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 80 HIS : no HD1:sc= 0.171 X(o=0.41,f=0) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -139:sc= 0.238 (180deg=-0.0715) USER MOD Set 2.1: A 74 THR OG1 : rot -170:sc= 0.0769 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.384 K(o=0.46,f=-2.2!) USER MOD Set 3.1: A 53 LYS NZ :NH3+ 154:sc= 2.1 (180deg=-0.144) USER MOD Set 3.2: A 57 GLN : amide:sc= 1.07 K(o=3.2,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.19) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.032 (180deg=-0.353) USER MOD Single : A 58 ASN : amide:sc= 0.792 K(o=0.79,f=-0.52) USER MOD Single : A 60 THR OG1 : rot -53:sc= 1.11 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 1.08 (180deg=0.377) USER MOD Single : A 68 ASN : amide:sc= 1.04 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 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 94:sc= 0.214 USER MOD Single : A 79 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.066 -8.564 -13.349 1.00 0.00 N ATOM 90 CA TRP A 43 14.201 -8.712 -14.264 1.00 0.00 C ATOM 91 C TRP A 43 13.713 -9.056 -15.679 1.00 0.00 C ATOM 92 O TRP A 43 12.547 -9.402 -15.879 1.00 0.00 O ATOM 93 CB TRP A 43 15.181 -9.773 -13.733 1.00 0.00 C ATOM 94 CG TRP A 43 16.051 -9.299 -12.614 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.691 -9.186 -11.323 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.435 -8.852 -12.669 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.731 -8.701 -10.564 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.846 -8.470 -11.352 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.388 -8.725 -13.699 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.129 -7.985 -11.080 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.679 -8.228 -13.437 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.050 -7.858 -12.130 1.00 0.00 C ATOM 0 HA TRP A 43 14.733 -7.762 -14.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.612 -10.639 -13.394 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.815 -10.109 -14.554 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.716 -9.442 -10.934 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.687 -8.534 -9.559 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.124 -9.014 -14.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.407 -7.711 -10.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.390 -8.130 -14.244 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.042 -7.477 -11.937 1.00 0.00 H new ATOM 113 N THR A 44 14.611 -8.951 -16.667 1.00 0.00 N ATOM 114 CA THR A 44 14.270 -9.239 -18.052 1.00 0.00 C ATOM 115 C THR A 44 15.524 -9.645 -18.829 1.00 0.00 C ATOM 116 O THR A 44 16.644 -9.491 -18.339 1.00 0.00 O ATOM 117 CB THR A 44 13.585 -8.015 -18.686 1.00 0.00 C ATOM 118 OG1 THR A 44 13.147 -8.341 -19.989 1.00 0.00 O ATOM 119 CG2 THR A 44 14.556 -6.833 -18.756 1.00 0.00 C ATOM 0 H THR A 44 15.580 -8.667 -16.524 1.00 0.00 H new ATOM 0 HA THR A 44 13.571 -10.075 -18.089 1.00 0.00 H new ATOM 0 HB THR A 44 12.732 -7.733 -18.069 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.709 -7.562 -20.392 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.055 -5.977 -19.207 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.885 -6.573 -17.750 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.420 -7.107 -19.361 1.00 0.00 H new ATOM 127 N ARG A 45 15.313 -10.172 -20.043 1.00 0.00 N ATOM 128 CA ARG A 45 16.385 -10.657 -20.902 1.00 0.00 C ATOM 129 C ARG A 45 17.507 -9.628 -21.034 1.00 0.00 C ATOM 130 O ARG A 45 18.673 -9.973 -20.881 1.00 0.00 O ATOM 131 CB ARG A 45 15.797 -10.988 -22.281 1.00 0.00 C ATOM 132 CG ARG A 45 16.874 -11.612 -23.178 1.00 0.00 C ATOM 133 CD ARG A 45 16.312 -11.828 -24.588 1.00 0.00 C ATOM 134 NE ARG A 45 15.182 -12.768 -24.575 1.00 0.00 N ATOM 135 CZ ARG A 45 15.330 -14.105 -24.512 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.554 -14.649 -24.448 1.00 0.00 N ATOM 137 NH2 ARG A 45 14.249 -14.895 -24.512 1.00 0.00 N ATOM 0 H ARG A 45 14.384 -10.271 -20.453 1.00 0.00 H new ATOM 0 HA ARG A 45 16.820 -11.551 -20.455 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.960 -11.677 -22.172 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.406 -10.082 -22.745 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.747 -10.961 -23.220 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.204 -12.562 -22.758 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.989 -10.873 -25.003 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.098 -12.210 -25.240 1.00 0.00 H new ATOM 0 HE ARG A 45 14.236 -12.388 -24.616 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.379 -14.049 -24.447 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.660 -15.662 -24.400 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.317 -14.484 -24.560 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.358 -15.908 -24.464 1.00 0.00 H new ATOM 151 N GLU A 46 17.159 -8.371 -21.333 1.00 0.00 N ATOM 152 CA GLU A 46 18.154 -7.326 -21.538 1.00 0.00 C ATOM 153 C GLU A 46 19.026 -7.150 -20.292 1.00 0.00 C ATOM 154 O GLU A 46 20.251 -7.178 -20.386 1.00 0.00 O ATOM 155 CB GLU A 46 17.455 -6.013 -21.900 1.00 0.00 C ATOM 156 CG GLU A 46 18.441 -5.107 -22.645 1.00 0.00 C ATOM 157 CD GLU A 46 17.965 -3.661 -22.660 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.733 -3.464 -22.602 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.849 -2.778 -22.730 1.00 0.00 O ATOM 0 H GLU A 46 16.194 -8.058 -21.437 1.00 0.00 H new ATOM 0 HA GLU A 46 18.807 -7.619 -22.360 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.583 -6.211 -22.523 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.097 -5.517 -20.998 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.420 -5.164 -22.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.562 -5.462 -23.668 1.00 0.00 H new ATOM 166 N GLU A 47 18.397 -6.962 -19.127 1.00 0.00 N ATOM 167 CA GLU A 47 19.128 -6.765 -17.882 1.00 0.00 C ATOM 168 C GLU A 47 20.054 -7.955 -17.639 1.00 0.00 C ATOM 169 O GLU A 47 21.236 -7.776 -17.346 1.00 0.00 O ATOM 170 CB GLU A 47 18.140 -6.612 -16.721 1.00 0.00 C ATOM 171 CG GLU A 47 18.307 -5.242 -16.066 1.00 0.00 C ATOM 172 CD GLU A 47 17.259 -5.039 -14.981 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.322 -5.787 -13.984 1.00 0.00 O ATOM 174 OE2 GLU A 47 16.412 -4.141 -15.166 1.00 0.00 O ATOM 0 H GLU A 47 17.382 -6.943 -19.026 1.00 0.00 H new ATOM 0 HA GLU A 47 19.729 -5.858 -17.951 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.119 -6.728 -17.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.307 -7.398 -15.985 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.305 -5.157 -15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.216 -4.459 -16.819 1.00 0.00 H new ATOM 181 N ASP A 48 19.511 -9.173 -17.766 1.00 0.00 N ATOM 182 CA ASP A 48 20.287 -10.385 -17.570 1.00 0.00 C ATOM 183 C ASP A 48 21.476 -10.397 -18.526 1.00 0.00 C ATOM 184 O ASP A 48 22.582 -10.724 -18.119 1.00 0.00 O ATOM 185 CB ASP A 48 19.397 -11.614 -17.795 1.00 0.00 C ATOM 186 CG ASP A 48 18.431 -11.817 -16.633 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.909 -11.772 -15.481 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.231 -12.021 -16.915 1.00 0.00 O ATOM 0 H ASP A 48 18.533 -9.336 -18.005 1.00 0.00 H new ATOM 0 HA ASP A 48 20.664 -10.414 -16.548 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.835 -11.494 -18.721 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.020 -12.501 -17.912 1.00 0.00 H new ATOM 193 N GLU A 49 21.244 -10.039 -19.798 1.00 0.00 N ATOM 194 CA GLU A 49 22.297 -10.011 -20.806 1.00 0.00 C ATOM 195 C GLU A 49 23.463 -9.154 -20.312 1.00 0.00 C ATOM 196 O GLU A 49 24.616 -9.588 -20.355 1.00 0.00 O ATOM 197 CB GLU A 49 21.731 -9.464 -22.121 1.00 0.00 C ATOM 198 CG GLU A 49 22.721 -9.720 -23.259 1.00 0.00 C ATOM 199 CD GLU A 49 22.155 -9.226 -24.584 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.116 -9.783 -25.000 1.00 0.00 O ATOM 201 OE2 GLU A 49 22.772 -8.301 -25.155 1.00 0.00 O ATOM 0 H GLU A 49 20.326 -9.764 -20.148 1.00 0.00 H new ATOM 0 HA GLU A 49 22.667 -11.021 -20.982 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.777 -9.941 -22.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.539 -8.395 -22.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.663 -9.214 -23.049 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.939 -10.786 -23.325 1.00 0.00 H new ATOM 208 N LYS A 50 23.162 -7.939 -19.834 1.00 0.00 N ATOM 209 CA LYS A 50 24.185 -7.043 -19.317 1.00 0.00 C ATOM 210 C LYS A 50 24.902 -7.712 -18.145 1.00 0.00 C ATOM 211 O LYS A 50 26.130 -7.681 -18.068 1.00 0.00 O ATOM 212 CB LYS A 50 23.548 -5.722 -18.866 1.00 0.00 C ATOM 213 CG LYS A 50 22.894 -5.011 -20.055 1.00 0.00 C ATOM 214 CD LYS A 50 22.327 -3.663 -19.591 1.00 0.00 C ATOM 215 CE LYS A 50 21.074 -3.311 -20.400 1.00 0.00 C ATOM 216 NZ LYS A 50 21.369 -3.221 -21.842 1.00 0.00 N ATOM 0 H LYS A 50 22.215 -7.561 -19.798 1.00 0.00 H new ATOM 0 HA LYS A 50 24.909 -6.828 -20.103 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.802 -5.915 -18.095 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.307 -5.078 -18.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.625 -4.857 -20.848 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.098 -5.629 -20.470 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.083 -3.709 -18.530 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.078 -2.883 -19.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.307 -4.066 -20.231 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.669 -2.361 -20.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.543 -2.835 -22.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.187 -2.596 -21.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.586 -4.169 -22.212 1.00 0.00 H new ATOM 230 N LEU A 51 24.128 -8.315 -17.230 1.00 0.00 N ATOM 231 CA LEU A 51 24.684 -8.971 -16.057 1.00 0.00 C ATOM 232 C LEU A 51 25.674 -10.063 -16.475 1.00 0.00 C ATOM 233 O LEU A 51 26.724 -10.195 -15.860 1.00 0.00 O ATOM 234 CB LEU A 51 23.546 -9.547 -15.199 1.00 0.00 C ATOM 235 CG LEU A 51 24.091 -10.096 -13.865 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.769 -8.979 -13.065 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.934 -10.666 -13.043 1.00 0.00 C ATOM 0 H LEU A 51 23.111 -8.357 -17.289 1.00 0.00 H new ATOM 0 HA LEU A 51 25.230 -8.241 -15.459 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.804 -8.773 -15.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.039 -10.343 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 51 24.822 -10.876 -14.078 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.148 -9.383 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.596 -8.568 -13.644 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.046 -8.191 -12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.315 -11.055 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.207 -9.879 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.454 -11.471 -13.600 1.00 0.00 H new ATOM 249 N LYS A 52 25.349 -10.845 -17.519 1.00 0.00 N ATOM 250 CA LYS A 52 26.244 -11.904 -17.987 1.00 0.00 C ATOM 251 C LYS A 52 27.612 -11.315 -18.329 1.00 0.00 C ATOM 252 O LYS A 52 28.635 -11.800 -17.853 1.00 0.00 O ATOM 253 CB LYS A 52 25.663 -12.609 -19.224 1.00 0.00 C ATOM 254 CG LYS A 52 24.208 -13.019 -18.987 1.00 0.00 C ATOM 255 CD LYS A 52 23.956 -14.412 -19.573 1.00 0.00 C ATOM 256 CE LYS A 52 22.499 -14.824 -19.334 1.00 0.00 C ATOM 257 NZ LYS A 52 21.559 -13.891 -19.987 1.00 0.00 N ATOM 0 H LYS A 52 24.480 -10.761 -18.047 1.00 0.00 H new ATOM 0 HA LYS A 52 26.350 -12.638 -17.188 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.722 -11.945 -20.087 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.260 -13.491 -19.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.991 -13.020 -17.919 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.537 -12.294 -19.448 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.172 -14.411 -20.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.628 -15.136 -19.113 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.337 -15.832 -19.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.299 -14.853 -18.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.622 -14.336 -20.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.487 -13.020 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.905 -13.660 -20.940 1.00 0.00 H new ATOM 271 N LYS A 53 27.624 -10.269 -19.167 1.00 0.00 N ATOM 272 CA LYS A 53 28.861 -9.639 -19.607 1.00 0.00 C ATOM 273 C LYS A 53 29.615 -9.031 -18.420 1.00 0.00 C ATOM 274 O LYS A 53 30.845 -9.095 -18.368 1.00 0.00 O ATOM 275 CB LYS A 53 28.534 -8.562 -20.648 1.00 0.00 C ATOM 276 CG LYS A 53 29.798 -8.211 -21.449 1.00 0.00 C ATOM 277 CD LYS A 53 29.994 -6.687 -21.504 1.00 0.00 C ATOM 278 CE LYS A 53 30.477 -6.148 -20.147 1.00 0.00 C ATOM 279 NZ LYS A 53 31.752 -6.769 -19.739 1.00 0.00 N ATOM 0 H LYS A 53 26.780 -9.844 -19.552 1.00 0.00 H new ATOM 0 HA LYS A 53 29.506 -10.393 -20.057 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.754 -8.918 -21.320 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.147 -7.671 -20.154 1.00 0.00 H new ATOM 0 HG2 LYS A 53 30.669 -8.679 -20.990 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.718 -8.610 -22.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 30.719 -6.437 -22.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.056 -6.205 -21.778 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.601 -5.067 -20.208 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.719 -6.340 -19.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.265 -6.124 -19.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.560 -7.663 -19.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 32.331 -6.958 -20.582 1.00 0.00 H new ATOM 293 N LEU A 54 28.885 -8.432 -17.474 1.00 0.00 N ATOM 294 CA LEU A 54 29.501 -7.809 -16.310 1.00 0.00 C ATOM 295 C LEU A 54 30.143 -8.876 -15.422 1.00 0.00 C ATOM 296 O LEU A 54 31.258 -8.685 -14.940 1.00 0.00 O ATOM 297 CB LEU A 54 28.446 -7.013 -15.535 1.00 0.00 C ATOM 298 CG LEU A 54 28.089 -5.726 -16.297 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.756 -5.182 -15.782 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.180 -4.670 -16.082 1.00 0.00 C ATOM 0 H LEU A 54 27.867 -8.368 -17.496 1.00 0.00 H new ATOM 0 HA LEU A 54 30.284 -7.124 -16.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.552 -7.621 -15.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.823 -6.765 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 54 28.010 -5.953 -17.360 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.502 -4.270 -16.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.975 -5.926 -15.939 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.839 -4.962 -14.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.919 -3.762 -16.625 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.264 -4.445 -15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.133 -5.051 -16.449 1.00 0.00 H new ATOM 312 N VAL A 55 29.446 -9.996 -15.209 1.00 0.00 N ATOM 313 CA VAL A 55 29.964 -11.087 -14.395 1.00 0.00 C ATOM 314 C VAL A 55 31.170 -11.715 -15.094 1.00 0.00 C ATOM 315 O VAL A 55 32.156 -12.037 -14.448 1.00 0.00 O ATOM 316 CB VAL A 55 28.853 -12.123 -14.157 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.451 -13.414 -13.585 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.837 -11.560 -13.160 1.00 0.00 C ATOM 0 H VAL A 55 28.517 -10.166 -15.594 1.00 0.00 H new ATOM 0 HA VAL A 55 30.290 -10.710 -13.426 1.00 0.00 H new ATOM 0 HB VAL A 55 28.363 -12.341 -15.106 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.656 -14.141 -13.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.176 -13.822 -14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.947 -13.197 -12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.049 -12.294 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.337 -11.340 -12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.401 -10.645 -13.562 1.00 0.00 H new ATOM 328 N GLU A 56 31.090 -11.882 -16.414 1.00 0.00 N ATOM 329 CA GLU A 56 32.183 -12.454 -17.189 1.00 0.00 C ATOM 330 C GLU A 56 33.455 -11.616 -17.001 1.00 0.00 C ATOM 331 O GLU A 56 34.556 -12.159 -16.944 1.00 0.00 O ATOM 332 CB GLU A 56 31.767 -12.496 -18.665 1.00 0.00 C ATOM 333 CG GLU A 56 32.837 -13.205 -19.501 1.00 0.00 C ATOM 334 CD GLU A 56 32.417 -13.278 -20.965 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.133 -12.197 -21.527 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.386 -14.411 -21.492 1.00 0.00 O ATOM 0 H GLU A 56 30.273 -11.626 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 56 32.397 -13.467 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.814 -13.015 -18.766 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.619 -11.482 -19.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.784 -12.673 -19.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.001 -14.211 -19.114 1.00 0.00 H new ATOM 343 N GLN A 57 33.292 -10.290 -16.912 1.00 0.00 N ATOM 344 CA GLN A 57 34.411 -9.371 -16.776 1.00 0.00 C ATOM 345 C GLN A 57 34.911 -9.302 -15.328 1.00 0.00 C ATOM 346 O GLN A 57 36.064 -9.625 -15.052 1.00 0.00 O ATOM 347 CB GLN A 57 33.954 -7.984 -17.249 1.00 0.00 C ATOM 348 CG GLN A 57 35.104 -6.976 -17.143 1.00 0.00 C ATOM 349 CD GLN A 57 34.646 -5.582 -17.563 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.558 -5.421 -18.117 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.476 -4.575 -17.300 1.00 0.00 N ATOM 0 H GLN A 57 32.381 -9.833 -16.933 1.00 0.00 H new ATOM 0 HA GLN A 57 35.242 -9.726 -17.385 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.606 -8.041 -18.280 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.110 -7.647 -16.646 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.475 -6.948 -16.119 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.933 -7.296 -17.774 1.00 0.00 H new ATOM 0 HE21 GLN A 57 36.368 -4.756 -16.839 1.00 0.00 H new ATOM 0 HE22 GLN A 57 35.220 -3.622 -17.559 1.00 0.00 H new ATOM 360 N ASN A 58 34.046 -8.849 -14.416 1.00 0.00 N ATOM 361 CA ASN A 58 34.421 -8.617 -13.024 1.00 0.00 C ATOM 362 C ASN A 58 34.455 -9.913 -12.216 1.00 0.00 C ATOM 363 O ASN A 58 35.333 -10.088 -11.374 1.00 0.00 O ATOM 364 CB ASN A 58 33.428 -7.628 -12.402 1.00 0.00 C ATOM 365 CG ASN A 58 33.406 -6.316 -13.182 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.151 -5.393 -12.869 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.550 -6.236 -14.203 1.00 0.00 N ATOM 0 H ASN A 58 33.071 -8.634 -14.624 1.00 0.00 H new ATOM 0 HA ASN A 58 35.429 -8.203 -13.003 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.430 -8.066 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.702 -7.435 -11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.497 -5.382 -14.758 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.949 -7.029 -14.428 1.00 0.00 H new ATOM 374 N GLY A 59 33.499 -10.813 -12.458 1.00 0.00 N ATOM 375 CA GLY A 59 33.408 -12.062 -11.712 1.00 0.00 C ATOM 376 C GLY A 59 32.520 -11.864 -10.488 1.00 0.00 C ATOM 377 O GLY A 59 32.059 -10.753 -10.224 1.00 0.00 O ATOM 0 H GLY A 59 32.776 -10.696 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 59 32.999 -12.848 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.402 -12.386 -11.404 1.00 0.00 H new ATOM 381 N THR A 60 32.281 -12.943 -9.734 1.00 0.00 N ATOM 382 CA THR A 60 31.449 -12.883 -8.535 1.00 0.00 C ATOM 383 C THR A 60 32.291 -12.395 -7.341 1.00 0.00 C ATOM 384 O THR A 60 32.186 -12.924 -6.234 1.00 0.00 O ATOM 385 CB THR A 60 30.808 -14.268 -8.283 1.00 0.00 C ATOM 386 OG1 THR A 60 30.138 -14.280 -7.038 1.00 0.00 O ATOM 387 CG2 THR A 60 31.871 -15.366 -8.293 1.00 0.00 C ATOM 0 H THR A 60 32.655 -13.870 -9.937 1.00 0.00 H new ATOM 0 HA THR A 60 30.638 -12.167 -8.670 1.00 0.00 H new ATOM 0 HB THR A 60 30.092 -14.458 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 60 30.752 -13.986 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.398 -16.332 -8.114 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.370 -15.380 -9.262 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.604 -15.170 -7.510 1.00 0.00 H new ATOM 395 N ASP A 61 33.123 -11.370 -7.576 1.00 0.00 N ATOM 396 CA ASP A 61 33.950 -10.779 -6.538 1.00 0.00 C ATOM 397 C ASP A 61 33.161 -9.631 -5.892 1.00 0.00 C ATOM 398 O ASP A 61 32.100 -9.869 -5.313 1.00 0.00 O ATOM 399 CB ASP A 61 35.270 -10.308 -7.166 1.00 0.00 C ATOM 400 CG ASP A 61 36.245 -9.820 -6.101 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.705 -10.677 -5.316 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.510 -8.600 -6.095 1.00 0.00 O ATOM 0 H ASP A 61 33.234 -10.935 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 61 34.198 -11.498 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.721 -11.126 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.072 -9.505 -7.876 1.00 0.00 H new ATOM 407 N ASP A 62 33.658 -8.390 -5.999 1.00 0.00 N ATOM 408 CA ASP A 62 32.952 -7.235 -5.471 1.00 0.00 C ATOM 409 C ASP A 62 31.738 -6.929 -6.345 1.00 0.00 C ATOM 410 O ASP A 62 31.848 -6.243 -7.364 1.00 0.00 O ATOM 411 CB ASP A 62 33.896 -6.022 -5.388 1.00 0.00 C ATOM 412 CG ASP A 62 33.969 -5.489 -3.964 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.928 -4.962 -3.506 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.054 -5.606 -3.360 1.00 0.00 O ATOM 0 H ASP A 62 34.547 -8.170 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 62 32.604 -7.456 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.892 -6.307 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.545 -5.236 -6.057 1.00 0.00 H new ATOM 419 N TRP A 63 30.570 -7.436 -5.935 1.00 0.00 N ATOM 420 CA TRP A 63 29.327 -7.193 -6.649 1.00 0.00 C ATOM 421 C TRP A 63 29.012 -5.693 -6.653 1.00 0.00 C ATOM 422 O TRP A 63 28.208 -5.233 -7.457 1.00 0.00 O ATOM 423 CB TRP A 63 28.205 -7.995 -5.989 1.00 0.00 C ATOM 424 CG TRP A 63 28.265 -9.464 -6.261 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.736 -10.399 -5.418 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.858 -10.192 -7.458 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.664 -11.649 -5.981 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.126 -11.583 -7.252 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.291 -9.828 -8.703 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.853 -12.548 -8.222 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.020 -10.803 -9.685 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.312 -12.159 -9.446 1.00 0.00 C ATOM 0 H TRP A 63 30.467 -8.020 -5.105 1.00 0.00 H new ATOM 0 HA TRP A 63 29.422 -7.516 -7.686 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.243 -7.834 -4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.246 -7.611 -6.336 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.120 -10.194 -4.430 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.966 -12.509 -5.524 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.063 -8.791 -8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.060 -13.590 -8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.585 -10.507 -10.628 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.117 -12.897 -10.210 1.00 0.00 H new ATOM 443 N LYS A 64 29.664 -4.935 -5.758 1.00 0.00 N ATOM 444 CA LYS A 64 29.503 -3.493 -5.685 1.00 0.00 C ATOM 445 C LYS A 64 29.809 -2.867 -7.050 1.00 0.00 C ATOM 446 O LYS A 64 29.119 -1.945 -7.481 1.00 0.00 O ATOM 447 CB LYS A 64 30.455 -2.955 -4.611 1.00 0.00 C ATOM 448 CG LYS A 64 30.277 -1.443 -4.454 1.00 0.00 C ATOM 449 CD LYS A 64 31.025 -0.951 -3.206 1.00 0.00 C ATOM 450 CE LYS A 64 32.535 -1.199 -3.350 1.00 0.00 C ATOM 451 NZ LYS A 64 32.946 -2.451 -2.681 1.00 0.00 N ATOM 0 H LYS A 64 30.315 -5.314 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 64 28.477 -3.236 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.260 -3.452 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.486 -3.181 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.654 -0.931 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.218 -1.200 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.838 0.113 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.649 -1.467 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.797 -1.247 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 64 33.085 -0.360 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.895 -2.331 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.269 -2.679 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 32.963 -3.226 -3.375 1.00 0.00 H new ATOM 465 N VAL A 65 30.847 -3.373 -7.729 1.00 0.00 N ATOM 466 CA VAL A 65 31.241 -2.866 -9.036 1.00 0.00 C ATOM 467 C VAL A 65 30.117 -3.114 -10.041 1.00 0.00 C ATOM 468 O VAL A 65 29.708 -2.204 -10.760 1.00 0.00 O ATOM 469 CB VAL A 65 32.535 -3.562 -9.484 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.922 -3.083 -10.885 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.666 -3.232 -8.508 1.00 0.00 C ATOM 0 H VAL A 65 31.428 -4.138 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 65 31.423 -1.793 -8.978 1.00 0.00 H new ATOM 0 HB VAL A 65 32.371 -4.639 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.840 -3.579 -11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.122 -3.323 -11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.079 -2.005 -10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.581 -3.728 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.826 -2.154 -8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.398 -3.578 -7.510 1.00 0.00 H new ATOM 481 N ILE A 66 29.621 -4.352 -10.084 1.00 0.00 N ATOM 482 CA ILE A 66 28.551 -4.727 -10.994 1.00 0.00 C ATOM 483 C ILE A 66 27.309 -3.877 -10.706 1.00 0.00 C ATOM 484 O ILE A 66 26.613 -3.462 -11.632 1.00 0.00 O ATOM 485 CB ILE A 66 28.270 -6.232 -10.837 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.492 -7.022 -11.342 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.028 -6.619 -11.650 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.451 -8.462 -10.833 1.00 0.00 C ATOM 0 H ILE A 66 29.951 -5.114 -9.491 1.00 0.00 H new ATOM 0 HA ILE A 66 28.841 -4.540 -12.028 1.00 0.00 H new ATOM 0 HB ILE A 66 28.088 -6.465 -9.788 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.510 -7.016 -12.432 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.409 -6.538 -11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.835 -7.686 -11.534 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.168 -6.054 -11.292 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.197 -6.393 -12.703 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.323 -9.003 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.457 -8.463 -9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.544 -8.949 -11.191 1.00 0.00 H new ATOM 500 N ALA A 67 27.040 -3.611 -9.422 1.00 0.00 N ATOM 501 CA ALA A 67 25.902 -2.799 -9.022 1.00 0.00 C ATOM 502 C ALA A 67 26.055 -1.379 -9.569 1.00 0.00 C ATOM 503 O ALA A 67 25.088 -0.793 -10.042 1.00 0.00 O ATOM 504 CB ALA A 67 25.797 -2.785 -7.497 1.00 0.00 C ATOM 0 H ALA A 67 27.604 -3.952 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 67 24.987 -3.225 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.944 -2.176 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.663 -3.803 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.709 -2.365 -7.073 1.00 0.00 H new ATOM 510 N ASN A 68 27.274 -0.825 -9.511 1.00 0.00 N ATOM 511 CA ASN A 68 27.530 0.519 -10.020 1.00 0.00 C ATOM 512 C ASN A 68 27.222 0.580 -11.520 1.00 0.00 C ATOM 513 O ASN A 68 26.780 1.614 -12.016 1.00 0.00 O ATOM 514 CB ASN A 68 28.989 0.914 -9.748 1.00 0.00 C ATOM 515 CG ASN A 68 29.118 1.645 -8.415 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.241 2.866 -8.385 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.092 0.898 -7.312 1.00 0.00 N ATOM 0 H ASN A 68 28.092 -1.289 -9.117 1.00 0.00 H new ATOM 0 HA ASN A 68 26.879 1.227 -9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.616 0.022 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.353 1.552 -10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.176 1.338 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.988 -0.114 -7.384 1.00 0.00 H new ATOM 524 N TYR A 69 27.452 -0.528 -12.241 1.00 0.00 N ATOM 525 CA TYR A 69 27.187 -0.585 -13.675 1.00 0.00 C ATOM 526 C TYR A 69 25.692 -0.803 -13.940 1.00 0.00 C ATOM 527 O TYR A 69 25.224 -0.536 -15.046 1.00 0.00 O ATOM 528 CB TYR A 69 28.011 -1.715 -14.306 1.00 0.00 C ATOM 529 CG TYR A 69 29.467 -1.355 -14.532 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.802 -0.293 -15.392 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.486 -2.088 -13.895 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.150 0.037 -15.611 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.834 -1.757 -14.117 1.00 0.00 C ATOM 534 CZ TYR A 69 32.165 -0.695 -14.974 1.00 0.00 C ATOM 535 OH TYR A 69 33.474 -0.377 -15.188 1.00 0.00 O ATOM 0 H TYR A 69 27.821 -1.394 -11.848 1.00 0.00 H new ATOM 0 HA TYR A 69 27.476 0.364 -14.126 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.959 -2.594 -13.663 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.562 -1.991 -15.260 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.022 0.269 -15.884 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.232 -2.905 -13.236 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.406 0.854 -16.270 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.616 -2.320 -13.628 1.00 0.00 H new ATOM 0 HH TYR A 69 34.046 -0.981 -14.670 1.00 0.00 H new ATOM 545 N LEU A 70 24.946 -1.287 -12.932 1.00 0.00 N ATOM 546 CA LEU A 70 23.512 -1.537 -13.064 1.00 0.00 C ATOM 547 C LEU A 70 22.746 -0.692 -12.036 1.00 0.00 C ATOM 548 O LEU A 70 22.511 -1.148 -10.918 1.00 0.00 O ATOM 549 CB LEU A 70 23.232 -3.030 -12.842 1.00 0.00 C ATOM 550 CG LEU A 70 23.889 -3.879 -13.942 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.752 -5.359 -13.579 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.203 -3.627 -15.290 1.00 0.00 C ATOM 0 H LEU A 70 25.323 -1.513 -12.011 1.00 0.00 H new ATOM 0 HA LEU A 70 23.180 -1.259 -14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.611 -3.334 -11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.156 -3.206 -12.835 1.00 0.00 H new ATOM 0 HG LEU A 70 24.941 -3.606 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.216 -5.968 -14.355 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.246 -5.547 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.696 -5.617 -13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.679 -4.235 -16.060 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.149 -3.894 -15.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.293 -2.573 -15.553 1.00 0.00 H new ATOM 564 N PRO A 71 22.350 0.544 -12.402 1.00 0.00 N ATOM 565 CA PRO A 71 21.628 1.421 -11.504 1.00 0.00 C ATOM 566 C PRO A 71 20.344 0.754 -11.005 1.00 0.00 C ATOM 567 O PRO A 71 19.694 0.021 -11.747 1.00 0.00 O ATOM 568 CB PRO A 71 21.326 2.690 -12.308 1.00 0.00 C ATOM 569 CG PRO A 71 22.020 2.533 -13.666 1.00 0.00 C ATOM 570 CD PRO A 71 22.601 1.120 -13.707 1.00 0.00 C ATOM 0 HA PRO A 71 22.212 1.653 -10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.251 2.819 -12.436 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.693 3.574 -11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.312 2.683 -14.481 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.807 3.278 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.130 0.528 -14.491 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.669 1.144 -13.923 1.00 0.00 H new ATOM 578 N ASN A 72 19.994 1.022 -9.737 1.00 0.00 N ATOM 579 CA ASN A 72 18.790 0.482 -9.099 1.00 0.00 C ATOM 580 C ASN A 72 18.883 -1.040 -8.918 1.00 0.00 C ATOM 581 O ASN A 72 17.869 -1.687 -8.658 1.00 0.00 O ATOM 582 CB ASN A 72 17.541 0.861 -9.909 1.00 0.00 C ATOM 583 CG ASN A 72 17.490 2.363 -10.174 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.673 2.802 -11.305 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.241 3.150 -9.127 1.00 0.00 N ATOM 0 H ASN A 72 20.544 1.624 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 72 18.709 0.924 -8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.541 0.322 -10.856 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.646 0.554 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.196 4.162 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.095 2.740 -8.204 1.00 0.00 H new ATOM 592 N ARG A 73 20.093 -1.606 -9.041 1.00 0.00 N ATOM 593 CA ARG A 73 20.317 -3.035 -8.839 1.00 0.00 C ATOM 594 C ARG A 73 21.466 -3.200 -7.851 1.00 0.00 C ATOM 595 O ARG A 73 22.622 -3.316 -8.249 1.00 0.00 O ATOM 596 CB ARG A 73 20.638 -3.726 -10.173 1.00 0.00 C ATOM 597 CG ARG A 73 19.514 -3.491 -11.194 1.00 0.00 C ATOM 598 CD ARG A 73 18.263 -4.285 -10.803 1.00 0.00 C ATOM 599 NE ARG A 73 17.217 -4.132 -11.822 1.00 0.00 N ATOM 600 CZ ARG A 73 16.348 -3.103 -11.857 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.292 -2.217 -10.853 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.531 -2.964 -12.907 1.00 0.00 N ATOM 0 H ARG A 73 20.936 -1.085 -9.282 1.00 0.00 H new ATOM 0 HA ARG A 73 19.417 -3.503 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.580 -3.345 -10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.770 -4.796 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.277 -2.428 -11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.848 -3.791 -12.187 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.515 -5.339 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.892 -3.939 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 73 17.144 -4.847 -12.546 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.912 -2.317 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.629 -1.443 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.568 -3.635 -13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.871 -2.187 -12.940 1.00 0.00 H new ATOM 616 N THR A 74 21.136 -3.199 -6.556 1.00 0.00 N ATOM 617 CA THR A 74 22.125 -3.318 -5.495 1.00 0.00 C ATOM 618 C THR A 74 22.930 -4.610 -5.659 1.00 0.00 C ATOM 619 O THR A 74 22.485 -5.545 -6.327 1.00 0.00 O ATOM 620 CB THR A 74 21.400 -3.294 -4.140 1.00 0.00 C ATOM 621 OG1 THR A 74 20.362 -2.335 -4.177 1.00 0.00 O ATOM 622 CG2 THR A 74 22.377 -2.933 -3.018 1.00 0.00 C ATOM 0 H THR A 74 20.176 -3.116 -6.220 1.00 0.00 H new ATOM 0 HA THR A 74 22.824 -2.483 -5.546 1.00 0.00 H new ATOM 0 HB THR A 74 20.986 -4.284 -3.947 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.004 -2.206 -3.274 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.848 -2.920 -2.065 1.00 0.00 H new ATOM 0 HG22 THR A 74 23.176 -3.673 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 74 22.803 -1.948 -3.210 1.00 0.00 H new ATOM 630 N ASP A 75 24.115 -4.658 -5.040 1.00 0.00 N ATOM 631 CA ASP A 75 24.977 -5.831 -5.093 1.00 0.00 C ATOM 632 C ASP A 75 24.201 -7.069 -4.642 1.00 0.00 C ATOM 633 O ASP A 75 24.373 -8.145 -5.209 1.00 0.00 O ATOM 634 CB ASP A 75 26.204 -5.600 -4.203 1.00 0.00 C ATOM 635 CG ASP A 75 25.804 -5.109 -2.818 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.579 -3.885 -2.695 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.729 -5.964 -1.912 1.00 0.00 O ATOM 0 H ASP A 75 24.497 -3.886 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 75 25.313 -5.995 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.769 -6.528 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.863 -4.870 -4.673 1.00 0.00 H new ATOM 642 N VAL A 76 23.341 -6.909 -3.628 1.00 0.00 N ATOM 643 CA VAL A 76 22.530 -8.003 -3.121 1.00 0.00 C ATOM 644 C VAL A 76 21.641 -8.547 -4.240 1.00 0.00 C ATOM 645 O VAL A 76 21.592 -9.752 -4.455 1.00 0.00 O ATOM 646 CB VAL A 76 21.680 -7.510 -1.939 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.762 -8.638 -1.453 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.594 -7.076 -0.789 1.00 0.00 C ATOM 0 H VAL A 76 23.195 -6.022 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 76 23.176 -8.808 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 76 21.076 -6.663 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.162 -8.283 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.104 -8.947 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.367 -9.487 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.987 -6.727 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.202 -7.922 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.245 -6.269 -1.126 1.00 0.00 H new ATOM 658 N GLN A 77 20.937 -7.651 -4.949 1.00 0.00 N ATOM 659 CA GLN A 77 20.042 -8.045 -6.033 1.00 0.00 C ATOM 660 C GLN A 77 20.828 -8.731 -7.148 1.00 0.00 C ATOM 661 O GLN A 77 20.433 -9.795 -7.616 1.00 0.00 O ATOM 662 CB GLN A 77 19.319 -6.807 -6.574 1.00 0.00 C ATOM 663 CG GLN A 77 18.226 -6.366 -5.592 1.00 0.00 C ATOM 664 CD GLN A 77 18.344 -4.879 -5.269 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.396 -4.048 -6.171 1.00 0.00 O ATOM 666 NE2 GLN A 77 18.389 -4.544 -3.980 1.00 0.00 N ATOM 0 H GLN A 77 20.975 -6.645 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 77 19.305 -8.751 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.032 -5.997 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.878 -7.029 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.245 -6.572 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.302 -6.948 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.343 -5.268 -3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.470 -3.564 -3.710 1.00 0.00 H new ATOM 675 N CYS A 78 21.940 -8.119 -7.573 1.00 0.00 N ATOM 676 CA CYS A 78 22.767 -8.674 -8.638 1.00 0.00 C ATOM 677 C CYS A 78 23.215 -10.088 -8.263 1.00 0.00 C ATOM 678 O CYS A 78 23.112 -11.012 -9.071 1.00 0.00 O ATOM 679 CB CYS A 78 23.983 -7.773 -8.874 1.00 0.00 C ATOM 680 SG CYS A 78 23.435 -6.211 -9.610 1.00 0.00 S ATOM 0 H CYS A 78 22.284 -7.238 -7.191 1.00 0.00 H new ATOM 0 HA CYS A 78 22.185 -8.724 -9.558 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.498 -7.584 -7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.695 -8.269 -9.533 1.00 0.00 H new ATOM 0 HG CYS A 78 23.247 -5.331 -8.671 1.00 0.00 H new ATOM 686 N GLN A 79 23.709 -10.250 -7.032 1.00 0.00 N ATOM 687 CA GLN A 79 24.168 -11.538 -6.544 1.00 0.00 C ATOM 688 C GLN A 79 23.007 -12.534 -6.530 1.00 0.00 C ATOM 689 O GLN A 79 23.145 -13.652 -7.019 1.00 0.00 O ATOM 690 CB GLN A 79 24.755 -11.357 -5.139 1.00 0.00 C ATOM 691 CG GLN A 79 25.427 -12.655 -4.679 1.00 0.00 C ATOM 692 CD GLN A 79 25.928 -12.533 -3.242 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.603 -13.364 -2.399 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.720 -11.497 -2.964 1.00 0.00 N ATOM 0 H GLN A 79 23.798 -9.492 -6.355 1.00 0.00 H new ATOM 0 HA GLN A 79 24.941 -11.934 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.481 -10.544 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.966 -11.079 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.719 -13.481 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.261 -12.891 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.964 -10.831 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.082 -11.371 -2.019 1.00 0.00 H new ATOM 703 N HIS A 80 21.861 -12.125 -5.968 1.00 0.00 N ATOM 704 CA HIS A 80 20.687 -12.987 -5.875 1.00 0.00 C ATOM 705 C HIS A 80 20.105 -13.286 -7.256 1.00 0.00 C ATOM 706 O HIS A 80 19.244 -14.154 -7.377 1.00 0.00 O ATOM 707 CB HIS A 80 19.628 -12.329 -4.983 1.00 0.00 C ATOM 708 CG HIS A 80 19.685 -12.831 -3.567 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.551 -12.971 -2.777 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.723 -13.250 -2.773 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.963 -13.454 -1.589 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.281 -13.652 -1.523 1.00 0.00 N ATOM 0 H HIS A 80 21.728 -11.195 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 80 20.994 -13.934 -5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.771 -11.248 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.638 -12.522 -5.395 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.757 -13.265 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.291 -13.661 -0.769 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.830 -14.012 -0.742 1.00 0.00 H new ATOM 720 N ARG A 81 20.562 -12.584 -8.296 1.00 0.00 N ATOM 721 CA ARG A 81 20.090 -12.841 -9.639 1.00 0.00 C ATOM 722 C ARG A 81 20.984 -13.891 -10.290 1.00 0.00 C ATOM 723 O ARG A 81 20.490 -14.900 -10.793 1.00 0.00 O ATOM 724 CB ARG A 81 20.076 -11.540 -10.453 1.00 0.00 C ATOM 725 CG ARG A 81 19.575 -11.808 -11.883 1.00 0.00 C ATOM 726 CD ARG A 81 18.149 -12.374 -11.850 1.00 0.00 C ATOM 727 NE ARG A 81 17.568 -12.411 -13.196 1.00 0.00 N ATOM 728 CZ ARG A 81 16.347 -12.909 -13.452 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.586 -13.373 -12.450 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.887 -12.942 -14.708 1.00 0.00 N ATOM 0 H ARG A 81 21.255 -11.839 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 81 19.069 -13.222 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.433 -10.806 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.078 -11.113 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.594 -10.884 -12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.241 -12.511 -12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.162 -13.379 -11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.526 -11.762 -11.198 1.00 0.00 H new ATOM 0 HE ARG A 81 18.116 -12.042 -13.973 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.934 -13.348 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.659 -13.751 -12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.464 -12.589 -15.472 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.960 -13.320 -14.902 1.00 0.00 H new ATOM 744 N TRP A 82 22.302 -13.658 -10.288 1.00 0.00 N ATOM 745 CA TRP A 82 23.227 -14.576 -10.926 1.00 0.00 C ATOM 746 C TRP A 82 23.454 -15.830 -10.076 1.00 0.00 C ATOM 747 O TRP A 82 23.236 -16.940 -10.558 1.00 0.00 O ATOM 748 CB TRP A 82 24.556 -13.890 -11.220 1.00 0.00 C ATOM 749 CG TRP A 82 25.490 -14.779 -11.970 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.383 -15.611 -11.419 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.584 -15.007 -13.406 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.015 -16.358 -12.376 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.557 -16.029 -13.635 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.936 -14.476 -14.544 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.857 -16.504 -14.912 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.240 -14.953 -15.835 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.191 -15.969 -16.015 1.00 0.00 C ATOM 0 H TRP A 82 22.740 -12.846 -9.853 1.00 0.00 H new ATOM 0 HA TRP A 82 22.777 -14.887 -11.869 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.376 -12.983 -11.798 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.021 -13.584 -10.283 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.579 -15.683 -10.359 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.728 -17.062 -12.184 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.199 -13.696 -14.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.598 -17.279 -15.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.737 -14.533 -16.693 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.407 -16.337 -17.007 1.00 0.00 H new ATOM 768 N GLN A 83 23.903 -15.663 -8.819 1.00 0.00 N ATOM 769 CA GLN A 83 24.202 -16.798 -7.939 1.00 0.00 C ATOM 770 C GLN A 83 22.907 -17.401 -7.381 1.00 0.00 C ATOM 771 O GLN A 83 22.820 -17.697 -6.189 1.00 0.00 O ATOM 772 CB GLN A 83 25.115 -16.333 -6.790 1.00 0.00 C ATOM 773 CG GLN A 83 26.509 -15.979 -7.322 1.00 0.00 C ATOM 774 CD GLN A 83 27.262 -17.226 -7.784 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.698 -17.304 -8.928 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.416 -18.203 -6.890 1.00 0.00 N ATOM 0 H GLN A 83 24.066 -14.751 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 83 24.715 -17.568 -8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.676 -15.465 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.194 -17.120 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.416 -15.279 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 83 27.080 -15.475 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.038 -18.097 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.912 -19.056 -7.147 1.00 0.00 H new ATOM 785 N LYS A 84 21.904 -17.581 -8.243 1.00 0.00 N ATOM 786 CA LYS A 84 20.632 -18.150 -7.845 1.00 0.00 C ATOM 787 C LYS A 84 19.876 -18.642 -9.081 1.00 0.00 C ATOM 788 O LYS A 84 19.244 -19.695 -9.035 1.00 0.00 O ATOM 789 CB LYS A 84 19.823 -17.095 -7.080 1.00 0.00 C ATOM 790 CG LYS A 84 19.524 -17.593 -5.663 1.00 0.00 C ATOM 791 CD LYS A 84 18.757 -16.513 -4.892 1.00 0.00 C ATOM 792 CE LYS A 84 18.679 -16.884 -3.407 1.00 0.00 C ATOM 793 NZ LYS A 84 19.970 -16.657 -2.728 1.00 0.00 N ATOM 0 H LYS A 84 21.958 -17.335 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 84 20.794 -19.004 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.380 -16.159 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.891 -16.887 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.937 -18.511 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 84 20.454 -17.832 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.253 -15.550 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.753 -16.406 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.902 -16.292 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.392 -17.931 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 20.160 -17.442 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 20.730 -16.605 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 19.930 -15.764 -2.197 1.00 0.00 H new ATOM 807 N VAL A 85 19.939 -17.869 -10.186 1.00 0.00 N ATOM 808 CA VAL A 85 19.235 -18.214 -11.416 1.00 0.00 C ATOM 809 C VAL A 85 20.238 -18.544 -12.530 1.00 0.00 C ATOM 810 O VAL A 85 20.267 -19.675 -13.014 1.00 0.00 O ATOM 811 CB VAL A 85 18.312 -17.050 -11.820 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.416 -17.482 -12.985 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.434 -16.644 -10.629 1.00 0.00 C ATOM 0 H VAL A 85 20.474 -17.002 -10.240 1.00 0.00 H new ATOM 0 HA VAL A 85 18.623 -19.101 -11.251 1.00 0.00 H new ATOM 0 HB VAL A 85 18.924 -16.201 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.764 -16.656 -13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.036 -17.763 -13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.809 -18.335 -12.681 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.783 -15.820 -10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.826 -17.494 -10.319 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.068 -16.329 -9.800 1.00 0.00 H new ATOM 823 N LEU A 86 21.058 -17.562 -12.943 1.00 0.00 N ATOM 824 CA LEU A 86 22.033 -17.777 -14.011 1.00 0.00 C ATOM 825 C LEU A 86 23.236 -18.537 -13.467 1.00 0.00 C ATOM 826 O LEU A 86 24.253 -17.935 -13.130 1.00 0.00 O ATOM 827 CB LEU A 86 22.512 -16.442 -14.598 1.00 0.00 C ATOM 828 CG LEU A 86 21.426 -15.719 -15.416 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.757 -16.683 -16.400 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.383 -15.102 -14.489 1.00 0.00 C ATOM 0 H LEU A 86 21.061 -16.620 -12.553 1.00 0.00 H new ATOM 0 HA LEU A 86 21.548 -18.355 -14.798 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.841 -15.792 -13.787 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.379 -16.621 -15.234 1.00 0.00 H new ATOM 0 HG LEU A 86 21.903 -14.921 -15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.993 -16.152 -16.968 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.506 -17.082 -17.084 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.295 -17.503 -15.849 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.623 -14.595 -15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.915 -15.887 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.865 -14.383 -13.826 1.00 0.00 H new