USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 HIS : no HD1:sc= 0.374 K(o=0.92,f=-1) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 170:sc= 0.547 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.06) USER MOD Single : A 57 GLN : amide:sc= 0.693 K(o=0.69,f=-0.28) USER MOD Single : A 58 ASN : amide:sc= 0.817 X(o=0.82,f=0.49) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= 1.17 (180deg=0.37) USER MOD Single : A 68 ASN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 77 GLN : amide:sc= 0.0641 K(o=0.064,f=-0.46!) USER MOD Single : A 78 CYS SG : rot 91:sc= 0.749 USER MOD Single : A 79 GLN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.417 -7.839 -13.276 1.00 0.00 N ATOM 90 CA TRP A 43 14.479 -8.410 -14.084 1.00 0.00 C ATOM 91 C TRP A 43 13.925 -8.929 -15.405 1.00 0.00 C ATOM 92 O TRP A 43 12.798 -9.422 -15.464 1.00 0.00 O ATOM 93 CB TRP A 43 15.156 -9.527 -13.301 1.00 0.00 C ATOM 94 CG TRP A 43 16.102 -9.037 -12.258 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.788 -8.737 -10.988 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.522 -8.746 -12.387 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.896 -8.295 -10.302 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.008 -8.278 -11.127 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.452 -8.822 -13.446 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.345 -7.912 -10.930 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.794 -8.441 -13.259 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.242 -7.990 -12.002 1.00 0.00 C ATOM 0 HA TRP A 43 15.215 -7.640 -14.315 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.391 -10.141 -12.826 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.696 -10.171 -13.996 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.800 -8.830 -10.562 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.898 -8.018 -9.320 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.129 -9.178 -14.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.681 -7.573 -9.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.486 -8.495 -14.086 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.275 -7.705 -11.866 1.00 0.00 H new ATOM 113 N THR A 44 14.728 -8.812 -16.467 1.00 0.00 N ATOM 114 CA THR A 44 14.339 -9.249 -17.798 1.00 0.00 C ATOM 115 C THR A 44 15.599 -9.603 -18.592 1.00 0.00 C ATOM 116 O THR A 44 16.706 -9.268 -18.172 1.00 0.00 O ATOM 117 CB THR A 44 13.543 -8.119 -18.485 1.00 0.00 C ATOM 118 OG1 THR A 44 12.530 -7.657 -17.616 1.00 0.00 O ATOM 119 CG2 THR A 44 12.894 -8.628 -19.776 1.00 0.00 C ATOM 0 H THR A 44 15.665 -8.411 -16.421 1.00 0.00 H new ATOM 0 HA THR A 44 13.704 -10.134 -17.745 1.00 0.00 H new ATOM 0 HB THR A 44 14.231 -7.308 -18.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.027 -6.939 -18.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.337 -7.818 -20.247 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.668 -8.981 -20.458 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.215 -9.448 -19.543 1.00 0.00 H new ATOM 127 N ARG A 45 15.415 -10.279 -19.738 1.00 0.00 N ATOM 128 CA ARG A 45 16.508 -10.686 -20.623 1.00 0.00 C ATOM 129 C ARG A 45 17.570 -9.581 -20.728 1.00 0.00 C ATOM 130 O ARG A 45 18.762 -9.860 -20.626 1.00 0.00 O ATOM 131 CB ARG A 45 15.903 -11.023 -22.003 1.00 0.00 C ATOM 132 CG ARG A 45 16.961 -10.979 -23.119 1.00 0.00 C ATOM 133 CD ARG A 45 18.034 -12.048 -22.894 1.00 0.00 C ATOM 134 NE ARG A 45 19.122 -11.888 -23.870 1.00 0.00 N ATOM 135 CZ ARG A 45 19.110 -12.427 -25.101 1.00 0.00 C ATOM 136 NH1 ARG A 45 18.091 -13.203 -25.500 1.00 0.00 N ATOM 137 NH2 ARG A 45 20.126 -12.180 -25.932 1.00 0.00 N ATOM 0 H ARG A 45 14.494 -10.559 -20.075 1.00 0.00 H new ATOM 0 HA ARG A 45 17.012 -11.564 -20.220 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.452 -12.015 -21.969 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.105 -10.317 -22.232 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.483 -11.135 -24.086 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.424 -9.993 -23.148 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.429 -11.969 -21.881 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.594 -13.041 -22.988 1.00 0.00 H new ATOM 0 HE ARG A 45 19.934 -11.335 -23.596 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.314 -13.390 -24.866 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.094 -13.606 -26.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.900 -11.588 -25.630 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.128 -12.583 -26.869 1.00 0.00 H new ATOM 151 N GLU A 46 17.130 -8.333 -20.934 1.00 0.00 N ATOM 152 CA GLU A 46 18.033 -7.197 -21.067 1.00 0.00 C ATOM 153 C GLU A 46 19.006 -7.145 -19.884 1.00 0.00 C ATOM 154 O GLU A 46 20.216 -7.229 -20.069 1.00 0.00 O ATOM 155 CB GLU A 46 17.194 -5.911 -21.150 1.00 0.00 C ATOM 156 CG GLU A 46 18.102 -4.682 -21.305 1.00 0.00 C ATOM 157 CD GLU A 46 18.896 -4.739 -22.605 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.256 -4.968 -23.653 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.129 -4.548 -22.524 1.00 0.00 O ATOM 0 H GLU A 46 16.143 -8.090 -21.012 1.00 0.00 H new ATOM 0 HA GLU A 46 18.628 -7.299 -21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.508 -5.972 -21.995 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.585 -5.809 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.497 -3.776 -21.286 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.788 -4.625 -20.460 1.00 0.00 H new ATOM 166 N GLU A 47 18.473 -6.999 -18.670 1.00 0.00 N ATOM 167 CA GLU A 47 19.294 -6.894 -17.472 1.00 0.00 C ATOM 168 C GLU A 47 20.114 -8.172 -17.258 1.00 0.00 C ATOM 169 O GLU A 47 21.256 -8.104 -16.812 1.00 0.00 O ATOM 170 CB GLU A 47 18.384 -6.636 -16.264 1.00 0.00 C ATOM 171 CG GLU A 47 19.153 -5.883 -15.171 1.00 0.00 C ATOM 172 CD GLU A 47 19.067 -4.378 -15.384 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.091 -3.789 -14.864 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.973 -3.844 -16.057 1.00 0.00 O ATOM 0 H GLU A 47 17.469 -6.951 -18.494 1.00 0.00 H new ATOM 0 HA GLU A 47 19.993 -6.066 -17.589 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.514 -6.056 -16.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.013 -7.582 -15.871 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.747 -6.140 -14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.197 -6.196 -15.174 1.00 0.00 H new ATOM 181 N ASP A 48 19.525 -9.334 -17.562 1.00 0.00 N ATOM 182 CA ASP A 48 20.179 -10.619 -17.342 1.00 0.00 C ATOM 183 C ASP A 48 21.448 -10.761 -18.188 1.00 0.00 C ATOM 184 O ASP A 48 22.508 -11.079 -17.649 1.00 0.00 O ATOM 185 CB ASP A 48 19.194 -11.753 -17.648 1.00 0.00 C ATOM 186 CG ASP A 48 18.127 -11.868 -16.561 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.507 -11.791 -15.372 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.945 -12.036 -16.932 1.00 0.00 O ATOM 0 H ASP A 48 18.590 -9.405 -17.964 1.00 0.00 H new ATOM 0 HA ASP A 48 20.483 -10.675 -16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.717 -11.573 -18.612 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.735 -12.696 -17.731 1.00 0.00 H new ATOM 193 N GLU A 49 21.361 -10.544 -19.509 1.00 0.00 N ATOM 194 CA GLU A 49 22.528 -10.706 -20.372 1.00 0.00 C ATOM 195 C GLU A 49 23.586 -9.651 -20.039 1.00 0.00 C ATOM 196 O GLU A 49 24.783 -9.934 -20.105 1.00 0.00 O ATOM 197 CB GLU A 49 22.123 -10.673 -21.856 1.00 0.00 C ATOM 198 CG GLU A 49 21.777 -9.252 -22.318 1.00 0.00 C ATOM 199 CD GLU A 49 21.545 -9.213 -23.825 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.270 -10.298 -24.389 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.649 -8.103 -24.386 1.00 0.00 O ATOM 0 H GLU A 49 20.508 -10.261 -19.991 1.00 0.00 H new ATOM 0 HA GLU A 49 22.970 -11.685 -20.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.938 -11.065 -22.464 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.265 -11.326 -22.014 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.884 -8.904 -21.799 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.586 -8.571 -22.052 1.00 0.00 H new ATOM 208 N LYS A 50 23.153 -8.437 -19.670 1.00 0.00 N ATOM 209 CA LYS A 50 24.081 -7.378 -19.307 1.00 0.00 C ATOM 210 C LYS A 50 24.803 -7.776 -18.022 1.00 0.00 C ATOM 211 O LYS A 50 26.017 -7.617 -17.920 1.00 0.00 O ATOM 212 CB LYS A 50 23.326 -6.054 -19.134 1.00 0.00 C ATOM 213 CG LYS A 50 22.714 -5.609 -20.473 1.00 0.00 C ATOM 214 CD LYS A 50 23.793 -5.026 -21.391 1.00 0.00 C ATOM 215 CE LYS A 50 23.149 -4.593 -22.711 1.00 0.00 C ATOM 216 NZ LYS A 50 24.168 -4.253 -23.717 1.00 0.00 N ATOM 0 H LYS A 50 22.169 -8.173 -19.618 1.00 0.00 H new ATOM 0 HA LYS A 50 24.818 -7.237 -20.097 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.540 -6.171 -18.388 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.005 -5.286 -18.764 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.234 -6.458 -20.960 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.939 -4.864 -20.295 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.275 -4.174 -20.911 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.569 -5.768 -21.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.515 -5.395 -23.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.504 -3.732 -22.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.701 -3.964 -24.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.757 -3.472 -23.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.767 -5.083 -23.898 1.00 0.00 H new ATOM 230 N LEU A 51 24.053 -8.307 -17.048 1.00 0.00 N ATOM 231 CA LEU A 51 24.622 -8.768 -15.793 1.00 0.00 C ATOM 232 C LEU A 51 25.677 -9.834 -16.085 1.00 0.00 C ATOM 233 O LEU A 51 26.798 -9.749 -15.592 1.00 0.00 O ATOM 234 CB LEU A 51 23.495 -9.325 -14.903 1.00 0.00 C ATOM 235 CG LEU A 51 24.067 -9.977 -13.633 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.742 -8.920 -12.761 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.930 -10.631 -12.845 1.00 0.00 C ATOM 0 H LEU A 51 23.042 -8.425 -17.115 1.00 0.00 H new ATOM 0 HA LEU A 51 25.102 -7.945 -15.264 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.813 -8.521 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.914 -10.058 -15.462 1.00 0.00 H new ATOM 0 HG LEU A 51 24.803 -10.729 -13.917 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.144 -9.391 -11.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.553 -8.451 -13.319 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.012 -8.162 -12.477 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.331 -11.094 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.197 -9.874 -12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.451 -11.392 -13.461 1.00 0.00 H new ATOM 249 N LYS A 52 25.310 -10.834 -16.897 1.00 0.00 N ATOM 250 CA LYS A 52 26.218 -11.910 -17.264 1.00 0.00 C ATOM 251 C LYS A 52 27.513 -11.335 -17.837 1.00 0.00 C ATOM 252 O LYS A 52 28.602 -11.746 -17.443 1.00 0.00 O ATOM 253 CB LYS A 52 25.533 -12.821 -18.289 1.00 0.00 C ATOM 254 CG LYS A 52 26.464 -13.982 -18.655 1.00 0.00 C ATOM 255 CD LYS A 52 25.716 -14.982 -19.540 1.00 0.00 C ATOM 256 CE LYS A 52 26.667 -16.109 -19.956 1.00 0.00 C ATOM 257 NZ LYS A 52 25.984 -17.084 -20.826 1.00 0.00 N ATOM 0 H LYS A 52 24.381 -10.913 -17.311 1.00 0.00 H new ATOM 0 HA LYS A 52 26.468 -12.494 -16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.599 -13.207 -17.880 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.278 -12.251 -19.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.343 -13.605 -19.178 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.818 -14.476 -17.750 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.862 -15.393 -19.001 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.323 -14.479 -20.424 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.527 -15.690 -20.479 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.049 -16.613 -19.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.650 -17.837 -21.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.178 -17.499 -20.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.641 -16.604 -21.683 1.00 0.00 H new ATOM 271 N LYS A 53 27.393 -10.386 -18.773 1.00 0.00 N ATOM 272 CA LYS A 53 28.555 -9.783 -19.405 1.00 0.00 C ATOM 273 C LYS A 53 29.388 -9.011 -18.380 1.00 0.00 C ATOM 274 O LYS A 53 30.611 -9.046 -18.431 1.00 0.00 O ATOM 275 CB LYS A 53 28.101 -8.857 -20.543 1.00 0.00 C ATOM 276 CG LYS A 53 27.713 -9.686 -21.778 1.00 0.00 C ATOM 277 CD LYS A 53 28.878 -9.731 -22.783 1.00 0.00 C ATOM 278 CE LYS A 53 30.086 -10.441 -22.162 1.00 0.00 C ATOM 279 NZ LYS A 53 31.155 -10.659 -23.150 1.00 0.00 N ATOM 0 H LYS A 53 26.499 -10.024 -19.104 1.00 0.00 H new ATOM 0 HA LYS A 53 29.182 -10.572 -19.819 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.251 -8.257 -20.217 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.902 -8.163 -20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.447 -10.699 -21.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.832 -9.253 -22.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.567 -10.252 -23.688 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.154 -8.718 -23.077 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.471 -9.847 -21.334 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.772 -11.399 -21.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 31.988 -11.064 -22.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.821 -11.315 -23.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.413 -9.752 -23.588 1.00 0.00 H new ATOM 293 N LEU A 54 28.736 -8.313 -17.453 1.00 0.00 N ATOM 294 CA LEU A 54 29.444 -7.536 -16.447 1.00 0.00 C ATOM 295 C LEU A 54 30.194 -8.458 -15.482 1.00 0.00 C ATOM 296 O LEU A 54 31.258 -8.091 -14.990 1.00 0.00 O ATOM 297 CB LEU A 54 28.450 -6.653 -15.688 1.00 0.00 C ATOM 298 CG LEU A 54 28.002 -5.480 -16.573 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.713 -4.887 -16.009 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.085 -4.398 -16.595 1.00 0.00 C ATOM 0 H LEU A 54 27.719 -8.272 -17.380 1.00 0.00 H new ATOM 0 HA LEU A 54 30.178 -6.900 -16.941 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.584 -7.243 -15.387 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.911 -6.275 -14.776 1.00 0.00 H new ATOM 0 HG LEU A 54 27.833 -5.841 -17.587 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.392 -4.054 -16.634 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.936 -5.652 -15.996 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.890 -4.532 -14.994 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.759 -3.570 -17.225 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.259 -4.037 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.009 -4.816 -16.995 1.00 0.00 H new ATOM 312 N VAL A 55 29.643 -9.646 -15.206 1.00 0.00 N ATOM 313 CA VAL A 55 30.262 -10.590 -14.282 1.00 0.00 C ATOM 314 C VAL A 55 31.623 -11.057 -14.811 1.00 0.00 C ATOM 315 O VAL A 55 32.607 -11.029 -14.075 1.00 0.00 O ATOM 316 CB VAL A 55 29.313 -11.782 -14.054 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.080 -12.967 -13.456 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.201 -11.370 -13.085 1.00 0.00 C ATOM 0 H VAL A 55 28.767 -9.973 -15.613 1.00 0.00 H new ATOM 0 HA VAL A 55 30.437 -10.094 -13.327 1.00 0.00 H new ATOM 0 HB VAL A 55 28.886 -12.077 -15.012 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.396 -13.802 -13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.873 -13.270 -14.140 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.517 -12.673 -12.502 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.529 -12.213 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.640 -11.068 -12.134 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.641 -10.535 -13.507 1.00 0.00 H new ATOM 328 N GLU A 56 31.685 -11.496 -16.076 1.00 0.00 N ATOM 329 CA GLU A 56 32.931 -12.004 -16.647 1.00 0.00 C ATOM 330 C GLU A 56 33.970 -10.883 -16.807 1.00 0.00 C ATOM 331 O GLU A 56 35.168 -11.146 -16.732 1.00 0.00 O ATOM 332 CB GLU A 56 32.657 -12.695 -17.996 1.00 0.00 C ATOM 333 CG GLU A 56 31.903 -11.757 -18.942 1.00 0.00 C ATOM 334 CD GLU A 56 32.100 -12.164 -20.395 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.553 -13.220 -20.771 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.792 -11.400 -21.111 1.00 0.00 O ATOM 0 H GLU A 56 30.891 -11.508 -16.716 1.00 0.00 H new ATOM 0 HA GLU A 56 33.346 -12.739 -15.957 1.00 0.00 H new ATOM 0 HB2 GLU A 56 33.599 -12.999 -18.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.074 -13.602 -17.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.840 -11.769 -18.699 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.251 -10.734 -18.798 1.00 0.00 H new ATOM 343 N GLN A 57 33.519 -9.640 -17.033 1.00 0.00 N ATOM 344 CA GLN A 57 34.428 -8.519 -17.236 1.00 0.00 C ATOM 345 C GLN A 57 34.964 -8.010 -15.896 1.00 0.00 C ATOM 346 O GLN A 57 36.176 -7.948 -15.703 1.00 0.00 O ATOM 347 CB GLN A 57 33.704 -7.396 -17.993 1.00 0.00 C ATOM 348 CG GLN A 57 33.397 -7.835 -19.434 1.00 0.00 C ATOM 349 CD GLN A 57 34.673 -8.160 -20.205 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.586 -7.342 -20.271 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.737 -9.359 -20.791 1.00 0.00 N ATOM 0 H GLN A 57 32.530 -9.393 -17.078 1.00 0.00 H new ATOM 0 HA GLN A 57 35.277 -8.855 -17.831 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.778 -7.140 -17.479 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.322 -6.498 -18.003 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.748 -8.710 -19.418 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.852 -7.043 -19.948 1.00 0.00 H new ATOM 0 HE21 GLN A 57 33.955 -10.008 -20.711 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.568 -9.625 -21.319 1.00 0.00 H new ATOM 360 N ASN A 58 34.066 -7.640 -14.974 1.00 0.00 N ATOM 361 CA ASN A 58 34.469 -7.117 -13.673 1.00 0.00 C ATOM 362 C ASN A 58 34.974 -8.256 -12.791 1.00 0.00 C ATOM 363 O ASN A 58 36.160 -8.318 -12.474 1.00 0.00 O ATOM 364 CB ASN A 58 33.286 -6.402 -13.006 1.00 0.00 C ATOM 365 CG ASN A 58 32.882 -5.157 -13.788 1.00 0.00 C ATOM 366 OD1 ASN A 58 33.453 -4.088 -13.595 1.00 0.00 O ATOM 367 ND2 ASN A 58 31.894 -5.296 -14.671 1.00 0.00 N ATOM 0 H ASN A 58 33.057 -7.695 -15.110 1.00 0.00 H new ATOM 0 HA ASN A 58 35.276 -6.397 -13.809 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.438 -7.083 -12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.554 -6.123 -11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.584 -4.494 -15.220 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.448 -6.204 -14.798 1.00 0.00 H new ATOM 374 N GLY A 59 34.068 -9.152 -12.397 1.00 0.00 N ATOM 375 CA GLY A 59 34.406 -10.280 -11.549 1.00 0.00 C ATOM 376 C GLY A 59 33.143 -10.821 -10.889 1.00 0.00 C ATOM 377 O GLY A 59 32.092 -10.184 -10.940 1.00 0.00 O ATOM 0 H GLY A 59 33.083 -9.110 -12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.883 -11.062 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.123 -9.973 -10.788 1.00 0.00 H new ATOM 381 N THR A 60 33.245 -11.999 -10.270 1.00 0.00 N ATOM 382 CA THR A 60 32.110 -12.630 -9.617 1.00 0.00 C ATOM 383 C THR A 60 31.876 -12.006 -8.242 1.00 0.00 C ATOM 384 O THR A 60 30.745 -11.681 -7.896 1.00 0.00 O ATOM 385 CB THR A 60 32.376 -14.135 -9.489 1.00 0.00 C ATOM 386 OG1 THR A 60 33.669 -14.346 -8.960 1.00 0.00 O ATOM 387 CG2 THR A 60 32.278 -14.797 -10.865 1.00 0.00 C ATOM 0 H THR A 60 34.111 -12.534 -10.211 1.00 0.00 H new ATOM 0 HA THR A 60 31.212 -12.474 -10.215 1.00 0.00 H new ATOM 0 HB THR A 60 31.633 -14.573 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.836 -15.308 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 60 32.468 -15.866 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 60 31.280 -14.641 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 60 33.017 -14.356 -11.534 1.00 0.00 H new ATOM 395 N ASP A 61 32.948 -11.848 -7.459 1.00 0.00 N ATOM 396 CA ASP A 61 32.851 -11.302 -6.111 1.00 0.00 C ATOM 397 C ASP A 61 32.625 -9.786 -6.147 1.00 0.00 C ATOM 398 O ASP A 61 32.147 -9.213 -5.168 1.00 0.00 O ATOM 399 CB ASP A 61 34.134 -11.639 -5.347 1.00 0.00 C ATOM 400 CG ASP A 61 33.986 -11.317 -3.865 1.00 0.00 C ATOM 401 OD1 ASP A 61 33.165 -12.002 -3.216 1.00 0.00 O ATOM 402 OD2 ASP A 61 34.695 -10.395 -3.408 1.00 0.00 O ATOM 0 H ASP A 61 33.896 -12.094 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 61 31.995 -11.747 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 61 34.369 -12.696 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.969 -11.076 -5.764 1.00 0.00 H new ATOM 407 N ASP A 62 32.970 -9.139 -7.272 1.00 0.00 N ATOM 408 CA ASP A 62 32.823 -7.695 -7.422 1.00 0.00 C ATOM 409 C ASP A 62 31.358 -7.326 -7.681 1.00 0.00 C ATOM 410 O ASP A 62 31.043 -6.669 -8.675 1.00 0.00 O ATOM 411 CB ASP A 62 33.711 -7.222 -8.579 1.00 0.00 C ATOM 412 CG ASP A 62 35.169 -7.591 -8.337 1.00 0.00 C ATOM 413 OD1 ASP A 62 35.508 -8.767 -8.599 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.916 -6.692 -7.895 1.00 0.00 O ATOM 0 H ASP A 62 33.355 -9.604 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 62 33.133 -7.201 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 62 33.369 -7.671 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.620 -6.142 -8.693 1.00 0.00 H new ATOM 419 N TRP A 63 30.462 -7.741 -6.781 1.00 0.00 N ATOM 420 CA TRP A 63 29.046 -7.453 -6.912 1.00 0.00 C ATOM 421 C TRP A 63 28.790 -5.963 -6.714 1.00 0.00 C ATOM 422 O TRP A 63 27.896 -5.405 -7.340 1.00 0.00 O ATOM 423 CB TRP A 63 28.258 -8.279 -5.892 1.00 0.00 C ATOM 424 CG TRP A 63 28.202 -9.744 -6.192 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.552 -10.732 -5.350 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.772 -10.413 -7.416 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.380 -11.962 -5.937 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.898 -11.827 -7.226 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.290 -9.978 -8.674 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.570 -12.748 -8.224 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.958 -10.906 -9.681 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.100 -12.286 -9.458 1.00 0.00 C ATOM 0 H TRP A 63 30.703 -8.281 -5.950 1.00 0.00 H new ATOM 0 HA TRP A 63 28.714 -7.723 -7.914 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.704 -8.139 -4.907 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.240 -7.893 -5.839 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.919 -10.579 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.581 -12.853 -5.484 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.175 -8.921 -8.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.678 -13.807 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.591 -10.553 -10.633 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.847 -12.989 -10.238 1.00 0.00 H new ATOM 443 N LYS A 64 29.573 -5.318 -5.843 1.00 0.00 N ATOM 444 CA LYS A 64 29.412 -3.897 -5.577 1.00 0.00 C ATOM 445 C LYS A 64 29.730 -3.093 -6.839 1.00 0.00 C ATOM 446 O LYS A 64 29.058 -2.105 -7.131 1.00 0.00 O ATOM 447 CB LYS A 64 30.315 -3.491 -4.410 1.00 0.00 C ATOM 448 CG LYS A 64 29.829 -2.157 -3.827 1.00 0.00 C ATOM 449 CD LYS A 64 30.591 -1.827 -2.532 1.00 0.00 C ATOM 450 CE LYS A 64 30.151 -2.748 -1.379 1.00 0.00 C ATOM 451 NZ LYS A 64 28.696 -2.672 -1.139 1.00 0.00 N ATOM 0 H LYS A 64 30.323 -5.763 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 64 28.380 -3.686 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.302 -4.263 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.346 -3.397 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.976 -1.360 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.759 -2.210 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.663 -1.936 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.415 -0.787 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.428 -3.777 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.684 -2.471 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 28.511 -2.701 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.325 -1.784 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.226 -3.478 -1.599 1.00 0.00 H new ATOM 465 N VAL A 65 30.749 -3.521 -7.596 1.00 0.00 N ATOM 466 CA VAL A 65 31.118 -2.849 -8.832 1.00 0.00 C ATOM 467 C VAL A 65 29.974 -3.001 -9.830 1.00 0.00 C ATOM 468 O VAL A 65 29.503 -2.016 -10.397 1.00 0.00 O ATOM 469 CB VAL A 65 32.417 -3.456 -9.387 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.839 -2.702 -10.652 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.530 -3.348 -8.340 1.00 0.00 C ATOM 0 H VAL A 65 31.327 -4.330 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 65 31.294 -1.789 -8.649 1.00 0.00 H new ATOM 0 HB VAL A 65 32.245 -4.505 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.760 -3.134 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.053 -2.782 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.005 -1.652 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.448 -3.780 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.699 -2.299 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.236 -3.888 -7.440 1.00 0.00 H new ATOM 481 N ILE A 66 29.526 -4.245 -10.031 1.00 0.00 N ATOM 482 CA ILE A 66 28.429 -4.545 -10.938 1.00 0.00 C ATOM 483 C ILE A 66 27.197 -3.719 -10.554 1.00 0.00 C ATOM 484 O ILE A 66 26.512 -3.184 -11.423 1.00 0.00 O ATOM 485 CB ILE A 66 28.125 -6.052 -10.871 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.293 -6.836 -11.489 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.834 -6.358 -11.637 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.205 -8.313 -11.109 1.00 0.00 C ATOM 0 H ILE A 66 29.917 -5.065 -9.568 1.00 0.00 H new ATOM 0 HA ILE A 66 28.705 -4.284 -11.960 1.00 0.00 H new ATOM 0 HB ILE A 66 27.998 -6.349 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.275 -6.732 -12.574 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.240 -6.421 -11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.625 -7.427 -11.585 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.007 -5.805 -11.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 26.950 -6.061 -12.679 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.040 -8.854 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.246 -8.413 -10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.266 -8.728 -11.476 1.00 0.00 H new ATOM 500 N ALA A 67 26.921 -3.621 -9.251 1.00 0.00 N ATOM 501 CA ALA A 67 25.771 -2.888 -8.751 1.00 0.00 C ATOM 502 C ALA A 67 25.848 -1.418 -9.151 1.00 0.00 C ATOM 503 O ALA A 67 24.866 -0.858 -9.630 1.00 0.00 O ATOM 504 CB ALA A 67 25.712 -3.024 -7.228 1.00 0.00 C ATOM 0 H ALA A 67 27.491 -4.048 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 67 24.865 -3.305 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.851 -2.476 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.620 -4.077 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.624 -2.617 -6.791 1.00 0.00 H new ATOM 510 N ASN A 68 27.014 -0.795 -8.951 1.00 0.00 N ATOM 511 CA ASN A 68 27.202 0.613 -9.279 1.00 0.00 C ATOM 512 C ASN A 68 27.138 0.826 -10.794 1.00 0.00 C ATOM 513 O ASN A 68 26.796 1.916 -11.248 1.00 0.00 O ATOM 514 CB ASN A 68 28.548 1.094 -8.724 1.00 0.00 C ATOM 515 CG ASN A 68 28.418 1.511 -7.262 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.366 2.699 -6.957 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.364 0.534 -6.356 1.00 0.00 N ATOM 0 H ASN A 68 27.841 -1.249 -8.562 1.00 0.00 H new ATOM 0 HA ASN A 68 26.401 1.194 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.288 0.299 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.910 1.935 -9.315 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.276 0.761 -5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.411 -0.441 -6.653 1.00 0.00 H new ATOM 524 N TYR A 69 27.471 -0.209 -11.575 1.00 0.00 N ATOM 525 CA TYR A 69 27.466 -0.112 -13.030 1.00 0.00 C ATOM 526 C TYR A 69 26.034 -0.241 -13.559 1.00 0.00 C ATOM 527 O TYR A 69 25.649 0.476 -14.481 1.00 0.00 O ATOM 528 CB TYR A 69 28.359 -1.214 -13.621 1.00 0.00 C ATOM 529 CG TYR A 69 29.854 -0.908 -13.598 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.417 -0.086 -12.596 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.687 -1.463 -14.588 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.798 0.170 -12.590 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.067 -1.204 -14.578 1.00 0.00 C ATOM 534 CZ TYR A 69 32.622 -0.389 -13.579 1.00 0.00 C ATOM 535 OH TYR A 69 33.963 -0.139 -13.568 1.00 0.00 O ATOM 0 H TYR A 69 27.747 -1.123 -11.217 1.00 0.00 H new ATOM 0 HA TYR A 69 27.858 0.860 -13.330 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.183 -2.138 -13.071 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.055 -1.394 -14.652 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.785 0.346 -11.834 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.263 -2.090 -15.358 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.227 0.798 -11.823 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.702 -1.632 -15.340 1.00 0.00 H new ATOM 0 HH TYR A 69 34.388 -0.602 -14.320 1.00 0.00 H new ATOM 545 N LEU A 70 25.248 -1.159 -12.979 1.00 0.00 N ATOM 546 CA LEU A 70 23.871 -1.387 -13.407 1.00 0.00 C ATOM 547 C LEU A 70 22.945 -0.316 -12.811 1.00 0.00 C ATOM 548 O LEU A 70 23.274 0.282 -11.788 1.00 0.00 O ATOM 549 CB LEU A 70 23.432 -2.783 -12.952 1.00 0.00 C ATOM 550 CG LEU A 70 24.107 -3.870 -13.800 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.781 -5.242 -13.209 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.595 -3.812 -15.246 1.00 0.00 C ATOM 0 H LEU A 70 25.550 -1.756 -12.209 1.00 0.00 H new ATOM 0 HA LEU A 70 23.811 -1.323 -14.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.686 -2.925 -11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.349 -2.873 -13.033 1.00 0.00 H new ATOM 0 HG LEU A 70 25.184 -3.705 -13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.258 -6.018 -13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.151 -5.294 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.701 -5.393 -13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.082 -4.588 -15.836 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.517 -3.971 -15.257 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.822 -2.835 -15.673 1.00 0.00 H new ATOM 564 N PRO A 71 21.777 -0.068 -13.451 1.00 0.00 N ATOM 565 CA PRO A 71 20.824 0.919 -12.984 1.00 0.00 C ATOM 566 C PRO A 71 20.158 0.466 -11.677 1.00 0.00 C ATOM 567 O PRO A 71 19.103 -0.168 -11.697 1.00 0.00 O ATOM 568 CB PRO A 71 19.802 1.069 -14.117 1.00 0.00 C ATOM 569 CG PRO A 71 20.025 -0.113 -15.065 1.00 0.00 C ATOM 570 CD PRO A 71 21.360 -0.744 -14.668 1.00 0.00 C ATOM 0 HA PRO A 71 21.304 1.871 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.785 1.065 -13.725 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.938 2.016 -14.639 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.214 -0.836 -14.980 1.00 0.00 H new ATOM 0 HG3 PRO A 71 20.047 0.221 -16.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.251 -1.816 -14.501 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.101 -0.618 -15.457 1.00 0.00 H new ATOM 578 N ASN A 72 20.781 0.812 -10.543 1.00 0.00 N ATOM 579 CA ASN A 72 20.251 0.509 -9.215 1.00 0.00 C ATOM 580 C ASN A 72 19.986 -0.990 -9.048 1.00 0.00 C ATOM 581 O ASN A 72 18.830 -1.423 -9.012 1.00 0.00 O ATOM 582 CB ASN A 72 18.969 1.321 -8.972 1.00 0.00 C ATOM 583 CG ASN A 72 19.193 2.812 -9.216 1.00 0.00 C ATOM 584 OD1 ASN A 72 18.430 3.445 -9.943 1.00 0.00 O ATOM 585 ND2 ASN A 72 20.237 3.375 -8.608 1.00 0.00 N ATOM 0 H ASN A 72 21.670 1.312 -10.525 1.00 0.00 H new ATOM 0 HA ASN A 72 20.997 0.791 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.178 0.959 -9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.628 1.166 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.428 4.369 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.845 2.812 -8.013 1.00 0.00 H new ATOM 592 N ARG A 73 21.064 -1.775 -8.927 1.00 0.00 N ATOM 593 CA ARG A 73 20.975 -3.214 -8.699 1.00 0.00 C ATOM 594 C ARG A 73 21.930 -3.571 -7.564 1.00 0.00 C ATOM 595 O ARG A 73 23.058 -3.966 -7.814 1.00 0.00 O ATOM 596 CB ARG A 73 21.348 -3.984 -9.978 1.00 0.00 C ATOM 597 CG ARG A 73 20.450 -3.576 -11.155 1.00 0.00 C ATOM 598 CD ARG A 73 19.025 -4.089 -10.949 1.00 0.00 C ATOM 599 NE ARG A 73 18.180 -3.724 -12.096 1.00 0.00 N ATOM 600 CZ ARG A 73 17.085 -2.946 -12.012 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.804 -2.261 -10.893 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.271 -2.858 -13.065 1.00 0.00 N ATOM 0 H ARG A 73 22.021 -1.426 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 73 19.955 -3.490 -8.432 1.00 0.00 H new ATOM 0 HB2 ARG A 73 22.391 -3.792 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.255 -5.055 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 73 20.441 -2.490 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.855 -3.976 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.035 -5.172 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.609 -3.669 -10.034 1.00 0.00 H new ATOM 0 HE ARG A 73 18.441 -4.084 -13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.425 -2.325 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.969 -1.677 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.483 -3.376 -13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.437 -2.273 -13.017 1.00 0.00 H new ATOM 616 N THR A 74 21.468 -3.414 -6.316 1.00 0.00 N ATOM 617 CA THR A 74 22.283 -3.677 -5.126 1.00 0.00 C ATOM 618 C THR A 74 23.091 -4.972 -5.286 1.00 0.00 C ATOM 619 O THR A 74 22.623 -5.927 -5.899 1.00 0.00 O ATOM 620 CB THR A 74 21.361 -3.759 -3.902 1.00 0.00 C ATOM 621 OG1 THR A 74 20.467 -2.665 -3.912 1.00 0.00 O ATOM 622 CG2 THR A 74 22.190 -3.718 -2.617 1.00 0.00 C ATOM 0 H THR A 74 20.520 -3.102 -6.105 1.00 0.00 H new ATOM 0 HA THR A 74 22.997 -2.864 -4.992 1.00 0.00 H new ATOM 0 HB THR A 74 20.803 -4.694 -3.941 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.877 -2.718 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.527 -3.777 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.880 -4.561 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 74 22.755 -2.786 -2.578 1.00 0.00 H new ATOM 630 N ASP A 75 24.310 -4.995 -4.727 1.00 0.00 N ATOM 631 CA ASP A 75 25.185 -6.165 -4.802 1.00 0.00 C ATOM 632 C ASP A 75 24.428 -7.423 -4.370 1.00 0.00 C ATOM 633 O ASP A 75 24.444 -8.427 -5.080 1.00 0.00 O ATOM 634 CB ASP A 75 26.438 -5.953 -3.931 1.00 0.00 C ATOM 635 CG ASP A 75 26.162 -5.064 -2.722 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.219 -5.392 -1.975 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.905 -4.067 -2.572 1.00 0.00 O ATOM 0 H ASP A 75 24.711 -4.209 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 75 25.506 -6.298 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.808 -6.920 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.226 -5.505 -4.536 1.00 0.00 H new ATOM 642 N VAL A 76 23.761 -7.364 -3.213 1.00 0.00 N ATOM 643 CA VAL A 76 22.978 -8.486 -2.711 1.00 0.00 C ATOM 644 C VAL A 76 21.963 -8.928 -3.771 1.00 0.00 C ATOM 645 O VAL A 76 21.772 -10.121 -3.980 1.00 0.00 O ATOM 646 CB VAL A 76 22.268 -8.076 -1.409 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.294 -9.178 -0.975 1.00 0.00 C ATOM 648 CG2 VAL A 76 23.303 -7.859 -0.302 1.00 0.00 C ATOM 0 H VAL A 76 23.751 -6.544 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 76 23.637 -9.327 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 76 21.717 -7.152 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.795 -8.880 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.550 -9.334 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.844 -10.104 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.796 -7.569 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.857 -8.783 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.994 -7.070 -0.600 1.00 0.00 H new ATOM 658 N GLN A 77 21.316 -7.960 -4.437 1.00 0.00 N ATOM 659 CA GLN A 77 20.323 -8.252 -5.463 1.00 0.00 C ATOM 660 C GLN A 77 20.980 -8.974 -6.642 1.00 0.00 C ATOM 661 O GLN A 77 20.477 -9.999 -7.096 1.00 0.00 O ATOM 662 CB GLN A 77 19.671 -6.942 -5.922 1.00 0.00 C ATOM 663 CG GLN A 77 18.410 -7.240 -6.737 1.00 0.00 C ATOM 664 CD GLN A 77 17.939 -5.995 -7.478 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.699 -6.041 -8.680 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.809 -4.879 -6.760 1.00 0.00 N ATOM 0 H GLN A 77 21.469 -6.964 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 77 19.554 -8.906 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.418 -6.330 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.375 -6.367 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.613 -8.039 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.620 -7.596 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.020 -4.887 -5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.499 -4.017 -7.209 1.00 0.00 H new ATOM 675 N CYS A 78 22.105 -8.436 -7.136 1.00 0.00 N ATOM 676 CA CYS A 78 22.822 -9.034 -8.257 1.00 0.00 C ATOM 677 C CYS A 78 23.183 -10.477 -7.919 1.00 0.00 C ATOM 678 O CYS A 78 22.992 -11.378 -8.735 1.00 0.00 O ATOM 679 CB CYS A 78 24.092 -8.230 -8.555 1.00 0.00 C ATOM 680 SG CYS A 78 23.637 -6.629 -9.260 1.00 0.00 S ATOM 0 H CYS A 78 22.534 -7.585 -6.771 1.00 0.00 H new ATOM 0 HA CYS A 78 22.184 -9.021 -9.141 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.668 -8.087 -7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.728 -8.778 -9.250 1.00 0.00 H new ATOM 0 HG CYS A 78 23.500 -5.758 -8.305 1.00 0.00 H new ATOM 686 N GLN A 79 23.702 -10.690 -6.706 1.00 0.00 N ATOM 687 CA GLN A 79 24.082 -12.012 -6.244 1.00 0.00 C ATOM 688 C GLN A 79 22.853 -12.925 -6.213 1.00 0.00 C ATOM 689 O GLN A 79 22.906 -14.050 -6.702 1.00 0.00 O ATOM 690 CB GLN A 79 24.712 -11.888 -4.851 1.00 0.00 C ATOM 691 CG GLN A 79 25.356 -13.217 -4.448 1.00 0.00 C ATOM 692 CD GLN A 79 25.923 -13.143 -3.034 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.511 -13.898 -2.159 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.869 -12.231 -2.812 1.00 0.00 N ATOM 0 H GLN A 79 23.867 -9.949 -6.025 1.00 0.00 H new ATOM 0 HA GLN A 79 24.811 -12.453 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.461 -11.096 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.951 -11.607 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.617 -14.016 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.151 -13.467 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.181 -11.624 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.281 -12.140 -1.884 1.00 0.00 H new ATOM 703 N HIS A 80 21.747 -12.432 -5.636 1.00 0.00 N ATOM 704 CA HIS A 80 20.510 -13.201 -5.533 1.00 0.00 C ATOM 705 C HIS A 80 19.936 -13.502 -6.917 1.00 0.00 C ATOM 706 O HIS A 80 19.163 -14.444 -7.065 1.00 0.00 O ATOM 707 CB HIS A 80 19.486 -12.425 -4.692 1.00 0.00 C ATOM 708 CG HIS A 80 19.371 -12.947 -3.284 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.231 -12.760 -2.510 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.228 -13.659 -2.482 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.462 -13.358 -1.325 1.00 0.00 C ATOM 712 NE2 HIS A 80 19.664 -13.932 -1.244 1.00 0.00 N ATOM 0 H HIS A 80 21.690 -11.497 -5.233 1.00 0.00 H new ATOM 0 HA HIS A 80 20.732 -14.150 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.770 -11.373 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.510 -12.479 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.219 -13.969 -2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 80 17.744 -13.372 -0.519 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.070 -14.446 -0.462 1.00 0.00 H new ATOM 720 N ARG A 81 20.302 -12.713 -7.929 1.00 0.00 N ATOM 721 CA ARG A 81 19.815 -12.937 -9.275 1.00 0.00 C ATOM 722 C ARG A 81 20.662 -14.012 -9.953 1.00 0.00 C ATOM 723 O ARG A 81 20.124 -14.984 -10.480 1.00 0.00 O ATOM 724 CB ARG A 81 19.855 -11.620 -10.067 1.00 0.00 C ATOM 725 CG ARG A 81 19.389 -11.844 -11.517 1.00 0.00 C ATOM 726 CD ARG A 81 17.904 -12.224 -11.548 1.00 0.00 C ATOM 727 NE ARG A 81 17.418 -12.334 -12.931 1.00 0.00 N ATOM 728 CZ ARG A 81 16.224 -12.864 -13.249 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.416 -13.328 -12.286 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.839 -12.928 -14.530 1.00 0.00 N ATOM 0 H ARG A 81 20.933 -11.917 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 81 18.782 -13.283 -9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.216 -10.880 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.868 -11.218 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.552 -10.939 -12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.983 -12.633 -11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.756 -13.172 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.322 -11.474 -11.012 1.00 0.00 H new ATOM 0 HE ARG A 81 18.014 -11.992 -13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.706 -13.280 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.511 -13.730 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.452 -12.575 -15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.933 -13.330 -14.771 1.00 0.00 H new ATOM 744 N TRP A 82 21.987 -13.832 -9.954 1.00 0.00 N ATOM 745 CA TRP A 82 22.876 -14.756 -10.634 1.00 0.00 C ATOM 746 C TRP A 82 23.043 -16.067 -9.861 1.00 0.00 C ATOM 747 O TRP A 82 22.739 -17.130 -10.395 1.00 0.00 O ATOM 748 CB TRP A 82 24.238 -14.109 -10.862 1.00 0.00 C ATOM 749 CG TRP A 82 25.184 -15.006 -11.590 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.091 -15.812 -11.019 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.293 -15.255 -13.023 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.752 -16.554 -11.961 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.300 -16.250 -13.230 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.640 -14.757 -14.174 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.635 -16.724 -14.500 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.975 -15.234 -15.458 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.968 -16.216 -15.618 1.00 0.00 C ATOM 0 H TRP A 82 22.458 -13.055 -9.491 1.00 0.00 H new ATOM 0 HA TRP A 82 22.421 -14.995 -11.595 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.108 -13.187 -11.429 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.671 -13.834 -9.900 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.276 -15.868 -9.956 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.479 -17.238 -11.754 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.875 -14.002 -14.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.402 -17.476 -14.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.465 -14.842 -16.325 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.215 -16.578 -16.605 1.00 0.00 H new ATOM 768 N GLN A 83 23.543 -15.998 -8.615 1.00 0.00 N ATOM 769 CA GLN A 83 23.823 -17.198 -7.816 1.00 0.00 C ATOM 770 C GLN A 83 22.533 -17.798 -7.248 1.00 0.00 C ATOM 771 O GLN A 83 22.490 -18.179 -6.079 1.00 0.00 O ATOM 772 CB GLN A 83 24.788 -16.841 -6.675 1.00 0.00 C ATOM 773 CG GLN A 83 26.105 -16.303 -7.243 1.00 0.00 C ATOM 774 CD GLN A 83 27.139 -16.098 -6.137 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.793 -16.032 -4.961 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.412 -15.997 -6.519 1.00 0.00 N ATOM 0 H GLN A 83 23.761 -15.121 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 83 24.283 -17.945 -8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.333 -16.095 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.981 -17.722 -6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.495 -16.999 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.924 -15.358 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.654 -16.058 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.144 -15.859 -5.822 1.00 0.00 H new ATOM 785 N LYS A 84 21.485 -17.884 -8.070 1.00 0.00 N ATOM 786 CA LYS A 84 20.217 -18.446 -7.643 1.00 0.00 C ATOM 787 C LYS A 84 19.361 -18.832 -8.854 1.00 0.00 C ATOM 788 O LYS A 84 18.583 -19.780 -8.771 1.00 0.00 O ATOM 789 CB LYS A 84 19.492 -17.432 -6.747 1.00 0.00 C ATOM 790 CG LYS A 84 19.215 -18.055 -5.375 1.00 0.00 C ATOM 791 CD LYS A 84 18.740 -16.970 -4.405 1.00 0.00 C ATOM 792 CE LYS A 84 18.609 -17.561 -2.998 1.00 0.00 C ATOM 793 NZ LYS A 84 18.235 -16.525 -2.018 1.00 0.00 N ATOM 0 H LYS A 84 21.498 -17.567 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 84 20.397 -19.356 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.100 -16.534 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.555 -17.126 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.458 -18.834 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.118 -18.530 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.446 -16.140 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.781 -16.569 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.858 -18.351 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.553 -18.020 -2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.989 -16.975 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.036 -15.877 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.416 -15.991 -2.373 1.00 0.00 H new ATOM 807 N VAL A 85 19.497 -18.094 -9.976 1.00 0.00 N ATOM 808 CA VAL A 85 18.703 -18.354 -11.175 1.00 0.00 C ATOM 809 C VAL A 85 19.613 -18.756 -12.338 1.00 0.00 C ATOM 810 O VAL A 85 19.477 -19.853 -12.877 1.00 0.00 O ATOM 811 CB VAL A 85 17.880 -17.102 -11.528 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.909 -17.428 -12.667 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.083 -16.638 -10.302 1.00 0.00 C ATOM 0 H VAL A 85 20.151 -17.316 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 85 18.019 -19.181 -10.984 1.00 0.00 H new ATOM 0 HB VAL A 85 18.559 -16.308 -11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.328 -16.540 -12.915 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.471 -17.750 -13.544 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.236 -18.226 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.503 -15.752 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.409 -17.433 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.770 -16.399 -9.490 1.00 0.00 H new ATOM 823 N LEU A 86 20.535 -17.867 -12.732 1.00 0.00 N ATOM 824 CA LEU A 86 21.429 -18.136 -13.851 1.00 0.00 C ATOM 825 C LEU A 86 22.417 -19.235 -13.472 1.00 0.00 C ATOM 826 O LEU A 86 23.024 -19.188 -12.405 1.00 0.00 O ATOM 827 CB LEU A 86 22.197 -16.860 -14.239 1.00 0.00 C ATOM 828 CG LEU A 86 21.323 -15.870 -15.042 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.735 -16.547 -16.286 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.194 -15.317 -14.171 1.00 0.00 C ATOM 0 H LEU A 86 20.676 -16.959 -12.289 1.00 0.00 H new ATOM 0 HA LEU A 86 20.834 -18.463 -14.704 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.562 -16.370 -13.336 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.072 -17.131 -14.830 1.00 0.00 H new ATOM 0 HG LEU A 86 21.960 -15.045 -15.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.124 -15.831 -16.835 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.544 -16.899 -16.926 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.118 -17.393 -15.983 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.591 -14.622 -14.755 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.567 -16.138 -13.823 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.618 -14.796 -13.313 1.00 0.00 H new