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 64 LYS NZ :NH3+ 160:sc= 1.02 (180deg=-0.348) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.587 K(o=1.6,f=-11!) USER MOD Set 2.1: A 58 ASN : amide:sc= 1.19 K(o=1.6,f=0.094) USER MOD Set 2.2: A 69 TYR OH : rot -179:sc= 0.417 USER MOD Set 3.1: A 53 LYS NZ :NH3+ -167:sc= 1.22 (180deg=-0.0695) USER MOD Set 3.2: A 57 GLN : amide:sc= 1.05 K(o=2.3,f=-9.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 1.03 (180deg=0.945) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0.576 (180deg=0.246) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 72 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 77 GLN : amide:sc= 0.114 K(o=0.11,f=-7.3!) USER MOD Single : A 78 CYS SG : rot 94:sc= 0.767 USER MOD Single : A 79 GLN : amide:sc= 0.0626 X(o=0.063,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.711 K(o=-0.71,f=-1.7!) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.088 -10.176 -13.257 1.00 0.00 N ATOM 90 CA TRP A 43 14.210 -9.839 -14.121 1.00 0.00 C ATOM 91 C TRP A 43 13.822 -10.123 -15.572 1.00 0.00 C ATOM 92 O TRP A 43 12.815 -10.787 -15.823 1.00 0.00 O ATOM 93 CB TRP A 43 15.428 -10.678 -13.715 1.00 0.00 C ATOM 94 CG TRP A 43 16.250 -10.110 -12.598 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.899 -10.070 -11.301 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.574 -9.501 -12.655 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.885 -9.489 -10.540 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.954 -9.112 -11.331 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.501 -9.239 -13.688 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.177 -8.496 -11.054 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.735 -8.612 -13.414 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.070 -8.241 -12.101 1.00 0.00 C ATOM 0 HA TRP A 43 14.462 -8.783 -14.021 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.085 -11.671 -13.424 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.069 -10.806 -14.588 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.965 -10.445 -10.909 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.835 -9.354 -9.530 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.262 -9.523 -14.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.431 -8.219 -10.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.427 -8.416 -14.220 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.016 -7.760 -11.900 1.00 0.00 H new ATOM 113 N THR A 44 14.623 -9.622 -16.525 1.00 0.00 N ATOM 114 CA THR A 44 14.374 -9.838 -17.947 1.00 0.00 C ATOM 115 C THR A 44 15.661 -10.322 -18.625 1.00 0.00 C ATOM 116 O THR A 44 16.756 -10.161 -18.082 1.00 0.00 O ATOM 117 CB THR A 44 13.826 -8.551 -18.590 1.00 0.00 C ATOM 118 OG1 THR A 44 13.607 -8.769 -19.968 1.00 0.00 O ATOM 119 CG2 THR A 44 14.809 -7.395 -18.412 1.00 0.00 C ATOM 0 H THR A 44 15.452 -9.062 -16.328 1.00 0.00 H new ATOM 0 HA THR A 44 13.617 -10.611 -18.079 1.00 0.00 H new ATOM 0 HB THR A 44 12.888 -8.291 -18.099 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.257 -7.950 -20.377 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.401 -6.496 -18.874 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.971 -7.215 -17.349 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.758 -7.648 -18.886 1.00 0.00 H new ATOM 127 N ARG A 45 15.512 -10.934 -19.807 1.00 0.00 N ATOM 128 CA ARG A 45 16.625 -11.524 -20.540 1.00 0.00 C ATOM 129 C ARG A 45 17.741 -10.511 -20.788 1.00 0.00 C ATOM 130 O ARG A 45 18.912 -10.832 -20.598 1.00 0.00 O ATOM 131 CB ARG A 45 16.097 -12.099 -21.865 1.00 0.00 C ATOM 132 CG ARG A 45 17.224 -12.792 -22.657 1.00 0.00 C ATOM 133 CD ARG A 45 17.914 -13.871 -21.809 1.00 0.00 C ATOM 134 NE ARG A 45 16.928 -14.726 -21.120 1.00 0.00 N ATOM 135 CZ ARG A 45 16.924 -14.934 -19.786 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.982 -14.593 -19.041 1.00 0.00 N ATOM 137 NH2 ARG A 45 15.852 -15.482 -19.202 1.00 0.00 N ATOM 0 H ARG A 45 14.612 -11.031 -20.277 1.00 0.00 H new ATOM 0 HA ARG A 45 17.059 -12.324 -19.940 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.298 -12.813 -21.663 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.665 -11.299 -22.466 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.813 -13.243 -23.561 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.957 -12.051 -22.975 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.549 -14.486 -22.447 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.564 -13.397 -21.073 1.00 0.00 H new ATOM 0 HE ARG A 45 16.211 -15.185 -21.682 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.801 -14.172 -19.480 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.970 -14.754 -18.034 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.041 -15.741 -19.764 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.845 -15.641 -18.194 1.00 0.00 H new ATOM 151 N GLU A 46 17.393 -9.295 -21.216 1.00 0.00 N ATOM 152 CA GLU A 46 18.394 -8.278 -21.500 1.00 0.00 C ATOM 153 C GLU A 46 19.241 -8.015 -20.255 1.00 0.00 C ATOM 154 O GLU A 46 20.466 -8.058 -20.321 1.00 0.00 O ATOM 155 CB GLU A 46 17.713 -6.992 -21.974 1.00 0.00 C ATOM 156 CG GLU A 46 18.786 -5.942 -22.285 1.00 0.00 C ATOM 157 CD GLU A 46 18.188 -4.691 -22.914 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.948 -4.557 -22.856 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.993 -3.890 -23.439 1.00 0.00 O ATOM 0 H GLU A 46 16.430 -8.997 -21.371 1.00 0.00 H new ATOM 0 HA GLU A 46 19.051 -8.633 -22.294 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.112 -7.190 -22.862 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.035 -6.620 -21.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.308 -5.673 -21.367 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.528 -6.369 -22.960 1.00 0.00 H new ATOM 166 N GLU A 47 18.585 -7.738 -19.126 1.00 0.00 N ATOM 167 CA GLU A 47 19.275 -7.447 -17.879 1.00 0.00 C ATOM 168 C GLU A 47 20.164 -8.627 -17.484 1.00 0.00 C ATOM 169 O GLU A 47 21.304 -8.426 -17.078 1.00 0.00 O ATOM 170 CB GLU A 47 18.250 -7.146 -16.782 1.00 0.00 C ATOM 171 CG GLU A 47 18.459 -5.727 -16.250 1.00 0.00 C ATOM 172 CD GLU A 47 17.486 -5.418 -15.120 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.455 -6.124 -15.039 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.788 -4.482 -14.350 1.00 0.00 O ATOM 0 H GLU A 47 17.568 -7.710 -19.056 1.00 0.00 H new ATOM 0 HA GLU A 47 19.910 -6.571 -18.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.240 -7.250 -17.178 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.351 -7.867 -15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.483 -5.616 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.323 -5.008 -17.058 1.00 0.00 H new ATOM 181 N ASP A 48 19.644 -9.858 -17.610 1.00 0.00 N ATOM 182 CA ASP A 48 20.415 -11.054 -17.288 1.00 0.00 C ATOM 183 C ASP A 48 21.676 -11.098 -18.151 1.00 0.00 C ATOM 184 O ASP A 48 22.754 -11.421 -17.658 1.00 0.00 O ATOM 185 CB ASP A 48 19.568 -12.310 -17.537 1.00 0.00 C ATOM 186 CG ASP A 48 18.485 -12.498 -16.478 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.707 -12.052 -15.332 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.448 -13.101 -16.835 1.00 0.00 O ATOM 0 H ASP A 48 18.694 -10.044 -17.932 1.00 0.00 H new ATOM 0 HA ASP A 48 20.698 -11.024 -16.236 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.103 -12.243 -18.521 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.216 -13.186 -17.550 1.00 0.00 H new ATOM 193 N GLU A 49 21.535 -10.773 -19.443 1.00 0.00 N ATOM 194 CA GLU A 49 22.656 -10.779 -20.370 1.00 0.00 C ATOM 195 C GLU A 49 23.678 -9.716 -19.959 1.00 0.00 C ATOM 196 O GLU A 49 24.878 -9.986 -19.953 1.00 0.00 O ATOM 197 CB GLU A 49 22.133 -10.536 -21.795 1.00 0.00 C ATOM 198 CG GLU A 49 23.269 -10.668 -22.822 1.00 0.00 C ATOM 199 CD GLU A 49 23.829 -12.089 -22.880 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.115 -13.016 -22.434 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.970 -12.226 -23.374 1.00 0.00 O ATOM 0 H GLU A 49 20.646 -10.502 -19.864 1.00 0.00 H new ATOM 0 HA GLU A 49 23.157 -11.747 -20.346 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.344 -11.252 -22.025 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.691 -9.542 -21.861 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.901 -10.383 -23.808 1.00 0.00 H new ATOM 0 HG3 GLU A 49 24.070 -9.973 -22.568 1.00 0.00 H new ATOM 208 N LYS A 50 23.208 -8.509 -19.609 1.00 0.00 N ATOM 209 CA LYS A 50 24.100 -7.437 -19.182 1.00 0.00 C ATOM 210 C LYS A 50 24.857 -7.879 -17.929 1.00 0.00 C ATOM 211 O LYS A 50 26.075 -7.733 -17.853 1.00 0.00 O ATOM 212 CB LYS A 50 23.301 -6.156 -18.900 1.00 0.00 C ATOM 213 CG LYS A 50 22.538 -5.709 -20.157 1.00 0.00 C ATOM 214 CD LYS A 50 22.746 -4.206 -20.387 1.00 0.00 C ATOM 215 CE LYS A 50 21.614 -3.645 -21.258 1.00 0.00 C ATOM 216 NZ LYS A 50 21.524 -4.350 -22.550 1.00 0.00 N ATOM 0 H LYS A 50 22.219 -8.258 -19.615 1.00 0.00 H new ATOM 0 HA LYS A 50 24.814 -7.224 -19.978 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.599 -6.330 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.976 -5.364 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.887 -6.270 -21.024 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.476 -5.925 -20.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.772 -3.684 -19.431 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.707 -4.034 -20.871 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.666 -3.735 -20.727 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.781 -2.582 -21.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.707 -3.992 -23.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.394 -4.187 -23.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.407 -5.370 -22.382 1.00 0.00 H new ATOM 230 N LEU A 51 24.125 -8.424 -16.948 1.00 0.00 N ATOM 231 CA LEU A 51 24.714 -8.893 -15.705 1.00 0.00 C ATOM 232 C LEU A 51 25.783 -9.939 -16.009 1.00 0.00 C ATOM 233 O LEU A 51 26.903 -9.832 -15.527 1.00 0.00 O ATOM 234 CB LEU A 51 23.607 -9.475 -14.811 1.00 0.00 C ATOM 235 CG LEU A 51 24.201 -10.037 -13.508 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.879 -8.918 -12.715 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.082 -10.650 -12.663 1.00 0.00 C ATOM 0 H LEU A 51 23.114 -8.548 -17.001 1.00 0.00 H new ATOM 0 HA LEU A 51 25.188 -8.066 -15.177 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.875 -8.701 -14.579 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.078 -10.264 -15.346 1.00 0.00 H new ATOM 0 HG LEU A 51 24.940 -10.800 -13.753 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.296 -9.326 -11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.678 -8.481 -13.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.146 -8.149 -12.472 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.501 -11.049 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.344 -9.884 -12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.603 -11.454 -13.221 1.00 0.00 H new ATOM 249 N LYS A 52 25.429 -10.946 -16.813 1.00 0.00 N ATOM 250 CA LYS A 52 26.350 -12.007 -17.192 1.00 0.00 C ATOM 251 C LYS A 52 27.624 -11.404 -17.789 1.00 0.00 C ATOM 252 O LYS A 52 28.724 -11.703 -17.334 1.00 0.00 O ATOM 253 CB LYS A 52 25.649 -12.923 -18.205 1.00 0.00 C ATOM 254 CG LYS A 52 26.577 -14.072 -18.627 1.00 0.00 C ATOM 255 CD LYS A 52 25.957 -14.829 -19.806 1.00 0.00 C ATOM 256 CE LYS A 52 26.241 -14.076 -21.111 1.00 0.00 C ATOM 257 NZ LYS A 52 25.432 -14.608 -22.220 1.00 0.00 N ATOM 0 H LYS A 52 24.497 -11.043 -17.216 1.00 0.00 H new ATOM 0 HA LYS A 52 26.635 -12.591 -16.317 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.736 -13.327 -17.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.354 -12.346 -19.081 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.554 -13.679 -18.908 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.735 -14.751 -17.789 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.368 -15.837 -19.860 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.882 -14.931 -19.660 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.026 -13.016 -20.976 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.300 -14.158 -21.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.488 -13.961 -23.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.794 -15.543 -22.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.441 -14.696 -21.916 1.00 0.00 H new ATOM 271 N LYS A 53 27.464 -10.558 -18.809 1.00 0.00 N ATOM 272 CA LYS A 53 28.587 -9.927 -19.487 1.00 0.00 C ATOM 273 C LYS A 53 29.499 -9.219 -18.478 1.00 0.00 C ATOM 274 O LYS A 53 30.717 -9.399 -18.509 1.00 0.00 O ATOM 275 CB LYS A 53 28.036 -8.941 -20.524 1.00 0.00 C ATOM 276 CG LYS A 53 29.175 -8.371 -21.372 1.00 0.00 C ATOM 277 CD LYS A 53 28.585 -7.578 -22.544 1.00 0.00 C ATOM 278 CE LYS A 53 29.707 -7.058 -23.449 1.00 0.00 C ATOM 279 NZ LYS A 53 30.496 -6.011 -22.777 1.00 0.00 N ATOM 0 H LYS A 53 26.553 -10.295 -19.184 1.00 0.00 H new ATOM 0 HA LYS A 53 29.190 -10.682 -19.991 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.312 -9.444 -21.166 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.507 -8.131 -20.021 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.809 -7.726 -20.764 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.806 -9.178 -21.745 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.909 -8.212 -23.118 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.995 -6.742 -22.167 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.360 -7.883 -23.732 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.280 -6.660 -24.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.097 -5.527 -23.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.854 -5.322 -22.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.095 -6.444 -22.045 1.00 0.00 H new ATOM 293 N LEU A 54 28.911 -8.413 -17.588 1.00 0.00 N ATOM 294 CA LEU A 54 29.674 -7.665 -16.596 1.00 0.00 C ATOM 295 C LEU A 54 30.357 -8.614 -15.604 1.00 0.00 C ATOM 296 O LEU A 54 31.497 -8.374 -15.216 1.00 0.00 O ATOM 297 CB LEU A 54 28.739 -6.698 -15.860 1.00 0.00 C ATOM 298 CG LEU A 54 28.256 -5.592 -16.813 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.096 -4.835 -16.161 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.400 -4.615 -17.111 1.00 0.00 C ATOM 0 H LEU A 54 27.903 -8.265 -17.538 1.00 0.00 H new ATOM 0 HA LEU A 54 30.454 -7.096 -17.102 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.883 -7.242 -15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.259 -6.254 -15.011 1.00 0.00 H new ATOM 0 HG LEU A 54 27.924 -6.045 -17.747 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.750 -4.050 -16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.278 -5.526 -15.960 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.433 -4.389 -15.225 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.047 -3.836 -17.787 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.742 -4.161 -16.181 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.226 -5.153 -17.577 1.00 0.00 H new ATOM 312 N VAL A 55 29.665 -9.681 -15.193 1.00 0.00 N ATOM 313 CA VAL A 55 30.209 -10.641 -14.238 1.00 0.00 C ATOM 314 C VAL A 55 31.441 -11.328 -14.824 1.00 0.00 C ATOM 315 O VAL A 55 32.463 -11.436 -14.154 1.00 0.00 O ATOM 316 CB VAL A 55 29.122 -11.671 -13.874 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.759 -12.917 -13.248 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.148 -11.052 -12.869 1.00 0.00 C ATOM 0 H VAL A 55 28.721 -9.899 -15.512 1.00 0.00 H new ATOM 0 HA VAL A 55 30.516 -10.120 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 55 28.591 -11.956 -14.782 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.980 -13.636 -12.996 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.452 -13.367 -13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.299 -12.635 -12.344 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.379 -11.780 -12.611 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.690 -10.762 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.681 -10.172 -13.310 1.00 0.00 H new ATOM 328 N GLU A 56 31.341 -11.796 -16.071 1.00 0.00 N ATOM 329 CA GLU A 56 32.441 -12.490 -16.722 1.00 0.00 C ATOM 330 C GLU A 56 33.646 -11.557 -16.886 1.00 0.00 C ATOM 331 O GLU A 56 34.783 -11.978 -16.686 1.00 0.00 O ATOM 332 CB GLU A 56 31.975 -13.016 -18.086 1.00 0.00 C ATOM 333 CG GLU A 56 30.894 -14.093 -17.902 1.00 0.00 C ATOM 334 CD GLU A 56 31.451 -15.333 -17.211 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.509 -15.814 -17.669 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.804 -15.776 -16.236 1.00 0.00 O ATOM 0 H GLU A 56 30.504 -11.703 -16.647 1.00 0.00 H new ATOM 0 HA GLU A 56 32.751 -13.331 -16.101 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.581 -12.195 -18.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.822 -13.431 -18.632 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.071 -13.687 -17.314 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.486 -14.370 -18.874 1.00 0.00 H new ATOM 343 N GLN A 57 33.399 -10.292 -17.256 1.00 0.00 N ATOM 344 CA GLN A 57 34.474 -9.329 -17.470 1.00 0.00 C ATOM 345 C GLN A 57 35.113 -8.913 -16.141 1.00 0.00 C ATOM 346 O GLN A 57 36.314 -9.092 -15.953 1.00 0.00 O ATOM 347 CB GLN A 57 33.925 -8.102 -18.204 1.00 0.00 C ATOM 348 CG GLN A 57 33.717 -8.434 -19.684 1.00 0.00 C ATOM 349 CD GLN A 57 33.347 -7.185 -20.474 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.192 -7.002 -20.848 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.330 -6.322 -20.728 1.00 0.00 N ATOM 0 H GLN A 57 32.463 -9.918 -17.412 1.00 0.00 H new ATOM 0 HA GLN A 57 35.246 -9.799 -18.079 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.982 -7.790 -17.756 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.617 -7.266 -18.103 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.627 -8.872 -20.094 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.929 -9.181 -19.786 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.276 -6.515 -20.398 1.00 0.00 H new ATOM 0 HE22 GLN A 57 34.137 -5.469 -21.253 1.00 0.00 H new ATOM 360 N ASN A 58 34.315 -8.345 -15.229 1.00 0.00 N ATOM 361 CA ASN A 58 34.821 -7.866 -13.946 1.00 0.00 C ATOM 362 C ASN A 58 35.110 -9.049 -13.023 1.00 0.00 C ATOM 363 O ASN A 58 36.269 -9.359 -12.756 1.00 0.00 O ATOM 364 CB ASN A 58 33.800 -6.911 -13.306 1.00 0.00 C ATOM 365 CG ASN A 58 33.585 -5.666 -14.164 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.197 -4.626 -13.924 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.710 -5.771 -15.165 1.00 0.00 N ATOM 0 H ASN A 58 33.313 -8.207 -15.361 1.00 0.00 H new ATOM 0 HA ASN A 58 35.751 -7.321 -14.106 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.851 -7.429 -13.170 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.147 -6.616 -12.316 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.526 -4.969 -15.768 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.225 -6.653 -15.328 1.00 0.00 H new ATOM 374 N GLY A 59 34.052 -9.703 -12.537 1.00 0.00 N ATOM 375 CA GLY A 59 34.180 -10.839 -11.641 1.00 0.00 C ATOM 376 C GLY A 59 32.888 -11.017 -10.851 1.00 0.00 C ATOM 377 O GLY A 59 32.008 -10.158 -10.896 1.00 0.00 O ATOM 0 H GLY A 59 33.087 -9.455 -12.757 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.396 -11.742 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.016 -10.685 -10.959 1.00 0.00 H new ATOM 381 N THR A 60 32.773 -12.133 -10.125 1.00 0.00 N ATOM 382 CA THR A 60 31.587 -12.420 -9.332 1.00 0.00 C ATOM 383 C THR A 60 31.642 -11.643 -8.019 1.00 0.00 C ATOM 384 O THR A 60 30.708 -10.924 -7.688 1.00 0.00 O ATOM 385 CB THR A 60 31.505 -13.928 -9.064 1.00 0.00 C ATOM 386 OG1 THR A 60 32.768 -14.409 -8.650 1.00 0.00 O ATOM 387 CG2 THR A 60 31.079 -14.658 -10.339 1.00 0.00 C ATOM 0 H THR A 60 33.494 -12.852 -10.074 1.00 0.00 H new ATOM 0 HA THR A 60 30.696 -12.111 -9.879 1.00 0.00 H new ATOM 0 HB THR A 60 30.771 -14.110 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 60 32.711 -15.372 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.022 -15.729 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.102 -14.295 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.809 -14.471 -11.126 1.00 0.00 H new ATOM 395 N ASP A 61 32.744 -11.794 -7.274 1.00 0.00 N ATOM 396 CA ASP A 61 32.913 -11.133 -5.985 1.00 0.00 C ATOM 397 C ASP A 61 32.781 -9.612 -6.127 1.00 0.00 C ATOM 398 O ASP A 61 32.412 -8.931 -5.170 1.00 0.00 O ATOM 399 CB ASP A 61 34.283 -11.504 -5.412 1.00 0.00 C ATOM 400 CG ASP A 61 34.434 -10.992 -3.984 1.00 0.00 C ATOM 401 OD1 ASP A 61 33.711 -11.522 -3.112 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.269 -10.083 -3.791 1.00 0.00 O ATOM 0 H ASP A 61 33.536 -12.375 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 61 32.130 -11.468 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 61 34.407 -12.587 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.069 -11.083 -6.038 1.00 0.00 H new ATOM 407 N ASP A 62 33.083 -9.082 -7.321 1.00 0.00 N ATOM 408 CA ASP A 62 33.015 -7.650 -7.587 1.00 0.00 C ATOM 409 C ASP A 62 31.559 -7.197 -7.776 1.00 0.00 C ATOM 410 O ASP A 62 31.238 -6.525 -8.758 1.00 0.00 O ATOM 411 CB ASP A 62 33.842 -7.341 -8.841 1.00 0.00 C ATOM 412 CG ASP A 62 35.264 -7.869 -8.706 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.449 -9.076 -8.973 1.00 0.00 O ATOM 414 OD2 ASP A 62 36.138 -7.054 -8.340 1.00 0.00 O ATOM 0 H ASP A 62 33.380 -9.638 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 62 33.421 -7.104 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.366 -7.789 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.865 -6.264 -9.008 1.00 0.00 H new ATOM 419 N TRP A 63 30.676 -7.555 -6.834 1.00 0.00 N ATOM 420 CA TRP A 63 29.275 -7.172 -6.906 1.00 0.00 C ATOM 421 C TRP A 63 29.139 -5.660 -6.766 1.00 0.00 C ATOM 422 O TRP A 63 28.250 -5.065 -7.364 1.00 0.00 O ATOM 423 CB TRP A 63 28.480 -7.901 -5.821 1.00 0.00 C ATOM 424 CG TRP A 63 28.372 -9.380 -6.029 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.707 -10.327 -5.134 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.911 -10.109 -7.208 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.506 -11.585 -5.651 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.016 -11.512 -6.942 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.420 -9.736 -8.484 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.668 -12.480 -7.886 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.065 -10.713 -9.435 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.196 -12.079 -9.139 1.00 0.00 C ATOM 0 H TRP A 63 30.916 -8.111 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 63 28.870 -7.459 -7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.949 -7.714 -4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.477 -7.478 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.084 -10.126 -4.142 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.693 -12.454 -5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.317 -8.690 -8.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.763 -13.530 -7.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.689 -10.408 -10.400 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.932 -12.820 -9.879 1.00 0.00 H new ATOM 443 N LYS A 64 30.027 -5.037 -5.983 1.00 0.00 N ATOM 444 CA LYS A 64 30.014 -3.594 -5.810 1.00 0.00 C ATOM 445 C LYS A 64 30.276 -2.925 -7.160 1.00 0.00 C ATOM 446 O LYS A 64 29.570 -1.995 -7.543 1.00 0.00 O ATOM 447 CB LYS A 64 31.087 -3.194 -4.791 1.00 0.00 C ATOM 448 CG LYS A 64 30.962 -1.699 -4.462 1.00 0.00 C ATOM 449 CD LYS A 64 32.267 -1.187 -3.836 1.00 0.00 C ATOM 450 CE LYS A 64 33.316 -0.903 -4.925 1.00 0.00 C ATOM 451 NZ LYS A 64 32.935 0.255 -5.757 1.00 0.00 N ATOM 0 H LYS A 64 30.761 -5.517 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 64 29.042 -3.269 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.977 -3.786 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 64 32.078 -3.406 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.739 -1.136 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 64 30.132 -1.538 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 64 32.071 -0.278 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.654 -1.926 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 64 34.283 -0.715 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 33.433 -1.783 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.778 0.629 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.235 -0.042 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.524 0.996 -5.154 1.00 0.00 H new ATOM 465 N VAL A 65 31.299 -3.408 -7.875 1.00 0.00 N ATOM 466 CA VAL A 65 31.669 -2.861 -9.170 1.00 0.00 C ATOM 467 C VAL A 65 30.491 -2.986 -10.137 1.00 0.00 C ATOM 468 O VAL A 65 30.177 -2.041 -10.858 1.00 0.00 O ATOM 469 CB VAL A 65 32.904 -3.605 -9.702 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.343 -2.993 -11.031 1.00 0.00 C ATOM 471 CG2 VAL A 65 34.053 -3.498 -8.692 1.00 0.00 C ATOM 0 H VAL A 65 31.885 -4.184 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 65 31.917 -1.804 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 65 32.648 -4.654 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.219 -3.524 -11.404 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.533 -3.076 -11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.591 -1.942 -10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.925 -4.028 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.305 -2.449 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.747 -3.941 -7.744 1.00 0.00 H new ATOM 481 N ILE A 66 29.835 -4.151 -10.147 1.00 0.00 N ATOM 482 CA ILE A 66 28.687 -4.378 -11.012 1.00 0.00 C ATOM 483 C ILE A 66 27.551 -3.429 -10.618 1.00 0.00 C ATOM 484 O ILE A 66 26.910 -2.834 -11.483 1.00 0.00 O ATOM 485 CB ILE A 66 28.250 -5.848 -10.907 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.339 -6.746 -11.519 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.932 -6.052 -11.667 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.179 -8.184 -11.029 1.00 0.00 C ATOM 0 H ILE A 66 30.085 -4.949 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 66 28.954 -4.174 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 66 28.104 -6.109 -9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.275 -6.716 -12.607 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.325 -6.370 -11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.625 -7.095 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.161 -5.414 -11.235 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.073 -5.791 -12.716 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.956 -8.807 -11.470 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.266 -8.210 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.200 -8.562 -11.324 1.00 0.00 H new ATOM 500 N ALA A 67 27.308 -3.288 -9.309 1.00 0.00 N ATOM 501 CA ALA A 67 26.256 -2.420 -8.801 1.00 0.00 C ATOM 502 C ALA A 67 26.499 -0.975 -9.240 1.00 0.00 C ATOM 503 O ALA A 67 25.550 -0.254 -9.531 1.00 0.00 O ATOM 504 CB ALA A 67 26.204 -2.520 -7.275 1.00 0.00 C ATOM 0 H ALA A 67 27.835 -3.772 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 67 25.297 -2.740 -9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.416 -1.870 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.996 -3.550 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 67 27.162 -2.211 -6.857 1.00 0.00 H new ATOM 510 N ASN A 68 27.771 -0.549 -9.292 1.00 0.00 N ATOM 511 CA ASN A 68 28.104 0.806 -9.715 1.00 0.00 C ATOM 512 C ASN A 68 27.627 1.033 -11.152 1.00 0.00 C ATOM 513 O ASN A 68 27.232 2.145 -11.500 1.00 0.00 O ATOM 514 CB ASN A 68 29.617 1.045 -9.598 1.00 0.00 C ATOM 515 CG ASN A 68 30.081 1.044 -8.140 1.00 0.00 C ATOM 516 OD1 ASN A 68 31.050 0.370 -7.792 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.395 1.804 -7.285 1.00 0.00 N ATOM 0 H ASN A 68 28.576 -1.125 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 68 27.597 1.518 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 68 30.151 0.271 -10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.871 1.999 -10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.668 1.841 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.597 2.348 -7.613 1.00 0.00 H new ATOM 524 N TYR A 69 27.655 -0.019 -11.986 1.00 0.00 N ATOM 525 CA TYR A 69 27.200 0.083 -13.368 1.00 0.00 C ATOM 526 C TYR A 69 25.674 0.012 -13.417 1.00 0.00 C ATOM 527 O TYR A 69 25.048 0.717 -14.207 1.00 0.00 O ATOM 528 CB TYR A 69 27.796 -1.052 -14.208 1.00 0.00 C ATOM 529 CG TYR A 69 29.302 -1.204 -14.099 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.140 -0.073 -14.026 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.864 -2.491 -14.092 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.534 -0.238 -13.945 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.254 -2.653 -14.012 1.00 0.00 C ATOM 534 CZ TYR A 69 32.091 -1.529 -13.939 1.00 0.00 C ATOM 535 OH TYR A 69 33.444 -1.692 -13.867 1.00 0.00 O ATOM 0 H TYR A 69 27.989 -0.946 -11.721 1.00 0.00 H new ATOM 0 HA TYR A 69 27.531 1.037 -13.777 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.328 -1.990 -13.909 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.537 -0.885 -15.254 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.712 0.919 -14.032 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.223 -3.359 -14.148 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.177 0.628 -13.887 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.682 -3.645 -14.007 1.00 0.00 H new ATOM 0 HH TYR A 69 33.660 -2.648 -13.889 1.00 0.00 H new ATOM 545 N LEU A 70 25.081 -0.849 -12.572 1.00 0.00 N ATOM 546 CA LEU A 70 23.633 -1.036 -12.524 1.00 0.00 C ATOM 547 C LEU A 70 23.098 -0.631 -11.144 1.00 0.00 C ATOM 548 O LEU A 70 22.871 -1.497 -10.303 1.00 0.00 O ATOM 549 CB LEU A 70 23.312 -2.514 -12.799 1.00 0.00 C ATOM 550 CG LEU A 70 23.610 -2.870 -14.263 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.819 -4.382 -14.384 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.435 -2.450 -15.153 1.00 0.00 C ATOM 0 H LEU A 70 25.595 -1.429 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 70 23.157 -0.411 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.902 -3.149 -12.138 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.263 -2.711 -12.578 1.00 0.00 H new ATOM 0 HG LEU A 70 24.510 -2.344 -14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.031 -4.638 -15.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.658 -4.685 -13.757 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.917 -4.901 -14.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.654 -2.706 -16.190 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.532 -2.971 -14.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.282 -1.374 -15.069 1.00 0.00 H new ATOM 564 N PRO A 71 22.882 0.680 -10.900 1.00 0.00 N ATOM 565 CA PRO A 71 22.367 1.158 -9.630 1.00 0.00 C ATOM 566 C PRO A 71 21.009 0.521 -9.320 1.00 0.00 C ATOM 567 O PRO A 71 20.697 0.257 -8.160 1.00 0.00 O ATOM 568 CB PRO A 71 22.251 2.679 -9.768 1.00 0.00 C ATOM 569 CG PRO A 71 22.693 3.035 -11.193 1.00 0.00 C ATOM 570 CD PRO A 71 23.136 1.733 -11.860 1.00 0.00 C ATOM 0 HA PRO A 71 23.025 0.890 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.227 3.005 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.879 3.182 -9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.874 3.494 -11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.510 3.757 -11.175 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.582 1.560 -12.783 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.193 1.771 -12.125 1.00 0.00 H new ATOM 578 N ASN A 72 20.206 0.276 -10.365 1.00 0.00 N ATOM 579 CA ASN A 72 18.889 -0.330 -10.212 1.00 0.00 C ATOM 580 C ASN A 72 19.009 -1.729 -9.601 1.00 0.00 C ATOM 581 O ASN A 72 18.086 -2.189 -8.930 1.00 0.00 O ATOM 582 CB ASN A 72 18.203 -0.402 -11.580 1.00 0.00 C ATOM 583 CG ASN A 72 18.032 0.990 -12.181 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.182 1.758 -11.740 1.00 0.00 O ATOM 585 ND2 ASN A 72 18.843 1.315 -13.189 1.00 0.00 N ATOM 0 H ASN A 72 20.454 0.493 -11.330 1.00 0.00 H new ATOM 0 HA ASN A 72 18.289 0.282 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.793 -1.023 -12.254 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.229 -0.880 -11.477 1.00 0.00 H new ATOM 0 HD21 ASN A 72 18.771 2.234 -13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.535 0.645 -13.523 1.00 0.00 H new ATOM 592 N ARG A 73 20.149 -2.401 -9.839 1.00 0.00 N ATOM 593 CA ARG A 73 20.395 -3.740 -9.320 1.00 0.00 C ATOM 594 C ARG A 73 21.599 -3.697 -8.381 1.00 0.00 C ATOM 595 O ARG A 73 22.733 -3.897 -8.812 1.00 0.00 O ATOM 596 CB ARG A 73 20.656 -4.705 -10.485 1.00 0.00 C ATOM 597 CG ARG A 73 19.497 -4.674 -11.492 1.00 0.00 C ATOM 598 CD ARG A 73 18.203 -5.163 -10.833 1.00 0.00 C ATOM 599 NE ARG A 73 17.214 -5.521 -11.855 1.00 0.00 N ATOM 600 CZ ARG A 73 16.115 -6.247 -11.599 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.784 -6.550 -10.338 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.349 -6.668 -12.608 1.00 0.00 N ATOM 0 H ARG A 73 20.917 -2.025 -10.395 1.00 0.00 H new ATOM 0 HA ARG A 73 19.524 -4.092 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.585 -4.434 -10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.784 -5.718 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.360 -3.660 -11.868 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.736 -5.302 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.412 -6.027 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.800 -4.385 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 73 17.370 -5.201 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.368 -6.229 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.947 -7.102 -10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.600 -6.438 -13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.513 -7.220 -12.418 1.00 0.00 H new ATOM 616 N THR A 74 21.353 -3.433 -7.093 1.00 0.00 N ATOM 617 CA THR A 74 22.422 -3.347 -6.104 1.00 0.00 C ATOM 618 C THR A 74 23.068 -4.723 -5.890 1.00 0.00 C ATOM 619 O THR A 74 22.684 -5.705 -6.531 1.00 0.00 O ATOM 620 CB THR A 74 21.858 -2.778 -4.791 1.00 0.00 C ATOM 621 OG1 THR A 74 22.924 -2.394 -3.948 1.00 0.00 O ATOM 622 CG2 THR A 74 21.000 -3.826 -4.076 1.00 0.00 C ATOM 0 H THR A 74 20.419 -3.276 -6.715 1.00 0.00 H new ATOM 0 HA THR A 74 23.201 -2.675 -6.466 1.00 0.00 H new ATOM 0 HB THR A 74 21.237 -1.913 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.565 -2.030 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.609 -3.406 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.170 -4.118 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.609 -4.701 -3.849 1.00 0.00 H new ATOM 630 N ASP A 75 24.055 -4.783 -4.983 1.00 0.00 N ATOM 631 CA ASP A 75 24.774 -6.015 -4.680 1.00 0.00 C ATOM 632 C ASP A 75 23.793 -7.149 -4.395 1.00 0.00 C ATOM 633 O ASP A 75 23.847 -8.178 -5.042 1.00 0.00 O ATOM 634 CB ASP A 75 25.696 -5.783 -3.474 1.00 0.00 C ATOM 635 CG ASP A 75 26.041 -7.101 -2.777 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.542 -8.007 -3.477 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.793 -7.175 -1.555 1.00 0.00 O ATOM 0 H ASP A 75 24.371 -3.977 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 75 25.378 -6.300 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.612 -5.292 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.211 -5.111 -2.766 1.00 0.00 H new ATOM 642 N VAL A 76 22.904 -6.956 -3.419 1.00 0.00 N ATOM 643 CA VAL A 76 21.939 -7.978 -3.032 1.00 0.00 C ATOM 644 C VAL A 76 21.180 -8.506 -4.256 1.00 0.00 C ATOM 645 O VAL A 76 21.039 -9.715 -4.418 1.00 0.00 O ATOM 646 CB VAL A 76 20.964 -7.392 -1.998 1.00 0.00 C ATOM 647 CG1 VAL A 76 19.929 -8.451 -1.601 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.736 -6.951 -0.749 1.00 0.00 C ATOM 0 H VAL A 76 22.835 -6.093 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 76 22.471 -8.819 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 76 20.457 -6.533 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.241 -8.030 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.372 -8.764 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.438 -9.313 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.041 -6.536 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.248 -7.810 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.469 -6.192 -1.023 1.00 0.00 H new ATOM 658 N GLN A 77 20.686 -7.600 -5.109 1.00 0.00 N ATOM 659 CA GLN A 77 19.908 -7.983 -6.283 1.00 0.00 C ATOM 660 C GLN A 77 20.756 -8.810 -7.256 1.00 0.00 C ATOM 661 O GLN A 77 20.350 -9.904 -7.648 1.00 0.00 O ATOM 662 CB GLN A 77 19.369 -6.722 -6.968 1.00 0.00 C ATOM 663 CG GLN A 77 18.290 -6.075 -6.091 1.00 0.00 C ATOM 664 CD GLN A 77 17.884 -4.712 -6.645 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.557 -3.717 -6.397 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.784 -4.669 -7.396 1.00 0.00 N ATOM 0 H GLN A 77 20.815 -6.594 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 77 19.070 -8.605 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.181 -6.016 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.954 -6.976 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.417 -6.726 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.662 -5.962 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.256 -5.523 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.471 -3.782 -7.791 1.00 0.00 H new ATOM 675 N CYS A 78 21.926 -8.289 -7.650 1.00 0.00 N ATOM 676 CA CYS A 78 22.807 -8.980 -8.592 1.00 0.00 C ATOM 677 C CYS A 78 23.252 -10.321 -8.013 1.00 0.00 C ATOM 678 O CYS A 78 23.132 -11.357 -8.667 1.00 0.00 O ATOM 679 CB CYS A 78 24.031 -8.107 -8.888 1.00 0.00 C ATOM 680 SG CYS A 78 23.539 -6.732 -9.954 1.00 0.00 S ATOM 0 H CYS A 78 22.282 -7.389 -7.328 1.00 0.00 H new ATOM 0 HA CYS A 78 22.262 -9.163 -9.518 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.455 -7.728 -7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.806 -8.700 -9.374 1.00 0.00 H new ATOM 0 HG CYS A 78 23.261 -5.694 -9.223 1.00 0.00 H new ATOM 686 N GLN A 79 23.770 -10.285 -6.785 1.00 0.00 N ATOM 687 CA GLN A 79 24.256 -11.464 -6.093 1.00 0.00 C ATOM 688 C GLN A 79 23.183 -12.548 -6.076 1.00 0.00 C ATOM 689 O GLN A 79 23.446 -13.678 -6.477 1.00 0.00 O ATOM 690 CB GLN A 79 24.662 -11.061 -4.670 1.00 0.00 C ATOM 691 CG GLN A 79 25.397 -12.214 -3.986 1.00 0.00 C ATOM 692 CD GLN A 79 25.763 -11.866 -2.543 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.658 -12.712 -1.660 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.192 -10.623 -2.300 1.00 0.00 N ATOM 0 H GLN A 79 23.862 -9.425 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 79 25.123 -11.873 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.302 -10.180 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.777 -10.791 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.770 -13.105 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.302 -12.453 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.265 -9.950 -3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.447 -10.348 -1.351 1.00 0.00 H new ATOM 703 N HIS A 80 21.973 -12.204 -5.615 1.00 0.00 N ATOM 704 CA HIS A 80 20.874 -13.154 -5.559 1.00 0.00 C ATOM 705 C HIS A 80 20.577 -13.689 -6.951 1.00 0.00 C ATOM 706 O HIS A 80 20.622 -14.893 -7.171 1.00 0.00 O ATOM 707 CB HIS A 80 19.625 -12.479 -4.983 1.00 0.00 C ATOM 708 CG HIS A 80 19.620 -12.429 -3.480 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.566 -11.885 -2.759 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.513 -12.858 -2.529 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.878 -12.015 -1.456 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.056 -12.603 -1.246 1.00 0.00 N ATOM 0 H HIS A 80 21.739 -11.271 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 80 21.159 -13.984 -4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.555 -11.464 -5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.740 -13.015 -5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.455 -13.335 -2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.235 -11.675 -0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.510 -12.814 -0.357 1.00 0.00 H new ATOM 720 N ARG A 81 20.264 -12.792 -7.889 1.00 0.00 N ATOM 721 CA ARG A 81 19.919 -13.185 -9.244 1.00 0.00 C ATOM 722 C ARG A 81 20.931 -14.190 -9.788 1.00 0.00 C ATOM 723 O ARG A 81 20.544 -15.177 -10.403 1.00 0.00 O ATOM 724 CB ARG A 81 19.857 -11.937 -10.138 1.00 0.00 C ATOM 725 CG ARG A 81 19.530 -12.328 -11.591 1.00 0.00 C ATOM 726 CD ARG A 81 18.210 -13.104 -11.643 1.00 0.00 C ATOM 727 NE ARG A 81 17.706 -13.213 -13.019 1.00 0.00 N ATOM 728 CZ ARG A 81 16.623 -13.942 -13.341 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.977 -14.641 -12.397 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.184 -13.970 -14.604 1.00 0.00 N ATOM 0 H ARG A 81 20.244 -11.785 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 81 18.942 -13.667 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.099 -11.250 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.811 -11.410 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.459 -11.433 -12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.335 -12.937 -12.002 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.356 -14.101 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.468 -12.604 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 81 18.198 -12.715 -13.761 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.307 -14.621 -11.432 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.156 -15.193 -12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.671 -13.438 -15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.362 -14.524 -14.846 1.00 0.00 H new ATOM 744 N TRP A 82 22.225 -13.940 -9.572 1.00 0.00 N ATOM 745 CA TRP A 82 23.254 -14.808 -10.102 1.00 0.00 C ATOM 746 C TRP A 82 23.443 -16.070 -9.250 1.00 0.00 C ATOM 747 O TRP A 82 23.110 -17.169 -9.686 1.00 0.00 O ATOM 748 CB TRP A 82 24.571 -14.053 -10.221 1.00 0.00 C ATOM 749 CG TRP A 82 25.612 -14.842 -10.939 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.570 -15.587 -10.365 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.782 -15.028 -12.373 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.324 -16.230 -11.313 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.881 -15.918 -12.586 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.115 -14.545 -13.523 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.290 -16.306 -13.862 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.527 -14.935 -14.814 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.611 -15.812 -14.981 1.00 0.00 C ATOM 0 H TRP A 82 22.574 -13.146 -9.036 1.00 0.00 H new ATOM 0 HA TRP A 82 22.929 -15.129 -11.092 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.403 -13.114 -10.748 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.933 -13.799 -9.225 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.726 -15.669 -9.299 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.105 -16.853 -11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.280 -13.869 -13.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.123 -16.982 -13.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.005 -14.557 -15.681 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.921 -16.105 -15.973 1.00 0.00 H new ATOM 768 N GLN A 83 24.007 -15.907 -8.049 1.00 0.00 N ATOM 769 CA GLN A 83 24.360 -17.030 -7.185 1.00 0.00 C ATOM 770 C GLN A 83 23.149 -17.901 -6.849 1.00 0.00 C ATOM 771 O GLN A 83 23.284 -19.117 -6.733 1.00 0.00 O ATOM 772 CB GLN A 83 24.996 -16.496 -5.893 1.00 0.00 C ATOM 773 CG GLN A 83 26.302 -15.755 -6.220 1.00 0.00 C ATOM 774 CD GLN A 83 26.958 -15.164 -4.967 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.933 -14.423 -5.073 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.431 -15.485 -3.783 1.00 0.00 N ATOM 0 H GLN A 83 24.230 -14.994 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 83 25.071 -17.657 -7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.303 -15.824 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.197 -17.320 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.997 -16.442 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.097 -14.956 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 83 25.621 -16.103 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 83 26.838 -15.112 -2.925 1.00 0.00 H new ATOM 785 N LYS A 84 21.977 -17.289 -6.673 1.00 0.00 N ATOM 786 CA LYS A 84 20.788 -18.021 -6.269 1.00 0.00 C ATOM 787 C LYS A 84 20.095 -18.695 -7.460 1.00 0.00 C ATOM 788 O LYS A 84 19.348 -19.651 -7.252 1.00 0.00 O ATOM 789 CB LYS A 84 19.825 -17.064 -5.553 1.00 0.00 C ATOM 790 CG LYS A 84 18.966 -17.838 -4.553 1.00 0.00 C ATOM 791 CD LYS A 84 18.021 -16.867 -3.837 1.00 0.00 C ATOM 792 CE LYS A 84 17.205 -17.615 -2.776 1.00 0.00 C ATOM 793 NZ LYS A 84 16.291 -18.593 -3.394 1.00 0.00 N ATOM 0 H LYS A 84 21.831 -16.288 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 84 21.090 -18.817 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.389 -16.287 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.187 -16.564 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.392 -18.608 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.601 -18.346 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.595 -16.067 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.352 -16.399 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.879 -18.127 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.631 -16.901 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.626 -18.947 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.761 -18.135 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.841 -19.388 -3.778 1.00 0.00 H new ATOM 807 N VAL A 85 20.314 -18.215 -8.702 1.00 0.00 N ATOM 808 CA VAL A 85 19.629 -18.799 -9.857 1.00 0.00 C ATOM 809 C VAL A 85 20.255 -18.337 -11.182 1.00 0.00 C ATOM 810 O VAL A 85 19.734 -17.462 -11.857 1.00 0.00 O ATOM 811 CB VAL A 85 18.118 -18.471 -9.769 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.882 -16.965 -9.541 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.391 -18.927 -11.042 1.00 0.00 C ATOM 0 H VAL A 85 20.945 -17.444 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 85 19.748 -19.882 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 85 17.714 -19.013 -8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.811 -16.769 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.357 -16.659 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 85 18.311 -16.400 -10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.331 -18.688 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.814 -18.414 -11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.512 -20.003 -11.164 1.00 0.00 H new ATOM 823 N LEU A 86 21.376 -18.964 -11.550 1.00 0.00 N ATOM 824 CA LEU A 86 22.078 -18.688 -12.809 1.00 0.00 C ATOM 825 C LEU A 86 23.296 -19.602 -12.939 1.00 0.00 C ATOM 826 O LEU A 86 23.569 -20.413 -12.055 1.00 0.00 O ATOM 827 CB LEU A 86 22.514 -17.197 -12.880 1.00 0.00 C ATOM 828 CG LEU A 86 21.997 -16.415 -14.138 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.326 -17.310 -15.189 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.018 -15.316 -13.714 1.00 0.00 C ATOM 0 H LEU A 86 21.825 -19.681 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 86 21.396 -18.885 -13.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.161 -16.688 -11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.603 -17.151 -12.864 1.00 0.00 H new ATOM 0 HG LEU A 86 22.882 -15.983 -14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.995 -16.699 -16.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.039 -18.055 -15.541 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.467 -17.812 -14.744 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.667 -14.781 -14.596 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.168 -15.764 -13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.521 -14.619 -13.044 1.00 0.00 H new