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 79 GLN : amide:sc= 0.831 K(o=2.1,f=0.54) USER MOD Set 1.2: A 83 GLN : amide:sc= 1.31 K(o=2.1,f=-2.4!) USER MOD Set 2.1: A 74 THR OG1 : rot 110:sc= 0.553 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.575 K(o=1.1,f=-0.14) USER MOD Set 3.1: A 53 LYS NZ :NH3+ 140:sc= 1.17 (180deg=-0.143) USER MOD Set 3.2: A 57 GLN : amide:sc= 1 K(o=2.2,f=-3.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= 1.08 (180deg=0.564) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.587 (180deg=-1.31) USER MOD Single : A 58 ASN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 1.06 (180deg=-0.0101) USER MOD Single : A 68 ASN : amide:sc=-0.00272 K(o=-0.0027,f=-0.91) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 99:sc= 0.197 USER MOD Single : A 80 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.166 -10.036 -13.280 1.00 0.00 N ATOM 90 CA TRP A 43 14.149 -9.318 -14.079 1.00 0.00 C ATOM 91 C TRP A 43 13.733 -9.354 -15.550 1.00 0.00 C ATOM 92 O TRP A 43 12.699 -9.929 -15.892 1.00 0.00 O ATOM 93 CB TRP A 43 15.515 -9.989 -13.895 1.00 0.00 C ATOM 94 CG TRP A 43 16.307 -9.523 -12.713 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.897 -9.527 -11.432 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.664 -8.991 -12.681 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.881 -9.045 -10.600 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.007 -8.695 -11.324 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.646 -8.729 -13.660 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.253 -8.172 -10.965 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.900 -8.194 -13.306 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.206 -7.921 -11.960 1.00 0.00 C ATOM 0 HA TRP A 43 14.210 -8.278 -13.759 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.363 -11.065 -13.808 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.106 -9.823 -14.795 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.926 -9.863 -11.101 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.793 -8.958 -9.588 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.433 -8.942 -14.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.478 -7.963 -9.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.632 -7.992 -14.074 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.173 -7.519 -11.695 1.00 0.00 H new ATOM 113 N THR A 44 14.553 -8.746 -16.417 1.00 0.00 N ATOM 114 CA THR A 44 14.314 -8.736 -17.854 1.00 0.00 C ATOM 115 C THR A 44 15.565 -9.264 -18.561 1.00 0.00 C ATOM 116 O THR A 44 16.675 -9.138 -18.042 1.00 0.00 O ATOM 117 CB THR A 44 13.941 -7.317 -18.321 1.00 0.00 C ATOM 118 OG1 THR A 44 13.935 -7.273 -19.733 1.00 0.00 O ATOM 119 CG2 THR A 44 14.942 -6.291 -17.787 1.00 0.00 C ATOM 0 H THR A 44 15.398 -8.249 -16.136 1.00 0.00 H new ATOM 0 HA THR A 44 13.474 -9.384 -18.106 1.00 0.00 H new ATOM 0 HB THR A 44 12.951 -7.073 -17.936 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.696 -6.371 -20.031 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.660 -5.295 -18.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.941 -6.314 -16.697 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.940 -6.531 -18.154 1.00 0.00 H new ATOM 127 N ARG A 45 15.375 -9.869 -19.740 1.00 0.00 N ATOM 128 CA ARG A 45 16.468 -10.472 -20.499 1.00 0.00 C ATOM 129 C ARG A 45 17.579 -9.457 -20.772 1.00 0.00 C ATOM 130 O ARG A 45 18.752 -9.821 -20.780 1.00 0.00 O ATOM 131 CB ARG A 45 15.918 -11.048 -21.814 1.00 0.00 C ATOM 132 CG ARG A 45 16.174 -12.561 -21.878 1.00 0.00 C ATOM 133 CD ARG A 45 15.380 -13.283 -20.775 1.00 0.00 C ATOM 134 NE ARG A 45 16.233 -13.596 -19.616 1.00 0.00 N ATOM 135 CZ ARG A 45 17.085 -14.635 -19.581 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.209 -15.449 -20.639 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.812 -14.853 -18.481 1.00 0.00 N ATOM 0 H ARG A 45 14.463 -9.952 -20.189 1.00 0.00 H new ATOM 0 HA ARG A 45 16.904 -11.278 -19.908 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.849 -10.849 -21.888 1.00 0.00 H new ATOM 0 HB3 ARG A 45 16.393 -10.555 -22.662 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.883 -12.945 -22.856 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.239 -12.762 -21.760 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.546 -12.658 -20.456 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.954 -14.203 -21.174 1.00 0.00 H new ATOM 0 HE ARG A 45 16.174 -12.992 -18.796 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.654 -15.282 -21.479 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.858 -16.235 -20.604 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.718 -14.233 -17.676 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.461 -15.639 -18.446 1.00 0.00 H new ATOM 151 N GLU A 46 17.215 -8.191 -20.996 1.00 0.00 N ATOM 152 CA GLU A 46 18.195 -7.147 -21.262 1.00 0.00 C ATOM 153 C GLU A 46 19.160 -7.028 -20.078 1.00 0.00 C ATOM 154 O GLU A 46 20.378 -6.999 -20.262 1.00 0.00 O ATOM 155 CB GLU A 46 17.460 -5.825 -21.508 1.00 0.00 C ATOM 156 CG GLU A 46 18.461 -4.735 -21.900 1.00 0.00 C ATOM 157 CD GLU A 46 17.738 -3.450 -22.281 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.340 -2.724 -21.345 1.00 0.00 O ATOM 159 OE2 GLU A 46 17.594 -3.220 -23.501 1.00 0.00 O ATOM 0 H GLU A 46 16.247 -7.869 -20.997 1.00 0.00 H new ATOM 0 HA GLU A 46 18.778 -7.396 -22.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.720 -5.952 -22.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.919 -5.528 -20.610 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.140 -4.543 -21.070 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.069 -5.077 -22.737 1.00 0.00 H new ATOM 166 N GLU A 47 18.605 -6.960 -18.863 1.00 0.00 N ATOM 167 CA GLU A 47 19.397 -6.824 -17.651 1.00 0.00 C ATOM 168 C GLU A 47 20.173 -8.115 -17.380 1.00 0.00 C ATOM 169 O GLU A 47 21.311 -8.060 -16.931 1.00 0.00 O ATOM 170 CB GLU A 47 18.471 -6.486 -16.478 1.00 0.00 C ATOM 171 CG GLU A 47 19.255 -5.759 -15.380 1.00 0.00 C ATOM 172 CD GLU A 47 19.116 -4.249 -15.525 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.020 -3.750 -15.175 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.100 -3.624 -15.979 1.00 0.00 O ATOM 0 H GLU A 47 17.599 -6.998 -18.700 1.00 0.00 H new ATOM 0 HA GLU A 47 20.120 -6.017 -17.774 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.648 -5.860 -16.823 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.031 -7.399 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.891 -6.070 -14.401 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.307 -6.039 -15.432 1.00 0.00 H new ATOM 181 N ASP A 48 19.559 -9.277 -17.656 1.00 0.00 N ATOM 182 CA ASP A 48 20.219 -10.564 -17.454 1.00 0.00 C ATOM 183 C ASP A 48 21.479 -10.632 -18.316 1.00 0.00 C ATOM 184 O ASP A 48 22.556 -10.957 -17.819 1.00 0.00 O ATOM 185 CB ASP A 48 19.266 -11.711 -17.823 1.00 0.00 C ATOM 186 CG ASP A 48 18.149 -11.886 -16.799 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.303 -11.364 -15.677 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.152 -12.557 -17.157 1.00 0.00 O ATOM 0 H ASP A 48 18.608 -9.345 -18.019 1.00 0.00 H new ATOM 0 HA ASP A 48 20.495 -10.664 -16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.830 -11.518 -18.803 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.832 -12.639 -17.903 1.00 0.00 H new ATOM 193 N GLU A 49 21.336 -10.326 -19.610 1.00 0.00 N ATOM 194 CA GLU A 49 22.453 -10.348 -20.542 1.00 0.00 C ATOM 195 C GLU A 49 23.526 -9.358 -20.085 1.00 0.00 C ATOM 196 O GLU A 49 24.710 -9.696 -20.040 1.00 0.00 O ATOM 197 CB GLU A 49 21.939 -9.994 -21.946 1.00 0.00 C ATOM 198 CG GLU A 49 22.999 -10.333 -23.004 1.00 0.00 C ATOM 199 CD GLU A 49 22.797 -11.741 -23.561 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.634 -12.666 -22.735 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.812 -11.866 -24.802 1.00 0.00 O ATOM 0 H GLU A 49 20.447 -10.059 -20.032 1.00 0.00 H new ATOM 0 HA GLU A 49 22.899 -11.342 -20.570 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.020 -10.543 -22.153 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.694 -8.933 -21.994 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.950 -9.608 -23.816 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.993 -10.253 -22.565 1.00 0.00 H new ATOM 208 N LYS A 50 23.101 -8.135 -19.744 1.00 0.00 N ATOM 209 CA LYS A 50 24.004 -7.091 -19.286 1.00 0.00 C ATOM 210 C LYS A 50 24.792 -7.572 -18.061 1.00 0.00 C ATOM 211 O LYS A 50 26.012 -7.414 -18.005 1.00 0.00 O ATOM 212 CB LYS A 50 23.174 -5.844 -18.952 1.00 0.00 C ATOM 213 CG LYS A 50 24.085 -4.694 -18.518 1.00 0.00 C ATOM 214 CD LYS A 50 23.224 -3.519 -18.048 1.00 0.00 C ATOM 215 CE LYS A 50 24.115 -2.446 -17.416 1.00 0.00 C ATOM 216 NZ LYS A 50 23.312 -1.468 -16.661 1.00 0.00 N ATOM 0 H LYS A 50 22.122 -7.849 -19.780 1.00 0.00 H new ATOM 0 HA LYS A 50 24.725 -6.847 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.590 -5.545 -19.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.465 -6.074 -18.157 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.745 -5.021 -17.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.721 -4.385 -19.348 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.674 -3.099 -18.890 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.485 -3.864 -17.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.840 -2.916 -16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.681 -1.934 -18.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.896 -1.042 -15.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.977 -0.723 -17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.495 -1.947 -16.231 1.00 0.00 H new ATOM 230 N LEU A 51 24.089 -8.154 -17.082 1.00 0.00 N ATOM 231 CA LEU A 51 24.710 -8.633 -15.861 1.00 0.00 C ATOM 232 C LEU A 51 25.720 -9.724 -16.192 1.00 0.00 C ATOM 233 O LEU A 51 26.863 -9.653 -15.765 1.00 0.00 O ATOM 234 CB LEU A 51 23.619 -9.159 -14.917 1.00 0.00 C ATOM 235 CG LEU A 51 24.235 -9.666 -13.602 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.781 -8.491 -12.789 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.159 -10.382 -12.788 1.00 0.00 C ATOM 0 H LEU A 51 23.080 -8.301 -17.122 1.00 0.00 H new ATOM 0 HA LEU A 51 25.240 -7.820 -15.366 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.901 -8.367 -14.706 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.070 -9.966 -15.402 1.00 0.00 H new ATOM 0 HG LEU A 51 25.051 -10.352 -13.830 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.215 -8.862 -11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.547 -7.974 -13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.970 -7.799 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.590 -10.744 -11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.347 -9.689 -12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.771 -11.225 -13.360 1.00 0.00 H new ATOM 249 N LYS A 52 25.288 -10.731 -16.957 1.00 0.00 N ATOM 250 CA LYS A 52 26.146 -11.839 -17.344 1.00 0.00 C ATOM 251 C LYS A 52 27.449 -11.315 -17.948 1.00 0.00 C ATOM 252 O LYS A 52 28.532 -11.736 -17.546 1.00 0.00 O ATOM 253 CB LYS A 52 25.391 -12.715 -18.348 1.00 0.00 C ATOM 254 CG LYS A 52 26.246 -13.930 -18.750 1.00 0.00 C ATOM 255 CD LYS A 52 26.826 -13.743 -20.162 1.00 0.00 C ATOM 256 CE LYS A 52 25.820 -14.213 -21.224 1.00 0.00 C ATOM 257 NZ LYS A 52 24.599 -13.392 -21.207 1.00 0.00 N ATOM 0 H LYS A 52 24.337 -10.795 -17.321 1.00 0.00 H new ATOM 0 HA LYS A 52 26.404 -12.434 -16.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.451 -13.052 -17.911 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.139 -12.131 -19.233 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.056 -14.064 -18.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.639 -14.835 -18.718 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.072 -12.694 -20.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.754 -14.306 -20.258 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.280 -14.163 -22.211 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.561 -15.257 -21.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.057 -13.558 -22.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.018 -13.650 -20.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.858 -12.386 -21.146 1.00 0.00 H new ATOM 271 N LYS A 53 27.339 -10.397 -18.915 1.00 0.00 N ATOM 272 CA LYS A 53 28.502 -9.833 -19.579 1.00 0.00 C ATOM 273 C LYS A 53 29.446 -9.206 -18.554 1.00 0.00 C ATOM 274 O LYS A 53 30.626 -9.528 -18.532 1.00 0.00 O ATOM 275 CB LYS A 53 28.047 -8.793 -20.610 1.00 0.00 C ATOM 276 CG LYS A 53 29.266 -8.060 -21.184 1.00 0.00 C ATOM 277 CD LYS A 53 28.845 -7.239 -22.407 1.00 0.00 C ATOM 278 CE LYS A 53 29.930 -6.210 -22.749 1.00 0.00 C ATOM 279 NZ LYS A 53 31.242 -6.854 -22.952 1.00 0.00 N ATOM 0 H LYS A 53 26.448 -10.032 -19.251 1.00 0.00 H new ATOM 0 HA LYS A 53 29.044 -10.626 -20.094 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.494 -9.281 -21.412 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.368 -8.079 -20.144 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.700 -7.407 -20.427 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.036 -8.779 -21.464 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.678 -7.899 -23.258 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.901 -6.731 -22.207 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.647 -5.667 -23.651 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.004 -5.477 -21.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.730 -6.403 -23.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.817 -6.749 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.105 -7.865 -23.155 1.00 0.00 H new ATOM 293 N LEU A 54 28.928 -8.303 -17.717 1.00 0.00 N ATOM 294 CA LEU A 54 29.745 -7.606 -16.730 1.00 0.00 C ATOM 295 C LEU A 54 30.398 -8.593 -15.757 1.00 0.00 C ATOM 296 O LEU A 54 31.582 -8.463 -15.452 1.00 0.00 O ATOM 297 CB LEU A 54 28.876 -6.598 -15.969 1.00 0.00 C ATOM 298 CG LEU A 54 28.489 -5.428 -16.890 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.316 -4.667 -16.274 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.678 -4.473 -17.057 1.00 0.00 C ATOM 0 H LEU A 54 27.943 -8.039 -17.706 1.00 0.00 H new ATOM 0 HA LEU A 54 30.544 -7.076 -17.249 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.977 -7.090 -15.597 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.417 -6.223 -15.100 1.00 0.00 H new ATOM 0 HG LEU A 54 28.206 -5.822 -17.866 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.039 -3.837 -16.924 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.465 -5.339 -16.161 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.606 -4.281 -15.297 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.393 -3.648 -17.711 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.969 -4.080 -16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.518 -5.011 -17.496 1.00 0.00 H new ATOM 312 N VAL A 55 29.631 -9.569 -15.267 1.00 0.00 N ATOM 313 CA VAL A 55 30.136 -10.544 -14.310 1.00 0.00 C ATOM 314 C VAL A 55 31.291 -11.342 -14.916 1.00 0.00 C ATOM 315 O VAL A 55 32.324 -11.501 -14.280 1.00 0.00 O ATOM 316 CB VAL A 55 28.992 -11.474 -13.875 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.556 -12.668 -13.099 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.025 -10.706 -12.971 1.00 0.00 C ATOM 0 H VAL A 55 28.652 -9.702 -15.522 1.00 0.00 H new ATOM 0 HA VAL A 55 30.518 -10.023 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 55 28.468 -11.831 -14.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.739 -13.322 -12.794 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.247 -13.222 -13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.084 -12.311 -12.215 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.214 -11.365 -12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.557 -10.349 -12.089 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.614 -9.856 -13.516 1.00 0.00 H new ATOM 328 N GLU A 56 31.116 -11.846 -16.138 1.00 0.00 N ATOM 329 CA GLU A 56 32.146 -12.639 -16.796 1.00 0.00 C ATOM 330 C GLU A 56 33.334 -11.758 -17.202 1.00 0.00 C ATOM 331 O GLU A 56 34.478 -12.206 -17.164 1.00 0.00 O ATOM 332 CB GLU A 56 31.540 -13.328 -18.022 1.00 0.00 C ATOM 333 CG GLU A 56 30.558 -14.416 -17.570 1.00 0.00 C ATOM 334 CD GLU A 56 29.872 -15.075 -18.762 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.273 -14.755 -19.903 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.955 -15.886 -18.509 1.00 0.00 O ATOM 0 H GLU A 56 30.268 -11.717 -16.690 1.00 0.00 H new ATOM 0 HA GLU A 56 32.517 -13.394 -16.103 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.026 -12.596 -18.645 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.329 -13.767 -18.632 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.090 -15.171 -16.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.807 -13.980 -16.911 1.00 0.00 H new ATOM 343 N GLN A 57 33.058 -10.511 -17.598 1.00 0.00 N ATOM 344 CA GLN A 57 34.089 -9.585 -18.045 1.00 0.00 C ATOM 345 C GLN A 57 35.013 -9.193 -16.890 1.00 0.00 C ATOM 346 O GLN A 57 36.227 -9.355 -16.986 1.00 0.00 O ATOM 347 CB GLN A 57 33.411 -8.340 -18.634 1.00 0.00 C ATOM 348 CG GLN A 57 34.458 -7.396 -19.226 1.00 0.00 C ATOM 349 CD GLN A 57 33.782 -6.195 -19.879 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.086 -6.341 -20.885 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.981 -5.007 -19.307 1.00 0.00 N ATOM 0 H GLN A 57 32.115 -10.122 -17.616 1.00 0.00 H new ATOM 0 HA GLN A 57 34.701 -10.069 -18.806 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.700 -8.635 -19.406 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.844 -7.825 -17.858 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.137 -7.058 -18.443 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.061 -7.927 -19.963 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.565 -4.933 -18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.549 -4.172 -19.702 1.00 0.00 H new ATOM 360 N ASN A 58 34.435 -8.659 -15.811 1.00 0.00 N ATOM 361 CA ASN A 58 35.206 -8.177 -14.672 1.00 0.00 C ATOM 362 C ASN A 58 35.521 -9.321 -13.713 1.00 0.00 C ATOM 363 O ASN A 58 36.645 -9.429 -13.227 1.00 0.00 O ATOM 364 CB ASN A 58 34.413 -7.076 -13.957 1.00 0.00 C ATOM 365 CG ASN A 58 34.124 -5.909 -14.900 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.862 -4.929 -14.923 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.045 -6.017 -15.678 1.00 0.00 N ATOM 0 H ASN A 58 33.426 -8.551 -15.706 1.00 0.00 H new ATOM 0 HA ASN A 58 36.153 -7.768 -15.025 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.475 -7.485 -13.580 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.975 -6.720 -13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.806 -5.266 -16.325 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.460 -6.851 -15.625 1.00 0.00 H new ATOM 374 N GLY A 59 34.522 -10.166 -13.438 1.00 0.00 N ATOM 375 CA GLY A 59 34.665 -11.286 -12.519 1.00 0.00 C ATOM 376 C GLY A 59 33.576 -11.206 -11.453 1.00 0.00 C ATOM 377 O GLY A 59 33.062 -10.122 -11.173 1.00 0.00 O ATOM 0 H GLY A 59 33.592 -10.087 -13.850 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.590 -12.228 -13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.650 -11.265 -12.052 1.00 0.00 H new ATOM 381 N THR A 60 33.222 -12.351 -10.855 1.00 0.00 N ATOM 382 CA THR A 60 32.190 -12.398 -9.823 1.00 0.00 C ATOM 383 C THR A 60 32.795 -11.993 -8.471 1.00 0.00 C ATOM 384 O THR A 60 32.666 -12.718 -7.485 1.00 0.00 O ATOM 385 CB THR A 60 31.583 -13.814 -9.766 1.00 0.00 C ATOM 386 OG1 THR A 60 31.545 -14.378 -11.062 1.00 0.00 O ATOM 387 CG2 THR A 60 30.167 -13.742 -9.217 1.00 0.00 C ATOM 0 H THR A 60 33.639 -13.256 -11.072 1.00 0.00 H new ATOM 0 HA THR A 60 31.392 -11.695 -10.061 1.00 0.00 H new ATOM 0 HB THR A 60 32.201 -14.435 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.160 -15.278 -11.016 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.741 -14.744 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.187 -13.317 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 60 29.557 -13.113 -9.865 1.00 0.00 H new ATOM 395 N ASP A 61 33.461 -10.830 -8.439 1.00 0.00 N ATOM 396 CA ASP A 61 34.104 -10.324 -7.235 1.00 0.00 C ATOM 397 C ASP A 61 33.112 -9.447 -6.453 1.00 0.00 C ATOM 398 O ASP A 61 31.950 -9.825 -6.296 1.00 0.00 O ATOM 399 CB ASP A 61 35.366 -9.550 -7.650 1.00 0.00 C ATOM 400 CG ASP A 61 36.312 -9.361 -6.470 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.959 -10.361 -6.094 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.367 -8.218 -5.969 1.00 0.00 O ATOM 0 H ASP A 61 33.565 -10.220 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 61 34.402 -11.138 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.879 -10.087 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.083 -8.577 -8.052 1.00 0.00 H new ATOM 407 N ASP A 62 33.565 -8.279 -5.965 1.00 0.00 N ATOM 408 CA ASP A 62 32.712 -7.364 -5.216 1.00 0.00 C ATOM 409 C ASP A 62 31.468 -7.006 -6.022 1.00 0.00 C ATOM 410 O ASP A 62 31.563 -6.392 -7.087 1.00 0.00 O ATOM 411 CB ASP A 62 33.494 -6.092 -4.851 1.00 0.00 C ATOM 412 CG ASP A 62 33.514 -5.874 -3.344 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.356 -6.512 -2.683 1.00 0.00 O ATOM 414 OD2 ASP A 62 32.676 -5.063 -2.881 1.00 0.00 O ATOM 0 H ASP A 62 34.524 -7.953 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 62 32.395 -7.860 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.515 -6.170 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.041 -5.230 -5.340 1.00 0.00 H new ATOM 419 N TRP A 63 30.298 -7.381 -5.500 1.00 0.00 N ATOM 420 CA TRP A 63 29.034 -7.076 -6.143 1.00 0.00 C ATOM 421 C TRP A 63 28.736 -5.582 -6.032 1.00 0.00 C ATOM 422 O TRP A 63 27.866 -5.075 -6.729 1.00 0.00 O ATOM 423 CB TRP A 63 27.933 -7.924 -5.512 1.00 0.00 C ATOM 424 CG TRP A 63 27.974 -9.355 -5.936 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.325 -10.399 -5.166 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.679 -9.922 -7.246 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.278 -11.573 -5.880 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.882 -11.337 -7.183 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.268 -9.389 -8.489 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.687 -12.169 -8.286 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.061 -10.228 -9.603 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.271 -11.613 -9.501 1.00 0.00 C ATOM 0 H TRP A 63 30.208 -7.900 -4.627 1.00 0.00 H new ATOM 0 HA TRP A 63 29.085 -7.318 -7.204 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.020 -7.871 -4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 63 26.963 -7.502 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.606 -10.326 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.504 -12.492 -5.500 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.110 -8.325 -8.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.856 -13.233 -8.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.739 -9.803 -10.542 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.112 -12.248 -10.360 1.00 0.00 H new ATOM 443 N LYS A 64 29.475 -4.876 -5.166 1.00 0.00 N ATOM 444 CA LYS A 64 29.332 -3.441 -5.016 1.00 0.00 C ATOM 445 C LYS A 64 29.762 -2.757 -6.315 1.00 0.00 C ATOM 446 O LYS A 64 29.069 -1.876 -6.818 1.00 0.00 O ATOM 447 CB LYS A 64 30.206 -2.984 -3.844 1.00 0.00 C ATOM 448 CG LYS A 64 30.053 -1.476 -3.628 1.00 0.00 C ATOM 449 CD LYS A 64 30.743 -1.059 -2.321 1.00 0.00 C ATOM 450 CE LYS A 64 32.254 -1.335 -2.395 1.00 0.00 C ATOM 451 NZ LYS A 64 32.601 -2.641 -1.794 1.00 0.00 N ATOM 0 H LYS A 64 30.182 -5.290 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 64 28.295 -3.174 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.922 -3.519 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.250 -3.226 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.489 -0.934 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.996 -1.211 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.570 0.001 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.309 -1.605 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.577 -1.316 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.795 -0.542 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.526 -2.572 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.877 -2.905 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.644 -3.366 -2.539 1.00 0.00 H new ATOM 465 N VAL A 65 30.913 -3.178 -6.854 1.00 0.00 N ATOM 466 CA VAL A 65 31.449 -2.623 -8.088 1.00 0.00 C ATOM 467 C VAL A 65 30.483 -2.899 -9.238 1.00 0.00 C ATOM 468 O VAL A 65 30.214 -2.019 -10.052 1.00 0.00 O ATOM 469 CB VAL A 65 32.823 -3.253 -8.371 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.378 -2.720 -9.694 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.796 -2.908 -7.242 1.00 0.00 C ATOM 0 H VAL A 65 31.492 -3.911 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 65 31.568 -1.544 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 65 32.707 -4.335 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.351 -3.170 -9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.693 -2.972 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.485 -1.637 -9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.767 -3.357 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.904 -1.826 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.411 -3.295 -6.299 1.00 0.00 H new ATOM 481 N ILE A 66 29.967 -4.127 -9.301 1.00 0.00 N ATOM 482 CA ILE A 66 29.050 -4.528 -10.353 1.00 0.00 C ATOM 483 C ILE A 66 27.744 -3.737 -10.234 1.00 0.00 C ATOM 484 O ILE A 66 27.216 -3.264 -11.237 1.00 0.00 O ATOM 485 CB ILE A 66 28.813 -6.045 -10.263 1.00 0.00 C ATOM 486 CG1 ILE A 66 30.146 -6.775 -10.513 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.782 -6.472 -11.317 1.00 0.00 C ATOM 488 CD1 ILE A 66 30.057 -8.233 -10.067 1.00 0.00 C ATOM 0 H ILE A 66 30.175 -4.863 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 66 29.477 -4.308 -11.332 1.00 0.00 H new ATOM 0 HB ILE A 66 28.434 -6.300 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.398 -6.729 -11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.948 -6.273 -9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.617 -7.547 -11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.842 -5.949 -11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.154 -6.223 -12.311 1.00 0.00 H new ATOM 0 HD11 ILE A 66 31.010 -8.729 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.828 -8.274 -9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.270 -8.737 -10.627 1.00 0.00 H new ATOM 500 N ALA A 67 27.228 -3.588 -9.007 1.00 0.00 N ATOM 501 CA ALA A 67 25.991 -2.854 -8.767 1.00 0.00 C ATOM 502 C ALA A 67 26.086 -1.440 -9.343 1.00 0.00 C ATOM 503 O ALA A 67 25.107 -0.925 -9.874 1.00 0.00 O ATOM 504 CB ALA A 67 25.710 -2.804 -7.265 1.00 0.00 C ATOM 0 H ALA A 67 27.656 -3.971 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 67 25.169 -3.367 -9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.785 -2.255 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.610 -3.819 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.534 -2.302 -6.757 1.00 0.00 H new ATOM 510 N ASN A 68 27.267 -0.812 -9.244 1.00 0.00 N ATOM 511 CA ASN A 68 27.466 0.537 -9.767 1.00 0.00 C ATOM 512 C ASN A 68 27.171 0.570 -11.271 1.00 0.00 C ATOM 513 O ASN A 68 26.664 1.567 -11.779 1.00 0.00 O ATOM 514 CB ASN A 68 28.904 0.998 -9.495 1.00 0.00 C ATOM 515 CG ASN A 68 29.213 1.029 -7.999 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.308 1.123 -7.174 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.498 0.953 -7.653 1.00 0.00 N ATOM 0 H ASN A 68 28.093 -1.220 -8.807 1.00 0.00 H new ATOM 0 HA ASN A 68 26.779 1.217 -9.263 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.602 0.328 -9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.054 1.991 -9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.763 0.972 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.216 0.876 -8.373 1.00 0.00 H new ATOM 524 N TYR A 69 27.491 -0.523 -11.981 1.00 0.00 N ATOM 525 CA TYR A 69 27.267 -0.608 -13.422 1.00 0.00 C ATOM 526 C TYR A 69 25.798 -0.932 -13.720 1.00 0.00 C ATOM 527 O TYR A 69 25.328 -0.694 -14.837 1.00 0.00 O ATOM 528 CB TYR A 69 28.175 -1.689 -14.020 1.00 0.00 C ATOM 529 CG TYR A 69 29.640 -1.569 -13.632 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.232 -0.304 -13.438 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.415 -2.733 -13.476 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.589 -0.209 -13.087 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.772 -2.635 -13.128 1.00 0.00 C ATOM 534 CZ TYR A 69 32.358 -1.374 -12.932 1.00 0.00 C ATOM 535 OH TYR A 69 33.677 -1.279 -12.596 1.00 0.00 O ATOM 0 H TYR A 69 27.907 -1.360 -11.573 1.00 0.00 H new ATOM 0 HA TYR A 69 27.505 0.355 -13.873 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.809 -2.667 -13.707 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.096 -1.651 -15.106 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.642 0.592 -13.559 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.965 -3.704 -13.624 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.041 0.760 -12.936 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.365 -3.530 -13.011 1.00 0.00 H new ATOM 0 HH TYR A 69 34.063 -2.177 -12.528 1.00 0.00 H new ATOM 545 N LEU A 70 25.077 -1.476 -12.728 1.00 0.00 N ATOM 546 CA LEU A 70 23.672 -1.834 -12.882 1.00 0.00 C ATOM 547 C LEU A 70 22.826 -1.058 -11.867 1.00 0.00 C ATOM 548 O LEU A 70 22.484 -1.600 -10.817 1.00 0.00 O ATOM 549 CB LEU A 70 23.509 -3.345 -12.667 1.00 0.00 C ATOM 550 CG LEU A 70 24.130 -4.122 -13.839 1.00 0.00 C ATOM 551 CD1 LEU A 70 25.240 -5.038 -13.323 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.053 -4.969 -14.521 1.00 0.00 C ATOM 0 H LEU A 70 25.456 -1.677 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 70 23.334 -1.577 -13.886 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.987 -3.640 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.452 -3.594 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 70 24.548 -3.414 -14.555 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.677 -5.586 -14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 70 26.011 -4.438 -12.840 1.00 0.00 H new ATOM 0 HD13 LEU A 70 24.825 -5.743 -12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.495 -5.519 -15.352 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.634 -5.673 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.262 -4.319 -14.896 1.00 0.00 H new ATOM 564 N PRO A 71 22.476 0.213 -12.170 1.00 0.00 N ATOM 565 CA PRO A 71 21.666 1.025 -11.285 1.00 0.00 C ATOM 566 C PRO A 71 20.367 0.299 -10.940 1.00 0.00 C ATOM 567 O PRO A 71 19.885 -0.515 -11.728 1.00 0.00 O ATOM 568 CB PRO A 71 21.402 2.334 -12.036 1.00 0.00 C ATOM 569 CG PRO A 71 22.225 2.278 -13.329 1.00 0.00 C ATOM 570 CD PRO A 71 22.860 0.888 -13.392 1.00 0.00 C ATOM 0 HA PRO A 71 22.168 1.221 -10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.341 2.445 -12.258 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.692 3.192 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.591 2.453 -14.198 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.991 3.053 -13.333 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.510 0.339 -14.266 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.945 0.959 -13.473 1.00 0.00 H new ATOM 578 N ASN A 72 19.811 0.593 -9.753 1.00 0.00 N ATOM 579 CA ASN A 72 18.581 -0.040 -9.261 1.00 0.00 C ATOM 580 C ASN A 72 18.864 -1.471 -8.781 1.00 0.00 C ATOM 581 O ASN A 72 18.328 -1.891 -7.757 1.00 0.00 O ATOM 582 CB ASN A 72 17.475 -0.017 -10.335 1.00 0.00 C ATOM 583 CG ASN A 72 16.241 0.720 -9.828 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.245 0.096 -9.471 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.308 2.051 -9.796 1.00 0.00 N ATOM 0 H ASN A 72 20.204 1.278 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 72 18.220 0.536 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.848 0.468 -11.237 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.207 -1.037 -10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.511 2.594 -9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.157 2.526 -10.103 1.00 0.00 H new ATOM 592 N ARG A 73 19.705 -2.219 -9.509 1.00 0.00 N ATOM 593 CA ARG A 73 20.050 -3.581 -9.130 1.00 0.00 C ATOM 594 C ARG A 73 21.112 -3.533 -8.032 1.00 0.00 C ATOM 595 O ARG A 73 22.304 -3.430 -8.320 1.00 0.00 O ATOM 596 CB ARG A 73 20.579 -4.360 -10.347 1.00 0.00 C ATOM 597 CG ARG A 73 19.714 -4.117 -11.591 1.00 0.00 C ATOM 598 CD ARG A 73 18.277 -4.578 -11.348 1.00 0.00 C ATOM 599 NE ARG A 73 17.523 -4.540 -12.604 1.00 0.00 N ATOM 600 CZ ARG A 73 16.401 -5.239 -12.823 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.838 -5.955 -11.838 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.846 -5.216 -14.038 1.00 0.00 N ATOM 0 H ARG A 73 20.156 -1.895 -10.365 1.00 0.00 H new ATOM 0 HA ARG A 73 19.161 -4.092 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.607 -4.060 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.597 -5.426 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.723 -3.057 -11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.134 -4.653 -12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.274 -5.590 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.800 -3.936 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 73 17.873 -3.946 -13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.264 -5.971 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.984 -6.483 -12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.276 -4.671 -14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.992 -5.744 -14.219 1.00 0.00 H new ATOM 616 N THR A 74 20.680 -3.605 -6.770 1.00 0.00 N ATOM 617 CA THR A 74 21.598 -3.567 -5.643 1.00 0.00 C ATOM 618 C THR A 74 22.509 -4.796 -5.673 1.00 0.00 C ATOM 619 O THR A 74 22.228 -5.767 -6.374 1.00 0.00 O ATOM 620 CB THR A 74 20.802 -3.506 -4.334 1.00 0.00 C ATOM 621 OG1 THR A 74 19.897 -4.586 -4.280 1.00 0.00 O ATOM 622 CG2 THR A 74 20.025 -2.189 -4.260 1.00 0.00 C ATOM 0 H THR A 74 19.698 -3.690 -6.509 1.00 0.00 H new ATOM 0 HA THR A 74 22.224 -2.677 -5.710 1.00 0.00 H new ATOM 0 HB THR A 74 21.493 -3.566 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.190 -5.224 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.461 -2.151 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.723 -1.352 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.337 -2.125 -5.103 1.00 0.00 H new ATOM 630 N ASP A 75 23.600 -4.744 -4.906 1.00 0.00 N ATOM 631 CA ASP A 75 24.568 -5.830 -4.838 1.00 0.00 C ATOM 632 C ASP A 75 23.874 -7.156 -4.505 1.00 0.00 C ATOM 633 O ASP A 75 24.178 -8.181 -5.111 1.00 0.00 O ATOM 634 CB ASP A 75 25.638 -5.488 -3.789 1.00 0.00 C ATOM 635 CG ASP A 75 25.042 -5.377 -2.386 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.024 -4.659 -2.250 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.614 -6.013 -1.477 1.00 0.00 O ATOM 0 H ASP A 75 23.833 -3.945 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 75 25.048 -5.948 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.412 -6.256 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.120 -4.547 -4.055 1.00 0.00 H new ATOM 642 N VAL A 76 22.944 -7.131 -3.543 1.00 0.00 N ATOM 643 CA VAL A 76 22.218 -8.326 -3.132 1.00 0.00 C ATOM 644 C VAL A 76 21.426 -8.900 -4.311 1.00 0.00 C ATOM 645 O VAL A 76 21.449 -10.106 -4.544 1.00 0.00 O ATOM 646 CB VAL A 76 21.280 -7.976 -1.965 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.462 -9.210 -1.567 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.105 -7.507 -0.761 1.00 0.00 C ATOM 0 H VAL A 76 22.679 -6.287 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 76 22.927 -9.085 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 76 20.606 -7.179 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.799 -8.956 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.868 -9.543 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.136 -10.010 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.437 -7.260 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.783 -8.303 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.682 -6.625 -1.037 1.00 0.00 H new ATOM 658 N GLN A 77 20.722 -8.033 -5.048 1.00 0.00 N ATOM 659 CA GLN A 77 19.906 -8.460 -6.178 1.00 0.00 C ATOM 660 C GLN A 77 20.794 -9.009 -7.294 1.00 0.00 C ATOM 661 O GLN A 77 20.467 -10.028 -7.896 1.00 0.00 O ATOM 662 CB GLN A 77 19.064 -7.273 -6.672 1.00 0.00 C ATOM 663 CG GLN A 77 17.640 -7.368 -6.107 1.00 0.00 C ATOM 664 CD GLN A 77 17.647 -7.588 -4.594 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.309 -8.670 -4.122 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.031 -6.563 -3.836 1.00 0.00 N ATOM 0 H GLN A 77 20.705 -7.028 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 77 19.235 -9.259 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.525 -6.335 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.032 -7.268 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.094 -6.454 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.110 -8.188 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.304 -5.681 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.052 -6.659 -2.821 1.00 0.00 H new ATOM 675 N CYS A 78 21.917 -8.339 -7.566 1.00 0.00 N ATOM 676 CA CYS A 78 22.847 -8.778 -8.597 1.00 0.00 C ATOM 677 C CYS A 78 23.402 -10.155 -8.236 1.00 0.00 C ATOM 678 O CYS A 78 23.467 -11.040 -9.087 1.00 0.00 O ATOM 679 CB CYS A 78 23.973 -7.754 -8.736 1.00 0.00 C ATOM 680 SG CYS A 78 23.331 -6.299 -9.600 1.00 0.00 S ATOM 0 H CYS A 78 22.201 -7.487 -7.081 1.00 0.00 H new ATOM 0 HA CYS A 78 22.330 -8.857 -9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.352 -7.473 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.808 -8.184 -9.289 1.00 0.00 H new ATOM 0 HG CYS A 78 23.034 -5.376 -8.734 1.00 0.00 H new ATOM 686 N GLN A 79 23.794 -10.334 -6.967 1.00 0.00 N ATOM 687 CA GLN A 79 24.318 -11.605 -6.493 1.00 0.00 C ATOM 688 C GLN A 79 23.250 -12.685 -6.633 1.00 0.00 C ATOM 689 O GLN A 79 23.530 -13.773 -7.136 1.00 0.00 O ATOM 690 CB GLN A 79 24.764 -11.463 -5.036 1.00 0.00 C ATOM 691 CG GLN A 79 25.355 -12.788 -4.545 1.00 0.00 C ATOM 692 CD GLN A 79 26.103 -12.600 -3.230 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.616 -11.924 -2.328 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.289 -13.200 -3.120 1.00 0.00 N ATOM 0 H GLN A 79 23.754 -9.606 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 79 25.181 -11.895 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.505 -10.669 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.917 -11.179 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.557 -13.519 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.033 -13.189 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.655 -13.752 -3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.830 -13.107 -2.260 1.00 0.00 H new ATOM 703 N HIS A 80 22.022 -12.380 -6.192 1.00 0.00 N ATOM 704 CA HIS A 80 20.912 -13.314 -6.291 1.00 0.00 C ATOM 705 C HIS A 80 20.673 -13.674 -7.753 1.00 0.00 C ATOM 706 O HIS A 80 20.332 -14.812 -8.062 1.00 0.00 O ATOM 707 CB HIS A 80 19.655 -12.690 -5.677 1.00 0.00 C ATOM 708 CG HIS A 80 19.614 -12.822 -4.177 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.435 -12.719 -3.450 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.588 -13.058 -3.238 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.760 -12.896 -2.155 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.062 -13.108 -1.956 1.00 0.00 N ATOM 0 H HIS A 80 21.780 -11.487 -5.763 1.00 0.00 H new ATOM 0 HA HIS A 80 21.152 -14.225 -5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.610 -11.635 -5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.772 -13.166 -6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.635 -13.189 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.036 -12.869 -1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.551 -13.268 -1.075 1.00 0.00 H new ATOM 720 N ARG A 81 20.860 -12.708 -8.658 1.00 0.00 N ATOM 721 CA ARG A 81 20.681 -12.947 -10.077 1.00 0.00 C ATOM 722 C ARG A 81 21.973 -13.514 -10.679 1.00 0.00 C ATOM 723 O ARG A 81 22.331 -13.188 -11.807 1.00 0.00 O ATOM 724 CB ARG A 81 20.258 -11.640 -10.768 1.00 0.00 C ATOM 725 CG ARG A 81 19.668 -11.928 -12.162 1.00 0.00 C ATOM 726 CD ARG A 81 18.257 -12.511 -12.038 1.00 0.00 C ATOM 727 NE ARG A 81 17.654 -12.690 -13.365 1.00 0.00 N ATOM 728 CZ ARG A 81 16.538 -13.406 -13.577 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.915 -14.003 -12.551 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.043 -13.523 -14.815 1.00 0.00 N ATOM 0 H ARG A 81 21.136 -11.754 -8.423 1.00 0.00 H new ATOM 0 HA ARG A 81 19.893 -13.683 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.521 -11.121 -10.156 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.118 -10.977 -10.861 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.638 -11.009 -12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.311 -12.627 -12.698 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.298 -13.468 -11.519 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.635 -11.848 -11.436 1.00 0.00 H new ATOM 0 HE ARG A 81 18.106 -12.248 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.289 -13.914 -11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.067 -14.546 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.514 -13.068 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.195 -14.067 -14.976 1.00 0.00 H new ATOM 744 N TRP A 82 22.669 -14.382 -9.933 1.00 0.00 N ATOM 745 CA TRP A 82 23.850 -15.044 -10.449 1.00 0.00 C ATOM 746 C TRP A 82 24.184 -16.271 -9.610 1.00 0.00 C ATOM 747 O TRP A 82 24.073 -17.394 -10.098 1.00 0.00 O ATOM 748 CB TRP A 82 25.049 -14.101 -10.526 1.00 0.00 C ATOM 749 CG TRP A 82 26.161 -14.698 -11.321 1.00 0.00 C ATOM 750 CD1 TRP A 82 27.251 -15.301 -10.823 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.269 -14.838 -12.768 1.00 0.00 C ATOM 752 NE1 TRP A 82 28.025 -15.822 -11.829 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.460 -15.570 -13.065 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.472 -14.442 -13.866 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.830 -15.898 -14.372 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.845 -14.771 -15.187 1.00 0.00 C ATOM 757 CH2 TRP A 82 27.017 -15.504 -15.435 1.00 0.00 C ATOM 0 H TRP A 82 22.427 -14.634 -8.975 1.00 0.00 H new ATOM 0 HA TRP A 82 23.625 -15.364 -11.467 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.743 -13.157 -10.977 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.400 -13.874 -9.520 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.488 -15.367 -9.771 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.899 -16.327 -11.684 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.566 -13.880 -13.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.738 -16.452 -14.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.224 -14.457 -16.013 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.289 -15.762 -16.448 1.00 0.00 H new ATOM 768 N GLN A 83 24.592 -16.065 -8.350 1.00 0.00 N ATOM 769 CA GLN A 83 24.949 -17.167 -7.459 1.00 0.00 C ATOM 770 C GLN A 83 23.678 -17.815 -6.907 1.00 0.00 C ATOM 771 O GLN A 83 23.601 -18.133 -5.721 1.00 0.00 O ATOM 772 CB GLN A 83 25.829 -16.637 -6.318 1.00 0.00 C ATOM 773 CG GLN A 83 27.116 -16.032 -6.889 1.00 0.00 C ATOM 774 CD GLN A 83 28.072 -15.626 -5.771 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.293 -14.440 -5.539 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.639 -16.612 -5.077 1.00 0.00 N ATOM 0 H GLN A 83 24.682 -15.141 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 83 25.510 -17.921 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.285 -15.884 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.072 -17.446 -5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.603 -16.755 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.874 -15.162 -7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.426 -17.583 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.286 -16.395 -4.318 1.00 0.00 H new ATOM 785 N LYS A 84 22.679 -17.999 -7.776 1.00 0.00 N ATOM 786 CA LYS A 84 21.407 -18.575 -7.389 1.00 0.00 C ATOM 787 C LYS A 84 20.645 -19.094 -8.624 1.00 0.00 C ATOM 788 O LYS A 84 19.727 -19.898 -8.471 1.00 0.00 O ATOM 789 CB LYS A 84 20.587 -17.502 -6.648 1.00 0.00 C ATOM 790 CG LYS A 84 20.273 -17.956 -5.218 1.00 0.00 C ATOM 791 CD LYS A 84 19.116 -18.955 -5.225 1.00 0.00 C ATOM 792 CE LYS A 84 18.857 -19.442 -3.798 1.00 0.00 C ATOM 793 NZ LYS A 84 17.764 -20.430 -3.766 1.00 0.00 N ATOM 0 H LYS A 84 22.739 -17.750 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 84 21.574 -19.426 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 84 21.142 -16.564 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.659 -17.309 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 84 21.156 -18.414 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.015 -17.094 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.219 -18.486 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.354 -19.799 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.765 -19.886 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.604 -18.594 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.609 -20.744 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.893 -19.996 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.018 -21.248 -4.356 1.00 0.00 H new ATOM 807 N VAL A 85 21.011 -18.632 -9.847 1.00 0.00 N ATOM 808 CA VAL A 85 20.313 -19.043 -11.066 1.00 0.00 C ATOM 809 C VAL A 85 21.293 -19.232 -12.236 1.00 0.00 C ATOM 810 O VAL A 85 21.456 -20.351 -12.720 1.00 0.00 O ATOM 811 CB VAL A 85 19.224 -18.007 -11.429 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.872 -18.466 -10.876 1.00 0.00 C ATOM 813 CG2 VAL A 85 19.562 -16.627 -10.845 1.00 0.00 C ATOM 0 H VAL A 85 21.780 -17.981 -10.002 1.00 0.00 H new ATOM 0 HA VAL A 85 19.837 -20.005 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 85 19.178 -17.928 -12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.106 -17.734 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.611 -19.432 -11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.935 -18.559 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.781 -15.917 -11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 85 19.629 -16.698 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 85 20.516 -16.286 -11.246 1.00 0.00 H new ATOM 823 N LEU A 86 21.931 -18.144 -12.706 1.00 0.00 N ATOM 824 CA LEU A 86 22.837 -18.216 -13.855 1.00 0.00 C ATOM 825 C LEU A 86 23.953 -19.223 -13.587 1.00 0.00 C ATOM 826 O LEU A 86 24.542 -19.230 -12.508 1.00 0.00 O ATOM 827 CB LEU A 86 23.462 -16.840 -14.144 1.00 0.00 C ATOM 828 CG LEU A 86 22.482 -15.870 -14.843 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.940 -16.487 -16.134 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.327 -15.496 -13.913 1.00 0.00 C ATOM 0 H LEU A 86 21.833 -17.211 -12.306 1.00 0.00 H new ATOM 0 HA LEU A 86 22.256 -18.534 -14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.799 -16.396 -13.208 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.344 -16.971 -14.770 1.00 0.00 H new ATOM 0 HG LEU A 86 23.031 -14.962 -15.093 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.252 -15.788 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.767 -16.700 -16.811 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.414 -17.413 -15.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.652 -14.813 -14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.784 -16.397 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.721 -15.011 -13.020 1.00 0.00 H new