USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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 57 GLN : amide:sc= 0.0403 K(o=1.6,f=0.9) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.904 K(o=1.6,f=0.9) USER MOD Set 1.3: A 69 TYR OH : rot -169:sc= 0.693 USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.854 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 2.49 (180deg=2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.989) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 0.847 (180deg=-0.829) USER MOD Single : A 68 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 77 GLN : amide:sc= 0.031 K(o=0.031,f=-5.9!) USER MOD Single : A 78 CYS SG : rot 92:sc= 0.173 USER MOD Single : A 79 GLN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.605 K(o=-0.6,f=-2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 12.998 -9.376 -13.355 1.00 0.00 N ATOM 90 CA TRP A 43 14.246 -9.036 -14.021 1.00 0.00 C ATOM 91 C TRP A 43 14.040 -9.101 -15.532 1.00 0.00 C ATOM 92 O TRP A 43 13.418 -10.037 -16.033 1.00 0.00 O ATOM 93 CB TRP A 43 15.339 -10.009 -13.571 1.00 0.00 C ATOM 94 CG TRP A 43 16.223 -9.489 -12.479 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.904 -9.407 -11.177 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.578 -8.966 -12.577 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.939 -8.871 -10.449 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.010 -8.571 -11.271 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.491 -8.783 -13.635 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.271 -8.017 -11.036 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.763 -8.219 -13.407 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.150 -7.834 -12.111 1.00 0.00 C ATOM 0 HA TRP A 43 14.555 -8.025 -13.757 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.869 -10.932 -13.232 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.958 -10.264 -14.432 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.959 -9.721 -10.758 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.920 -8.716 -9.441 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.212 -9.079 -14.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.565 -7.733 -10.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.445 -8.082 -14.233 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.124 -7.398 -11.945 1.00 0.00 H new ATOM 113 N THR A 44 14.556 -8.099 -16.254 1.00 0.00 N ATOM 114 CA THR A 44 14.399 -8.029 -17.700 1.00 0.00 C ATOM 115 C THR A 44 15.421 -8.942 -18.381 1.00 0.00 C ATOM 116 O THR A 44 16.517 -9.152 -17.861 1.00 0.00 O ATOM 117 CB THR A 44 14.566 -6.571 -18.169 1.00 0.00 C ATOM 118 OG1 THR A 44 14.191 -5.685 -17.132 1.00 0.00 O ATOM 119 CG2 THR A 44 13.681 -6.317 -19.391 1.00 0.00 C ATOM 0 H THR A 44 15.087 -7.326 -15.853 1.00 0.00 H new ATOM 0 HA THR A 44 13.401 -8.370 -17.975 1.00 0.00 H new ATOM 0 HB THR A 44 15.610 -6.402 -18.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.922 -5.613 -16.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.802 -5.285 -19.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.972 -6.991 -20.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.638 -6.494 -19.128 1.00 0.00 H new ATOM 127 N ARG A 45 15.059 -9.481 -19.551 1.00 0.00 N ATOM 128 CA ARG A 45 15.940 -10.361 -20.302 1.00 0.00 C ATOM 129 C ARG A 45 17.227 -9.620 -20.666 1.00 0.00 C ATOM 130 O ARG A 45 18.321 -10.163 -20.515 1.00 0.00 O ATOM 131 CB ARG A 45 15.214 -10.848 -21.561 1.00 0.00 C ATOM 132 CG ARG A 45 16.076 -11.887 -22.290 1.00 0.00 C ATOM 133 CD ARG A 45 15.317 -12.433 -23.505 1.00 0.00 C ATOM 134 NE ARG A 45 14.104 -13.159 -23.098 1.00 0.00 N ATOM 135 CZ ARG A 45 14.120 -14.413 -22.606 1.00 0.00 C ATOM 136 NH1 ARG A 45 15.282 -15.061 -22.442 1.00 0.00 N ATOM 137 NH2 ARG A 45 12.969 -15.015 -22.280 1.00 0.00 N ATOM 0 H ARG A 45 14.155 -9.317 -19.994 1.00 0.00 H new ATOM 0 HA ARG A 45 16.206 -11.226 -19.694 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.252 -11.285 -21.291 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.007 -10.006 -22.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.015 -11.434 -22.610 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.330 -12.702 -21.612 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.046 -11.610 -24.166 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.967 -13.098 -24.074 1.00 0.00 H new ATOM 0 HE ARG A 45 13.204 -12.688 -23.193 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.160 -14.605 -22.690 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.288 -16.010 -22.069 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.084 -14.524 -22.404 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.978 -15.964 -21.907 1.00 0.00 H new ATOM 151 N GLU A 46 17.096 -8.376 -21.144 1.00 0.00 N ATOM 152 CA GLU A 46 18.250 -7.574 -21.516 1.00 0.00 C ATOM 153 C GLU A 46 19.110 -7.300 -20.281 1.00 0.00 C ATOM 154 O GLU A 46 20.332 -7.234 -20.378 1.00 0.00 O ATOM 155 CB GLU A 46 17.787 -6.260 -22.153 1.00 0.00 C ATOM 156 CG GLU A 46 18.909 -5.704 -23.039 1.00 0.00 C ATOM 157 CD GLU A 46 18.921 -4.182 -23.029 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.819 -3.602 -23.118 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.041 -3.629 -22.934 1.00 0.00 O ATOM 0 H GLU A 46 16.199 -7.910 -21.279 1.00 0.00 H new ATOM 0 HA GLU A 46 18.850 -8.120 -22.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.888 -6.427 -22.746 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.528 -5.538 -21.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.871 -6.079 -22.689 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.779 -6.062 -24.060 1.00 0.00 H new ATOM 166 N GLU A 47 18.466 -7.145 -19.117 1.00 0.00 N ATOM 167 CA GLU A 47 19.172 -6.894 -17.871 1.00 0.00 C ATOM 168 C GLU A 47 20.132 -8.054 -17.610 1.00 0.00 C ATOM 169 O GLU A 47 21.302 -7.838 -17.305 1.00 0.00 O ATOM 170 CB GLU A 47 18.159 -6.761 -16.726 1.00 0.00 C ATOM 171 CG GLU A 47 18.244 -5.370 -16.099 1.00 0.00 C ATOM 172 CD GLU A 47 17.138 -5.165 -15.065 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.127 -5.910 -15.138 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.317 -4.269 -14.218 1.00 0.00 O ATOM 0 H GLU A 47 17.452 -7.191 -19.021 1.00 0.00 H new ATOM 0 HA GLU A 47 19.740 -5.966 -17.937 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.151 -6.937 -17.101 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.354 -7.521 -15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.217 -5.240 -15.626 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.164 -4.611 -16.877 1.00 0.00 H new ATOM 181 N ASP A 48 19.626 -9.291 -17.741 1.00 0.00 N ATOM 182 CA ASP A 48 20.436 -10.485 -17.547 1.00 0.00 C ATOM 183 C ASP A 48 21.542 -10.533 -18.597 1.00 0.00 C ATOM 184 O ASP A 48 22.683 -10.864 -18.280 1.00 0.00 O ATOM 185 CB ASP A 48 19.552 -11.731 -17.644 1.00 0.00 C ATOM 186 CG ASP A 48 18.548 -11.785 -16.502 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.987 -11.605 -15.347 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.356 -12.010 -16.801 1.00 0.00 O ATOM 0 H ASP A 48 18.653 -9.481 -17.982 1.00 0.00 H new ATOM 0 HA ASP A 48 20.893 -10.457 -16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.023 -11.731 -18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.176 -12.625 -17.626 1.00 0.00 H new ATOM 193 N GLU A 49 21.201 -10.196 -19.850 1.00 0.00 N ATOM 194 CA GLU A 49 22.168 -10.178 -20.940 1.00 0.00 C ATOM 195 C GLU A 49 23.319 -9.230 -20.586 1.00 0.00 C ATOM 196 O GLU A 49 24.476 -9.511 -20.893 1.00 0.00 O ATOM 197 CB GLU A 49 21.461 -9.742 -22.232 1.00 0.00 C ATOM 198 CG GLU A 49 22.373 -9.973 -23.450 1.00 0.00 C ATOM 199 CD GLU A 49 23.053 -8.681 -23.901 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.330 -7.670 -24.040 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.285 -8.728 -24.104 1.00 0.00 O ATOM 0 H GLU A 49 20.255 -9.932 -20.127 1.00 0.00 H new ATOM 0 HA GLU A 49 22.585 -11.173 -21.094 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.534 -10.302 -22.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.190 -8.688 -22.168 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.131 -10.715 -23.201 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.785 -10.381 -24.272 1.00 0.00 H new ATOM 208 N LYS A 50 22.994 -8.111 -19.928 1.00 0.00 N ATOM 209 CA LYS A 50 23.990 -7.136 -19.511 1.00 0.00 C ATOM 210 C LYS A 50 24.761 -7.666 -18.299 1.00 0.00 C ATOM 211 O LYS A 50 25.964 -7.450 -18.186 1.00 0.00 O ATOM 212 CB LYS A 50 23.290 -5.808 -19.158 1.00 0.00 C ATOM 213 CG LYS A 50 23.939 -4.633 -19.910 1.00 0.00 C ATOM 214 CD LYS A 50 23.101 -4.262 -21.144 1.00 0.00 C ATOM 215 CE LYS A 50 23.028 -5.445 -22.114 1.00 0.00 C ATOM 216 NZ LYS A 50 22.322 -5.075 -23.352 1.00 0.00 N ATOM 0 H LYS A 50 22.038 -7.863 -19.674 1.00 0.00 H new ATOM 0 HA LYS A 50 24.694 -6.964 -20.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.232 -5.870 -19.414 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.349 -5.635 -18.083 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.025 -3.771 -19.248 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.950 -4.902 -20.216 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.096 -3.973 -20.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.541 -3.399 -21.645 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.036 -5.784 -22.354 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.516 -6.280 -21.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.989 -5.935 -23.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.508 -4.471 -23.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.970 -4.557 -23.980 1.00 0.00 H new ATOM 230 N LEU A 51 24.059 -8.348 -17.390 1.00 0.00 N ATOM 231 CA LEU A 51 24.658 -8.856 -16.167 1.00 0.00 C ATOM 232 C LEU A 51 25.728 -9.910 -16.469 1.00 0.00 C ATOM 233 O LEU A 51 26.860 -9.767 -16.025 1.00 0.00 O ATOM 234 CB LEU A 51 23.552 -9.435 -15.269 1.00 0.00 C ATOM 235 CG LEU A 51 24.130 -9.894 -13.918 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.712 -8.699 -13.156 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.018 -10.526 -13.079 1.00 0.00 C ATOM 0 H LEU A 51 23.066 -8.559 -17.486 1.00 0.00 H new ATOM 0 HA LEU A 51 25.154 -8.037 -15.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.781 -8.683 -15.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.074 -10.277 -15.770 1.00 0.00 H new ATOM 0 HG LEU A 51 24.921 -10.622 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.117 -9.038 -12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.507 -8.243 -13.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.927 -7.965 -12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.425 -10.852 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.230 -9.793 -12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.606 -11.385 -13.609 1.00 0.00 H new ATOM 249 N LYS A 52 25.370 -10.974 -17.205 1.00 0.00 N ATOM 250 CA LYS A 52 26.298 -12.075 -17.482 1.00 0.00 C ATOM 251 C LYS A 52 27.677 -11.586 -17.957 1.00 0.00 C ATOM 252 O LYS A 52 28.694 -12.071 -17.462 1.00 0.00 O ATOM 253 CB LYS A 52 25.679 -13.062 -18.491 1.00 0.00 C ATOM 254 CG LYS A 52 25.353 -12.381 -19.821 1.00 0.00 C ATOM 255 CD LYS A 52 24.696 -13.395 -20.764 1.00 0.00 C ATOM 256 CE LYS A 52 25.771 -14.252 -21.441 1.00 0.00 C ATOM 257 NZ LYS A 52 25.170 -15.180 -22.415 1.00 0.00 N ATOM 0 H LYS A 52 24.445 -11.093 -17.617 1.00 0.00 H new ATOM 0 HA LYS A 52 26.466 -12.596 -16.540 1.00 0.00 H new ATOM 0 HB2 LYS A 52 26.370 -13.887 -18.664 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.770 -13.491 -18.069 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.685 -11.536 -19.655 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.263 -11.985 -20.272 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.009 -14.032 -20.206 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.106 -12.874 -21.518 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.492 -13.607 -21.944 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.320 -14.816 -20.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.918 -15.749 -22.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.500 -15.809 -21.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.667 -14.638 -23.146 1.00 0.00 H new ATOM 271 N LYS A 53 27.732 -10.646 -18.911 1.00 0.00 N ATOM 272 CA LYS A 53 29.015 -10.188 -19.440 1.00 0.00 C ATOM 273 C LYS A 53 29.776 -9.369 -18.392 1.00 0.00 C ATOM 274 O LYS A 53 31.001 -9.427 -18.343 1.00 0.00 O ATOM 275 CB LYS A 53 28.817 -9.404 -20.747 1.00 0.00 C ATOM 276 CG LYS A 53 28.000 -8.130 -20.515 1.00 0.00 C ATOM 277 CD LYS A 53 27.830 -7.379 -21.841 1.00 0.00 C ATOM 278 CE LYS A 53 26.679 -7.996 -22.640 1.00 0.00 C ATOM 279 NZ LYS A 53 26.603 -7.437 -23.998 1.00 0.00 N ATOM 0 H LYS A 53 26.915 -10.197 -19.324 1.00 0.00 H new ATOM 0 HA LYS A 53 29.624 -11.061 -19.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.788 -9.144 -21.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.311 -10.034 -21.478 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.024 -8.382 -20.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.501 -7.493 -19.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.629 -6.325 -21.650 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.753 -7.427 -22.418 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.813 -9.076 -22.697 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.738 -7.819 -22.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.677 -7.661 -24.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.723 -6.405 -23.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.355 -7.849 -24.586 1.00 0.00 H new ATOM 293 N LEU A 54 29.060 -8.614 -17.549 1.00 0.00 N ATOM 294 CA LEU A 54 29.700 -7.823 -16.505 1.00 0.00 C ATOM 295 C LEU A 54 30.267 -8.758 -15.436 1.00 0.00 C ATOM 296 O LEU A 54 31.371 -8.534 -14.939 1.00 0.00 O ATOM 297 CB LEU A 54 28.689 -6.846 -15.893 1.00 0.00 C ATOM 298 CG LEU A 54 28.343 -5.733 -16.896 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.158 -4.925 -16.363 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.547 -4.803 -17.092 1.00 0.00 C ATOM 0 H LEU A 54 28.043 -8.538 -17.574 1.00 0.00 H new ATOM 0 HA LEU A 54 30.517 -7.243 -16.934 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.783 -7.381 -15.608 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.101 -6.409 -14.983 1.00 0.00 H new ATOM 0 HG LEU A 54 28.085 -6.184 -17.854 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.909 -4.134 -17.071 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.298 -5.582 -16.235 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.422 -4.482 -15.403 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.289 -4.019 -17.804 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.817 -4.351 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.392 -5.377 -17.474 1.00 0.00 H new ATOM 312 N VAL A 55 29.510 -9.810 -15.093 1.00 0.00 N ATOM 313 CA VAL A 55 29.936 -10.792 -14.107 1.00 0.00 C ATOM 314 C VAL A 55 31.182 -11.513 -14.614 1.00 0.00 C ATOM 315 O VAL A 55 32.112 -11.741 -13.854 1.00 0.00 O ATOM 316 CB VAL A 55 28.789 -11.785 -13.848 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.303 -12.988 -13.049 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.683 -11.093 -13.051 1.00 0.00 C ATOM 0 H VAL A 55 28.591 -9.996 -15.494 1.00 0.00 H new ATOM 0 HA VAL A 55 30.183 -10.298 -13.168 1.00 0.00 H new ATOM 0 HB VAL A 55 28.398 -12.128 -14.806 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.483 -13.684 -12.871 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.090 -13.490 -13.613 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.702 -12.647 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.871 -11.797 -12.868 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.084 -10.746 -12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.304 -10.242 -13.617 1.00 0.00 H new ATOM 328 N GLU A 56 31.196 -11.871 -15.900 1.00 0.00 N ATOM 329 CA GLU A 56 32.330 -12.557 -16.499 1.00 0.00 C ATOM 330 C GLU A 56 33.547 -11.625 -16.535 1.00 0.00 C ATOM 331 O GLU A 56 34.651 -12.026 -16.172 1.00 0.00 O ATOM 332 CB GLU A 56 31.943 -13.008 -17.913 1.00 0.00 C ATOM 333 CG GLU A 56 33.049 -13.882 -18.509 1.00 0.00 C ATOM 334 CD GLU A 56 32.658 -14.368 -19.898 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.851 -13.581 -20.850 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.172 -15.517 -19.983 1.00 0.00 O ATOM 0 H GLU A 56 30.427 -11.693 -16.546 1.00 0.00 H new ATOM 0 HA GLU A 56 32.595 -13.432 -15.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.006 -13.565 -17.882 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.775 -12.138 -18.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.978 -13.315 -18.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.235 -14.736 -17.858 1.00 0.00 H new ATOM 343 N GLN A 57 33.333 -10.383 -16.982 1.00 0.00 N ATOM 344 CA GLN A 57 34.394 -9.394 -17.111 1.00 0.00 C ATOM 345 C GLN A 57 35.049 -9.097 -15.759 1.00 0.00 C ATOM 346 O GLN A 57 36.256 -9.267 -15.603 1.00 0.00 O ATOM 347 CB GLN A 57 33.790 -8.115 -17.710 1.00 0.00 C ATOM 348 CG GLN A 57 34.842 -7.004 -17.784 1.00 0.00 C ATOM 349 CD GLN A 57 34.216 -5.709 -18.289 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.680 -4.930 -17.504 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.280 -5.481 -19.601 1.00 0.00 N ATOM 0 H GLN A 57 32.415 -10.040 -17.264 1.00 0.00 H new ATOM 0 HA GLN A 57 35.174 -9.784 -17.765 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.402 -8.322 -18.707 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.947 -7.785 -17.102 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.280 -6.843 -16.799 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.652 -7.306 -18.447 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.735 -6.157 -20.214 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.874 -4.631 -19.991 1.00 0.00 H new ATOM 360 N ASN A 58 34.254 -8.627 -14.794 1.00 0.00 N ATOM 361 CA ASN A 58 34.767 -8.212 -13.492 1.00 0.00 C ATOM 362 C ASN A 58 34.973 -9.408 -12.563 1.00 0.00 C ATOM 363 O ASN A 58 35.730 -9.312 -11.600 1.00 0.00 O ATOM 364 CB ASN A 58 33.788 -7.210 -12.867 1.00 0.00 C ATOM 365 CG ASN A 58 33.669 -5.952 -13.725 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.266 -4.923 -13.412 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.896 -6.034 -14.811 1.00 0.00 N ATOM 0 H ASN A 58 33.244 -8.525 -14.895 1.00 0.00 H new ATOM 0 HA ASN A 58 35.740 -7.741 -13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.808 -7.674 -12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.127 -6.941 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.783 -5.223 -15.419 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.419 -6.908 -15.033 1.00 0.00 H new ATOM 374 N GLY A 59 34.299 -10.527 -12.840 1.00 0.00 N ATOM 375 CA GLY A 59 34.395 -11.711 -12.002 1.00 0.00 C ATOM 376 C GLY A 59 33.413 -11.594 -10.839 1.00 0.00 C ATOM 377 O GLY A 59 32.824 -10.533 -10.622 1.00 0.00 O ATOM 0 H GLY A 59 33.680 -10.632 -13.644 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.176 -12.603 -12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.411 -11.820 -11.624 1.00 0.00 H new ATOM 381 N THR A 60 33.235 -12.685 -10.086 1.00 0.00 N ATOM 382 CA THR A 60 32.324 -12.700 -8.948 1.00 0.00 C ATOM 383 C THR A 60 33.024 -12.117 -7.715 1.00 0.00 C ATOM 384 O THR A 60 33.049 -12.746 -6.658 1.00 0.00 O ATOM 385 CB THR A 60 31.863 -14.141 -8.692 1.00 0.00 C ATOM 386 OG1 THR A 60 32.991 -14.983 -8.571 1.00 0.00 O ATOM 387 CG2 THR A 60 30.993 -14.621 -9.856 1.00 0.00 C ATOM 0 H THR A 60 33.715 -13.570 -10.249 1.00 0.00 H new ATOM 0 HA THR A 60 31.449 -12.086 -9.161 1.00 0.00 H new ATOM 0 HB THR A 60 31.282 -14.173 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 60 32.696 -15.903 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.668 -15.645 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.120 -13.975 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.570 -14.586 -10.780 1.00 0.00 H new ATOM 395 N ASP A 61 33.589 -10.911 -7.863 1.00 0.00 N ATOM 396 CA ASP A 61 34.276 -10.228 -6.777 1.00 0.00 C ATOM 397 C ASP A 61 33.266 -9.346 -6.027 1.00 0.00 C ATOM 398 O ASP A 61 32.151 -9.790 -5.747 1.00 0.00 O ATOM 399 CB ASP A 61 35.436 -9.412 -7.371 1.00 0.00 C ATOM 400 CG ASP A 61 36.437 -9.009 -6.294 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.208 -9.898 -5.874 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.410 -7.819 -5.914 1.00 0.00 O ATOM 0 H ASP A 61 33.579 -10.389 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 61 34.693 -10.935 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.941 -9.999 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.044 -8.519 -7.858 1.00 0.00 H new ATOM 407 N ASP A 62 33.645 -8.099 -5.709 1.00 0.00 N ATOM 408 CA ASP A 62 32.754 -7.168 -5.033 1.00 0.00 C ATOM 409 C ASP A 62 31.562 -6.869 -5.940 1.00 0.00 C ATOM 410 O ASP A 62 31.697 -6.157 -6.935 1.00 0.00 O ATOM 411 CB ASP A 62 33.519 -5.873 -4.690 1.00 0.00 C ATOM 412 CG ASP A 62 33.521 -5.595 -3.190 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.772 -6.552 -2.428 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.272 -4.419 -2.834 1.00 0.00 O ATOM 0 H ASP A 62 34.569 -7.719 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 62 32.390 -7.607 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.546 -5.953 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.064 -5.033 -5.215 1.00 0.00 H new ATOM 419 N TRP A 63 30.391 -7.415 -5.594 1.00 0.00 N ATOM 420 CA TRP A 63 29.178 -7.212 -6.375 1.00 0.00 C ATOM 421 C TRP A 63 28.829 -5.723 -6.452 1.00 0.00 C ATOM 422 O TRP A 63 28.111 -5.302 -7.355 1.00 0.00 O ATOM 423 CB TRP A 63 28.042 -8.023 -5.754 1.00 0.00 C ATOM 424 CG TRP A 63 28.075 -9.474 -6.113 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.541 -10.470 -5.339 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.642 -10.115 -7.348 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.434 -11.681 -5.981 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.881 -11.522 -7.238 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.071 -9.655 -8.556 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.570 -12.416 -8.266 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.750 -10.554 -9.593 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.002 -11.930 -9.449 1.00 0.00 C ATOM 0 H TRP A 63 30.263 -8.004 -4.771 1.00 0.00 H new ATOM 0 HA TRP A 63 29.337 -7.558 -7.396 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.088 -7.925 -4.669 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.089 -7.600 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.945 -10.337 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.723 -12.575 -5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.878 -8.600 -8.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.766 -13.472 -8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.307 -10.183 -10.505 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.757 -12.611 -10.251 1.00 0.00 H new ATOM 443 N LYS A 64 29.355 -4.929 -5.514 1.00 0.00 N ATOM 444 CA LYS A 64 29.154 -3.490 -5.507 1.00 0.00 C ATOM 445 C LYS A 64 29.641 -2.893 -6.835 1.00 0.00 C ATOM 446 O LYS A 64 29.029 -1.963 -7.358 1.00 0.00 O ATOM 447 CB LYS A 64 29.918 -2.908 -4.311 1.00 0.00 C ATOM 448 CG LYS A 64 30.116 -1.395 -4.474 1.00 0.00 C ATOM 449 CD LYS A 64 30.540 -0.764 -3.135 1.00 0.00 C ATOM 450 CE LYS A 64 31.623 -1.610 -2.443 1.00 0.00 C ATOM 451 NZ LYS A 64 32.779 -1.853 -3.328 1.00 0.00 N ATOM 0 H LYS A 64 29.929 -5.271 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 64 28.097 -3.244 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.370 -3.110 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.887 -3.398 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.875 -1.200 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.191 -0.936 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.917 0.244 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.672 -0.673 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.958 -1.102 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 64 31.196 -2.564 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.838 -2.867 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.662 -1.311 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.652 -1.552 -2.849 1.00 0.00 H new ATOM 465 N VAL A 65 30.740 -3.434 -7.380 1.00 0.00 N ATOM 466 CA VAL A 65 31.295 -2.960 -8.643 1.00 0.00 C ATOM 467 C VAL A 65 30.273 -3.168 -9.762 1.00 0.00 C ATOM 468 O VAL A 65 30.075 -2.288 -10.597 1.00 0.00 O ATOM 469 CB VAL A 65 32.598 -3.718 -8.945 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.134 -3.309 -10.319 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.646 -3.392 -7.879 1.00 0.00 C ATOM 0 H VAL A 65 31.260 -4.204 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 65 31.519 -1.896 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 65 32.392 -4.788 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.057 -3.850 -10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.395 -3.548 -11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.332 -2.237 -10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.567 -3.932 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.844 -2.320 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.274 -3.692 -6.899 1.00 0.00 H new ATOM 481 N ILE A 66 29.626 -4.335 -9.773 1.00 0.00 N ATOM 482 CA ILE A 66 28.633 -4.658 -10.784 1.00 0.00 C ATOM 483 C ILE A 66 27.396 -3.776 -10.588 1.00 0.00 C ATOM 484 O ILE A 66 26.825 -3.283 -11.561 1.00 0.00 O ATOM 485 CB ILE A 66 28.290 -6.154 -10.699 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.537 -6.974 -11.080 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.143 -6.480 -11.665 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.408 -8.410 -10.576 1.00 0.00 C ATOM 0 H ILE A 66 29.778 -5.073 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 66 29.027 -4.459 -11.781 1.00 0.00 H new ATOM 0 HB ILE A 66 27.979 -6.403 -9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.664 -6.972 -12.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.428 -6.512 -10.654 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.904 -7.542 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.264 -5.893 -11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.445 -6.237 -12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.298 -8.975 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.305 -8.407 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.529 -8.875 -11.023 1.00 0.00 H new ATOM 500 N ALA A 67 26.991 -3.572 -9.329 1.00 0.00 N ATOM 501 CA ALA A 67 25.838 -2.742 -9.009 1.00 0.00 C ATOM 502 C ALA A 67 26.046 -1.319 -9.534 1.00 0.00 C ATOM 503 O ALA A 67 25.098 -0.681 -9.983 1.00 0.00 O ATOM 504 CB ALA A 67 25.624 -2.733 -7.496 1.00 0.00 C ATOM 0 H ALA A 67 27.453 -3.976 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 67 24.951 -3.154 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.761 -2.112 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.448 -3.751 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.510 -2.330 -7.006 1.00 0.00 H new ATOM 510 N ASN A 68 27.290 -0.820 -9.482 1.00 0.00 N ATOM 511 CA ASN A 68 27.602 0.522 -9.965 1.00 0.00 C ATOM 512 C ASN A 68 27.287 0.634 -11.461 1.00 0.00 C ATOM 513 O ASN A 68 26.912 1.707 -11.930 1.00 0.00 O ATOM 514 CB ASN A 68 29.078 0.845 -9.698 1.00 0.00 C ATOM 515 CG ASN A 68 29.245 1.597 -8.381 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.443 2.808 -8.377 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.166 0.878 -7.262 1.00 0.00 N ATOM 0 H ASN A 68 28.091 -1.329 -9.110 1.00 0.00 H new ATOM 0 HA ASN A 68 26.985 1.244 -9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.656 -0.078 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.476 1.445 -10.516 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.271 1.333 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.000 -0.127 -7.312 1.00 0.00 H new ATOM 524 N TYR A 69 27.435 -0.469 -12.211 1.00 0.00 N ATOM 525 CA TYR A 69 27.159 -0.469 -13.643 1.00 0.00 C ATOM 526 C TYR A 69 25.655 -0.574 -13.891 1.00 0.00 C ATOM 527 O TYR A 69 25.158 -0.048 -14.885 1.00 0.00 O ATOM 528 CB TYR A 69 27.873 -1.645 -14.318 1.00 0.00 C ATOM 529 CG TYR A 69 29.353 -1.755 -14.007 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.160 -0.603 -13.915 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.926 -3.024 -13.827 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.534 -0.729 -13.642 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.294 -3.148 -13.554 1.00 0.00 C ATOM 534 CZ TYR A 69 32.100 -2.003 -13.462 1.00 0.00 C ATOM 535 OH TYR A 69 33.435 -2.128 -13.204 1.00 0.00 O ATOM 0 H TYR A 69 27.745 -1.369 -11.843 1.00 0.00 H new ATOM 0 HA TYR A 69 27.527 0.465 -14.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.383 -2.571 -14.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.749 -1.556 -15.397 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.724 0.375 -14.054 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.310 -3.908 -13.899 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.154 0.153 -13.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.729 -4.126 -13.414 1.00 0.00 H new ATOM 0 HH TYR A 69 33.697 -3.069 -13.284 1.00 0.00 H new ATOM 545 N LEU A 70 24.935 -1.264 -12.990 1.00 0.00 N ATOM 546 CA LEU A 70 23.495 -1.460 -13.120 1.00 0.00 C ATOM 547 C LEU A 70 22.768 -0.771 -11.958 1.00 0.00 C ATOM 548 O LEU A 70 22.530 -1.403 -10.929 1.00 0.00 O ATOM 549 CB LEU A 70 23.192 -2.967 -13.116 1.00 0.00 C ATOM 550 CG LEU A 70 23.756 -3.636 -14.381 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.780 -5.153 -14.180 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.877 -3.301 -15.592 1.00 0.00 C ATOM 0 H LEU A 70 25.339 -1.696 -12.159 1.00 0.00 H new ATOM 0 HA LEU A 70 23.147 -1.023 -14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.627 -3.428 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.115 -3.127 -13.063 1.00 0.00 H new ATOM 0 HG LEU A 70 24.766 -3.267 -14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.179 -5.632 -15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.411 -5.397 -13.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.767 -5.512 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.286 -3.780 -16.482 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.864 -3.664 -15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.856 -2.221 -15.738 1.00 0.00 H new ATOM 564 N PRO A 71 22.403 0.524 -12.112 1.00 0.00 N ATOM 565 CA PRO A 71 21.701 1.261 -11.080 1.00 0.00 C ATOM 566 C PRO A 71 20.411 0.540 -10.690 1.00 0.00 C ATOM 567 O PRO A 71 19.909 -0.284 -11.451 1.00 0.00 O ATOM 568 CB PRO A 71 21.417 2.646 -11.667 1.00 0.00 C ATOM 569 CG PRO A 71 22.077 2.689 -13.050 1.00 0.00 C ATOM 570 CD PRO A 71 22.666 1.302 -13.305 1.00 0.00 C ATOM 0 HA PRO A 71 22.293 1.343 -10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.344 2.819 -11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.819 3.428 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.347 2.946 -13.818 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.856 3.451 -13.083 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.208 0.840 -14.180 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.736 1.364 -13.501 1.00 0.00 H new ATOM 578 N ASN A 72 19.889 0.857 -9.492 1.00 0.00 N ATOM 579 CA ASN A 72 18.670 0.244 -8.947 1.00 0.00 C ATOM 580 C ASN A 72 18.976 -1.165 -8.430 1.00 0.00 C ATOM 581 O ASN A 72 18.566 -1.517 -7.327 1.00 0.00 O ATOM 582 CB ASN A 72 17.536 0.213 -9.988 1.00 0.00 C ATOM 583 CG ASN A 72 17.372 1.566 -10.674 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.583 1.686 -11.877 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.991 2.587 -9.904 1.00 0.00 N ATOM 0 H ASN A 72 20.306 1.551 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 72 18.326 0.858 -8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.747 -0.552 -10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.601 -0.066 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.864 3.513 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.827 2.441 -8.908 1.00 0.00 H new ATOM 592 N ARG A 73 19.700 -1.967 -9.223 1.00 0.00 N ATOM 593 CA ARG A 73 20.060 -3.319 -8.834 1.00 0.00 C ATOM 594 C ARG A 73 21.248 -3.263 -7.878 1.00 0.00 C ATOM 595 O ARG A 73 22.397 -3.244 -8.314 1.00 0.00 O ATOM 596 CB ARG A 73 20.417 -4.142 -10.082 1.00 0.00 C ATOM 597 CG ARG A 73 19.288 -4.082 -11.118 1.00 0.00 C ATOM 598 CD ARG A 73 17.995 -4.654 -10.534 1.00 0.00 C ATOM 599 NE ARG A 73 17.048 -4.960 -11.610 1.00 0.00 N ATOM 600 CZ ARG A 73 15.911 -5.641 -11.423 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.518 -5.978 -10.189 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.166 -5.987 -12.476 1.00 0.00 N ATOM 0 H ARG A 73 20.045 -1.691 -10.142 1.00 0.00 H new ATOM 0 HA ARG A 73 19.218 -3.796 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.340 -3.763 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.601 -5.178 -9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.128 -3.050 -11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.572 -4.644 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.213 -5.557 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.552 -3.938 -9.842 1.00 0.00 H new ATOM 0 HE ARG A 73 17.267 -4.637 -12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.086 -5.716 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.650 -6.497 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.464 -5.732 -13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.299 -6.506 -12.339 1.00 0.00 H new ATOM 616 N THR A 74 20.970 -3.236 -6.571 1.00 0.00 N ATOM 617 CA THR A 74 22.021 -3.178 -5.564 1.00 0.00 C ATOM 618 C THR A 74 22.856 -4.468 -5.601 1.00 0.00 C ATOM 619 O THR A 74 22.513 -5.417 -6.312 1.00 0.00 O ATOM 620 CB THR A 74 21.391 -2.939 -4.182 1.00 0.00 C ATOM 621 OG1 THR A 74 22.400 -2.609 -3.252 1.00 0.00 O ATOM 622 CG2 THR A 74 20.655 -4.191 -3.704 1.00 0.00 C ATOM 0 H THR A 74 20.024 -3.254 -6.191 1.00 0.00 H new ATOM 0 HA THR A 74 22.695 -2.348 -5.774 1.00 0.00 H new ATOM 0 HB THR A 74 20.678 -2.118 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.996 -2.456 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.216 -4.003 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.866 -4.442 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.358 -5.021 -3.633 1.00 0.00 H new ATOM 630 N ASP A 75 23.957 -4.495 -4.840 1.00 0.00 N ATOM 631 CA ASP A 75 24.858 -5.642 -4.814 1.00 0.00 C ATOM 632 C ASP A 75 24.100 -6.913 -4.426 1.00 0.00 C ATOM 633 O ASP A 75 24.336 -7.965 -5.004 1.00 0.00 O ATOM 634 CB ASP A 75 26.007 -5.367 -3.837 1.00 0.00 C ATOM 635 CG ASP A 75 25.518 -5.338 -2.394 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.864 -4.336 -2.038 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.804 -6.322 -1.679 1.00 0.00 O ATOM 0 H ASP A 75 24.242 -3.727 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 75 25.273 -5.796 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.772 -6.136 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.475 -4.414 -4.083 1.00 0.00 H new ATOM 642 N VAL A 76 23.189 -6.811 -3.452 1.00 0.00 N ATOM 643 CA VAL A 76 22.403 -7.954 -3.002 1.00 0.00 C ATOM 644 C VAL A 76 21.557 -8.499 -4.157 1.00 0.00 C ATOM 645 O VAL A 76 21.478 -9.711 -4.347 1.00 0.00 O ATOM 646 CB VAL A 76 21.514 -7.533 -1.820 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.708 -8.739 -1.324 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.386 -7.004 -0.676 1.00 0.00 C ATOM 0 H VAL A 76 22.981 -5.942 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 76 23.072 -8.748 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 76 20.833 -6.749 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.079 -8.437 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.080 -9.114 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.391 -9.525 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.751 -6.707 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.072 -7.786 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.957 -6.142 -1.022 1.00 0.00 H new ATOM 658 N GLN A 77 20.922 -7.604 -4.929 1.00 0.00 N ATOM 659 CA GLN A 77 20.084 -8.008 -6.052 1.00 0.00 C ATOM 660 C GLN A 77 20.935 -8.697 -7.115 1.00 0.00 C ATOM 661 O GLN A 77 20.588 -9.781 -7.574 1.00 0.00 O ATOM 662 CB GLN A 77 19.379 -6.782 -6.643 1.00 0.00 C ATOM 663 CG GLN A 77 18.160 -6.424 -5.791 1.00 0.00 C ATOM 664 CD GLN A 77 17.550 -5.103 -6.247 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.106 -4.041 -5.987 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.406 -5.168 -6.930 1.00 0.00 N ATOM 0 H GLN A 77 20.978 -6.595 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 77 19.328 -8.711 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.068 -5.938 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.070 -6.988 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.416 -7.217 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.451 -6.353 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.978 -6.074 -7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.959 -4.312 -7.259 1.00 0.00 H new ATOM 675 N CYS A 78 22.046 -8.065 -7.507 1.00 0.00 N ATOM 676 CA CYS A 78 22.933 -8.620 -8.524 1.00 0.00 C ATOM 677 C CYS A 78 23.481 -9.969 -8.055 1.00 0.00 C ATOM 678 O CYS A 78 23.557 -10.916 -8.836 1.00 0.00 O ATOM 679 CB CYS A 78 24.080 -7.642 -8.800 1.00 0.00 C ATOM 680 SG CYS A 78 23.412 -6.131 -9.540 1.00 0.00 S ATOM 0 H CYS A 78 22.350 -7.166 -7.132 1.00 0.00 H new ATOM 0 HA CYS A 78 22.374 -8.773 -9.447 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.603 -7.406 -7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.809 -8.098 -9.470 1.00 0.00 H new ATOM 0 HG CYS A 78 23.141 -5.272 -8.603 1.00 0.00 H new ATOM 686 N GLN A 79 23.861 -10.047 -6.775 1.00 0.00 N ATOM 687 CA GLN A 79 24.401 -11.262 -6.194 1.00 0.00 C ATOM 688 C GLN A 79 23.371 -12.380 -6.278 1.00 0.00 C ATOM 689 O GLN A 79 23.648 -13.426 -6.848 1.00 0.00 O ATOM 690 CB GLN A 79 24.801 -10.990 -4.738 1.00 0.00 C ATOM 691 CG GLN A 79 25.433 -12.243 -4.124 1.00 0.00 C ATOM 692 CD GLN A 79 25.824 -12.008 -2.668 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.443 -12.777 -1.791 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.586 -10.944 -2.411 1.00 0.00 N ATOM 0 H GLN A 79 23.800 -9.267 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 79 25.286 -11.577 -6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.506 -10.159 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.925 -10.695 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.731 -13.075 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.315 -12.527 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.880 -10.331 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.875 -10.743 -1.454 1.00 0.00 H new ATOM 703 N HIS A 80 22.184 -12.155 -5.707 1.00 0.00 N ATOM 704 CA HIS A 80 21.124 -13.152 -5.708 1.00 0.00 C ATOM 705 C HIS A 80 20.775 -13.564 -7.130 1.00 0.00 C ATOM 706 O HIS A 80 20.610 -14.747 -7.403 1.00 0.00 O ATOM 707 CB HIS A 80 19.883 -12.581 -5.018 1.00 0.00 C ATOM 708 CG HIS A 80 19.983 -12.589 -3.519 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.173 -11.799 -2.717 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.774 -13.289 -2.641 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.514 -12.062 -1.442 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.487 -12.966 -1.325 1.00 0.00 N ATOM 0 H HIS A 80 21.938 -11.284 -5.237 1.00 0.00 H new ATOM 0 HA HIS A 80 21.473 -14.032 -5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.724 -11.558 -5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.009 -13.158 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.527 -14.003 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.044 -11.586 -0.594 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.915 -13.331 -0.474 1.00 0.00 H new ATOM 720 N ARG A 81 20.647 -12.590 -8.034 1.00 0.00 N ATOM 721 CA ARG A 81 20.258 -12.868 -9.404 1.00 0.00 C ATOM 722 C ARG A 81 21.120 -13.984 -9.995 1.00 0.00 C ATOM 723 O ARG A 81 20.602 -14.837 -10.711 1.00 0.00 O ATOM 724 CB ARG A 81 20.356 -11.587 -10.246 1.00 0.00 C ATOM 725 CG ARG A 81 19.865 -11.847 -11.683 1.00 0.00 C ATOM 726 CD ARG A 81 18.435 -12.405 -11.664 1.00 0.00 C ATOM 727 NE ARG A 81 17.848 -12.415 -13.008 1.00 0.00 N ATOM 728 CZ ARG A 81 16.646 -12.957 -13.275 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.903 -13.465 -12.282 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.188 -12.989 -14.531 1.00 0.00 N ATOM 0 H ARG A 81 20.809 -11.603 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 81 19.223 -13.210 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.759 -10.798 -9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.388 -11.236 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.894 -10.921 -12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.531 -12.552 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.443 -13.418 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.816 -11.802 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 81 18.374 -11.993 -13.773 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.249 -13.441 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.992 -13.876 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.750 -12.602 -15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.276 -13.400 -14.731 1.00 0.00 H new ATOM 744 N TRP A 82 22.429 -13.991 -9.705 1.00 0.00 N ATOM 745 CA TRP A 82 23.306 -15.012 -10.251 1.00 0.00 C ATOM 746 C TRP A 82 23.463 -16.192 -9.296 1.00 0.00 C ATOM 747 O TRP A 82 23.290 -17.336 -9.704 1.00 0.00 O ATOM 748 CB TRP A 82 24.664 -14.423 -10.610 1.00 0.00 C ATOM 749 CG TRP A 82 25.324 -15.197 -11.695 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.080 -16.290 -11.527 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.224 -15.012 -13.134 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.451 -16.817 -12.737 1.00 0.00 N ATOM 753 CE2 TRP A 82 25.950 -16.062 -13.775 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.576 -14.078 -13.973 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.027 -16.182 -15.161 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.647 -14.199 -15.375 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.368 -15.256 -15.964 1.00 0.00 C ATOM 0 H TRP A 82 22.890 -13.308 -9.104 1.00 0.00 H new ATOM 0 HA TRP A 82 22.841 -15.388 -11.162 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.541 -13.387 -10.924 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.303 -14.415 -9.727 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.359 -16.701 -10.568 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.021 -17.655 -12.853 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.020 -13.262 -13.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 26.593 -16.986 -15.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.145 -13.477 -16.002 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.409 -15.348 -17.039 1.00 0.00 H new ATOM 768 N GLN A 83 23.791 -15.926 -8.031 1.00 0.00 N ATOM 769 CA GLN A 83 23.999 -16.984 -7.046 1.00 0.00 C ATOM 770 C GLN A 83 22.658 -17.580 -6.589 1.00 0.00 C ATOM 771 O GLN A 83 22.526 -17.993 -5.437 1.00 0.00 O ATOM 772 CB GLN A 83 24.773 -16.412 -5.848 1.00 0.00 C ATOM 773 CG GLN A 83 26.174 -15.966 -6.294 1.00 0.00 C ATOM 774 CD GLN A 83 26.924 -15.243 -5.171 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.838 -14.465 -5.439 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.545 -15.497 -3.916 1.00 0.00 N ATOM 0 H GLN A 83 23.918 -14.982 -7.665 1.00 0.00 H new ATOM 0 HA GLN A 83 24.578 -17.787 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.231 -15.567 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.854 -17.165 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.748 -16.836 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.088 -15.306 -7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.782 -16.149 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.019 -15.039 -3.138 1.00 0.00 H new ATOM 785 N LYS A 84 21.664 -17.629 -7.489 1.00 0.00 N ATOM 786 CA LYS A 84 20.363 -18.188 -7.171 1.00 0.00 C ATOM 787 C LYS A 84 19.598 -18.541 -8.454 1.00 0.00 C ATOM 788 O LYS A 84 18.879 -19.538 -8.474 1.00 0.00 O ATOM 789 CB LYS A 84 19.564 -17.190 -6.316 1.00 0.00 C ATOM 790 CG LYS A 84 18.647 -17.940 -5.344 1.00 0.00 C ATOM 791 CD LYS A 84 19.445 -18.390 -4.115 1.00 0.00 C ATOM 792 CE LYS A 84 18.514 -19.097 -3.128 1.00 0.00 C ATOM 793 NZ LYS A 84 19.252 -19.543 -1.932 1.00 0.00 N ATOM 0 H LYS A 84 21.748 -17.283 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 84 20.502 -19.107 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.247 -16.548 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.970 -16.542 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.823 -17.296 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.207 -18.805 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.249 -19.062 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.912 -17.529 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.711 -18.422 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.048 -19.955 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.598 -20.019 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.003 -20.205 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.676 -18.720 -1.459 1.00 0.00 H new ATOM 807 N VAL A 85 19.737 -17.717 -9.520 1.00 0.00 N ATOM 808 CA VAL A 85 18.995 -17.935 -10.763 1.00 0.00 C ATOM 809 C VAL A 85 19.940 -18.213 -11.948 1.00 0.00 C ATOM 810 O VAL A 85 19.994 -19.342 -12.431 1.00 0.00 O ATOM 811 CB VAL A 85 18.088 -16.718 -11.046 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.951 -17.139 -11.981 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.493 -16.181 -9.735 1.00 0.00 C ATOM 0 H VAL A 85 20.353 -16.904 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 85 18.371 -18.821 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 85 18.684 -15.934 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.309 -16.281 -12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.368 -17.508 -12.918 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.365 -17.928 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.856 -15.323 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.902 -16.962 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.299 -15.876 -9.067 1.00 0.00 H new ATOM 823 N LEU A 86 20.671 -17.190 -12.432 1.00 0.00 N ATOM 824 CA LEU A 86 21.541 -17.352 -13.603 1.00 0.00 C ATOM 825 C LEU A 86 22.698 -18.291 -13.289 1.00 0.00 C ATOM 826 O LEU A 86 23.511 -18.004 -12.416 1.00 0.00 O ATOM 827 CB LEU A 86 22.114 -15.996 -14.052 1.00 0.00 C ATOM 828 CG LEU A 86 21.179 -15.258 -15.022 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.938 -16.088 -16.290 1.00 0.00 C ATOM 830 CD2 LEU A 86 19.858 -14.956 -14.334 1.00 0.00 C ATOM 0 H LEU A 86 20.674 -16.252 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 86 20.934 -17.774 -14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.291 -15.372 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.080 -16.154 -14.532 1.00 0.00 H new ATOM 0 HG LEU A 86 21.654 -14.322 -15.315 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.273 -15.544 -16.960 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.888 -16.271 -16.791 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.481 -17.040 -16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.199 -14.433 -15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.389 -15.889 -14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.038 -14.330 -13.460 1.00 0.00 H new