USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot -169:sc= 0.526 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.411 K(o=0.94,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.96 (180deg=1.73) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.22) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 ASN : amide:sc= 0.845 K(o=0.84,f=-0.063) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0112 (180deg=-0.203) USER MOD Single : A 68 ASN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.43 K(o=1.4,f=-6.5!) USER MOD Single : A 78 CYS SG : rot 86:sc= 0.336 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 80 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.18) USER MOD Single : A 83 GLN : amide:sc= -0.0934 K(o=-0.093,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00262 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.045 -9.107 -13.070 1.00 0.00 N ATOM 90 CA TRP A 43 14.174 -9.096 -13.988 1.00 0.00 C ATOM 91 C TRP A 43 13.685 -9.307 -15.419 1.00 0.00 C ATOM 92 O TRP A 43 12.544 -9.719 -15.638 1.00 0.00 O ATOM 93 CB TRP A 43 15.161 -10.196 -13.585 1.00 0.00 C ATOM 94 CG TRP A 43 16.101 -9.807 -12.488 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.824 -9.821 -11.174 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.477 -9.335 -12.589 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.906 -9.399 -10.439 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.967 -9.081 -11.268 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.369 -9.093 -13.659 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.262 -8.614 -11.026 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.676 -8.618 -13.420 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.120 -8.378 -12.107 1.00 0.00 C ATOM 0 HA TRP A 43 14.679 -8.131 -13.940 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.599 -11.075 -13.271 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.742 -10.485 -14.461 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.877 -10.123 -10.751 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.924 -9.330 -9.422 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.045 -9.274 -14.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.598 -8.437 -10.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.341 -8.437 -14.252 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.121 -8.012 -11.933 1.00 0.00 H new ATOM 113 N THR A 44 14.561 -9.022 -16.388 1.00 0.00 N ATOM 114 CA THR A 44 14.256 -9.185 -17.802 1.00 0.00 C ATOM 115 C THR A 44 15.468 -9.796 -18.495 1.00 0.00 C ATOM 116 O THR A 44 16.595 -9.610 -18.042 1.00 0.00 O ATOM 117 CB THR A 44 13.911 -7.824 -18.423 1.00 0.00 C ATOM 118 OG1 THR A 44 14.957 -6.909 -18.176 1.00 0.00 O ATOM 119 CG2 THR A 44 12.611 -7.285 -17.822 1.00 0.00 C ATOM 0 H THR A 44 15.502 -8.671 -16.207 1.00 0.00 H new ATOM 0 HA THR A 44 13.396 -9.844 -17.926 1.00 0.00 H new ATOM 0 HB THR A 44 13.782 -7.950 -19.498 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.734 -6.042 -18.575 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.376 -6.319 -18.270 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.800 -7.985 -18.022 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.730 -7.166 -16.745 1.00 0.00 H new ATOM 127 N ARG A 45 15.233 -10.523 -19.595 1.00 0.00 N ATOM 128 CA ARG A 45 16.307 -11.162 -20.346 1.00 0.00 C ATOM 129 C ARG A 45 17.393 -10.141 -20.693 1.00 0.00 C ATOM 130 O ARG A 45 18.577 -10.468 -20.682 1.00 0.00 O ATOM 131 CB ARG A 45 15.726 -11.801 -21.616 1.00 0.00 C ATOM 132 CG ARG A 45 16.841 -12.499 -22.411 1.00 0.00 C ATOM 133 CD ARG A 45 17.360 -11.573 -23.523 1.00 0.00 C ATOM 134 NE ARG A 45 18.795 -11.786 -23.764 1.00 0.00 N ATOM 135 CZ ARG A 45 19.286 -12.856 -24.417 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.461 -13.817 -24.857 1.00 0.00 N ATOM 137 NH2 ARG A 45 20.604 -12.960 -24.626 1.00 0.00 N ATOM 0 H ARG A 45 14.302 -10.680 -19.981 1.00 0.00 H new ATOM 0 HA ARG A 45 16.765 -11.941 -19.737 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.953 -12.521 -21.349 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.252 -11.038 -22.233 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.658 -12.771 -21.743 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.463 -13.425 -22.845 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.803 -11.756 -24.442 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.185 -10.533 -23.246 1.00 0.00 H new ATOM 0 HE ARG A 45 19.452 -11.087 -23.418 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.457 -13.739 -24.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.838 -14.626 -25.351 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.233 -12.230 -24.291 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.980 -13.769 -25.120 1.00 0.00 H new ATOM 151 N GLU A 46 16.986 -8.904 -21.004 1.00 0.00 N ATOM 152 CA GLU A 46 17.922 -7.851 -21.357 1.00 0.00 C ATOM 153 C GLU A 46 18.874 -7.582 -20.190 1.00 0.00 C ATOM 154 O GLU A 46 20.093 -7.588 -20.370 1.00 0.00 O ATOM 155 CB GLU A 46 17.139 -6.585 -21.734 1.00 0.00 C ATOM 156 CG GLU A 46 18.085 -5.546 -22.358 1.00 0.00 C ATOM 157 CD GLU A 46 18.274 -4.341 -21.441 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.596 -4.570 -20.255 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.098 -3.213 -21.943 1.00 0.00 O ATOM 0 H GLU A 46 16.008 -8.616 -21.016 1.00 0.00 H new ATOM 0 HA GLU A 46 18.521 -8.161 -22.213 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.345 -6.835 -22.438 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.660 -6.167 -20.849 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.052 -6.007 -22.559 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.684 -5.216 -23.316 1.00 0.00 H new ATOM 166 N GLU A 47 18.321 -7.344 -18.993 1.00 0.00 N ATOM 167 CA GLU A 47 19.134 -7.047 -17.823 1.00 0.00 C ATOM 168 C GLU A 47 19.979 -8.269 -17.455 1.00 0.00 C ATOM 169 O GLU A 47 21.130 -8.124 -17.050 1.00 0.00 O ATOM 170 CB GLU A 47 18.236 -6.625 -16.649 1.00 0.00 C ATOM 171 CG GLU A 47 18.574 -5.191 -16.216 1.00 0.00 C ATOM 172 CD GLU A 47 20.042 -5.056 -15.822 1.00 0.00 C ATOM 173 OE1 GLU A 47 20.373 -5.503 -14.704 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.804 -4.504 -16.652 1.00 0.00 O ATOM 0 H GLU A 47 17.316 -7.353 -18.817 1.00 0.00 H new ATOM 0 HA GLU A 47 19.806 -6.219 -18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.188 -6.687 -16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.374 -7.308 -15.811 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.350 -4.502 -17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.943 -4.906 -15.374 1.00 0.00 H new ATOM 181 N ASP A 48 19.411 -9.476 -17.604 1.00 0.00 N ATOM 182 CA ASP A 48 20.138 -10.706 -17.317 1.00 0.00 C ATOM 183 C ASP A 48 21.359 -10.793 -18.232 1.00 0.00 C ATOM 184 O ASP A 48 22.430 -11.207 -17.794 1.00 0.00 O ATOM 185 CB ASP A 48 19.219 -11.917 -17.513 1.00 0.00 C ATOM 186 CG ASP A 48 18.201 -12.029 -16.382 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.636 -11.986 -15.210 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.000 -12.164 -16.703 1.00 0.00 O ATOM 0 H ASP A 48 18.452 -9.618 -17.921 1.00 0.00 H new ATOM 0 HA ASP A 48 20.474 -10.703 -16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.698 -11.830 -18.467 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.817 -12.827 -17.558 1.00 0.00 H new ATOM 193 N GLU A 49 21.201 -10.389 -19.502 1.00 0.00 N ATOM 194 CA GLU A 49 22.308 -10.369 -20.449 1.00 0.00 C ATOM 195 C GLU A 49 23.376 -9.410 -19.921 1.00 0.00 C ATOM 196 O GLU A 49 24.566 -9.723 -19.936 1.00 0.00 O ATOM 197 CB GLU A 49 21.795 -9.925 -21.829 1.00 0.00 C ATOM 198 CG GLU A 49 22.595 -10.612 -22.945 1.00 0.00 C ATOM 199 CD GLU A 49 24.050 -10.151 -22.964 1.00 0.00 C ATOM 200 OE1 GLU A 49 24.260 -8.921 -22.898 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.925 -11.040 -23.049 1.00 0.00 O ATOM 0 H GLU A 49 20.312 -10.073 -19.890 1.00 0.00 H new ATOM 0 HA GLU A 49 22.743 -11.363 -20.557 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.738 -10.171 -21.927 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.881 -8.843 -21.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.558 -11.693 -22.807 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.133 -10.398 -23.909 1.00 0.00 H new ATOM 208 N LYS A 50 22.933 -8.243 -19.437 1.00 0.00 N ATOM 209 CA LYS A 50 23.824 -7.251 -18.856 1.00 0.00 C ATOM 210 C LYS A 50 24.642 -7.899 -17.740 1.00 0.00 C ATOM 211 O LYS A 50 25.866 -7.792 -17.721 1.00 0.00 O ATOM 212 CB LYS A 50 22.986 -6.090 -18.293 1.00 0.00 C ATOM 213 CG LYS A 50 23.590 -4.737 -18.700 1.00 0.00 C ATOM 214 CD LYS A 50 23.246 -4.393 -20.162 1.00 0.00 C ATOM 215 CE LYS A 50 21.724 -4.405 -20.402 1.00 0.00 C ATOM 216 NZ LYS A 50 20.977 -3.780 -19.290 1.00 0.00 N ATOM 0 H LYS A 50 21.951 -7.968 -19.440 1.00 0.00 H new ATOM 0 HA LYS A 50 24.503 -6.867 -19.617 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.962 -6.162 -18.660 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.940 -6.161 -17.206 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.214 -3.954 -18.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.672 -4.766 -18.575 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.647 -3.410 -20.409 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.726 -5.110 -20.828 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.500 -3.877 -21.329 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.387 -5.433 -20.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.975 -3.688 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.059 -4.374 -18.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.371 -2.838 -19.093 1.00 0.00 H new ATOM 230 N LEU A 51 23.951 -8.570 -16.809 1.00 0.00 N ATOM 231 CA LEU A 51 24.592 -9.218 -15.679 1.00 0.00 C ATOM 232 C LEU A 51 25.597 -10.262 -16.167 1.00 0.00 C ATOM 233 O LEU A 51 26.718 -10.307 -15.674 1.00 0.00 O ATOM 234 CB LEU A 51 23.514 -9.853 -14.786 1.00 0.00 C ATOM 235 CG LEU A 51 24.130 -10.381 -13.479 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.762 -9.231 -12.688 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.032 -11.027 -12.630 1.00 0.00 C ATOM 0 H LEU A 51 22.936 -8.673 -16.826 1.00 0.00 H new ATOM 0 HA LEU A 51 25.142 -8.482 -15.093 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.743 -9.116 -14.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.027 -10.669 -15.320 1.00 0.00 H new ATOM 0 HG LEU A 51 24.900 -11.114 -13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.194 -9.618 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.544 -8.764 -13.287 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.998 -8.491 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.463 -11.403 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.266 -10.286 -12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.583 -11.853 -13.182 1.00 0.00 H new ATOM 249 N LYS A 52 25.198 -11.095 -17.140 1.00 0.00 N ATOM 250 CA LYS A 52 26.078 -12.119 -17.695 1.00 0.00 C ATOM 251 C LYS A 52 27.389 -11.481 -18.158 1.00 0.00 C ATOM 252 O LYS A 52 28.468 -11.959 -17.817 1.00 0.00 O ATOM 253 CB LYS A 52 25.389 -12.807 -18.885 1.00 0.00 C ATOM 254 CG LYS A 52 24.248 -13.710 -18.403 1.00 0.00 C ATOM 255 CD LYS A 52 24.685 -15.177 -18.484 1.00 0.00 C ATOM 256 CE LYS A 52 23.526 -16.086 -18.067 1.00 0.00 C ATOM 257 NZ LYS A 52 23.949 -17.498 -18.022 1.00 0.00 N ATOM 0 H LYS A 52 24.267 -11.074 -17.556 1.00 0.00 H new ATOM 0 HA LYS A 52 26.292 -12.861 -16.925 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.999 -12.055 -19.570 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.117 -13.398 -19.441 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.978 -13.456 -17.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.360 -13.550 -19.015 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.000 -15.417 -19.499 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.544 -15.347 -17.835 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.156 -15.783 -17.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.700 -15.973 -18.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.145 -18.092 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.280 -17.791 -18.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.721 -17.607 -17.334 1.00 0.00 H new ATOM 271 N LYS A 53 27.284 -10.405 -18.946 1.00 0.00 N ATOM 272 CA LYS A 53 28.448 -9.728 -19.499 1.00 0.00 C ATOM 273 C LYS A 53 29.307 -9.124 -18.388 1.00 0.00 C ATOM 274 O LYS A 53 30.513 -9.346 -18.354 1.00 0.00 O ATOM 275 CB LYS A 53 27.978 -8.637 -20.478 1.00 0.00 C ATOM 276 CG LYS A 53 28.840 -8.653 -21.749 1.00 0.00 C ATOM 277 CD LYS A 53 28.155 -9.487 -22.844 1.00 0.00 C ATOM 278 CE LYS A 53 28.096 -10.963 -22.432 1.00 0.00 C ATOM 279 NZ LYS A 53 27.475 -11.780 -23.486 1.00 0.00 N ATOM 0 H LYS A 53 26.393 -9.986 -19.213 1.00 0.00 H new ATOM 0 HA LYS A 53 29.064 -10.452 -20.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.932 -8.799 -20.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.040 -7.659 -20.001 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.998 -7.634 -22.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.822 -9.069 -21.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.147 -9.111 -23.020 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.701 -9.386 -23.782 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.103 -11.328 -22.230 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.528 -11.064 -21.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.671 -12.786 -23.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.447 -11.622 -23.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.868 -11.511 -24.411 1.00 0.00 H new ATOM 293 N LEU A 54 28.692 -8.356 -17.486 1.00 0.00 N ATOM 294 CA LEU A 54 29.422 -7.703 -16.408 1.00 0.00 C ATOM 295 C LEU A 54 30.132 -8.738 -15.531 1.00 0.00 C ATOM 296 O LEU A 54 31.264 -8.511 -15.112 1.00 0.00 O ATOM 297 CB LEU A 54 28.456 -6.851 -15.579 1.00 0.00 C ATOM 298 CG LEU A 54 27.973 -5.644 -16.401 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.906 -4.890 -15.608 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.146 -4.703 -16.700 1.00 0.00 C ATOM 0 H LEU A 54 27.688 -8.174 -17.485 1.00 0.00 H new ATOM 0 HA LEU A 54 30.186 -7.054 -16.835 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.603 -7.454 -15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.951 -6.507 -14.671 1.00 0.00 H new ATOM 0 HG LEU A 54 27.555 -5.998 -17.343 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.560 -4.033 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.066 -5.554 -15.406 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.330 -4.544 -14.665 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.791 -3.853 -17.282 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.575 -4.347 -15.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.907 -5.239 -17.267 1.00 0.00 H new ATOM 312 N VAL A 55 29.475 -9.871 -15.259 1.00 0.00 N ATOM 313 CA VAL A 55 30.068 -10.932 -14.454 1.00 0.00 C ATOM 314 C VAL A 55 31.234 -11.560 -15.220 1.00 0.00 C ATOM 315 O VAL A 55 32.296 -11.791 -14.650 1.00 0.00 O ATOM 316 CB VAL A 55 28.993 -11.980 -14.117 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.652 -13.262 -13.599 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.060 -11.427 -13.037 1.00 0.00 C ATOM 0 H VAL A 55 28.531 -10.072 -15.588 1.00 0.00 H new ATOM 0 HA VAL A 55 30.453 -10.524 -13.519 1.00 0.00 H new ATOM 0 HB VAL A 55 28.425 -12.205 -15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.882 -13.997 -13.363 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.316 -13.664 -14.364 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.227 -13.038 -12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.299 -12.170 -12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.636 -11.198 -12.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.579 -10.519 -13.401 1.00 0.00 H new ATOM 328 N GLU A 56 31.030 -11.831 -16.513 1.00 0.00 N ATOM 329 CA GLU A 56 32.058 -12.421 -17.359 1.00 0.00 C ATOM 330 C GLU A 56 33.297 -11.518 -17.388 1.00 0.00 C ATOM 331 O GLU A 56 34.424 -12.005 -17.318 1.00 0.00 O ATOM 332 CB GLU A 56 31.480 -12.609 -18.769 1.00 0.00 C ATOM 333 CG GLU A 56 32.503 -13.292 -19.682 1.00 0.00 C ATOM 334 CD GLU A 56 31.901 -13.565 -21.057 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.319 -12.612 -21.624 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.033 -14.719 -21.516 1.00 0.00 O ATOM 0 H GLU A 56 30.150 -11.647 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 56 32.363 -13.390 -16.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.571 -13.209 -18.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.201 -11.641 -19.186 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.385 -12.660 -19.785 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.832 -14.228 -19.231 1.00 0.00 H new ATOM 343 N GLN A 57 33.078 -10.203 -17.493 1.00 0.00 N ATOM 344 CA GLN A 57 34.161 -9.233 -17.556 1.00 0.00 C ATOM 345 C GLN A 57 34.860 -9.113 -16.199 1.00 0.00 C ATOM 346 O GLN A 57 36.074 -9.283 -16.113 1.00 0.00 O ATOM 347 CB GLN A 57 33.592 -7.875 -17.984 1.00 0.00 C ATOM 348 CG GLN A 57 33.183 -7.920 -19.460 1.00 0.00 C ATOM 349 CD GLN A 57 32.329 -6.709 -19.824 1.00 0.00 C ATOM 350 OE1 GLN A 57 31.157 -6.850 -20.164 1.00 0.00 O ATOM 351 NE2 GLN A 57 32.919 -5.515 -19.752 1.00 0.00 N ATOM 0 H GLN A 57 32.147 -9.789 -17.536 1.00 0.00 H new ATOM 0 HA GLN A 57 34.899 -9.566 -18.285 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.730 -7.622 -17.367 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.336 -7.094 -17.828 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.074 -7.944 -20.088 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.627 -8.836 -19.660 1.00 0.00 H new ATOM 0 HE21 GLN A 57 33.895 -5.445 -19.465 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.394 -4.672 -19.984 1.00 0.00 H new ATOM 360 N ASN A 58 34.093 -8.805 -15.145 1.00 0.00 N ATOM 361 CA ASN A 58 34.645 -8.614 -13.809 1.00 0.00 C ATOM 362 C ASN A 58 34.789 -9.960 -13.096 1.00 0.00 C ATOM 363 O ASN A 58 35.878 -10.530 -13.063 1.00 0.00 O ATOM 364 CB ASN A 58 33.739 -7.663 -13.012 1.00 0.00 C ATOM 365 CG ASN A 58 33.685 -6.281 -13.659 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.498 -5.415 -13.348 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.723 -6.077 -14.560 1.00 0.00 N ATOM 0 H ASN A 58 33.082 -8.683 -15.199 1.00 0.00 H new ATOM 0 HA ASN A 58 35.637 -8.169 -13.887 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.733 -8.079 -12.952 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.109 -7.575 -11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.641 -5.171 -15.022 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.069 -6.827 -14.787 1.00 0.00 H new ATOM 374 N GLY A 59 33.690 -10.461 -12.521 1.00 0.00 N ATOM 375 CA GLY A 59 33.695 -11.721 -11.798 1.00 0.00 C ATOM 376 C GLY A 59 32.537 -11.748 -10.806 1.00 0.00 C ATOM 377 O GLY A 59 31.848 -10.746 -10.629 1.00 0.00 O ATOM 0 H GLY A 59 32.780 -10.001 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.607 -12.553 -12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.641 -11.845 -11.271 1.00 0.00 H new ATOM 381 N THR A 60 32.326 -12.897 -10.156 1.00 0.00 N ATOM 382 CA THR A 60 31.253 -13.052 -9.181 1.00 0.00 C ATOM 383 C THR A 60 31.734 -12.645 -7.781 1.00 0.00 C ATOM 384 O THR A 60 31.078 -12.960 -6.791 1.00 0.00 O ATOM 385 CB THR A 60 30.787 -14.514 -9.183 1.00 0.00 C ATOM 386 OG1 THR A 60 31.898 -15.366 -8.998 1.00 0.00 O ATOM 387 CG2 THR A 60 30.116 -14.845 -10.517 1.00 0.00 C ATOM 0 H THR A 60 32.891 -13.736 -10.292 1.00 0.00 H new ATOM 0 HA THR A 60 30.420 -12.403 -9.451 1.00 0.00 H new ATOM 0 HB THR A 60 30.073 -14.660 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.598 -16.299 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.788 -15.884 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.255 -14.193 -10.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.827 -14.694 -11.329 1.00 0.00 H new ATOM 395 N ASP A 61 32.881 -11.951 -7.702 1.00 0.00 N ATOM 396 CA ASP A 61 33.445 -11.528 -6.429 1.00 0.00 C ATOM 397 C ASP A 61 32.914 -10.141 -6.052 1.00 0.00 C ATOM 398 O ASP A 61 32.047 -10.025 -5.186 1.00 0.00 O ATOM 399 CB ASP A 61 34.975 -11.531 -6.533 1.00 0.00 C ATOM 400 CG ASP A 61 35.611 -11.110 -5.214 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.462 -11.880 -4.242 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.233 -10.028 -5.204 1.00 0.00 O ATOM 0 H ASP A 61 33.432 -11.674 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 61 33.147 -12.220 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.323 -12.527 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.291 -10.853 -7.326 1.00 0.00 H new ATOM 407 N ASP A 62 33.437 -9.090 -6.702 1.00 0.00 N ATOM 408 CA ASP A 62 33.023 -7.722 -6.420 1.00 0.00 C ATOM 409 C ASP A 62 31.646 -7.447 -7.023 1.00 0.00 C ATOM 410 O ASP A 62 31.530 -7.046 -8.182 1.00 0.00 O ATOM 411 CB ASP A 62 34.074 -6.733 -6.958 1.00 0.00 C ATOM 412 CG ASP A 62 34.617 -5.853 -5.838 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.787 -5.139 -5.229 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.844 -5.905 -5.614 1.00 0.00 O ATOM 0 H ASP A 62 34.149 -9.170 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 62 32.948 -7.587 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.892 -7.283 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.629 -6.109 -7.733 1.00 0.00 H new ATOM 419 N TRP A 63 30.598 -7.653 -6.222 1.00 0.00 N ATOM 420 CA TRP A 63 29.237 -7.389 -6.653 1.00 0.00 C ATOM 421 C TRP A 63 28.968 -5.886 -6.619 1.00 0.00 C ATOM 422 O TRP A 63 28.086 -5.402 -7.320 1.00 0.00 O ATOM 423 CB TRP A 63 28.263 -8.145 -5.754 1.00 0.00 C ATOM 424 CG TRP A 63 28.257 -9.622 -5.977 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.626 -10.554 -5.083 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.876 -10.364 -7.175 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.510 -11.816 -5.611 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.046 -11.761 -6.914 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.403 -10.007 -8.463 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.766 -12.741 -7.868 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.118 -10.996 -9.427 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.302 -12.357 -9.131 1.00 0.00 C ATOM 0 H TRP A 63 30.674 -8.004 -5.267 1.00 0.00 H new ATOM 0 HA TRP A 63 29.098 -7.735 -7.677 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.515 -7.946 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.257 -7.758 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.969 -10.339 -4.082 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.735 -12.676 -5.111 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.259 -8.965 -8.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.906 -13.786 -7.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.755 -10.705 -10.402 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.085 -13.106 -9.878 1.00 0.00 H new ATOM 443 N LYS A 64 29.739 -5.145 -5.809 1.00 0.00 N ATOM 444 CA LYS A 64 29.602 -3.701 -5.721 1.00 0.00 C ATOM 445 C LYS A 64 29.909 -3.081 -7.083 1.00 0.00 C ATOM 446 O LYS A 64 29.176 -2.213 -7.550 1.00 0.00 O ATOM 447 CB LYS A 64 30.558 -3.165 -4.649 1.00 0.00 C ATOM 448 CG LYS A 64 30.441 -1.639 -4.563 1.00 0.00 C ATOM 449 CD LYS A 64 31.369 -1.113 -3.463 1.00 0.00 C ATOM 450 CE LYS A 64 31.263 0.414 -3.372 1.00 0.00 C ATOM 451 NZ LYS A 64 31.785 1.064 -4.590 1.00 0.00 N ATOM 0 H LYS A 64 30.465 -5.534 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 64 28.582 -3.437 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.323 -3.612 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.583 -3.447 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.704 -1.190 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.411 -1.355 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.103 -1.562 -2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.398 -1.402 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.222 0.700 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 64 31.818 0.768 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 31.921 2.079 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.695 0.633 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.107 0.938 -5.368 1.00 0.00 H new ATOM 465 N VAL A 65 30.998 -3.533 -7.716 1.00 0.00 N ATOM 466 CA VAL A 65 31.404 -3.033 -9.021 1.00 0.00 C ATOM 467 C VAL A 65 30.257 -3.204 -10.017 1.00 0.00 C ATOM 468 O VAL A 65 29.899 -2.264 -10.726 1.00 0.00 O ATOM 469 CB VAL A 65 32.652 -3.800 -9.484 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.009 -3.403 -10.917 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.830 -3.475 -8.563 1.00 0.00 C ATOM 0 H VAL A 65 31.614 -4.251 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 65 31.645 -1.972 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 65 32.442 -4.869 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.895 -3.952 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.176 -3.641 -11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.211 -2.333 -10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.713 -4.021 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.032 -2.404 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.585 -3.768 -7.542 1.00 0.00 H new ATOM 481 N ILE A 66 29.684 -4.408 -10.063 1.00 0.00 N ATOM 482 CA ILE A 66 28.586 -4.714 -10.965 1.00 0.00 C ATOM 483 C ILE A 66 27.376 -3.837 -10.630 1.00 0.00 C ATOM 484 O ILE A 66 26.751 -3.275 -11.526 1.00 0.00 O ATOM 485 CB ILE A 66 28.246 -6.209 -10.846 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.423 -7.038 -11.387 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.979 -6.518 -11.653 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.343 -8.476 -10.878 1.00 0.00 C ATOM 0 H ILE A 66 29.971 -5.192 -9.476 1.00 0.00 H new ATOM 0 HA ILE A 66 28.873 -4.502 -11.995 1.00 0.00 H new ATOM 0 HB ILE A 66 28.071 -6.463 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.410 -7.031 -12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.366 -6.588 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.742 -7.578 -11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.148 -5.927 -11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.145 -6.268 -12.701 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.184 -9.048 -11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.379 -8.479 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.409 -8.928 -11.211 1.00 0.00 H new ATOM 500 N ALA A 67 27.051 -3.724 -9.338 1.00 0.00 N ATOM 501 CA ALA A 67 25.917 -2.931 -8.884 1.00 0.00 C ATOM 502 C ALA A 67 26.056 -1.481 -9.342 1.00 0.00 C ATOM 503 O ALA A 67 25.083 -0.876 -9.781 1.00 0.00 O ATOM 504 CB ALA A 67 25.832 -3.003 -7.361 1.00 0.00 C ATOM 0 H ALA A 67 27.567 -4.179 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 67 25.002 -3.334 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.985 -2.411 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.700 -4.040 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.751 -2.609 -6.926 1.00 0.00 H new ATOM 510 N ASN A 68 27.268 -0.923 -9.240 1.00 0.00 N ATOM 511 CA ASN A 68 27.516 0.456 -9.645 1.00 0.00 C ATOM 512 C ASN A 68 27.196 0.629 -11.132 1.00 0.00 C ATOM 513 O ASN A 68 26.702 1.678 -11.538 1.00 0.00 O ATOM 514 CB ASN A 68 28.976 0.829 -9.352 1.00 0.00 C ATOM 515 CG ASN A 68 29.135 1.336 -7.920 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.533 2.477 -7.703 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.825 0.488 -6.939 1.00 0.00 N ATOM 0 H ASN A 68 28.089 -1.409 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 68 26.869 1.123 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.615 -0.040 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.306 1.596 -10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.915 0.779 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.498 -0.452 -7.162 1.00 0.00 H new ATOM 524 N TYR A 69 27.471 -0.403 -11.941 1.00 0.00 N ATOM 525 CA TYR A 69 27.196 -0.356 -13.372 1.00 0.00 C ATOM 526 C TYR A 69 25.713 -0.634 -13.649 1.00 0.00 C ATOM 527 O TYR A 69 25.247 -0.397 -14.762 1.00 0.00 O ATOM 528 CB TYR A 69 28.070 -1.386 -14.100 1.00 0.00 C ATOM 529 CG TYR A 69 29.567 -1.213 -13.891 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.130 0.067 -13.697 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.403 -2.344 -13.912 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.518 0.206 -13.523 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.789 -2.201 -13.744 1.00 0.00 C ATOM 534 CZ TYR A 69 32.346 -0.928 -13.548 1.00 0.00 C ATOM 535 OH TYR A 69 33.693 -0.791 -13.384 1.00 0.00 O ATOM 0 H TYR A 69 27.884 -1.279 -11.622 1.00 0.00 H new ATOM 0 HA TYR A 69 27.431 0.642 -13.741 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.784 -2.384 -13.768 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.858 -1.332 -15.168 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.494 0.940 -13.682 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.977 -3.326 -14.058 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.948 1.185 -13.370 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.428 -3.072 -13.766 1.00 0.00 H new ATOM 0 HH TYR A 69 34.119 -1.673 -13.427 1.00 0.00 H new ATOM 545 N LEU A 70 24.973 -1.135 -12.641 1.00 0.00 N ATOM 546 CA LEU A 70 23.552 -1.443 -12.788 1.00 0.00 C ATOM 547 C LEU A 70 22.729 -0.635 -11.777 1.00 0.00 C ATOM 548 O LEU A 70 22.339 -1.176 -10.740 1.00 0.00 O ATOM 549 CB LEU A 70 23.328 -2.946 -12.555 1.00 0.00 C ATOM 550 CG LEU A 70 24.018 -3.785 -13.640 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.781 -5.268 -13.344 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.442 -3.448 -15.018 1.00 0.00 C ATOM 0 H LEU A 70 25.347 -1.333 -11.713 1.00 0.00 H new ATOM 0 HA LEU A 70 23.231 -1.178 -13.795 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.714 -3.226 -11.575 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.259 -3.161 -12.550 1.00 0.00 H new ATOM 0 HG LEU A 70 25.086 -3.565 -13.640 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.267 -5.874 -14.109 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.197 -5.515 -12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.710 -5.473 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.940 -4.050 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.373 -3.663 -15.028 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.602 -2.391 -15.230 1.00 0.00 H new ATOM 564 N PRO A 71 22.449 0.657 -12.070 1.00 0.00 N ATOM 565 CA PRO A 71 21.647 1.504 -11.202 1.00 0.00 C ATOM 566 C PRO A 71 20.182 1.044 -11.238 1.00 0.00 C ATOM 567 O PRO A 71 19.329 1.699 -11.830 1.00 0.00 O ATOM 568 CB PRO A 71 21.822 2.926 -11.751 1.00 0.00 C ATOM 569 CG PRO A 71 22.418 2.776 -13.155 1.00 0.00 C ATOM 570 CD PRO A 71 22.911 1.332 -13.268 1.00 0.00 C ATOM 0 HA PRO A 71 21.955 1.456 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.866 3.448 -11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.481 3.512 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.670 2.991 -13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.238 3.478 -13.305 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.514 0.853 -14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.998 1.295 -13.342 1.00 0.00 H new ATOM 578 N ASN A 72 19.911 -0.100 -10.602 1.00 0.00 N ATOM 579 CA ASN A 72 18.583 -0.706 -10.557 1.00 0.00 C ATOM 580 C ASN A 72 18.630 -1.973 -9.706 1.00 0.00 C ATOM 581 O ASN A 72 17.674 -2.276 -8.994 1.00 0.00 O ATOM 582 CB ASN A 72 18.095 -1.040 -11.980 1.00 0.00 C ATOM 583 CG ASN A 72 16.769 -0.348 -12.287 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.710 -0.970 -12.196 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.822 0.931 -12.649 1.00 0.00 N ATOM 0 H ASN A 72 20.619 -0.635 -10.099 1.00 0.00 H new ATOM 0 HA ASN A 72 17.884 0.002 -10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.846 -0.731 -12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.977 -2.119 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.962 1.436 -12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.722 1.407 -12.711 1.00 0.00 H new ATOM 592 N ARG A 73 19.744 -2.714 -9.791 1.00 0.00 N ATOM 593 CA ARG A 73 19.929 -3.946 -9.038 1.00 0.00 C ATOM 594 C ARG A 73 21.190 -3.813 -8.189 1.00 0.00 C ATOM 595 O ARG A 73 22.297 -3.786 -8.722 1.00 0.00 O ATOM 596 CB ARG A 73 20.038 -5.131 -10.012 1.00 0.00 C ATOM 597 CG ARG A 73 18.799 -5.202 -10.926 1.00 0.00 C ATOM 598 CD ARG A 73 17.565 -5.644 -10.128 1.00 0.00 C ATOM 599 NE ARG A 73 16.377 -5.726 -10.995 1.00 0.00 N ATOM 600 CZ ARG A 73 15.641 -4.653 -11.349 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.959 -3.433 -10.897 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.584 -4.803 -12.156 1.00 0.00 N ATOM 0 H ARG A 73 20.536 -2.470 -10.385 1.00 0.00 H new ATOM 0 HA ARG A 73 19.078 -4.126 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 73 20.938 -5.028 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.136 -6.061 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.617 -4.227 -11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.981 -5.902 -11.742 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.753 -6.615 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.380 -4.939 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 73 16.097 -6.642 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.763 -3.311 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.398 -2.626 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.335 -5.729 -12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.027 -3.991 -12.424 1.00 0.00 H new ATOM 616 N THR A 74 21.017 -3.720 -6.864 1.00 0.00 N ATOM 617 CA THR A 74 22.135 -3.559 -5.943 1.00 0.00 C ATOM 618 C THR A 74 22.994 -4.826 -5.917 1.00 0.00 C ATOM 619 O THR A 74 22.668 -5.818 -6.565 1.00 0.00 O ATOM 620 CB THR A 74 21.597 -3.238 -4.543 1.00 0.00 C ATOM 621 OG1 THR A 74 20.679 -4.234 -4.148 1.00 0.00 O ATOM 622 CG2 THR A 74 20.895 -1.877 -4.556 1.00 0.00 C ATOM 0 H THR A 74 20.104 -3.755 -6.410 1.00 0.00 H new ATOM 0 HA THR A 74 22.764 -2.735 -6.280 1.00 0.00 H new ATOM 0 HB THR A 74 22.429 -3.209 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.208 -3.943 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.515 -1.654 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.604 -1.105 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.066 -1.902 -5.263 1.00 0.00 H new ATOM 630 N ASP A 75 24.096 -4.781 -5.162 1.00 0.00 N ATOM 631 CA ASP A 75 25.020 -5.901 -5.047 1.00 0.00 C ATOM 632 C ASP A 75 24.292 -7.144 -4.531 1.00 0.00 C ATOM 633 O ASP A 75 24.490 -8.238 -5.055 1.00 0.00 O ATOM 634 CB ASP A 75 26.173 -5.510 -4.110 1.00 0.00 C ATOM 635 CG ASP A 75 25.672 -5.183 -2.703 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.792 -4.298 -2.601 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.178 -5.825 -1.759 1.00 0.00 O ATOM 0 H ASP A 75 24.368 -3.964 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 75 25.427 -6.140 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.893 -6.326 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.698 -4.647 -4.519 1.00 0.00 H new ATOM 642 N VAL A 76 23.451 -6.970 -3.508 1.00 0.00 N ATOM 643 CA VAL A 76 22.698 -8.069 -2.924 1.00 0.00 C ATOM 644 C VAL A 76 21.782 -8.694 -3.979 1.00 0.00 C ATOM 645 O VAL A 76 21.719 -9.917 -4.103 1.00 0.00 O ATOM 646 CB VAL A 76 21.886 -7.540 -1.730 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.020 -8.661 -1.152 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.837 -7.027 -0.644 1.00 0.00 C ATOM 0 H VAL A 76 23.278 -6.066 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 76 23.380 -8.843 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 76 21.246 -6.726 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.448 -8.279 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.336 -9.025 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.659 -9.479 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.258 -6.653 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.481 -7.841 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.450 -6.222 -1.048 1.00 0.00 H new ATOM 658 N GLN A 77 21.069 -7.852 -4.734 1.00 0.00 N ATOM 659 CA GLN A 77 20.142 -8.318 -5.758 1.00 0.00 C ATOM 660 C GLN A 77 20.898 -9.008 -6.894 1.00 0.00 C ATOM 661 O GLN A 77 20.449 -10.037 -7.389 1.00 0.00 O ATOM 662 CB GLN A 77 19.326 -7.129 -6.282 1.00 0.00 C ATOM 663 CG GLN A 77 17.992 -7.036 -5.529 1.00 0.00 C ATOM 664 CD GLN A 77 18.188 -7.146 -4.018 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.819 -8.150 -3.414 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.769 -6.115 -3.410 1.00 0.00 N ATOM 0 H GLN A 77 21.121 -6.837 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 77 19.461 -9.050 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.890 -6.205 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.143 -7.245 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.506 -6.089 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.326 -7.830 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.060 -5.301 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.924 -6.139 -2.402 1.00 0.00 H new ATOM 675 N CYS A 78 22.041 -8.449 -7.307 1.00 0.00 N ATOM 676 CA CYS A 78 22.840 -9.037 -8.376 1.00 0.00 C ATOM 677 C CYS A 78 23.339 -10.411 -7.937 1.00 0.00 C ATOM 678 O CYS A 78 23.241 -11.381 -8.689 1.00 0.00 O ATOM 679 CB CYS A 78 24.023 -8.121 -8.712 1.00 0.00 C ATOM 680 SG CYS A 78 23.420 -6.687 -9.638 1.00 0.00 S ATOM 0 H CYS A 78 22.429 -7.591 -6.915 1.00 0.00 H new ATOM 0 HA CYS A 78 22.226 -9.149 -9.270 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.518 -7.796 -7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.763 -8.664 -9.300 1.00 0.00 H new ATOM 0 HG CYS A 78 23.014 -5.773 -8.807 1.00 0.00 H new ATOM 686 N GLN A 79 23.874 -10.487 -6.713 1.00 0.00 N ATOM 687 CA GLN A 79 24.387 -11.728 -6.162 1.00 0.00 C ATOM 688 C GLN A 79 23.281 -12.778 -6.122 1.00 0.00 C ATOM 689 O GLN A 79 23.460 -13.881 -6.631 1.00 0.00 O ATOM 690 CB GLN A 79 24.941 -11.462 -4.758 1.00 0.00 C ATOM 691 CG GLN A 79 25.499 -12.758 -4.163 1.00 0.00 C ATOM 692 CD GLN A 79 26.257 -12.478 -2.871 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.464 -12.690 -2.798 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.545 -12.000 -1.849 1.00 0.00 N ATOM 0 H GLN A 79 23.959 -9.688 -6.085 1.00 0.00 H new ATOM 0 HA GLN A 79 25.190 -12.109 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.725 -10.706 -4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.154 -11.066 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.684 -13.454 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.163 -13.238 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.543 -11.839 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.002 -11.795 -0.961 1.00 0.00 H new ATOM 703 N HIS A 80 22.137 -12.432 -5.516 1.00 0.00 N ATOM 704 CA HIS A 80 21.011 -13.348 -5.410 1.00 0.00 C ATOM 705 C HIS A 80 20.578 -13.808 -6.797 1.00 0.00 C ATOM 706 O HIS A 80 20.481 -15.005 -7.047 1.00 0.00 O ATOM 707 CB HIS A 80 19.850 -12.656 -4.688 1.00 0.00 C ATOM 708 CG HIS A 80 20.082 -12.512 -3.207 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.431 -11.556 -2.436 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.881 -13.192 -2.321 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.865 -11.715 -1.170 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.754 -12.699 -1.032 1.00 0.00 N ATOM 0 H HIS A 80 21.974 -11.518 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 80 21.312 -14.224 -4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.695 -11.669 -5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.935 -13.225 -4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.529 -14.011 -2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.525 -11.104 -0.347 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.226 -13.013 -0.184 1.00 0.00 H new ATOM 720 N ARG A 81 20.316 -12.856 -7.697 1.00 0.00 N ATOM 721 CA ARG A 81 19.880 -13.172 -9.047 1.00 0.00 C ATOM 722 C ARG A 81 20.827 -14.184 -9.683 1.00 0.00 C ATOM 723 O ARG A 81 20.377 -15.162 -10.273 1.00 0.00 O ATOM 724 CB ARG A 81 19.826 -11.882 -9.882 1.00 0.00 C ATOM 725 CG ARG A 81 19.483 -12.200 -11.350 1.00 0.00 C ATOM 726 CD ARG A 81 18.111 -12.874 -11.438 1.00 0.00 C ATOM 727 NE ARG A 81 17.623 -12.907 -12.823 1.00 0.00 N ATOM 728 CZ ARG A 81 16.472 -13.504 -13.177 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.758 -14.179 -12.265 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.035 -13.427 -14.439 1.00 0.00 N ATOM 0 H ARG A 81 20.401 -11.857 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 81 18.884 -13.614 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.079 -11.205 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.786 -11.368 -9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.484 -11.282 -11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.245 -12.853 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.176 -13.890 -11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.399 -12.338 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 81 18.182 -12.457 -13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.088 -14.240 -11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.885 -14.632 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.576 -12.914 -15.136 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.161 -13.881 -14.705 1.00 0.00 H new ATOM 744 N TRP A 82 22.138 -13.947 -9.575 1.00 0.00 N ATOM 745 CA TRP A 82 23.109 -14.818 -10.199 1.00 0.00 C ATOM 746 C TRP A 82 23.235 -16.156 -9.462 1.00 0.00 C ATOM 747 O TRP A 82 22.858 -17.195 -9.993 1.00 0.00 O ATOM 748 CB TRP A 82 24.471 -14.141 -10.277 1.00 0.00 C ATOM 749 CG TRP A 82 25.467 -14.990 -10.988 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.334 -15.832 -10.407 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.666 -15.156 -12.421 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.052 -16.521 -11.347 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.682 -16.139 -12.624 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.082 -14.591 -13.578 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.095 -16.536 -13.897 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.499 -14.990 -14.864 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.502 -15.962 -15.021 1.00 0.00 C ATOM 0 H TRP A 82 22.538 -13.161 -9.062 1.00 0.00 H new ATOM 0 HA TRP A 82 22.752 -15.022 -11.208 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.374 -13.185 -10.792 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.829 -13.926 -9.270 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.450 -15.951 -9.340 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.763 -17.221 -11.135 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.308 -13.845 -13.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.868 -17.282 -14.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.044 -14.545 -15.736 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.813 -16.264 -16.010 1.00 0.00 H new ATOM 768 N GLN A 83 23.800 -16.125 -8.253 1.00 0.00 N ATOM 769 CA GLN A 83 24.092 -17.333 -7.491 1.00 0.00 C ATOM 770 C GLN A 83 22.843 -18.180 -7.250 1.00 0.00 C ATOM 771 O GLN A 83 22.923 -19.407 -7.272 1.00 0.00 O ATOM 772 CB GLN A 83 24.718 -16.938 -6.143 1.00 0.00 C ATOM 773 CG GLN A 83 26.102 -16.305 -6.355 1.00 0.00 C ATOM 774 CD GLN A 83 27.121 -17.334 -6.848 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.925 -18.535 -6.692 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.214 -16.857 -7.445 1.00 0.00 N ATOM 0 H GLN A 83 24.066 -15.262 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 83 24.787 -17.938 -8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.066 -16.235 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.808 -17.818 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.025 -15.493 -7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.450 -15.867 -5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.337 -15.850 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.927 -17.499 -7.792 1.00 0.00 H new ATOM 785 N LYS A 84 21.701 -17.539 -6.994 1.00 0.00 N ATOM 786 CA LYS A 84 20.486 -18.255 -6.638 1.00 0.00 C ATOM 787 C LYS A 84 19.599 -18.564 -7.853 1.00 0.00 C ATOM 788 O LYS A 84 18.736 -19.435 -7.752 1.00 0.00 O ATOM 789 CB LYS A 84 19.714 -17.424 -5.602 1.00 0.00 C ATOM 790 CG LYS A 84 18.904 -18.347 -4.689 1.00 0.00 C ATOM 791 CD LYS A 84 18.130 -17.506 -3.668 1.00 0.00 C ATOM 792 CE LYS A 84 17.377 -18.422 -2.697 1.00 0.00 C ATOM 793 NZ LYS A 84 16.331 -19.197 -3.391 1.00 0.00 N ATOM 0 H LYS A 84 21.598 -16.525 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 84 20.770 -19.220 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.409 -16.831 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.049 -16.724 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.212 -18.946 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.568 -19.042 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.818 -16.865 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.427 -16.851 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.080 -19.104 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.925 -17.823 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.721 -19.662 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.758 -18.558 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.776 -19.917 -3.995 1.00 0.00 H new ATOM 807 N VAL A 85 19.777 -17.863 -8.995 1.00 0.00 N ATOM 808 CA VAL A 85 18.899 -18.081 -10.157 1.00 0.00 C ATOM 809 C VAL A 85 19.670 -17.942 -11.477 1.00 0.00 C ATOM 810 O VAL A 85 19.163 -17.349 -12.424 1.00 0.00 O ATOM 811 CB VAL A 85 17.714 -17.078 -10.126 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.523 -17.667 -10.893 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.274 -16.779 -8.687 1.00 0.00 C ATOM 0 H VAL A 85 20.503 -17.159 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 85 18.513 -19.099 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 85 18.047 -16.150 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 85 15.692 -16.962 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.813 -17.854 -11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.217 -18.604 -10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.443 -16.074 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.958 -17.703 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.108 -16.347 -8.134 1.00 0.00 H new ATOM 823 N LEU A 86 20.886 -18.491 -11.551 1.00 0.00 N ATOM 824 CA LEU A 86 21.690 -18.420 -12.769 1.00 0.00 C ATOM 825 C LEU A 86 22.899 -19.342 -12.666 1.00 0.00 C ATOM 826 O LEU A 86 23.199 -19.877 -11.600 1.00 0.00 O ATOM 827 CB LEU A 86 22.152 -16.954 -12.999 1.00 0.00 C ATOM 828 CG LEU A 86 21.743 -16.330 -14.373 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.054 -17.318 -15.322 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.820 -15.130 -14.138 1.00 0.00 C ATOM 0 H LEU A 86 21.333 -18.989 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 86 21.084 -18.745 -13.614 1.00 0.00 H new ATOM 0 HB2 LEU A 86 21.744 -16.333 -12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.238 -16.915 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 86 22.670 -16.025 -14.858 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.801 -16.811 -16.253 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.727 -18.150 -15.532 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.144 -17.696 -14.856 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.536 -14.696 -15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.925 -15.457 -13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.341 -14.381 -13.541 1.00 0.00 H new