USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 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= 0.821 K(o=1.5,f=-0.99!) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.724 K(o=1.5,f=-2) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.814 X(o=0.0092,f=-0.38) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.824 X(o=0.0092,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= 0.284 (180deg=-0.285) USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= 0.033 (180deg=-0.725!) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.577) USER MOD Single : A 60 THR OG1 : rot 63:sc= 0.0782 USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= 1.95 (180deg=0.831) USER MOD Single : A 68 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 1.04 K(o=1,f=-0.046) USER MOD Single : A 74 THR OG1 : rot -78:sc= 0.488 USER MOD Single : A 77 GLN : amide:sc= 0.743 K(o=0.74,f=-5.7!) USER MOD Single : A 78 CYS SG : rot 99:sc= 0.413 USER MOD Single : A 80 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0076) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00416 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.211 -9.160 -12.882 1.00 0.00 N ATOM 90 CA TRP A 43 14.427 -9.068 -13.672 1.00 0.00 C ATOM 91 C TRP A 43 14.081 -9.027 -15.155 1.00 0.00 C ATOM 92 O TRP A 43 13.263 -9.818 -15.625 1.00 0.00 O ATOM 93 CB TRP A 43 15.322 -10.269 -13.356 1.00 0.00 C ATOM 94 CG TRP A 43 16.327 -10.011 -12.285 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.108 -10.089 -10.963 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.715 -9.605 -12.424 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.238 -9.759 -10.258 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.276 -9.446 -11.119 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.562 -9.349 -13.522 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.601 -9.048 -10.919 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.896 -8.942 -13.328 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.414 -8.788 -12.031 1.00 0.00 C ATOM 0 HA TRP A 43 14.962 -8.152 -13.423 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.694 -11.108 -13.056 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.844 -10.570 -14.265 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.168 -10.374 -10.514 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.304 -9.746 -9.240 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.182 -9.467 -14.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.994 -8.942 -9.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.526 -8.747 -14.183 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.437 -8.470 -11.891 1.00 0.00 H new ATOM 113 N THR A 44 14.709 -8.100 -15.888 1.00 0.00 N ATOM 114 CA THR A 44 14.483 -7.950 -17.319 1.00 0.00 C ATOM 115 C THR A 44 15.524 -8.771 -18.084 1.00 0.00 C ATOM 116 O THR A 44 16.621 -9.006 -17.578 1.00 0.00 O ATOM 117 CB THR A 44 14.573 -6.461 -17.694 1.00 0.00 C ATOM 118 OG1 THR A 44 14.137 -5.667 -16.608 1.00 0.00 O ATOM 119 CG2 THR A 44 13.690 -6.177 -18.912 1.00 0.00 C ATOM 0 H THR A 44 15.383 -7.439 -15.503 1.00 0.00 H new ATOM 0 HA THR A 44 13.491 -8.315 -17.584 1.00 0.00 H new ATOM 0 HB THR A 44 15.609 -6.218 -17.931 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.850 -5.608 -15.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.758 -5.121 -19.172 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.027 -6.781 -19.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.655 -6.427 -18.677 1.00 0.00 H new ATOM 127 N ARG A 45 15.184 -9.208 -19.306 1.00 0.00 N ATOM 128 CA ARG A 45 16.100 -9.999 -20.118 1.00 0.00 C ATOM 129 C ARG A 45 17.405 -9.231 -20.318 1.00 0.00 C ATOM 130 O ARG A 45 18.479 -9.762 -20.065 1.00 0.00 O ATOM 131 CB ARG A 45 15.458 -10.325 -21.473 1.00 0.00 C ATOM 132 CG ARG A 45 15.927 -11.714 -21.938 1.00 0.00 C ATOM 133 CD ARG A 45 15.864 -11.839 -23.471 1.00 0.00 C ATOM 134 NE ARG A 45 14.817 -10.985 -24.058 1.00 0.00 N ATOM 135 CZ ARG A 45 15.074 -9.848 -24.745 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.309 -9.317 -24.761 1.00 0.00 N ATOM 137 NH2 ARG A 45 14.085 -9.243 -25.415 1.00 0.00 N ATOM 0 H ARG A 45 14.282 -9.024 -19.746 1.00 0.00 H new ATOM 0 HA ARG A 45 16.316 -10.936 -19.604 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.372 -10.305 -21.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.733 -9.570 -22.210 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.948 -11.889 -21.598 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.303 -12.483 -21.482 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.831 -11.569 -23.896 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.676 -12.878 -23.741 1.00 0.00 H new ATOM 0 HE ARG A 45 13.844 -11.267 -23.940 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.066 -9.772 -24.251 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.489 -8.459 -25.283 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.145 -9.640 -25.405 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.271 -8.386 -25.935 1.00 0.00 H new ATOM 151 N GLU A 46 17.301 -7.974 -20.772 1.00 0.00 N ATOM 152 CA GLU A 46 18.465 -7.128 -21.004 1.00 0.00 C ATOM 153 C GLU A 46 19.303 -7.028 -19.726 1.00 0.00 C ATOM 154 O GLU A 46 20.530 -7.006 -19.786 1.00 0.00 O ATOM 155 CB GLU A 46 17.992 -5.741 -21.453 1.00 0.00 C ATOM 156 CG GLU A 46 19.190 -4.899 -21.903 1.00 0.00 C ATOM 157 CD GLU A 46 18.749 -3.495 -22.297 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.913 -3.401 -23.222 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.256 -2.543 -21.665 1.00 0.00 O ATOM 0 H GLU A 46 16.411 -7.524 -20.985 1.00 0.00 H new ATOM 0 HA GLU A 46 19.089 -7.562 -21.785 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.278 -5.838 -22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.473 -5.242 -20.634 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.923 -4.842 -21.098 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.682 -5.381 -22.748 1.00 0.00 H new ATOM 166 N GLU A 47 18.631 -6.968 -18.573 1.00 0.00 N ATOM 167 CA GLU A 47 19.300 -6.860 -17.287 1.00 0.00 C ATOM 168 C GLU A 47 20.179 -8.094 -17.069 1.00 0.00 C ATOM 169 O GLU A 47 21.333 -7.968 -16.670 1.00 0.00 O ATOM 170 CB GLU A 47 18.240 -6.739 -16.183 1.00 0.00 C ATOM 171 CG GLU A 47 18.379 -5.399 -15.456 1.00 0.00 C ATOM 172 CD GLU A 47 17.101 -5.050 -14.696 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.171 -5.899 -14.700 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.071 -3.945 -14.118 1.00 0.00 O ATOM 0 H GLU A 47 17.613 -6.993 -18.511 1.00 0.00 H new ATOM 0 HA GLU A 47 19.936 -5.975 -17.261 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.243 -6.824 -16.616 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.350 -7.559 -15.473 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.218 -5.444 -14.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.603 -4.613 -16.177 1.00 0.00 H new ATOM 181 N ASP A 48 19.630 -9.289 -17.339 1.00 0.00 N ATOM 182 CA ASP A 48 20.374 -10.536 -17.190 1.00 0.00 C ATOM 183 C ASP A 48 21.509 -10.588 -18.213 1.00 0.00 C ATOM 184 O ASP A 48 22.629 -10.973 -17.879 1.00 0.00 O ATOM 185 CB ASP A 48 19.429 -11.728 -17.376 1.00 0.00 C ATOM 186 CG ASP A 48 18.560 -11.936 -16.144 1.00 0.00 C ATOM 187 OD1 ASP A 48 19.147 -12.152 -15.062 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.322 -11.881 -16.301 1.00 0.00 O ATOM 0 H ASP A 48 18.670 -9.411 -17.662 1.00 0.00 H new ATOM 0 HA ASP A 48 20.804 -10.584 -16.190 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.796 -11.561 -18.247 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.010 -12.629 -17.572 1.00 0.00 H new ATOM 193 N GLU A 49 21.220 -10.195 -19.461 1.00 0.00 N ATOM 194 CA GLU A 49 22.219 -10.174 -20.520 1.00 0.00 C ATOM 195 C GLU A 49 23.393 -9.289 -20.094 1.00 0.00 C ATOM 196 O GLU A 49 24.551 -9.624 -20.349 1.00 0.00 O ATOM 197 CB GLU A 49 21.582 -9.646 -21.811 1.00 0.00 C ATOM 198 CG GLU A 49 20.617 -10.687 -22.388 1.00 0.00 C ATOM 199 CD GLU A 49 19.805 -10.096 -23.536 1.00 0.00 C ATOM 200 OE1 GLU A 49 20.427 -9.813 -24.581 1.00 0.00 O ATOM 201 OE2 GLU A 49 18.576 -9.937 -23.346 1.00 0.00 O ATOM 0 H GLU A 49 20.294 -9.887 -19.756 1.00 0.00 H new ATOM 0 HA GLU A 49 22.591 -11.182 -20.702 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.048 -8.717 -21.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.358 -9.415 -22.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.178 -11.553 -22.741 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.945 -11.040 -21.605 1.00 0.00 H new ATOM 208 N LYS A 50 23.085 -8.162 -19.441 1.00 0.00 N ATOM 209 CA LYS A 50 24.095 -7.241 -18.951 1.00 0.00 C ATOM 210 C LYS A 50 24.849 -7.886 -17.786 1.00 0.00 C ATOM 211 O LYS A 50 26.076 -7.847 -17.744 1.00 0.00 O ATOM 212 CB LYS A 50 23.406 -5.942 -18.505 1.00 0.00 C ATOM 213 CG LYS A 50 24.447 -4.862 -18.176 1.00 0.00 C ATOM 214 CD LYS A 50 24.664 -3.957 -19.393 1.00 0.00 C ATOM 215 CE LYS A 50 25.557 -2.771 -19.010 1.00 0.00 C ATOM 216 NZ LYS A 50 24.845 -1.825 -18.126 1.00 0.00 N ATOM 0 H LYS A 50 22.128 -7.871 -19.242 1.00 0.00 H new ATOM 0 HA LYS A 50 24.813 -7.009 -19.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.743 -5.587 -19.294 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.786 -6.135 -17.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.111 -4.268 -17.326 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.389 -5.329 -17.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 25.125 -4.524 -20.201 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.705 -3.596 -19.764 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.454 -3.135 -18.509 1.00 0.00 H new ATOM 0 HE3 LYS A 50 25.884 -2.253 -19.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.975 -0.855 -18.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.831 -2.057 -18.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.227 -1.896 -17.162 1.00 0.00 H new ATOM 230 N LEU A 51 24.103 -8.478 -16.842 1.00 0.00 N ATOM 231 CA LEU A 51 24.684 -9.115 -15.670 1.00 0.00 C ATOM 232 C LEU A 51 25.747 -10.125 -16.092 1.00 0.00 C ATOM 233 O LEU A 51 26.870 -10.070 -15.609 1.00 0.00 O ATOM 234 CB LEU A 51 23.572 -9.798 -14.861 1.00 0.00 C ATOM 235 CG LEU A 51 24.130 -10.351 -13.540 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.509 -9.196 -12.609 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.069 -11.219 -12.862 1.00 0.00 C ATOM 0 H LEU A 51 23.085 -8.524 -16.877 1.00 0.00 H new ATOM 0 HA LEU A 51 25.164 -8.362 -15.045 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.773 -9.085 -14.655 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.134 -10.608 -15.445 1.00 0.00 H new ATOM 0 HG LEU A 51 25.016 -10.950 -13.750 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.904 -9.596 -11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.268 -8.577 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.626 -8.592 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.464 -11.611 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.183 -10.618 -12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.803 -12.047 -13.519 1.00 0.00 H new ATOM 249 N LYS A 52 25.386 -11.047 -16.995 1.00 0.00 N ATOM 250 CA LYS A 52 26.310 -12.067 -17.474 1.00 0.00 C ATOM 251 C LYS A 52 27.629 -11.432 -17.922 1.00 0.00 C ATOM 252 O LYS A 52 28.696 -11.837 -17.467 1.00 0.00 O ATOM 253 CB LYS A 52 25.662 -12.839 -18.630 1.00 0.00 C ATOM 254 CG LYS A 52 26.663 -13.854 -19.191 1.00 0.00 C ATOM 255 CD LYS A 52 25.971 -14.766 -20.207 1.00 0.00 C ATOM 256 CE LYS A 52 26.949 -15.849 -20.681 1.00 0.00 C ATOM 257 NZ LYS A 52 28.066 -15.268 -21.451 1.00 0.00 N ATOM 0 H LYS A 52 24.454 -11.102 -17.406 1.00 0.00 H new ATOM 0 HA LYS A 52 26.531 -12.759 -16.661 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.765 -13.351 -18.282 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.351 -12.148 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.495 -13.333 -19.665 1.00 0.00 H new ATOM 0 HG3 LYS A 52 27.081 -14.451 -18.380 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.093 -15.228 -19.756 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.622 -14.180 -21.057 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.341 -16.389 -19.819 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.419 -16.575 -21.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.896 -15.890 -21.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.787 -15.173 -22.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 28.302 -14.331 -21.066 1.00 0.00 H new ATOM 271 N LYS A 53 27.554 -10.442 -18.818 1.00 0.00 N ATOM 272 CA LYS A 53 28.743 -9.784 -19.345 1.00 0.00 C ATOM 273 C LYS A 53 29.568 -9.179 -18.209 1.00 0.00 C ATOM 274 O LYS A 53 30.782 -9.359 -18.164 1.00 0.00 O ATOM 275 CB LYS A 53 28.327 -8.699 -20.343 1.00 0.00 C ATOM 276 CG LYS A 53 27.690 -9.345 -21.576 1.00 0.00 C ATOM 277 CD LYS A 53 27.259 -8.253 -22.561 1.00 0.00 C ATOM 278 CE LYS A 53 26.324 -8.848 -23.618 1.00 0.00 C ATOM 279 NZ LYS A 53 24.960 -9.024 -23.084 1.00 0.00 N ATOM 0 H LYS A 53 26.676 -10.081 -19.191 1.00 0.00 H new ATOM 0 HA LYS A 53 29.362 -10.521 -19.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.621 -8.013 -19.875 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.196 -8.110 -20.637 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.400 -10.020 -22.053 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.829 -9.944 -21.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.754 -7.448 -22.027 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.135 -7.817 -23.041 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.295 -8.195 -24.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.714 -9.810 -23.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.510 -9.842 -23.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.007 -9.185 -22.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.400 -8.169 -23.275 1.00 0.00 H new ATOM 293 N LEU A 54 28.910 -8.457 -17.297 1.00 0.00 N ATOM 294 CA LEU A 54 29.592 -7.809 -16.185 1.00 0.00 C ATOM 295 C LEU A 54 30.280 -8.846 -15.292 1.00 0.00 C ATOM 296 O LEU A 54 31.393 -8.613 -14.828 1.00 0.00 O ATOM 297 CB LEU A 54 28.584 -6.988 -15.376 1.00 0.00 C ATOM 298 CG LEU A 54 28.076 -5.795 -16.202 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.889 -5.156 -15.479 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.193 -4.759 -16.368 1.00 0.00 C ATOM 0 H LEU A 54 27.901 -8.309 -17.312 1.00 0.00 H new ATOM 0 HA LEU A 54 30.361 -7.144 -16.580 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.745 -7.618 -15.082 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.050 -6.630 -14.458 1.00 0.00 H new ATOM 0 HG LEU A 54 27.766 -6.142 -17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.523 -4.309 -16.059 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.092 -5.891 -15.368 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.205 -4.812 -14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.824 -3.917 -16.954 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.511 -4.406 -15.387 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.039 -5.216 -16.881 1.00 0.00 H new ATOM 312 N VAL A 55 29.623 -9.985 -15.051 1.00 0.00 N ATOM 313 CA VAL A 55 30.185 -11.039 -14.218 1.00 0.00 C ATOM 314 C VAL A 55 31.421 -11.628 -14.896 1.00 0.00 C ATOM 315 O VAL A 55 32.462 -11.776 -14.262 1.00 0.00 O ATOM 316 CB VAL A 55 29.117 -12.119 -13.970 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.766 -13.381 -13.389 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.079 -11.591 -12.978 1.00 0.00 C ATOM 0 H VAL A 55 28.698 -10.196 -15.425 1.00 0.00 H new ATOM 0 HA VAL A 55 30.490 -10.629 -13.255 1.00 0.00 H new ATOM 0 HB VAL A 55 28.637 -12.364 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.001 -14.138 -13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.506 -13.766 -14.091 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.253 -13.138 -12.445 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.322 -12.355 -12.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.569 -11.342 -12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.605 -10.699 -13.388 1.00 0.00 H new ATOM 328 N GLU A 56 31.305 -11.960 -16.185 1.00 0.00 N ATOM 329 CA GLU A 56 32.411 -12.533 -16.940 1.00 0.00 C ATOM 330 C GLU A 56 33.573 -11.536 -17.023 1.00 0.00 C ATOM 331 O GLU A 56 34.734 -11.938 -17.008 1.00 0.00 O ATOM 332 CB GLU A 56 31.922 -12.915 -18.342 1.00 0.00 C ATOM 333 CG GLU A 56 30.999 -14.136 -18.252 1.00 0.00 C ATOM 334 CD GLU A 56 30.399 -14.475 -19.612 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.839 -13.549 -20.240 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.501 -15.657 -20.004 1.00 0.00 O ATOM 0 H GLU A 56 30.449 -11.839 -16.726 1.00 0.00 H new ATOM 0 HA GLU A 56 32.772 -13.428 -16.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.390 -12.077 -18.793 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.773 -13.137 -18.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.559 -14.992 -17.875 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.200 -13.939 -17.538 1.00 0.00 H new ATOM 343 N GLN A 57 33.257 -10.238 -17.115 1.00 0.00 N ATOM 344 CA GLN A 57 34.272 -9.199 -17.217 1.00 0.00 C ATOM 345 C GLN A 57 35.000 -9.031 -15.884 1.00 0.00 C ATOM 346 O GLN A 57 36.229 -9.062 -15.842 1.00 0.00 O ATOM 347 CB GLN A 57 33.604 -7.880 -17.638 1.00 0.00 C ATOM 348 CG GLN A 57 34.668 -6.808 -17.919 1.00 0.00 C ATOM 349 CD GLN A 57 34.827 -5.860 -16.733 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.074 -4.898 -16.601 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.807 -6.131 -15.869 1.00 0.00 N ATOM 0 H GLN A 57 32.299 -9.888 -17.120 1.00 0.00 H new ATOM 0 HA GLN A 57 35.008 -9.485 -17.968 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.996 -8.041 -18.528 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.932 -7.537 -16.851 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.623 -7.288 -18.134 1.00 0.00 H new ATOM 0 HG3 GLN A 57 34.389 -6.240 -18.807 1.00 0.00 H new ATOM 0 HE21 GLN A 57 36.409 -6.941 -16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.954 -5.528 -15.060 1.00 0.00 H new ATOM 360 N ASN A 58 34.239 -8.835 -14.801 1.00 0.00 N ATOM 361 CA ASN A 58 34.808 -8.609 -13.480 1.00 0.00 C ATOM 362 C ASN A 58 34.990 -9.938 -12.746 1.00 0.00 C ATOM 363 O ASN A 58 36.087 -10.493 -12.739 1.00 0.00 O ATOM 364 CB ASN A 58 33.897 -7.652 -12.696 1.00 0.00 C ATOM 365 CG ASN A 58 33.789 -6.309 -13.410 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.564 -5.395 -13.142 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.828 -6.194 -14.328 1.00 0.00 N ATOM 0 H ASN A 58 33.219 -8.830 -14.821 1.00 0.00 H new ATOM 0 HA ASN A 58 35.793 -8.152 -13.575 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.906 -8.093 -12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.293 -7.505 -11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.714 -5.319 -14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.207 -6.981 -14.517 1.00 0.00 H new ATOM 374 N GLY A 59 33.916 -10.441 -12.125 1.00 0.00 N ATOM 375 CA GLY A 59 33.961 -11.687 -11.376 1.00 0.00 C ATOM 376 C GLY A 59 33.040 -11.598 -10.162 1.00 0.00 C ATOM 377 O GLY A 59 32.333 -10.604 -9.985 1.00 0.00 O ATOM 0 H GLY A 59 33.000 -9.993 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.656 -12.516 -12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.982 -11.891 -11.054 1.00 0.00 H new ATOM 381 N THR A 60 33.052 -12.639 -9.325 1.00 0.00 N ATOM 382 CA THR A 60 32.228 -12.689 -8.127 1.00 0.00 C ATOM 383 C THR A 60 32.922 -11.925 -6.993 1.00 0.00 C ATOM 384 O THR A 60 33.274 -12.508 -5.969 1.00 0.00 O ATOM 385 CB THR A 60 31.995 -14.157 -7.747 1.00 0.00 C ATOM 386 OG1 THR A 60 33.231 -14.842 -7.719 1.00 0.00 O ATOM 387 CG2 THR A 60 31.081 -14.818 -8.782 1.00 0.00 C ATOM 0 H THR A 60 33.633 -13.466 -9.463 1.00 0.00 H new ATOM 0 HA THR A 60 31.263 -12.217 -8.309 1.00 0.00 H new ATOM 0 HB THR A 60 31.528 -14.201 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.801 -14.459 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.917 -15.861 -8.510 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.125 -14.296 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.549 -14.769 -9.765 1.00 0.00 H new ATOM 395 N ASP A 61 33.119 -10.614 -7.191 1.00 0.00 N ATOM 396 CA ASP A 61 33.783 -9.765 -6.215 1.00 0.00 C ATOM 397 C ASP A 61 32.743 -9.195 -5.235 1.00 0.00 C ATOM 398 O ASP A 61 31.841 -9.913 -4.806 1.00 0.00 O ATOM 399 CB ASP A 61 34.532 -8.659 -6.977 1.00 0.00 C ATOM 400 CG ASP A 61 35.585 -7.992 -6.100 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.623 -8.643 -5.864 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.327 -6.841 -5.686 1.00 0.00 O ATOM 0 H ASP A 61 32.820 -10.122 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 61 34.504 -10.330 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.009 -9.083 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 61 33.821 -7.911 -7.327 1.00 0.00 H new ATOM 407 N ASP A 62 32.868 -7.906 -4.889 1.00 0.00 N ATOM 408 CA ASP A 62 31.939 -7.244 -3.974 1.00 0.00 C ATOM 409 C ASP A 62 30.585 -7.002 -4.639 1.00 0.00 C ATOM 410 O ASP A 62 29.656 -6.545 -3.976 1.00 0.00 O ATOM 411 CB ASP A 62 32.540 -5.907 -3.512 1.00 0.00 C ATOM 412 CG ASP A 62 32.660 -5.855 -1.996 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.633 -6.440 -1.477 1.00 0.00 O ATOM 414 OD2 ASP A 62 31.765 -5.223 -1.384 1.00 0.00 O ATOM 0 H ASP A 62 33.612 -7.300 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 62 31.781 -7.895 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.523 -5.772 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 62 31.915 -5.084 -3.859 1.00 0.00 H new ATOM 419 N TRP A 63 30.482 -7.293 -5.950 1.00 0.00 N ATOM 420 CA TRP A 63 29.252 -7.102 -6.721 1.00 0.00 C ATOM 421 C TRP A 63 28.860 -5.617 -6.801 1.00 0.00 C ATOM 422 O TRP A 63 27.882 -5.275 -7.463 1.00 0.00 O ATOM 423 CB TRP A 63 28.118 -7.951 -6.127 1.00 0.00 C ATOM 424 CG TRP A 63 28.243 -9.411 -6.401 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.772 -10.330 -5.574 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.835 -10.145 -7.585 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.728 -11.581 -6.140 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.151 -11.527 -7.397 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.227 -9.786 -8.806 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.872 -12.495 -8.365 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.948 -10.754 -9.785 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.268 -12.107 -9.567 1.00 0.00 C ATOM 0 H TRP A 63 31.255 -7.668 -6.500 1.00 0.00 H new ATOM 0 HA TRP A 63 29.433 -7.437 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.089 -7.796 -5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.167 -7.598 -6.525 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.177 -10.114 -4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.073 -12.432 -5.695 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.972 -8.753 -8.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.120 -13.531 -8.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.484 -10.457 -10.714 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.048 -12.844 -10.325 1.00 0.00 H new ATOM 443 N LYS A 64 29.624 -4.734 -6.146 1.00 0.00 N ATOM 444 CA LYS A 64 29.360 -3.308 -6.179 1.00 0.00 C ATOM 445 C LYS A 64 29.792 -2.766 -7.537 1.00 0.00 C ATOM 446 O LYS A 64 29.110 -1.924 -8.119 1.00 0.00 O ATOM 447 CB LYS A 64 30.123 -2.627 -5.032 1.00 0.00 C ATOM 448 CG LYS A 64 29.139 -1.927 -4.085 1.00 0.00 C ATOM 449 CD LYS A 64 29.732 -1.860 -2.668 1.00 0.00 C ATOM 450 CE LYS A 64 29.038 -2.884 -1.757 1.00 0.00 C ATOM 451 NZ LYS A 64 29.287 -4.271 -2.200 1.00 0.00 N ATOM 0 H LYS A 64 30.435 -4.995 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 64 28.298 -3.104 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.705 -3.367 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.830 -1.902 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.926 -0.921 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.192 -2.467 -4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.803 -2.060 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 64 29.609 -0.857 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.393 -2.760 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.965 -2.693 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 28.468 -4.865 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 29.433 -4.286 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 30.135 -4.640 -1.724 1.00 0.00 H new ATOM 465 N VAL A 65 30.924 -3.268 -8.046 1.00 0.00 N ATOM 466 CA VAL A 65 31.429 -2.876 -9.352 1.00 0.00 C ATOM 467 C VAL A 65 30.373 -3.199 -10.410 1.00 0.00 C ATOM 468 O VAL A 65 30.131 -2.406 -11.313 1.00 0.00 O ATOM 469 CB VAL A 65 32.738 -3.629 -9.642 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.311 -3.172 -10.987 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.759 -3.347 -8.535 1.00 0.00 C ATOM 0 H VAL A 65 31.506 -3.952 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 65 31.635 -1.806 -9.372 1.00 0.00 H new ATOM 0 HB VAL A 65 32.530 -4.698 -9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.238 -3.708 -11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.592 -3.381 -11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.511 -2.101 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.684 -3.884 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.962 -2.277 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.358 -3.679 -7.577 1.00 0.00 H new ATOM 481 N ILE A 66 29.746 -4.372 -10.282 1.00 0.00 N ATOM 482 CA ILE A 66 28.713 -4.811 -11.204 1.00 0.00 C ATOM 483 C ILE A 66 27.465 -3.940 -11.030 1.00 0.00 C ATOM 484 O ILE A 66 26.896 -3.467 -12.014 1.00 0.00 O ATOM 485 CB ILE A 66 28.410 -6.298 -10.937 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.640 -7.137 -11.336 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.187 -6.739 -11.751 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.506 -8.571 -10.830 1.00 0.00 C ATOM 0 H ILE A 66 29.945 -5.038 -9.535 1.00 0.00 H new ATOM 0 HA ILE A 66 29.049 -4.706 -12.236 1.00 0.00 H new ATOM 0 HB ILE A 66 28.193 -6.444 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.749 -7.138 -12.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.543 -6.685 -10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.980 -7.791 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.323 -6.140 -11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.387 -6.599 -12.813 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.386 -9.144 -11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.422 -8.567 -9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.615 -9.027 -11.261 1.00 0.00 H new ATOM 500 N ALA A 67 27.044 -3.732 -9.775 1.00 0.00 N ATOM 501 CA ALA A 67 25.861 -2.935 -9.468 1.00 0.00 C ATOM 502 C ALA A 67 25.997 -1.512 -10.017 1.00 0.00 C ATOM 503 O ALA A 67 25.001 -0.905 -10.399 1.00 0.00 O ATOM 504 CB ALA A 67 25.656 -2.903 -7.954 1.00 0.00 C ATOM 0 H ALA A 67 27.514 -4.111 -8.953 1.00 0.00 H new ATOM 0 HA ALA A 67 24.994 -3.392 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.773 -2.309 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.519 -3.919 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.530 -2.459 -7.478 1.00 0.00 H new ATOM 510 N ASN A 68 27.224 -0.975 -10.057 1.00 0.00 N ATOM 511 CA ASN A 68 27.459 0.375 -10.561 1.00 0.00 C ATOM 512 C ASN A 68 26.955 0.502 -12.004 1.00 0.00 C ATOM 513 O ASN A 68 26.422 1.543 -12.381 1.00 0.00 O ATOM 514 CB ASN A 68 28.955 0.711 -10.482 1.00 0.00 C ATOM 515 CG ASN A 68 29.262 1.554 -9.248 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.476 2.758 -9.355 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.286 0.921 -8.077 1.00 0.00 N ATOM 0 H ASN A 68 28.066 -1.459 -9.745 1.00 0.00 H new ATOM 0 HA ASN A 68 26.908 1.083 -9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.537 -0.210 -10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.258 1.250 -11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.488 1.438 -7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.102 -0.081 -8.035 1.00 0.00 H new ATOM 524 N TYR A 69 27.124 -0.558 -12.809 1.00 0.00 N ATOM 525 CA TYR A 69 26.693 -0.546 -14.205 1.00 0.00 C ATOM 526 C TYR A 69 25.191 -0.848 -14.319 1.00 0.00 C ATOM 527 O TYR A 69 24.653 -0.870 -15.429 1.00 0.00 O ATOM 528 CB TYR A 69 27.508 -1.574 -14.991 1.00 0.00 C ATOM 529 CG TYR A 69 28.992 -1.276 -15.012 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.478 -0.168 -15.729 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.887 -2.108 -14.317 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.857 0.105 -15.750 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.264 -1.835 -14.340 1.00 0.00 C ATOM 534 CZ TYR A 69 31.749 -0.728 -15.056 1.00 0.00 C ATOM 535 OH TYR A 69 33.087 -0.462 -15.078 1.00 0.00 O ATOM 0 H TYR A 69 27.557 -1.432 -12.512 1.00 0.00 H new ATOM 0 HA TYR A 69 26.863 0.447 -14.621 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.349 -2.561 -14.557 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.138 -1.613 -16.016 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.792 0.473 -16.263 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.515 -2.958 -13.765 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.230 0.956 -16.300 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.950 -2.476 -13.807 1.00 0.00 H new ATOM 0 HH TYR A 69 33.563 -1.134 -14.547 1.00 0.00 H new ATOM 545 N LEU A 70 24.520 -1.075 -13.179 1.00 0.00 N ATOM 546 CA LEU A 70 23.087 -1.350 -13.143 1.00 0.00 C ATOM 547 C LEU A 70 22.452 -0.527 -12.015 1.00 0.00 C ATOM 548 O LEU A 70 22.137 -1.079 -10.960 1.00 0.00 O ATOM 549 CB LEU A 70 22.858 -2.854 -12.903 1.00 0.00 C ATOM 550 CG LEU A 70 23.171 -3.665 -14.171 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.265 -5.149 -13.810 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.058 -3.468 -15.208 1.00 0.00 C ATOM 0 H LEU A 70 24.962 -1.072 -12.260 1.00 0.00 H new ATOM 0 HA LEU A 70 22.628 -1.074 -14.092 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.489 -3.196 -12.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.824 -3.025 -12.603 1.00 0.00 H new ATOM 0 HG LEU A 70 24.117 -3.323 -14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.487 -5.728 -14.706 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.059 -5.296 -13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.316 -5.482 -13.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.288 -4.046 -16.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.109 -3.806 -14.792 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.985 -2.412 -15.467 1.00 0.00 H new ATOM 564 N PRO A 71 22.267 0.799 -12.229 1.00 0.00 N ATOM 565 CA PRO A 71 21.695 1.691 -11.231 1.00 0.00 C ATOM 566 C PRO A 71 20.216 1.358 -10.988 1.00 0.00 C ATOM 567 O PRO A 71 19.326 2.058 -11.462 1.00 0.00 O ATOM 568 CB PRO A 71 21.887 3.108 -11.792 1.00 0.00 C ATOM 569 CG PRO A 71 22.291 2.946 -13.262 1.00 0.00 C ATOM 570 CD PRO A 71 22.627 1.467 -13.465 1.00 0.00 C ATOM 0 HA PRO A 71 22.180 1.590 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.968 3.687 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.656 3.644 -11.236 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.480 3.253 -13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.150 3.574 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.072 1.053 -14.307 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.686 1.335 -13.685 1.00 0.00 H new ATOM 578 N ASN A 72 19.980 0.273 -10.243 1.00 0.00 N ATOM 579 CA ASN A 72 18.643 -0.217 -9.906 1.00 0.00 C ATOM 580 C ASN A 72 18.789 -1.529 -9.143 1.00 0.00 C ATOM 581 O ASN A 72 18.086 -1.770 -8.164 1.00 0.00 O ATOM 582 CB ASN A 72 17.799 -0.441 -11.178 1.00 0.00 C ATOM 583 CG ASN A 72 16.521 0.394 -11.150 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.458 -0.112 -10.797 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.619 1.668 -11.523 1.00 0.00 N ATOM 0 H ASN A 72 20.728 -0.299 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 72 18.132 0.525 -9.293 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.387 -0.180 -12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.544 -1.497 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.792 2.265 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.521 2.048 -11.809 1.00 0.00 H new ATOM 592 N ARG A 73 19.715 -2.374 -9.613 1.00 0.00 N ATOM 593 CA ARG A 73 19.975 -3.674 -9.021 1.00 0.00 C ATOM 594 C ARG A 73 21.223 -3.579 -8.144 1.00 0.00 C ATOM 595 O ARG A 73 22.341 -3.570 -8.655 1.00 0.00 O ATOM 596 CB ARG A 73 20.168 -4.687 -10.155 1.00 0.00 C ATOM 597 CG ARG A 73 18.939 -4.674 -11.081 1.00 0.00 C ATOM 598 CD ARG A 73 18.312 -6.065 -11.135 1.00 0.00 C ATOM 599 NE ARG A 73 17.067 -6.057 -11.910 1.00 0.00 N ATOM 600 CZ ARG A 73 15.919 -5.512 -11.474 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.783 -5.139 -10.194 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.907 -5.341 -12.330 1.00 0.00 N ATOM 0 H ARG A 73 20.303 -2.165 -10.420 1.00 0.00 H new ATOM 0 HA ARG A 73 19.143 -3.997 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.066 -4.444 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.313 -5.685 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.208 -3.950 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.231 -4.359 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.016 -6.767 -11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.111 -6.415 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 73 17.073 -6.490 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.555 -5.268 -9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.907 -4.726 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.010 -5.623 -13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.031 -4.928 -12.009 1.00 0.00 H new ATOM 616 N THR A 74 21.029 -3.497 -6.821 1.00 0.00 N ATOM 617 CA THR A 74 22.140 -3.370 -5.885 1.00 0.00 C ATOM 618 C THR A 74 23.005 -4.636 -5.901 1.00 0.00 C ATOM 619 O THR A 74 22.627 -5.652 -6.485 1.00 0.00 O ATOM 620 CB THR A 74 21.597 -3.073 -4.475 1.00 0.00 C ATOM 621 OG1 THR A 74 22.661 -2.695 -3.621 1.00 0.00 O ATOM 622 CG2 THR A 74 20.893 -4.304 -3.898 1.00 0.00 C ATOM 0 H THR A 74 20.109 -3.517 -6.380 1.00 0.00 H new ATOM 0 HA THR A 74 22.776 -2.539 -6.189 1.00 0.00 H new ATOM 0 HB THR A 74 20.877 -2.258 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 74 23.154 -3.494 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.516 -4.074 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.061 -4.584 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.599 -5.132 -3.837 1.00 0.00 H new ATOM 630 N ASP A 75 24.169 -4.555 -5.254 1.00 0.00 N ATOM 631 CA ASP A 75 25.125 -5.653 -5.185 1.00 0.00 C ATOM 632 C ASP A 75 24.470 -6.931 -4.652 1.00 0.00 C ATOM 633 O ASP A 75 24.656 -7.995 -5.228 1.00 0.00 O ATOM 634 CB ASP A 75 26.313 -5.228 -4.303 1.00 0.00 C ATOM 635 CG ASP A 75 25.892 -4.898 -2.868 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.749 -4.411 -2.694 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.731 -5.135 -1.968 1.00 0.00 O ATOM 0 H ASP A 75 24.474 -3.716 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 75 25.484 -5.877 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.053 -6.028 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.796 -4.357 -4.746 1.00 0.00 H new ATOM 642 N VAL A 76 23.710 -6.829 -3.557 1.00 0.00 N ATOM 643 CA VAL A 76 23.047 -7.986 -2.962 1.00 0.00 C ATOM 644 C VAL A 76 22.090 -8.632 -3.972 1.00 0.00 C ATOM 645 O VAL A 76 22.051 -9.855 -4.091 1.00 0.00 O ATOM 646 CB VAL A 76 22.291 -7.548 -1.696 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.507 -8.733 -1.121 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.288 -7.047 -0.646 1.00 0.00 C ATOM 0 H VAL A 76 23.540 -5.952 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 76 23.796 -8.729 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 76 21.599 -6.747 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.974 -8.416 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.791 -9.090 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 76 22.197 -9.537 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.749 -6.738 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.983 -7.848 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.843 -6.199 -1.047 1.00 0.00 H new ATOM 658 N GLN A 77 21.318 -7.812 -4.693 1.00 0.00 N ATOM 659 CA GLN A 77 20.356 -8.313 -5.664 1.00 0.00 C ATOM 660 C GLN A 77 21.084 -8.970 -6.839 1.00 0.00 C ATOM 661 O GLN A 77 20.690 -10.047 -7.288 1.00 0.00 O ATOM 662 CB GLN A 77 19.469 -7.157 -6.136 1.00 0.00 C ATOM 663 CG GLN A 77 18.347 -7.690 -7.030 1.00 0.00 C ATOM 664 CD GLN A 77 17.217 -6.672 -7.140 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.278 -5.759 -7.956 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.184 -6.830 -6.313 1.00 0.00 N ATOM 0 H GLN A 77 21.346 -6.795 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 77 19.725 -9.071 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.045 -6.639 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.067 -6.429 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.740 -7.913 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.963 -8.625 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.176 -7.605 -5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.402 -6.176 -6.343 1.00 0.00 H new ATOM 675 N CYS A 78 22.147 -8.323 -7.333 1.00 0.00 N ATOM 676 CA CYS A 78 22.930 -8.857 -8.440 1.00 0.00 C ATOM 677 C CYS A 78 23.570 -10.179 -8.019 1.00 0.00 C ATOM 678 O CYS A 78 23.585 -11.139 -8.790 1.00 0.00 O ATOM 679 CB CYS A 78 24.008 -7.848 -8.848 1.00 0.00 C ATOM 680 SG CYS A 78 23.230 -6.464 -9.715 1.00 0.00 S ATOM 0 H CYS A 78 22.480 -7.427 -6.978 1.00 0.00 H new ATOM 0 HA CYS A 78 22.279 -9.035 -9.296 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.539 -7.488 -7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.746 -8.327 -9.491 1.00 0.00 H new ATOM 0 HG CYS A 78 23.065 -5.473 -8.890 1.00 0.00 H new ATOM 686 N GLN A 79 24.096 -10.222 -6.790 1.00 0.00 N ATOM 687 CA GLN A 79 24.728 -11.413 -6.256 1.00 0.00 C ATOM 688 C GLN A 79 23.714 -12.542 -6.188 1.00 0.00 C ATOM 689 O GLN A 79 23.975 -13.630 -6.687 1.00 0.00 O ATOM 690 CB GLN A 79 25.302 -11.113 -4.868 1.00 0.00 C ATOM 691 CG GLN A 79 25.951 -12.378 -4.294 1.00 0.00 C ATOM 692 CD GLN A 79 26.752 -12.069 -3.034 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.721 -10.951 -2.528 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.474 -13.068 -2.527 1.00 0.00 N ATOM 0 H GLN A 79 24.091 -9.430 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 79 25.545 -11.720 -6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 79 26.039 -10.312 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.511 -10.765 -4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.179 -13.113 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.605 -12.825 -5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.470 -13.981 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 79 28.030 -12.919 -1.685 1.00 0.00 H new ATOM 703 N HIS A 80 22.556 -12.281 -5.571 1.00 0.00 N ATOM 704 CA HIS A 80 21.507 -13.278 -5.449 1.00 0.00 C ATOM 705 C HIS A 80 21.154 -13.828 -6.821 1.00 0.00 C ATOM 706 O HIS A 80 21.185 -15.033 -7.024 1.00 0.00 O ATOM 707 CB HIS A 80 20.269 -12.653 -4.800 1.00 0.00 C ATOM 708 CG HIS A 80 20.364 -12.568 -3.301 1.00 0.00 C ATOM 709 ND1 HIS A 80 19.529 -11.753 -2.549 1.00 0.00 N ATOM 710 CD2 HIS A 80 21.170 -13.191 -2.381 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.873 -11.929 -1.259 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.870 -12.796 -1.087 1.00 0.00 N ATOM 0 H HIS A 80 22.329 -11.381 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 80 21.862 -14.095 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.121 -11.652 -5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.391 -13.239 -5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.943 -13.902 -2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.387 -11.416 -0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.306 -13.096 -0.215 1.00 0.00 H new ATOM 720 N ARG A 81 20.812 -12.939 -7.759 1.00 0.00 N ATOM 721 CA ARG A 81 20.415 -13.338 -9.099 1.00 0.00 C ATOM 722 C ARG A 81 21.315 -14.455 -9.623 1.00 0.00 C ATOM 723 O ARG A 81 20.813 -15.490 -10.055 1.00 0.00 O ATOM 724 CB ARG A 81 20.458 -12.117 -10.025 1.00 0.00 C ATOM 725 CG ARG A 81 20.002 -12.496 -11.443 1.00 0.00 C ATOM 726 CD ARG A 81 18.567 -13.030 -11.414 1.00 0.00 C ATOM 727 NE ARG A 81 17.963 -12.985 -12.751 1.00 0.00 N ATOM 728 CZ ARG A 81 16.730 -13.448 -13.015 1.00 0.00 C ATOM 729 NH1 ARG A 81 16.018 -14.051 -12.054 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.209 -13.308 -14.240 1.00 0.00 N ATOM 0 H ARG A 81 20.805 -11.931 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 81 19.397 -13.726 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.815 -11.331 -9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.471 -11.715 -10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 81 20.060 -11.625 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.670 -13.251 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.564 -14.055 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.969 -12.439 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 81 18.505 -12.583 -13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.412 -14.159 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.082 -14.402 -12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.748 -12.849 -14.974 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.273 -13.660 -14.439 1.00 0.00 H new ATOM 744 N TRP A 82 22.638 -14.263 -9.595 1.00 0.00 N ATOM 745 CA TRP A 82 23.532 -15.278 -10.115 1.00 0.00 C ATOM 746 C TRP A 82 23.736 -16.414 -9.119 1.00 0.00 C ATOM 747 O TRP A 82 23.505 -17.572 -9.462 1.00 0.00 O ATOM 748 CB TRP A 82 24.862 -14.683 -10.562 1.00 0.00 C ATOM 749 CG TRP A 82 25.497 -15.532 -11.609 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.187 -16.654 -11.377 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.425 -15.417 -13.064 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.531 -17.267 -12.551 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.095 -16.543 -13.633 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.843 -14.500 -13.969 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.186 -16.751 -15.007 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.933 -14.706 -15.364 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.603 -15.833 -15.877 1.00 0.00 C ATOM 0 H TRP A 82 23.097 -13.431 -9.225 1.00 0.00 H new ATOM 0 HA TRP A 82 23.054 -15.702 -10.998 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.703 -13.677 -10.950 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.531 -14.592 -9.706 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.439 -17.026 -10.395 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.044 -18.146 -12.614 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.324 -13.632 -13.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 26.704 -17.616 -15.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.485 -13.994 -16.041 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.665 -15.986 -16.944 1.00 0.00 H new ATOM 768 N GLN A 83 24.172 -16.099 -7.900 1.00 0.00 N ATOM 769 CA GLN A 83 24.454 -17.113 -6.890 1.00 0.00 C ATOM 770 C GLN A 83 23.159 -17.637 -6.251 1.00 0.00 C ATOM 771 O GLN A 83 23.097 -17.801 -5.033 1.00 0.00 O ATOM 772 CB GLN A 83 25.378 -16.512 -5.819 1.00 0.00 C ATOM 773 CG GLN A 83 26.667 -15.989 -6.468 1.00 0.00 C ATOM 774 CD GLN A 83 27.650 -15.480 -5.415 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.320 -15.402 -4.234 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.862 -15.132 -5.847 1.00 0.00 N ATOM 0 H GLN A 83 24.338 -15.142 -7.588 1.00 0.00 H new ATOM 0 HA GLN A 83 24.948 -17.959 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.867 -15.700 -5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.619 -17.267 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.133 -16.785 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.427 -15.185 -7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 83 29.093 -15.213 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.558 -14.785 -5.187 1.00 0.00 H new ATOM 785 N LYS A 84 22.125 -17.908 -7.067 1.00 0.00 N ATOM 786 CA LYS A 84 20.869 -18.437 -6.556 1.00 0.00 C ATOM 787 C LYS A 84 20.049 -19.086 -7.676 1.00 0.00 C ATOM 788 O LYS A 84 19.448 -20.135 -7.453 1.00 0.00 O ATOM 789 CB LYS A 84 20.068 -17.319 -5.875 1.00 0.00 C ATOM 790 CG LYS A 84 19.048 -17.922 -4.909 1.00 0.00 C ATOM 791 CD LYS A 84 18.260 -16.796 -4.231 1.00 0.00 C ATOM 792 CE LYS A 84 17.286 -17.381 -3.202 1.00 0.00 C ATOM 793 NZ LYS A 84 16.246 -18.199 -3.853 1.00 0.00 N ATOM 0 H LYS A 84 22.144 -17.767 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 84 21.093 -19.208 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.742 -16.653 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.558 -16.716 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.369 -18.583 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.556 -18.528 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.946 -16.105 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.711 -16.224 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.835 -17.991 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.817 -16.572 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.501 -18.426 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.833 -17.669 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.669 -19.080 -4.208 1.00 0.00 H new ATOM 807 N VAL A 85 20.002 -18.463 -8.876 1.00 0.00 N ATOM 808 CA VAL A 85 19.187 -18.990 -9.976 1.00 0.00 C ATOM 809 C VAL A 85 19.947 -19.006 -11.319 1.00 0.00 C ATOM 810 O VAL A 85 19.874 -19.998 -12.039 1.00 0.00 O ATOM 811 CB VAL A 85 17.871 -18.184 -10.083 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.970 -18.511 -8.886 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.141 -16.676 -10.103 1.00 0.00 C ATOM 0 H VAL A 85 20.513 -17.609 -9.098 1.00 0.00 H new ATOM 0 HA VAL A 85 18.951 -20.030 -9.749 1.00 0.00 H new ATOM 0 HB VAL A 85 17.381 -18.463 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.043 -17.943 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.743 -19.577 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.483 -18.246 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.196 -16.138 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 18.651 -16.386 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.768 -16.430 -10.960 1.00 0.00 H new ATOM 823 N LEU A 86 20.663 -17.925 -11.671 1.00 0.00 N ATOM 824 CA LEU A 86 21.375 -17.862 -12.955 1.00 0.00 C ATOM 825 C LEU A 86 22.470 -18.921 -13.053 1.00 0.00 C ATOM 826 O LEU A 86 22.532 -19.636 -14.048 1.00 0.00 O ATOM 827 CB LEU A 86 21.983 -16.462 -13.163 1.00 0.00 C ATOM 828 CG LEU A 86 21.506 -15.812 -14.468 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.767 -16.732 -15.667 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.028 -15.491 -14.368 1.00 0.00 C ATOM 0 H LEU A 86 20.763 -17.092 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 86 20.645 -18.062 -13.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 21.716 -15.823 -12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.070 -16.538 -13.173 1.00 0.00 H new ATOM 0 HG LEU A 86 22.067 -14.890 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.420 -16.248 -16.580 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.836 -16.932 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.231 -17.671 -15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.692 -15.029 -15.297 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.467 -16.410 -14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.860 -14.803 -13.539 1.00 0.00 H new