USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 HIS : no HD1:sc= -0.146 X(o=-0.14,f=-0.41) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -160:sc= 0.00549 (180deg=-0.177) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 155:sc= 1.08 (180deg=-0.473) USER MOD Set 2.2: A 57 GLN : amide:sc= 1.07 K(o=2.1,f=-9.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= 2.39 (180deg=1.93) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 1.01 (180deg=1) USER MOD Single : A 58 ASN : amide:sc= 0.765 K(o=0.77,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.947 K(o=0.95,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 77 GLN : amide:sc= 0.731 K(o=0.73,f=-3.5!) USER MOD Single : A 78 CYS SG : rot 92:sc= 0.184 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 83 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.184 -8.132 -12.882 1.00 0.00 N ATOM 90 CA TRP A 43 14.276 -8.202 -13.856 1.00 0.00 C ATOM 91 C TRP A 43 13.752 -8.387 -15.283 1.00 0.00 C ATOM 92 O TRP A 43 12.576 -8.682 -15.496 1.00 0.00 O ATOM 93 CB TRP A 43 15.256 -9.321 -13.474 1.00 0.00 C ATOM 94 CG TRP A 43 16.168 -8.959 -12.355 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.848 -8.943 -11.055 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.553 -8.530 -12.419 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.910 -8.529 -10.293 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.007 -8.252 -11.094 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.474 -8.342 -13.466 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.305 -7.803 -10.830 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.777 -7.880 -13.212 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.194 -7.611 -11.897 1.00 0.00 C ATOM 0 HA TRP A 43 14.809 -7.251 -13.834 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.689 -10.210 -13.196 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.853 -9.584 -14.347 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.882 -9.219 -10.659 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.895 -8.437 -9.277 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.175 -8.556 -14.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.619 -7.606 -9.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.463 -7.731 -14.033 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.197 -7.257 -11.709 1.00 0.00 H new ATOM 113 N THR A 44 14.651 -8.199 -16.259 1.00 0.00 N ATOM 114 CA THR A 44 14.331 -8.336 -17.673 1.00 0.00 C ATOM 115 C THR A 44 15.496 -9.024 -18.379 1.00 0.00 C ATOM 116 O THR A 44 16.610 -9.055 -17.853 1.00 0.00 O ATOM 117 CB THR A 44 14.076 -6.952 -18.287 1.00 0.00 C ATOM 118 OG1 THR A 44 15.235 -6.155 -18.159 1.00 0.00 O ATOM 119 CG2 THR A 44 12.906 -6.266 -17.577 1.00 0.00 C ATOM 0 H THR A 44 15.623 -7.947 -16.081 1.00 0.00 H new ATOM 0 HA THR A 44 13.430 -8.937 -17.793 1.00 0.00 H new ATOM 0 HB THR A 44 13.830 -7.075 -19.342 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.071 -5.273 -18.553 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.735 -5.286 -18.021 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.008 -6.875 -17.684 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.141 -6.149 -16.519 1.00 0.00 H new ATOM 127 N ARG A 45 15.239 -9.573 -19.573 1.00 0.00 N ATOM 128 CA ARG A 45 16.264 -10.262 -20.343 1.00 0.00 C ATOM 129 C ARG A 45 17.456 -9.336 -20.582 1.00 0.00 C ATOM 130 O ARG A 45 18.598 -9.755 -20.445 1.00 0.00 O ATOM 131 CB ARG A 45 15.671 -10.741 -21.673 1.00 0.00 C ATOM 132 CG ARG A 45 16.652 -11.703 -22.356 1.00 0.00 C ATOM 133 CD ARG A 45 16.068 -12.191 -23.684 1.00 0.00 C ATOM 134 NE ARG A 45 16.060 -11.116 -24.684 1.00 0.00 N ATOM 135 CZ ARG A 45 15.677 -11.303 -25.960 1.00 0.00 C ATOM 136 NH1 ARG A 45 15.255 -12.509 -26.366 1.00 0.00 N ATOM 137 NH2 ARG A 45 15.717 -10.283 -26.827 1.00 0.00 N ATOM 0 H ARG A 45 14.324 -9.549 -20.022 1.00 0.00 H new ATOM 0 HA ARG A 45 16.616 -11.129 -19.784 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.718 -11.240 -21.499 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.471 -9.888 -22.322 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.604 -11.201 -22.530 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.854 -12.553 -21.704 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.653 -13.033 -24.055 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.052 -12.554 -23.527 1.00 0.00 H new ATOM 0 HE ARG A 45 16.359 -10.184 -24.398 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.224 -13.287 -25.707 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.965 -12.649 -27.334 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.038 -9.365 -26.520 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.427 -10.424 -27.795 1.00 0.00 H new ATOM 151 N GLU A 46 17.187 -8.073 -20.941 1.00 0.00 N ATOM 152 CA GLU A 46 18.243 -7.104 -21.196 1.00 0.00 C ATOM 153 C GLU A 46 19.132 -6.966 -19.960 1.00 0.00 C ATOM 154 O GLU A 46 20.356 -7.047 -20.060 1.00 0.00 O ATOM 155 CB GLU A 46 17.618 -5.752 -21.561 1.00 0.00 C ATOM 156 CG GLU A 46 18.702 -4.803 -22.085 1.00 0.00 C ATOM 157 CD GLU A 46 18.253 -3.352 -21.977 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.251 -3.019 -22.642 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.922 -2.604 -21.227 1.00 0.00 O ATOM 0 H GLU A 46 16.243 -7.705 -21.059 1.00 0.00 H new ATOM 0 HA GLU A 46 18.858 -7.446 -22.028 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.846 -5.890 -22.318 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.133 -5.317 -20.687 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.622 -4.946 -21.518 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.928 -5.041 -23.124 1.00 0.00 H new ATOM 166 N GLU A 47 18.514 -6.753 -18.794 1.00 0.00 N ATOM 167 CA GLU A 47 19.249 -6.583 -17.553 1.00 0.00 C ATOM 168 C GLU A 47 20.098 -7.824 -17.267 1.00 0.00 C ATOM 169 O GLU A 47 21.246 -7.700 -16.853 1.00 0.00 O ATOM 170 CB GLU A 47 18.266 -6.310 -16.414 1.00 0.00 C ATOM 171 CG GLU A 47 18.931 -5.435 -15.348 1.00 0.00 C ATOM 172 CD GLU A 47 18.696 -3.956 -15.642 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.378 -3.438 -16.555 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.834 -3.373 -14.948 1.00 0.00 O ATOM 0 H GLU A 47 17.501 -6.695 -18.692 1.00 0.00 H new ATOM 0 HA GLU A 47 19.924 -5.732 -17.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.377 -5.813 -16.801 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.938 -7.251 -15.972 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.531 -5.684 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.001 -5.640 -15.318 1.00 0.00 H new ATOM 181 N ASP A 48 19.534 -9.019 -17.494 1.00 0.00 N ATOM 182 CA ASP A 48 20.255 -10.267 -17.268 1.00 0.00 C ATOM 183 C ASP A 48 21.454 -10.359 -18.218 1.00 0.00 C ATOM 184 O ASP A 48 22.547 -10.744 -17.800 1.00 0.00 O ATOM 185 CB ASP A 48 19.310 -11.458 -17.472 1.00 0.00 C ATOM 186 CG ASP A 48 18.236 -11.514 -16.389 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.579 -11.224 -15.222 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.086 -11.853 -16.744 1.00 0.00 O ATOM 0 H ASP A 48 18.580 -9.141 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 48 20.625 -10.288 -16.243 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.837 -11.384 -18.451 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.884 -12.384 -17.464 1.00 0.00 H new ATOM 193 N GLU A 49 21.251 -10.002 -19.495 1.00 0.00 N ATOM 194 CA GLU A 49 22.318 -10.033 -20.488 1.00 0.00 C ATOM 195 C GLU A 49 23.471 -9.141 -20.031 1.00 0.00 C ATOM 196 O GLU A 49 24.629 -9.561 -20.050 1.00 0.00 O ATOM 197 CB GLU A 49 21.776 -9.564 -21.847 1.00 0.00 C ATOM 198 CG GLU A 49 20.958 -10.681 -22.510 1.00 0.00 C ATOM 199 CD GLU A 49 21.854 -11.811 -23.007 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.937 -11.489 -23.545 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.444 -12.977 -22.836 1.00 0.00 O ATOM 0 H GLU A 49 20.351 -9.688 -19.859 1.00 0.00 H new ATOM 0 HA GLU A 49 22.688 -11.053 -20.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.153 -8.680 -21.712 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.603 -9.276 -22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.235 -11.076 -21.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.391 -10.271 -23.345 1.00 0.00 H new ATOM 208 N LYS A 50 23.149 -7.909 -19.617 1.00 0.00 N ATOM 209 CA LYS A 50 24.150 -6.961 -19.148 1.00 0.00 C ATOM 210 C LYS A 50 24.816 -7.486 -17.874 1.00 0.00 C ATOM 211 O LYS A 50 26.028 -7.357 -17.712 1.00 0.00 O ATOM 212 CB LYS A 50 23.481 -5.610 -18.873 1.00 0.00 C ATOM 213 CG LYS A 50 23.026 -4.963 -20.190 1.00 0.00 C ATOM 214 CD LYS A 50 22.387 -3.592 -19.916 1.00 0.00 C ATOM 215 CE LYS A 50 21.182 -3.754 -18.982 1.00 0.00 C ATOM 216 NZ LYS A 50 20.370 -2.528 -18.922 1.00 0.00 N ATOM 0 H LYS A 50 22.194 -7.550 -19.600 1.00 0.00 H new ATOM 0 HA LYS A 50 24.915 -6.836 -19.914 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.625 -5.748 -18.213 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.178 -4.950 -18.357 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.878 -4.848 -20.860 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.310 -5.612 -20.694 1.00 0.00 H new ATOM 0 HD2 LYS A 50 23.120 -2.923 -19.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.072 -3.134 -20.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.564 -4.583 -19.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.529 -4.010 -17.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.851 -2.499 -18.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.991 -1.697 -18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.694 -2.520 -19.712 1.00 0.00 H new ATOM 230 N LEU A 51 24.018 -8.068 -16.968 1.00 0.00 N ATOM 231 CA LEU A 51 24.520 -8.572 -15.700 1.00 0.00 C ATOM 232 C LEU A 51 25.601 -9.622 -15.934 1.00 0.00 C ATOM 233 O LEU A 51 26.717 -9.471 -15.444 1.00 0.00 O ATOM 234 CB LEU A 51 23.355 -9.153 -14.882 1.00 0.00 C ATOM 235 CG LEU A 51 23.863 -9.758 -13.561 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.505 -8.671 -12.696 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.688 -10.377 -12.801 1.00 0.00 C ATOM 0 H LEU A 51 23.015 -8.198 -17.100 1.00 0.00 H new ATOM 0 HA LEU A 51 24.969 -7.753 -15.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.626 -8.370 -14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.842 -9.918 -15.464 1.00 0.00 H new ATOM 0 HG LEU A 51 24.606 -10.524 -13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.861 -9.110 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.344 -8.228 -13.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.768 -7.899 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.046 -10.806 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.947 -9.607 -12.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.233 -11.160 -13.409 1.00 0.00 H new ATOM 249 N LYS A 52 25.278 -10.692 -16.675 1.00 0.00 N ATOM 250 CA LYS A 52 26.242 -11.756 -16.911 1.00 0.00 C ATOM 251 C LYS A 52 27.473 -11.208 -17.634 1.00 0.00 C ATOM 252 O LYS A 52 28.582 -11.643 -17.362 1.00 0.00 O ATOM 253 CB LYS A 52 25.591 -12.928 -17.665 1.00 0.00 C ATOM 254 CG LYS A 52 25.253 -12.569 -19.113 1.00 0.00 C ATOM 255 CD LYS A 52 24.954 -13.856 -19.889 1.00 0.00 C ATOM 256 CE LYS A 52 24.194 -13.528 -21.177 1.00 0.00 C ATOM 257 NZ LYS A 52 24.876 -12.477 -21.953 1.00 0.00 N ATOM 0 H LYS A 52 24.368 -10.835 -17.112 1.00 0.00 H new ATOM 0 HA LYS A 52 26.578 -12.149 -15.951 1.00 0.00 H new ATOM 0 HB2 LYS A 52 26.265 -13.784 -17.653 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.682 -13.231 -17.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.392 -11.902 -19.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.085 -12.037 -19.573 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.885 -14.371 -20.128 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.364 -14.534 -19.272 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.100 -14.428 -21.785 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.183 -13.203 -20.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.363 -12.315 -22.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.898 -11.596 -21.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.849 -12.777 -22.164 1.00 0.00 H new ATOM 271 N LYS A 53 27.284 -10.241 -18.544 1.00 0.00 N ATOM 272 CA LYS A 53 28.399 -9.648 -19.263 1.00 0.00 C ATOM 273 C LYS A 53 29.344 -8.973 -18.266 1.00 0.00 C ATOM 274 O LYS A 53 30.558 -9.151 -18.337 1.00 0.00 O ATOM 275 CB LYS A 53 27.873 -8.637 -20.286 1.00 0.00 C ATOM 276 CG LYS A 53 29.015 -8.212 -21.219 1.00 0.00 C ATOM 277 CD LYS A 53 28.576 -7.039 -22.112 1.00 0.00 C ATOM 278 CE LYS A 53 28.208 -5.804 -21.271 1.00 0.00 C ATOM 279 NZ LYS A 53 29.172 -5.578 -20.176 1.00 0.00 N ATOM 0 H LYS A 53 26.371 -9.861 -18.792 1.00 0.00 H new ATOM 0 HA LYS A 53 28.950 -10.422 -19.797 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.061 -9.078 -20.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.463 -7.766 -19.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.885 -7.922 -20.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.318 -9.055 -21.840 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.380 -6.785 -22.803 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.719 -7.339 -22.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.175 -4.924 -21.913 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.209 -5.933 -20.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.166 -4.573 -19.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 28.905 -6.156 -19.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.126 -5.846 -20.492 1.00 0.00 H new ATOM 293 N LEU A 54 28.781 -8.196 -17.334 1.00 0.00 N ATOM 294 CA LEU A 54 29.571 -7.507 -16.327 1.00 0.00 C ATOM 295 C LEU A 54 30.275 -8.526 -15.430 1.00 0.00 C ATOM 296 O LEU A 54 31.434 -8.331 -15.075 1.00 0.00 O ATOM 297 CB LEU A 54 28.661 -6.589 -15.502 1.00 0.00 C ATOM 298 CG LEU A 54 28.264 -5.357 -16.329 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.029 -4.707 -15.707 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.414 -4.344 -16.348 1.00 0.00 C ATOM 0 H LEU A 54 27.777 -8.033 -17.263 1.00 0.00 H new ATOM 0 HA LEU A 54 30.333 -6.897 -16.813 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.768 -7.132 -15.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.175 -6.276 -14.593 1.00 0.00 H new ATOM 0 HG LEU A 54 28.045 -5.668 -17.350 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.745 -3.832 -16.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.206 -5.422 -15.700 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.254 -4.403 -14.685 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.123 -3.474 -16.937 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.641 -4.033 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.297 -4.804 -16.792 1.00 0.00 H new ATOM 312 N VAL A 55 29.577 -9.612 -15.071 1.00 0.00 N ATOM 313 CA VAL A 55 30.152 -10.661 -14.236 1.00 0.00 C ATOM 314 C VAL A 55 31.315 -11.329 -14.974 1.00 0.00 C ATOM 315 O VAL A 55 32.335 -11.627 -14.371 1.00 0.00 O ATOM 316 CB VAL A 55 29.064 -11.688 -13.875 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.700 -12.933 -13.245 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.083 -11.070 -12.876 1.00 0.00 C ATOM 0 H VAL A 55 28.611 -9.782 -15.350 1.00 0.00 H new ATOM 0 HA VAL A 55 30.536 -10.228 -13.313 1.00 0.00 H new ATOM 0 HB VAL A 55 28.536 -11.973 -14.785 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.920 -13.652 -12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.396 -13.384 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.237 -12.649 -12.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.314 -11.800 -12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.619 -10.779 -11.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.617 -10.191 -13.321 1.00 0.00 H new ATOM 328 N GLU A 56 31.157 -11.560 -16.280 1.00 0.00 N ATOM 329 CA GLU A 56 32.194 -12.189 -17.088 1.00 0.00 C ATOM 330 C GLU A 56 33.438 -11.295 -17.143 1.00 0.00 C ATOM 331 O GLU A 56 34.559 -11.788 -17.034 1.00 0.00 O ATOM 332 CB GLU A 56 31.651 -12.437 -18.502 1.00 0.00 C ATOM 333 CG GLU A 56 30.653 -13.604 -18.490 1.00 0.00 C ATOM 334 CD GLU A 56 29.686 -13.509 -19.669 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.143 -13.065 -20.746 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.507 -13.880 -19.473 1.00 0.00 O ATOM 0 H GLU A 56 30.313 -11.317 -16.799 1.00 0.00 H new ATOM 0 HA GLU A 56 32.477 -13.141 -16.639 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.164 -11.536 -18.875 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.474 -12.660 -19.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 31.193 -14.550 -18.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 30.093 -13.599 -17.555 1.00 0.00 H new ATOM 343 N GLN A 57 33.236 -9.983 -17.323 1.00 0.00 N ATOM 344 CA GLN A 57 34.340 -9.035 -17.435 1.00 0.00 C ATOM 345 C GLN A 57 35.006 -8.792 -16.076 1.00 0.00 C ATOM 346 O GLN A 57 36.190 -9.075 -15.907 1.00 0.00 O ATOM 347 CB GLN A 57 33.816 -7.713 -18.010 1.00 0.00 C ATOM 348 CG GLN A 57 33.473 -7.884 -19.493 1.00 0.00 C ATOM 349 CD GLN A 57 33.013 -6.561 -20.098 1.00 0.00 C ATOM 350 OE1 GLN A 57 31.814 -6.317 -20.232 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.966 -5.705 -20.462 1.00 0.00 N ATOM 0 H GLN A 57 32.312 -9.558 -17.394 1.00 0.00 H new ATOM 0 HA GLN A 57 35.092 -9.455 -18.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.932 -7.393 -17.459 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.567 -6.932 -17.890 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.346 -8.252 -20.033 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.689 -8.633 -19.606 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.948 -5.949 -20.332 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.714 -4.805 -20.870 1.00 0.00 H new ATOM 360 N ASN A 58 34.249 -8.245 -15.117 1.00 0.00 N ATOM 361 CA ASN A 58 34.786 -7.888 -13.805 1.00 0.00 C ATOM 362 C ASN A 58 35.086 -9.129 -12.967 1.00 0.00 C ATOM 363 O ASN A 58 36.007 -9.112 -12.153 1.00 0.00 O ATOM 364 CB ASN A 58 33.780 -6.996 -13.070 1.00 0.00 C ATOM 365 CG ASN A 58 33.540 -5.693 -13.825 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.274 -4.726 -13.647 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.508 -5.668 -14.668 1.00 0.00 N ATOM 0 H ASN A 58 33.256 -8.040 -15.230 1.00 0.00 H new ATOM 0 HA ASN A 58 35.723 -7.351 -13.953 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.837 -7.529 -12.951 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.150 -6.776 -12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.302 -4.821 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.924 -6.496 -14.784 1.00 0.00 H new ATOM 374 N GLY A 59 34.302 -10.194 -13.152 1.00 0.00 N ATOM 375 CA GLY A 59 34.449 -11.412 -12.370 1.00 0.00 C ATOM 376 C GLY A 59 33.421 -11.404 -11.242 1.00 0.00 C ATOM 377 O GLY A 59 32.856 -10.356 -10.925 1.00 0.00 O ATOM 0 H GLY A 59 33.554 -10.231 -13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.305 -12.287 -13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.457 -11.477 -11.961 1.00 0.00 H new ATOM 381 N THR A 60 33.174 -12.567 -10.630 1.00 0.00 N ATOM 382 CA THR A 60 32.206 -12.678 -9.543 1.00 0.00 C ATOM 383 C THR A 60 32.846 -12.226 -8.220 1.00 0.00 C ATOM 384 O THR A 60 32.700 -12.891 -7.195 1.00 0.00 O ATOM 385 CB THR A 60 31.706 -14.133 -9.456 1.00 0.00 C ATOM 386 OG1 THR A 60 31.762 -14.736 -10.733 1.00 0.00 O ATOM 387 CG2 THR A 60 30.269 -14.153 -8.955 1.00 0.00 C ATOM 0 H THR A 60 33.634 -13.444 -10.872 1.00 0.00 H new ATOM 0 HA THR A 60 31.352 -12.029 -9.738 1.00 0.00 H new ATOM 0 HB THR A 60 32.342 -14.686 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.445 -15.661 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.919 -15.184 -8.895 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.222 -13.695 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 60 29.636 -13.594 -9.644 1.00 0.00 H new ATOM 395 N ASP A 61 33.557 -11.087 -8.256 1.00 0.00 N ATOM 396 CA ASP A 61 34.223 -10.538 -7.083 1.00 0.00 C ATOM 397 C ASP A 61 33.262 -9.583 -6.359 1.00 0.00 C ATOM 398 O ASP A 61 32.097 -9.926 -6.154 1.00 0.00 O ATOM 399 CB ASP A 61 35.511 -9.836 -7.541 1.00 0.00 C ATOM 400 CG ASP A 61 36.453 -9.588 -6.369 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.057 -10.579 -5.906 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.548 -8.412 -5.960 1.00 0.00 O ATOM 0 H ASP A 61 33.681 -10.529 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 61 34.496 -11.322 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.013 -10.447 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.261 -8.888 -8.017 1.00 0.00 H new ATOM 407 N ASP A 62 33.739 -8.385 -5.977 1.00 0.00 N ATOM 408 CA ASP A 62 32.902 -7.399 -5.306 1.00 0.00 C ATOM 409 C ASP A 62 31.712 -7.038 -6.191 1.00 0.00 C ATOM 410 O ASP A 62 31.875 -6.420 -7.244 1.00 0.00 O ATOM 411 CB ASP A 62 33.728 -6.146 -4.970 1.00 0.00 C ATOM 412 CG ASP A 62 33.711 -5.869 -3.473 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.559 -6.458 -2.772 1.00 0.00 O ATOM 414 OD2 ASP A 62 32.842 -5.068 -3.058 1.00 0.00 O ATOM 0 H ASP A 62 34.702 -8.085 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 62 32.526 -7.823 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.756 -6.282 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.327 -5.287 -5.507 1.00 0.00 H new ATOM 419 N TRP A 63 30.510 -7.423 -5.753 1.00 0.00 N ATOM 420 CA TRP A 63 29.289 -7.141 -6.489 1.00 0.00 C ATOM 421 C TRP A 63 29.005 -5.637 -6.497 1.00 0.00 C ATOM 422 O TRP A 63 28.196 -5.167 -7.294 1.00 0.00 O ATOM 423 CB TRP A 63 28.140 -7.925 -5.859 1.00 0.00 C ATOM 424 CG TRP A 63 28.197 -9.393 -6.129 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.701 -10.326 -5.304 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.757 -10.122 -7.312 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.620 -11.576 -5.866 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.042 -11.511 -7.121 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.151 -9.755 -8.536 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.746 -12.475 -8.086 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.847 -10.725 -9.512 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.145 -12.081 -9.288 1.00 0.00 C ATOM 0 H TRP A 63 30.363 -7.935 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 63 29.400 -7.454 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.148 -7.762 -4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.195 -7.532 -6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.115 -10.120 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.942 -12.435 -5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.918 -8.718 -8.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.978 -13.515 -7.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.382 -10.425 -10.439 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.911 -12.818 -10.042 1.00 0.00 H new ATOM 443 N LYS A 64 29.681 -4.881 -5.620 1.00 0.00 N ATOM 444 CA LYS A 64 29.535 -3.438 -5.567 1.00 0.00 C ATOM 445 C LYS A 64 29.888 -2.837 -6.930 1.00 0.00 C ATOM 446 O LYS A 64 29.232 -1.904 -7.388 1.00 0.00 O ATOM 447 CB LYS A 64 30.452 -2.888 -4.469 1.00 0.00 C ATOM 448 CG LYS A 64 30.247 -1.379 -4.317 1.00 0.00 C ATOM 449 CD LYS A 64 31.080 -0.870 -3.138 1.00 0.00 C ATOM 450 CE LYS A 64 30.918 0.647 -3.008 1.00 0.00 C ATOM 451 NZ LYS A 64 31.710 1.168 -1.880 1.00 0.00 N ATOM 0 H LYS A 64 30.337 -5.259 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 64 28.505 -3.169 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.241 -3.388 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.493 -3.098 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.541 -0.867 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.192 -1.159 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.762 -1.360 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.130 -1.122 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.234 1.131 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.866 0.893 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 31.583 2.198 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 31.391 0.722 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.716 0.952 -2.033 1.00 0.00 H new ATOM 465 N VAL A 65 30.927 -3.383 -7.578 1.00 0.00 N ATOM 466 CA VAL A 65 31.361 -2.912 -8.886 1.00 0.00 C ATOM 467 C VAL A 65 30.220 -3.068 -9.889 1.00 0.00 C ATOM 468 O VAL A 65 29.883 -2.127 -10.605 1.00 0.00 O ATOM 469 CB VAL A 65 32.595 -3.716 -9.331 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.018 -3.284 -10.737 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.752 -3.471 -8.358 1.00 0.00 C ATOM 0 H VAL A 65 31.481 -4.156 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 65 31.631 -1.857 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 65 32.342 -4.776 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.892 -3.857 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.200 -3.465 -11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.263 -2.222 -10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.623 -4.043 -8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.999 -2.409 -8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.458 -3.786 -7.357 1.00 0.00 H new ATOM 481 N ILE A 66 29.626 -4.264 -9.934 1.00 0.00 N ATOM 482 CA ILE A 66 28.527 -4.551 -10.843 1.00 0.00 C ATOM 483 C ILE A 66 27.347 -3.625 -10.533 1.00 0.00 C ATOM 484 O ILE A 66 26.709 -3.109 -11.449 1.00 0.00 O ATOM 485 CB ILE A 66 28.139 -6.033 -10.707 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.298 -6.906 -11.222 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.874 -6.317 -11.528 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.150 -8.340 -10.719 1.00 0.00 C ATOM 0 H ILE A 66 29.895 -5.051 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 66 28.828 -4.369 -11.875 1.00 0.00 H new ATOM 0 HB ILE A 66 27.942 -6.264 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.312 -6.896 -12.312 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.249 -6.493 -10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.604 -7.368 -11.428 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.056 -5.696 -11.163 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.062 -6.089 -12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.977 -8.944 -11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.159 -8.346 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.208 -8.755 -11.076 1.00 0.00 H new ATOM 500 N ALA A 67 27.063 -3.410 -9.242 1.00 0.00 N ATOM 501 CA ALA A 67 25.971 -2.542 -8.825 1.00 0.00 C ATOM 502 C ALA A 67 26.206 -1.116 -9.330 1.00 0.00 C ATOM 503 O ALA A 67 25.264 -0.440 -9.731 1.00 0.00 O ATOM 504 CB ALA A 67 25.858 -2.565 -7.300 1.00 0.00 C ATOM 0 H ALA A 67 27.581 -3.831 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 67 25.036 -2.903 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.041 -1.916 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.661 -3.583 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.791 -2.212 -6.861 1.00 0.00 H new ATOM 510 N ASN A 68 27.465 -0.659 -9.315 1.00 0.00 N ATOM 511 CA ASN A 68 27.800 0.680 -9.790 1.00 0.00 C ATOM 512 C ASN A 68 27.525 0.785 -11.293 1.00 0.00 C ATOM 513 O ASN A 68 27.162 1.854 -11.778 1.00 0.00 O ATOM 514 CB ASN A 68 29.269 0.995 -9.480 1.00 0.00 C ATOM 515 CG ASN A 68 29.409 1.655 -8.111 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.735 2.835 -8.019 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.162 0.894 -7.046 1.00 0.00 N ATOM 0 H ASN A 68 28.263 -1.199 -8.979 1.00 0.00 H new ATOM 0 HA ASN A 68 27.177 1.411 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.855 0.076 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.674 1.654 -10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.241 1.288 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.894 -0.082 -7.168 1.00 0.00 H new ATOM 524 N TYR A 69 27.691 -0.325 -12.028 1.00 0.00 N ATOM 525 CA TYR A 69 27.442 -0.341 -13.465 1.00 0.00 C ATOM 526 C TYR A 69 25.939 -0.451 -13.739 1.00 0.00 C ATOM 527 O TYR A 69 25.464 0.052 -14.756 1.00 0.00 O ATOM 528 CB TYR A 69 28.191 -1.514 -14.109 1.00 0.00 C ATOM 529 CG TYR A 69 29.665 -1.244 -14.341 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.062 -0.197 -15.195 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.640 -2.044 -13.716 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.426 0.049 -15.420 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.005 -1.796 -13.943 1.00 0.00 C ATOM 534 CZ TYR A 69 32.398 -0.750 -14.794 1.00 0.00 C ATOM 535 OH TYR A 69 33.722 -0.513 -15.014 1.00 0.00 O ATOM 0 H TYR A 69 27.997 -1.220 -11.645 1.00 0.00 H new ATOM 0 HA TYR A 69 27.805 0.590 -13.901 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.088 -2.393 -13.472 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.720 -1.754 -15.062 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.316 0.418 -15.678 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.339 -2.849 -13.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.728 0.853 -16.075 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.752 -2.410 -13.463 1.00 0.00 H new ATOM 0 HH TYR A 69 34.258 -1.155 -14.504 1.00 0.00 H new ATOM 545 N LEU A 70 25.196 -1.106 -12.832 1.00 0.00 N ATOM 546 CA LEU A 70 23.752 -1.273 -12.973 1.00 0.00 C ATOM 547 C LEU A 70 23.034 -0.584 -11.805 1.00 0.00 C ATOM 548 O LEU A 70 22.779 -1.224 -10.785 1.00 0.00 O ATOM 549 CB LEU A 70 23.408 -2.770 -12.989 1.00 0.00 C ATOM 550 CG LEU A 70 23.948 -3.446 -14.260 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.733 -4.957 -14.149 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.208 -2.922 -15.497 1.00 0.00 C ATOM 0 H LEU A 70 25.582 -1.530 -11.988 1.00 0.00 H new ATOM 0 HA LEU A 70 23.424 -0.819 -13.908 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.831 -3.253 -12.108 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.327 -2.899 -12.935 1.00 0.00 H new ATOM 0 HG LEU A 70 25.010 -3.221 -14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.113 -5.445 -15.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.264 -5.337 -13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.668 -5.166 -14.045 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.601 -3.409 -16.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.144 -3.139 -15.404 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.353 -1.845 -15.578 1.00 0.00 H new ATOM 564 N PRO A 71 22.696 0.718 -11.942 1.00 0.00 N ATOM 565 CA PRO A 71 22.000 1.451 -10.903 1.00 0.00 C ATOM 566 C PRO A 71 20.700 0.739 -10.531 1.00 0.00 C ATOM 567 O PRO A 71 20.139 0.013 -11.349 1.00 0.00 O ATOM 568 CB PRO A 71 21.737 2.847 -11.475 1.00 0.00 C ATOM 569 CG PRO A 71 22.434 2.908 -12.840 1.00 0.00 C ATOM 570 CD PRO A 71 22.981 1.508 -13.122 1.00 0.00 C ATOM 0 HA PRO A 71 22.587 1.516 -9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.667 3.026 -11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.125 3.617 -10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.734 3.213 -13.618 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.239 3.643 -12.830 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.508 1.076 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.053 1.541 -13.319 1.00 0.00 H new ATOM 578 N ASN A 72 20.236 0.946 -9.285 1.00 0.00 N ATOM 579 CA ASN A 72 19.014 0.321 -8.756 1.00 0.00 C ATOM 580 C ASN A 72 19.275 -1.150 -8.404 1.00 0.00 C ATOM 581 O ASN A 72 18.762 -1.643 -7.399 1.00 0.00 O ATOM 582 CB ASN A 72 17.840 0.451 -9.745 1.00 0.00 C ATOM 583 CG ASN A 72 17.704 1.882 -10.260 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.907 2.142 -11.443 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.358 2.812 -9.369 1.00 0.00 N ATOM 0 H ASN A 72 20.703 1.556 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 72 18.733 0.850 -7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.992 -0.227 -10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.914 0.149 -9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.252 3.784 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.199 2.552 -8.396 1.00 0.00 H new ATOM 592 N ARG A 73 20.074 -1.851 -9.222 1.00 0.00 N ATOM 593 CA ARG A 73 20.407 -3.242 -8.968 1.00 0.00 C ATOM 594 C ARG A 73 21.507 -3.297 -7.910 1.00 0.00 C ATOM 595 O ARG A 73 22.689 -3.328 -8.242 1.00 0.00 O ATOM 596 CB ARG A 73 20.876 -3.923 -10.268 1.00 0.00 C ATOM 597 CG ARG A 73 19.919 -3.625 -11.429 1.00 0.00 C ATOM 598 CD ARG A 73 18.526 -4.172 -11.127 1.00 0.00 C ATOM 599 NE ARG A 73 17.687 -4.108 -12.325 1.00 0.00 N ATOM 600 CZ ARG A 73 16.508 -4.735 -12.439 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.002 -5.428 -11.409 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.841 -4.664 -13.594 1.00 0.00 N ATOM 0 H ARG A 73 20.498 -1.467 -10.066 1.00 0.00 H new ATOM 0 HA ARG A 73 19.526 -3.773 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.878 -3.577 -10.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.940 -5.000 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.865 -2.549 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.301 -4.072 -12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.599 -5.203 -10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.068 -3.597 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 73 18.018 -3.556 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.515 -5.481 -10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.104 -5.902 -11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.230 -4.137 -14.376 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.943 -5.137 -13.694 1.00 0.00 H new ATOM 616 N THR A 74 21.115 -3.303 -6.630 1.00 0.00 N ATOM 617 CA THR A 74 22.071 -3.342 -5.530 1.00 0.00 C ATOM 618 C THR A 74 22.956 -4.585 -5.645 1.00 0.00 C ATOM 619 O THR A 74 22.619 -5.532 -6.355 1.00 0.00 O ATOM 620 CB THR A 74 21.326 -3.337 -4.189 1.00 0.00 C ATOM 621 OG1 THR A 74 20.430 -4.427 -4.138 1.00 0.00 O ATOM 622 CG2 THR A 74 20.547 -2.028 -4.029 1.00 0.00 C ATOM 0 H THR A 74 20.139 -3.281 -6.336 1.00 0.00 H new ATOM 0 HA THR A 74 22.707 -2.458 -5.580 1.00 0.00 H new ATOM 0 HB THR A 74 22.051 -3.425 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.957 -4.422 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.021 -2.032 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.239 -1.187 -4.058 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.826 -1.932 -4.841 1.00 0.00 H new ATOM 630 N ASP A 75 24.089 -4.573 -4.939 1.00 0.00 N ATOM 631 CA ASP A 75 25.029 -5.683 -4.949 1.00 0.00 C ATOM 632 C ASP A 75 24.321 -6.975 -4.538 1.00 0.00 C ATOM 633 O ASP A 75 24.528 -8.020 -5.154 1.00 0.00 O ATOM 634 CB ASP A 75 26.193 -5.364 -4.000 1.00 0.00 C ATOM 635 CG ASP A 75 25.702 -5.094 -2.580 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.968 -4.094 -2.412 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.068 -5.892 -1.692 1.00 0.00 O ATOM 0 H ASP A 75 24.375 -3.793 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 75 25.424 -5.825 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.895 -6.198 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.737 -4.494 -4.369 1.00 0.00 H new ATOM 642 N VAL A 76 23.479 -6.898 -3.501 1.00 0.00 N ATOM 643 CA VAL A 76 22.736 -8.051 -3.020 1.00 0.00 C ATOM 644 C VAL A 76 21.797 -8.551 -4.118 1.00 0.00 C ATOM 645 O VAL A 76 21.730 -9.751 -4.376 1.00 0.00 O ATOM 646 CB VAL A 76 21.947 -7.662 -1.759 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.153 -8.871 -1.251 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.914 -7.197 -0.665 1.00 0.00 C ATOM 0 H VAL A 76 23.300 -6.039 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 76 23.425 -8.856 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 76 21.260 -6.852 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.595 -8.591 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.458 -9.201 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.840 -9.682 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.350 -6.922 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.605 -8.005 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.476 -6.333 -1.019 1.00 0.00 H new ATOM 658 N GLN A 77 21.069 -7.626 -4.760 1.00 0.00 N ATOM 659 CA GLN A 77 20.125 -7.974 -5.813 1.00 0.00 C ATOM 660 C GLN A 77 20.854 -8.643 -6.983 1.00 0.00 C ATOM 661 O GLN A 77 20.373 -9.636 -7.519 1.00 0.00 O ATOM 662 CB GLN A 77 19.396 -6.707 -6.275 1.00 0.00 C ATOM 663 CG GLN A 77 18.136 -7.083 -7.061 1.00 0.00 C ATOM 664 CD GLN A 77 17.516 -5.857 -7.728 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.120 -5.914 -8.890 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.430 -4.747 -6.994 1.00 0.00 N ATOM 0 H GLN A 77 21.122 -6.627 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 77 19.393 -8.684 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.128 -6.097 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.057 -6.104 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.385 -7.826 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.409 -7.542 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.771 -4.744 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.023 -3.901 -7.394 1.00 0.00 H new ATOM 675 N CYS A 78 22.012 -8.097 -7.375 1.00 0.00 N ATOM 676 CA CYS A 78 22.794 -8.645 -8.478 1.00 0.00 C ATOM 677 C CYS A 78 23.251 -10.061 -8.136 1.00 0.00 C ATOM 678 O CYS A 78 23.064 -10.984 -8.930 1.00 0.00 O ATOM 679 CB CYS A 78 24.008 -7.749 -8.750 1.00 0.00 C ATOM 680 SG CYS A 78 23.457 -6.219 -9.544 1.00 0.00 S ATOM 0 H CYS A 78 22.425 -7.273 -6.939 1.00 0.00 H new ATOM 0 HA CYS A 78 22.174 -8.681 -9.374 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.524 -7.523 -7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.721 -8.268 -9.390 1.00 0.00 H new ATOM 0 HG CYS A 78 23.220 -5.320 -8.636 1.00 0.00 H new ATOM 686 N GLN A 79 23.853 -10.226 -6.952 1.00 0.00 N ATOM 687 CA GLN A 79 24.346 -11.518 -6.506 1.00 0.00 C ATOM 688 C GLN A 79 23.214 -12.542 -6.500 1.00 0.00 C ATOM 689 O GLN A 79 23.351 -13.618 -7.076 1.00 0.00 O ATOM 690 CB GLN A 79 24.955 -11.366 -5.108 1.00 0.00 C ATOM 691 CG GLN A 79 25.553 -12.702 -4.653 1.00 0.00 C ATOM 692 CD GLN A 79 26.412 -12.518 -3.407 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.592 -12.860 -3.408 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.819 -11.976 -2.343 1.00 0.00 N ATOM 0 H GLN A 79 24.007 -9.469 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 79 25.115 -11.875 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.727 -10.597 -5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.191 -11.040 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.752 -13.412 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.156 -13.127 -5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.836 -11.707 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.348 -11.830 -1.483 1.00 0.00 H new ATOM 703 N HIS A 80 22.096 -12.205 -5.846 1.00 0.00 N ATOM 704 CA HIS A 80 20.951 -13.099 -5.760 1.00 0.00 C ATOM 705 C HIS A 80 20.432 -13.436 -7.152 1.00 0.00 C ATOM 706 O HIS A 80 20.200 -14.599 -7.453 1.00 0.00 O ATOM 707 CB HIS A 80 19.844 -12.446 -4.923 1.00 0.00 C ATOM 708 CG HIS A 80 19.918 -12.806 -3.460 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.965 -12.385 -2.541 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.806 -13.556 -2.727 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.324 -12.894 -1.346 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.440 -13.624 -1.392 1.00 0.00 N ATOM 0 H HIS A 80 21.967 -11.313 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 80 21.263 -14.025 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.908 -11.363 -5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.873 -12.748 -5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.682 -14.034 -3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.763 -12.727 -0.439 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.910 -14.113 -0.630 1.00 0.00 H new ATOM 720 N ARG A 81 20.243 -12.424 -8.000 1.00 0.00 N ATOM 721 CA ARG A 81 19.726 -12.643 -9.339 1.00 0.00 C ATOM 722 C ARG A 81 20.581 -13.671 -10.071 1.00 0.00 C ATOM 723 O ARG A 81 20.056 -14.635 -10.611 1.00 0.00 O ATOM 724 CB ARG A 81 19.695 -11.315 -10.108 1.00 0.00 C ATOM 725 CG ARG A 81 19.251 -11.548 -11.564 1.00 0.00 C ATOM 726 CD ARG A 81 17.835 -12.136 -11.598 1.00 0.00 C ATOM 727 NE ARG A 81 17.299 -12.144 -12.965 1.00 0.00 N ATOM 728 CZ ARG A 81 16.055 -12.557 -13.261 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.234 -12.972 -12.285 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.632 -12.555 -14.530 1.00 0.00 N ATOM 0 H ARG A 81 20.442 -11.449 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 81 18.709 -13.030 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.012 -10.620 -9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.683 -10.855 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.275 -10.607 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.946 -12.226 -12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.850 -13.152 -11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.180 -11.553 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 81 17.898 -11.821 -13.725 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.554 -12.974 -11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.290 -13.285 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.254 -12.240 -15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.687 -12.869 -14.753 1.00 0.00 H new ATOM 744 N TRP A 82 21.897 -13.464 -10.101 1.00 0.00 N ATOM 745 CA TRP A 82 22.781 -14.355 -10.823 1.00 0.00 C ATOM 746 C TRP A 82 22.872 -15.732 -10.150 1.00 0.00 C ATOM 747 O TRP A 82 22.515 -16.738 -10.752 1.00 0.00 O ATOM 748 CB TRP A 82 24.170 -13.729 -10.942 1.00 0.00 C ATOM 749 CG TRP A 82 25.147 -14.605 -11.655 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.170 -15.259 -11.088 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.183 -14.981 -13.065 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.837 -16.022 -12.011 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.268 -15.889 -13.262 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.404 -14.665 -14.201 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.561 -16.448 -14.507 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.695 -15.237 -15.459 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.771 -16.123 -15.609 1.00 0.00 C ATOM 0 H TRP A 82 22.366 -12.688 -9.633 1.00 0.00 H new ATOM 0 HA TRP A 82 22.366 -14.504 -11.820 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.090 -12.779 -11.470 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.549 -13.508 -9.944 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.434 -15.194 -10.043 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.645 -16.609 -11.802 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.576 -13.978 -14.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.394 -17.127 -14.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.083 -14.990 -16.314 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.988 -16.553 -16.576 1.00 0.00 H new ATOM 768 N GLN A 83 23.375 -15.773 -8.916 1.00 0.00 N ATOM 769 CA GLN A 83 23.625 -17.030 -8.212 1.00 0.00 C ATOM 770 C GLN A 83 22.344 -17.837 -7.977 1.00 0.00 C ATOM 771 O GLN A 83 22.367 -19.061 -8.082 1.00 0.00 O ATOM 772 CB GLN A 83 24.301 -16.728 -6.865 1.00 0.00 C ATOM 773 CG GLN A 83 25.677 -16.077 -7.079 1.00 0.00 C ATOM 774 CD GLN A 83 26.748 -17.125 -7.378 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.484 -17.531 -6.484 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.837 -17.560 -8.635 1.00 0.00 N ATOM 0 H GLN A 83 23.619 -14.941 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 83 24.276 -17.637 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.668 -16.065 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.415 -17.650 -6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.621 -15.366 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.956 -15.512 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.204 -17.195 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.538 -18.258 -8.885 1.00 0.00 H new ATOM 785 N LYS A 84 21.240 -17.169 -7.631 1.00 0.00 N ATOM 786 CA LYS A 84 20.005 -17.860 -7.270 1.00 0.00 C ATOM 787 C LYS A 84 19.109 -18.151 -8.487 1.00 0.00 C ATOM 788 O LYS A 84 18.029 -18.712 -8.309 1.00 0.00 O ATOM 789 CB LYS A 84 19.252 -17.012 -6.233 1.00 0.00 C ATOM 790 CG LYS A 84 18.516 -17.924 -5.243 1.00 0.00 C ATOM 791 CD LYS A 84 17.491 -17.113 -4.432 1.00 0.00 C ATOM 792 CE LYS A 84 18.174 -15.965 -3.672 1.00 0.00 C ATOM 793 NZ LYS A 84 19.225 -16.464 -2.765 1.00 0.00 N ATOM 0 H LYS A 84 21.179 -16.151 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 84 20.268 -18.830 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 84 19.952 -16.371 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.540 -16.357 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.011 -18.725 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.232 -18.395 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.730 -16.710 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.980 -17.768 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.610 -15.265 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.429 -15.414 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.427 -15.747 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.901 -17.339 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.090 -16.659 -3.309 1.00 0.00 H new ATOM 807 N VAL A 85 19.531 -17.784 -9.714 1.00 0.00 N ATOM 808 CA VAL A 85 18.709 -18.038 -10.905 1.00 0.00 C ATOM 809 C VAL A 85 19.579 -18.500 -12.077 1.00 0.00 C ATOM 810 O VAL A 85 19.397 -19.607 -12.580 1.00 0.00 O ATOM 811 CB VAL A 85 17.908 -16.776 -11.287 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.848 -17.141 -12.331 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.214 -16.184 -10.053 1.00 0.00 C ATOM 0 H VAL A 85 20.420 -17.320 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 85 18.004 -18.836 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 85 18.597 -16.037 -11.695 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.282 -16.250 -12.601 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.335 -17.544 -13.219 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.172 -17.889 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.654 -15.295 -10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.531 -16.921 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.963 -15.915 -9.308 1.00 0.00 H new ATOM 823 N LEU A 86 20.514 -17.651 -12.521 1.00 0.00 N ATOM 824 CA LEU A 86 21.372 -17.974 -13.657 1.00 0.00 C ATOM 825 C LEU A 86 22.380 -19.057 -13.271 1.00 0.00 C ATOM 826 O LEU A 86 22.510 -19.415 -12.101 1.00 0.00 O ATOM 827 CB LEU A 86 22.132 -16.720 -14.122 1.00 0.00 C ATOM 828 CG LEU A 86 21.252 -15.762 -14.954 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.610 -16.501 -16.131 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.175 -15.123 -14.078 1.00 0.00 C ATOM 0 H LEU A 86 20.692 -16.736 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 86 20.742 -18.339 -14.468 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.516 -16.189 -13.251 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.994 -17.023 -14.716 1.00 0.00 H new ATOM 0 HG LEU A 86 21.891 -14.972 -15.350 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.994 -15.808 -16.704 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.390 -16.909 -16.773 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.988 -17.313 -15.755 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.565 -14.451 -14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.543 -15.902 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.647 -14.559 -13.274 1.00 0.00 H new