 74 -7.416 -12.098 19.561 1.00 0.00 C ATOM 917 CG ASP A 74 -7.630 -13.306 20.494 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.378 -13.114 21.432 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.038 -14.346 20.223 1.00 0.00 O ATOM 0 H ASP A 74 -8.523 -9.865 18.030 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.949 -12.047 17.381 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.410 -12.159 19.146 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.458 -11.189 20.161 1.00 0.00 H new ATOM 924 N ASN A 75 -10.625 -12.732 17.639 1.00 0.00 N ATOM 925 CA ASN A 75 -11.753 -13.663 17.386 1.00 0.00 C ATOM 926 C ASN A 75 -11.752 -13.889 15.873 1.00 0.00 C ATOM 927 O ASN A 75 -11.565 -12.979 15.091 1.00 0.00 O ATOM 928 CB ASN A 75 -13.058 -12.987 17.899 1.00 0.00 C ATOM 929 CG ASN A 75 -13.189 -13.177 19.393 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.146 -14.271 19.911 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.363 -12.143 20.138 1.00 0.00 N ATOM 0 H ASN A 75 -10.801 -11.781 17.315 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.671 -14.621 17.899 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.044 -11.924 17.660 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.922 -13.417 17.393 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.462 -12.252 21.147 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.402 -11.214 19.720 1.00 0.00 H new ATOM 938 N ILE A 76 -11.953 -15.113 15.505 1.00 0.00 N ATOM 939 CA ILE A 76 -11.950 -15.519 14.092 1.00 0.00 C ATOM 940 C ILE A 76 -13.024 -14.839 13.288 1.00 0.00 C ATOM 941 O ILE A 76 -14.223 -15.035 13.371 1.00 0.00 O ATOM 942 CB ILE A 76 -12.033 -17.023 14.102 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.765 -17.281 14.978 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.887 -17.472 12.613 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.263 -18.621 14.875 1.00 0.00 C ATOM 0 H ILE A 76 -12.126 -15.878 16.158 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.041 -15.201 13.581 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.924 -17.530 14.473 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.981 -16.584 14.683 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.004 -17.070 16.020 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.939 -18.559 12.554 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.693 -17.037 12.021 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.927 -17.133 12.223 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.383 -18.730 15.509 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.031 -19.323 15.198 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.993 -18.830 13.840 1.00 0.00 H new ATOM 957 N ALA A 77 -12.360 -14.060 12.507 1.00 0.00 N ATOM 958 CA ALA A 77 -12.862 -13.064 11.586 1.00 0.00 C ATOM 959 C ALA A 77 -13.088 -13.729 10.217 1.00 0.00 C ATOM 960 O ALA A 77 -14.109 -13.591 9.573 1.00 0.00 O ATOM 961 CB ALA A 77 -11.708 -12.096 11.844 1.00 0.00 C ATOM 0 H ALA A 77 -11.341 -14.099 12.486 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.830 -12.570 11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.842 -11.200 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.692 -11.822 12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.765 -12.575 11.579 1.00 0.00 H new ATOM 967 N GLN A 78 -12.074 -14.450 9.866 1.00 0.00 N ATOM 968 CA GLN A 78 -11.999 -15.172 8.564 1.00 0.00 C ATOM 969 C GLN A 78 -11.925 -16.677 8.866 1.00 0.00 C ATOM 970 O GLN A 78 -11.506 -17.027 9.951 1.00 0.00 O ATOM 971 CB GLN A 78 -10.759 -14.591 7.915 1.00 0.00 C ATOM 972 CG GLN A 78 -10.350 -15.340 6.639 1.00 0.00 C ATOM 973 CD GLN A 78 -8.984 -14.833 6.196 1.00 0.00 C ATOM 974 OE1 GLN A 78 -8.034 -15.566 6.079 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.768 -13.589 5.926 1.00 0.00 N ATOM 0 H GLN A 78 -11.250 -14.578 10.454 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.851 -15.056 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.937 -13.543 7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.934 -14.619 8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.313 -16.413 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.087 -15.178 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.526 -12.911 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.839 -13.284 5.635 1.00 0.00 H new ATOM 984 N VAL A 79 -12.292 -17.556 7.964 1.00 0.00 N ATOM 985 CA VAL A 79 -12.162 -18.988 8.382 1.00 0.00 C ATOM 986 C VAL A 79 -10.680 -19.381 8.340 1.00 0.00 C ATOM 987 O VAL A 79 -9.962 -18.979 7.443 1.00 0.00 O ATOM 988 CB VAL A 79 -12.943 -19.956 7.442 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.660 -21.427 7.894 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.401 -19.800 7.768 1.00 0.00 C ATOM 0 H VAL A 79 -12.649 -17.369 7.027 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.579 -19.075 9.385 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.673 -19.755 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.200 -22.117 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.591 -21.628 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.992 -21.562 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.989 -20.461 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.570 -20.058 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.704 -18.767 7.596 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.242 -20.160 9.298 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.837 -20.620 9.371 1.00 0.00 C ATOM 1002 C PRO A 80 -8.668 -21.864 8.485 1.00 0.00 C ATOM 1003 O PRO A 80 -9.605 -22.581 8.179 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.614 -20.891 10.852 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.893 -20.353 11.499 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.979 -20.698 10.464 1.00 0.00 C ATOM 0 HA PRO A 80 -8.103 -19.903 9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.478 -21.954 11.051 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.727 -20.380 11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.088 -20.827 12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.833 -19.280 11.678 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.189 -21.765 10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.930 -20.198 10.647 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.443 -22.097 8.121 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.130 -23.207 7.164 1.00 0.00 C ATOM 1016 C ARG A 81 -5.686 -23.618 7.335 1.00 0.00 C ATOM 1017 O ARG A 81 -4.923 -22.785 7.800 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.402 -22.760 5.655 1.00 0.00 C ATOM 1019 CG ARG A 81 -8.008 -21.334 5.476 1.00 0.00 C ATOM 1020 CD ARG A 81 -7.074 -20.136 5.849 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.721 -20.713 6.126 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.595 -20.436 5.577 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -4.492 -19.529 4.677 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.616 -21.134 6.011 1.00 0.00 N ATOM 0 H ARG A 81 -6.634 -21.567 8.443 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.782 -24.053 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.462 -22.808 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.077 -23.483 5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.314 -21.219 4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.911 -21.267 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.027 -19.414 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.455 -19.606 6.722 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.690 -21.427 6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.317 -19.008 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.585 -19.328 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.772 -21.838 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.679 -20.987 5.635 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.306 -24.811 6.974 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.878 -25.187 7.186 1.00 0.00 C ATOM 1040 C VAL A 82 -2.941 -24.521 6.161 1.00 0.00 C ATOM 1041 O VAL A 82 -3.287 -24.326 5.011 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.732 -26.716 7.091 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.301 -27.006 7.493 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.634 -27.453 8.066 1.00 0.00 C ATOM 0 H VAL A 82 -5.901 -25.525 6.553 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.589 -24.835 8.176 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.998 -27.045 6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.121 -28.080 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.621 -26.496 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.129 -26.650 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.489 -28.528 7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.387 -27.157 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.675 -27.204 7.858 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.768 -24.184 6.625 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.726 -23.529 5.752 1.00 0.00 C ATOM 1056 C GLY A 83 -0.416 -22.077 6.147 1.00 0.00 C ATOM 1057 O GLY A 83 -1.118 -21.536 6.985 1.00 0.00 O ATOM 1058 OXT GLY A 83 0.533 -21.548 5.602 1.00 0.00 O ATOM 0 H GLY A 83 -1.474 -24.334 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.193 -24.113 5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.066 -23.550 4.717 1.00 0.00 H new