USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 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= -0.106 X(o=-0.11,f=-0.009) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 2.33 (180deg=1.88) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.15) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.9!) USER MOD Single : A 58 ASN : amide:sc= 0.79 K(o=0.79,f=-0.45) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.7!) 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 74 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 77 GLN : amide:sc= 0.53 K(o=0.53,f=-3.6!) USER MOD Single : A 78 CYS SG : rot 99:sc= 0.134 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.195 K(o=0.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.113 -8.486 -13.091 1.00 0.00 N ATOM 90 CA TRP A 43 14.236 -8.640 -14.020 1.00 0.00 C ATOM 91 C TRP A 43 13.724 -8.866 -15.451 1.00 0.00 C ATOM 92 O TRP A 43 12.523 -9.022 -15.680 1.00 0.00 O ATOM 93 CB TRP A 43 15.155 -9.796 -13.575 1.00 0.00 C ATOM 94 CG TRP A 43 16.168 -9.431 -12.535 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.980 -9.474 -11.206 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.544 -8.979 -12.716 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.116 -9.086 -10.535 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.125 -8.764 -11.426 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.369 -8.731 -13.837 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.443 -8.325 -11.262 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.698 -8.282 -13.674 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.231 -8.077 -12.390 1.00 0.00 C ATOM 0 HA TRP A 43 14.821 -7.720 -14.010 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.535 -10.606 -13.189 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.677 -10.183 -14.450 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.059 -9.773 -10.728 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.203 -9.042 -9.520 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.978 -8.887 -14.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.849 -8.179 -10.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.310 -8.095 -14.544 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.247 -7.729 -12.275 1.00 0.00 H new ATOM 113 N THR A 44 14.654 -8.874 -16.412 1.00 0.00 N ATOM 114 CA THR A 44 14.342 -9.087 -17.819 1.00 0.00 C ATOM 115 C THR A 44 15.595 -9.625 -18.504 1.00 0.00 C ATOM 116 O THR A 44 16.704 -9.290 -18.092 1.00 0.00 O ATOM 117 CB THR A 44 13.889 -7.761 -18.460 1.00 0.00 C ATOM 118 OG1 THR A 44 12.809 -7.221 -17.729 1.00 0.00 O ATOM 119 CG2 THR A 44 13.438 -8.002 -19.903 1.00 0.00 C ATOM 0 H THR A 44 15.647 -8.732 -16.229 1.00 0.00 H new ATOM 0 HA THR A 44 13.529 -9.805 -17.930 1.00 0.00 H new ATOM 0 HB THR A 44 14.728 -7.065 -18.450 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.526 -6.377 -18.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.120 -7.059 -20.347 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.267 -8.413 -20.479 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.606 -8.706 -19.911 1.00 0.00 H new ATOM 127 N ARG A 45 15.422 -10.459 -19.543 1.00 0.00 N ATOM 128 CA ARG A 45 16.550 -11.049 -20.257 1.00 0.00 C ATOM 129 C ARG A 45 17.566 -9.971 -20.636 1.00 0.00 C ATOM 130 O ARG A 45 18.762 -10.169 -20.467 1.00 0.00 O ATOM 131 CB ARG A 45 16.057 -11.778 -21.512 1.00 0.00 C ATOM 132 CG ARG A 45 17.270 -12.288 -22.300 1.00 0.00 C ATOM 133 CD ARG A 45 16.820 -13.114 -23.501 1.00 0.00 C ATOM 134 NE ARG A 45 17.973 -13.418 -24.356 1.00 0.00 N ATOM 135 CZ ARG A 45 17.894 -14.162 -25.468 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.719 -14.677 -25.855 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.997 -14.388 -26.192 1.00 0.00 N ATOM 0 H ARG A 45 14.508 -10.736 -19.902 1.00 0.00 H new ATOM 0 HA ARG A 45 17.039 -11.769 -19.601 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.411 -12.611 -21.235 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.462 -11.105 -22.130 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.873 -11.445 -22.637 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.903 -12.894 -21.652 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.352 -14.039 -23.163 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.069 -12.566 -24.070 1.00 0.00 H new ATOM 0 HE ARG A 45 18.883 -13.043 -24.090 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.879 -14.503 -25.302 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.664 -15.243 -26.702 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.891 -13.995 -25.896 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.944 -14.953 -27.039 1.00 0.00 H new ATOM 151 N GLU A 46 17.083 -8.836 -21.153 1.00 0.00 N ATOM 152 CA GLU A 46 17.947 -7.738 -21.558 1.00 0.00 C ATOM 153 C GLU A 46 18.883 -7.350 -20.408 1.00 0.00 C ATOM 154 O GLU A 46 20.089 -7.197 -20.612 1.00 0.00 O ATOM 155 CB GLU A 46 17.069 -6.553 -21.988 1.00 0.00 C ATOM 156 CG GLU A 46 17.944 -5.406 -22.525 1.00 0.00 C ATOM 157 CD GLU A 46 18.037 -4.245 -21.533 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.925 -4.511 -20.317 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.225 -3.108 -22.010 1.00 0.00 O ATOM 0 H GLU A 46 16.089 -8.660 -21.299 1.00 0.00 H new ATOM 0 HA GLU A 46 18.570 -8.041 -22.399 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.365 -6.873 -22.757 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.479 -6.203 -21.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.945 -5.782 -22.738 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.532 -5.046 -23.467 1.00 0.00 H new ATOM 166 N GLU A 47 18.325 -7.193 -19.202 1.00 0.00 N ATOM 167 CA GLU A 47 19.101 -6.804 -18.035 1.00 0.00 C ATOM 168 C GLU A 47 20.052 -7.943 -17.647 1.00 0.00 C ATOM 169 O GLU A 47 21.208 -7.698 -17.304 1.00 0.00 O ATOM 170 CB GLU A 47 18.148 -6.465 -16.876 1.00 0.00 C ATOM 171 CG GLU A 47 18.319 -4.999 -16.457 1.00 0.00 C ATOM 172 CD GLU A 47 19.736 -4.715 -15.974 1.00 0.00 C ATOM 173 OE1 GLU A 47 20.049 -5.152 -14.849 1.00 0.00 O ATOM 174 OE2 GLU A 47 20.476 -4.060 -16.744 1.00 0.00 O ATOM 0 H GLU A 47 17.332 -7.332 -19.016 1.00 0.00 H new ATOM 0 HA GLU A 47 19.697 -5.921 -18.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.117 -6.646 -17.180 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.350 -7.119 -16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.084 -4.349 -17.300 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.609 -4.761 -15.664 1.00 0.00 H new ATOM 181 N ASP A 48 19.563 -9.191 -17.707 1.00 0.00 N ATOM 182 CA ASP A 48 20.373 -10.356 -17.374 1.00 0.00 C ATOM 183 C ASP A 48 21.566 -10.454 -18.328 1.00 0.00 C ATOM 184 O ASP A 48 22.646 -10.870 -17.922 1.00 0.00 O ATOM 185 CB ASP A 48 19.517 -11.626 -17.448 1.00 0.00 C ATOM 186 CG ASP A 48 18.510 -11.683 -16.305 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.963 -11.628 -15.143 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.302 -11.786 -16.611 1.00 0.00 O ATOM 0 H ASP A 48 18.607 -9.412 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 48 20.751 -10.251 -16.357 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.990 -11.657 -18.402 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.162 -12.504 -17.412 1.00 0.00 H new ATOM 193 N GLU A 49 21.374 -10.068 -19.596 1.00 0.00 N ATOM 194 CA GLU A 49 22.446 -10.101 -20.582 1.00 0.00 C ATOM 195 C GLU A 49 23.547 -9.126 -20.158 1.00 0.00 C ATOM 196 O GLU A 49 24.732 -9.454 -20.232 1.00 0.00 O ATOM 197 CB GLU A 49 21.887 -9.744 -21.972 1.00 0.00 C ATOM 198 CG GLU A 49 22.203 -10.865 -22.974 1.00 0.00 C ATOM 199 CD GLU A 49 21.294 -12.077 -22.767 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.553 -12.828 -21.800 1.00 0.00 O ATOM 201 OE2 GLU A 49 20.358 -12.235 -23.583 1.00 0.00 O ATOM 0 H GLU A 49 20.482 -9.730 -19.957 1.00 0.00 H new ATOM 0 HA GLU A 49 22.872 -11.103 -20.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.809 -9.594 -21.911 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.321 -8.805 -22.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.084 -10.490 -23.990 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.245 -11.168 -22.866 1.00 0.00 H new ATOM 208 N LYS A 50 23.155 -7.929 -19.699 1.00 0.00 N ATOM 209 CA LYS A 50 24.110 -6.940 -19.221 1.00 0.00 C ATOM 210 C LYS A 50 24.835 -7.496 -17.996 1.00 0.00 C ATOM 211 O LYS A 50 26.053 -7.363 -17.885 1.00 0.00 O ATOM 212 CB LYS A 50 23.383 -5.637 -18.872 1.00 0.00 C ATOM 213 CG LYS A 50 23.349 -4.716 -20.096 1.00 0.00 C ATOM 214 CD LYS A 50 22.435 -3.520 -19.812 1.00 0.00 C ATOM 215 CE LYS A 50 20.987 -3.893 -20.137 1.00 0.00 C ATOM 216 NZ LYS A 50 20.037 -3.152 -19.290 1.00 0.00 N ATOM 0 H LYS A 50 22.181 -7.630 -19.652 1.00 0.00 H new ATOM 0 HA LYS A 50 24.840 -6.725 -20.001 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.367 -5.854 -18.541 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.888 -5.139 -18.045 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.355 -4.370 -20.332 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.988 -5.264 -20.966 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.519 -3.225 -18.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.744 -2.663 -20.411 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.782 -3.682 -21.187 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.845 -4.964 -19.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.085 -3.557 -19.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.331 -3.223 -18.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.023 -2.152 -19.576 1.00 0.00 H new ATOM 230 N LEU A 51 24.083 -8.124 -17.079 1.00 0.00 N ATOM 231 CA LEU A 51 24.663 -8.709 -15.881 1.00 0.00 C ATOM 232 C LEU A 51 25.737 -9.722 -16.279 1.00 0.00 C ATOM 233 O LEU A 51 26.859 -9.648 -15.795 1.00 0.00 O ATOM 234 CB LEU A 51 23.559 -9.367 -15.039 1.00 0.00 C ATOM 235 CG LEU A 51 24.138 -9.915 -13.723 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.668 -8.766 -12.861 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.043 -10.658 -12.955 1.00 0.00 C ATOM 0 H LEU A 51 23.072 -8.235 -17.153 1.00 0.00 H new ATOM 0 HA LEU A 51 25.131 -7.932 -15.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.776 -8.640 -14.824 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.096 -10.176 -15.604 1.00 0.00 H new ATOM 0 HG LEU A 51 24.957 -10.597 -13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.075 -9.166 -11.932 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.452 -8.236 -13.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.855 -8.077 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.452 -11.047 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.224 -9.973 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.671 -11.485 -13.560 1.00 0.00 H new ATOM 249 N LYS A 52 25.388 -10.662 -17.172 1.00 0.00 N ATOM 250 CA LYS A 52 26.331 -11.667 -17.659 1.00 0.00 C ATOM 251 C LYS A 52 27.617 -11.002 -18.146 1.00 0.00 C ATOM 252 O LYS A 52 28.707 -11.395 -17.744 1.00 0.00 O ATOM 253 CB LYS A 52 25.690 -12.457 -18.804 1.00 0.00 C ATOM 254 CG LYS A 52 24.672 -13.444 -18.243 1.00 0.00 C ATOM 255 CD LYS A 52 23.889 -14.089 -19.389 1.00 0.00 C ATOM 256 CE LYS A 52 22.491 -14.484 -18.903 1.00 0.00 C ATOM 257 NZ LYS A 52 21.636 -14.892 -20.031 1.00 0.00 N ATOM 0 H LYS A 52 24.452 -10.742 -17.570 1.00 0.00 H new ATOM 0 HA LYS A 52 26.578 -12.344 -16.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.203 -11.775 -19.501 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.458 -12.991 -19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.180 -14.212 -17.660 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.988 -12.931 -17.567 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.811 -13.394 -20.225 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.419 -14.968 -19.754 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.569 -15.302 -18.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.033 -13.644 -18.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.773 -15.344 -19.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.378 -14.055 -20.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.152 -15.566 -20.632 1.00 0.00 H new ATOM 271 N LYS A 53 27.485 -9.998 -19.021 1.00 0.00 N ATOM 272 CA LYS A 53 28.634 -9.302 -19.582 1.00 0.00 C ATOM 273 C LYS A 53 29.510 -8.716 -18.469 1.00 0.00 C ATOM 274 O LYS A 53 30.723 -8.926 -18.458 1.00 0.00 O ATOM 275 CB LYS A 53 28.137 -8.201 -20.527 1.00 0.00 C ATOM 276 CG LYS A 53 29.328 -7.485 -21.169 1.00 0.00 C ATOM 277 CD LYS A 53 28.828 -6.526 -22.251 1.00 0.00 C ATOM 278 CE LYS A 53 30.013 -5.765 -22.851 1.00 0.00 C ATOM 279 NZ LYS A 53 29.575 -4.875 -23.940 1.00 0.00 N ATOM 0 H LYS A 53 26.585 -9.653 -19.354 1.00 0.00 H new ATOM 0 HA LYS A 53 29.248 -10.007 -20.143 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.502 -8.633 -21.300 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.526 -7.486 -19.976 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.886 -6.935 -20.411 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.013 -8.214 -21.603 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.307 -7.082 -23.031 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.110 -5.825 -21.826 1.00 0.00 H new ATOM 0 HE2 LYS A 53 30.504 -5.179 -22.074 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.750 -6.473 -23.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.398 -4.371 -24.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.128 -5.439 -24.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.890 -4.185 -23.570 1.00 0.00 H new ATOM 293 N LEU A 54 28.897 -7.979 -17.538 1.00 0.00 N ATOM 294 CA LEU A 54 29.630 -7.348 -16.446 1.00 0.00 C ATOM 295 C LEU A 54 30.313 -8.404 -15.575 1.00 0.00 C ATOM 296 O LEU A 54 31.455 -8.215 -15.165 1.00 0.00 O ATOM 297 CB LEU A 54 28.667 -6.498 -15.610 1.00 0.00 C ATOM 298 CG LEU A 54 28.212 -5.267 -16.409 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.940 -4.698 -15.781 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.308 -4.196 -16.391 1.00 0.00 C ATOM 0 H LEU A 54 27.892 -7.807 -17.522 1.00 0.00 H new ATOM 0 HA LEU A 54 30.405 -6.704 -16.861 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.801 -7.094 -15.323 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.156 -6.182 -14.689 1.00 0.00 H new ATOM 0 HG LEU A 54 28.016 -5.562 -17.440 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.615 -3.824 -16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.155 -5.454 -15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.141 -4.409 -14.750 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.977 -3.327 -16.960 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.511 -3.900 -15.362 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.217 -4.598 -16.839 1.00 0.00 H new ATOM 312 N VAL A 55 29.617 -9.510 -15.293 1.00 0.00 N ATOM 313 CA VAL A 55 30.163 -10.584 -14.473 1.00 0.00 C ATOM 314 C VAL A 55 31.353 -11.230 -15.184 1.00 0.00 C ATOM 315 O VAL A 55 32.363 -11.522 -14.554 1.00 0.00 O ATOM 316 CB VAL A 55 29.058 -11.617 -14.188 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.672 -12.914 -13.652 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.089 -11.054 -13.145 1.00 0.00 C ATOM 0 H VAL A 55 28.668 -9.681 -15.626 1.00 0.00 H new ATOM 0 HA VAL A 55 30.517 -10.182 -13.524 1.00 0.00 H new ATOM 0 HB VAL A 55 28.525 -11.828 -15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.880 -13.637 -13.454 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.361 -13.323 -14.391 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.213 -12.706 -12.729 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.306 -11.785 -12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.631 -10.839 -12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.639 -10.137 -13.524 1.00 0.00 H new ATOM 328 N GLU A 56 31.230 -11.453 -16.495 1.00 0.00 N ATOM 329 CA GLU A 56 32.290 -12.067 -17.280 1.00 0.00 C ATOM 330 C GLU A 56 33.554 -11.206 -17.216 1.00 0.00 C ATOM 331 O GLU A 56 34.653 -11.727 -17.036 1.00 0.00 O ATOM 332 CB GLU A 56 31.806 -12.228 -18.729 1.00 0.00 C ATOM 333 CG GLU A 56 32.802 -13.073 -19.536 1.00 0.00 C ATOM 334 CD GLU A 56 32.860 -14.508 -19.021 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.769 -15.088 -18.826 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.994 -14.999 -18.833 1.00 0.00 O ATOM 0 H GLU A 56 30.398 -11.213 -17.034 1.00 0.00 H new ATOM 0 HA GLU A 56 32.533 -13.050 -16.876 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.824 -12.702 -18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.692 -11.248 -19.192 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.513 -13.073 -20.587 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.793 -12.624 -19.478 1.00 0.00 H new ATOM 343 N GLN A 57 33.394 -9.886 -17.369 1.00 0.00 N ATOM 344 CA GLN A 57 34.521 -8.964 -17.352 1.00 0.00 C ATOM 345 C GLN A 57 35.110 -8.853 -15.943 1.00 0.00 C ATOM 346 O GLN A 57 36.319 -8.993 -15.769 1.00 0.00 O ATOM 347 CB GLN A 57 34.059 -7.590 -17.850 1.00 0.00 C ATOM 348 CG GLN A 57 33.811 -7.643 -19.361 1.00 0.00 C ATOM 349 CD GLN A 57 33.397 -6.276 -19.896 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.262 -6.091 -20.324 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.323 -5.316 -19.871 1.00 0.00 N ATOM 0 H GLN A 57 32.488 -9.437 -17.506 1.00 0.00 H new ATOM 0 HA GLN A 57 35.301 -9.343 -18.012 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.147 -7.293 -17.333 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.814 -6.838 -17.622 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.715 -7.978 -19.870 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.033 -8.374 -19.580 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.254 -5.515 -19.506 1.00 0.00 H new ATOM 0 HE22 GLN A 57 34.100 -4.383 -20.217 1.00 0.00 H new ATOM 360 N ASN A 58 34.259 -8.588 -14.944 1.00 0.00 N ATOM 361 CA ASN A 58 34.709 -8.415 -13.567 1.00 0.00 C ATOM 362 C ASN A 58 34.802 -9.772 -12.866 1.00 0.00 C ATOM 363 O ASN A 58 35.888 -10.336 -12.750 1.00 0.00 O ATOM 364 CB ASN A 58 33.742 -7.479 -12.827 1.00 0.00 C ATOM 365 CG ASN A 58 33.761 -6.080 -13.435 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.585 -5.251 -13.061 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.850 -5.819 -14.372 1.00 0.00 N ATOM 0 H ASN A 58 33.252 -8.489 -15.070 1.00 0.00 H new ATOM 0 HA ASN A 58 35.702 -7.967 -13.563 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.731 -7.885 -12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.017 -7.425 -11.774 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.818 -4.898 -14.810 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.185 -6.540 -14.651 1.00 0.00 H new ATOM 374 N GLY A 59 33.663 -10.286 -12.392 1.00 0.00 N ATOM 375 CA GLY A 59 33.613 -11.558 -11.689 1.00 0.00 C ATOM 376 C GLY A 59 32.416 -11.575 -10.744 1.00 0.00 C ATOM 377 O GLY A 59 31.740 -10.562 -10.581 1.00 0.00 O ATOM 0 H GLY A 59 32.756 -9.829 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.536 -12.377 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.535 -11.711 -11.127 1.00 0.00 H new ATOM 381 N THR A 60 32.158 -12.728 -10.118 1.00 0.00 N ATOM 382 CA THR A 60 31.050 -12.873 -9.181 1.00 0.00 C ATOM 383 C THR A 60 31.501 -12.507 -7.760 1.00 0.00 C ATOM 384 O THR A 60 30.797 -12.802 -6.798 1.00 0.00 O ATOM 385 CB THR A 60 30.542 -14.320 -9.228 1.00 0.00 C ATOM 386 OG1 THR A 60 31.622 -15.207 -9.026 1.00 0.00 O ATOM 387 CG2 THR A 60 29.904 -14.604 -10.588 1.00 0.00 C ATOM 0 H THR A 60 32.708 -13.577 -10.248 1.00 0.00 H new ATOM 0 HA THR A 60 30.243 -12.197 -9.463 1.00 0.00 H new ATOM 0 HB THR A 60 29.798 -14.462 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.296 -16.131 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.546 -15.633 -10.614 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.067 -13.924 -10.746 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.644 -14.458 -11.375 1.00 0.00 H new ATOM 395 N ASP A 61 32.676 -11.871 -7.632 1.00 0.00 N ATOM 396 CA ASP A 61 33.213 -11.488 -6.335 1.00 0.00 C ATOM 397 C ASP A 61 32.736 -10.082 -5.965 1.00 0.00 C ATOM 398 O ASP A 61 31.880 -9.926 -5.094 1.00 0.00 O ATOM 399 CB ASP A 61 34.743 -11.564 -6.385 1.00 0.00 C ATOM 400 CG ASP A 61 35.349 -11.201 -5.035 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.159 -12.002 -4.095 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.992 -10.133 -4.970 1.00 0.00 O ATOM 0 H ASP A 61 33.269 -11.614 -8.421 1.00 0.00 H new ATOM 0 HA ASP A 61 32.855 -12.172 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.052 -12.570 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.120 -10.887 -7.151 1.00 0.00 H new ATOM 407 N ASP A 62 33.292 -9.057 -6.627 1.00 0.00 N ATOM 408 CA ASP A 62 32.935 -7.672 -6.353 1.00 0.00 C ATOM 409 C ASP A 62 31.588 -7.328 -6.992 1.00 0.00 C ATOM 410 O ASP A 62 31.528 -6.809 -8.108 1.00 0.00 O ATOM 411 CB ASP A 62 34.052 -6.735 -6.852 1.00 0.00 C ATOM 412 CG ASP A 62 34.600 -5.885 -5.710 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.777 -5.171 -5.092 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.825 -5.960 -5.479 1.00 0.00 O ATOM 0 H ASP A 62 33.994 -9.170 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 62 32.831 -7.535 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.857 -7.324 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.665 -6.088 -7.639 1.00 0.00 H new ATOM 419 N TRP A 63 30.501 -7.608 -6.269 1.00 0.00 N ATOM 420 CA TRP A 63 29.164 -7.281 -6.735 1.00 0.00 C ATOM 421 C TRP A 63 28.951 -5.768 -6.654 1.00 0.00 C ATOM 422 O TRP A 63 28.093 -5.227 -7.345 1.00 0.00 O ATOM 423 CB TRP A 63 28.132 -8.036 -5.897 1.00 0.00 C ATOM 424 CG TRP A 63 28.058 -9.499 -6.200 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.361 -10.496 -5.351 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.665 -10.156 -7.443 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.193 -11.721 -5.951 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.765 -11.571 -7.258 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.235 -9.707 -8.715 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.462 -12.482 -8.273 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.925 -10.625 -9.740 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.043 -12.007 -9.520 1.00 0.00 C ATOM 0 H TRP A 63 30.528 -8.062 -5.356 1.00 0.00 H new ATOM 0 HA TRP A 63 29.045 -7.586 -7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.370 -7.905 -4.841 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.150 -7.591 -6.060 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.692 -10.353 -4.333 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.361 -12.618 -5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.143 -8.647 -8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.551 -13.544 -8.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.594 -10.262 -10.702 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.810 -12.702 -10.313 1.00 0.00 H new ATOM 443 N LYS A 64 29.747 -5.087 -5.815 1.00 0.00 N ATOM 444 CA LYS A 64 29.673 -3.643 -5.676 1.00 0.00 C ATOM 445 C LYS A 64 30.006 -2.988 -7.016 1.00 0.00 C ATOM 446 O LYS A 64 29.290 -2.098 -7.467 1.00 0.00 O ATOM 447 CB LYS A 64 30.656 -3.196 -4.588 1.00 0.00 C ATOM 448 CG LYS A 64 30.562 -1.681 -4.385 1.00 0.00 C ATOM 449 CD LYS A 64 31.547 -1.252 -3.296 1.00 0.00 C ATOM 450 CE LYS A 64 31.509 0.270 -3.139 1.00 0.00 C ATOM 451 NZ LYS A 64 32.478 0.721 -2.124 1.00 0.00 N ATOM 0 H LYS A 64 30.451 -5.527 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 64 28.667 -3.340 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.434 -3.711 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.672 -3.471 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.786 -1.163 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.547 -1.403 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.291 -1.732 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 64 32.555 -1.576 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.732 0.743 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.505 0.585 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 32.433 1.756 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 32.249 0.286 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.437 0.440 -2.411 1.00 0.00 H new ATOM 465 N VAL A 65 31.096 -3.437 -7.652 1.00 0.00 N ATOM 466 CA VAL A 65 31.520 -2.902 -8.939 1.00 0.00 C ATOM 467 C VAL A 65 30.379 -3.032 -9.946 1.00 0.00 C ATOM 468 O VAL A 65 30.057 -2.078 -10.651 1.00 0.00 O ATOM 469 CB VAL A 65 32.765 -3.661 -9.421 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.156 -3.182 -10.821 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.928 -3.409 -8.458 1.00 0.00 C ATOM 0 H VAL A 65 31.699 -4.174 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 65 31.774 -1.847 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 65 32.541 -4.727 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.040 -3.724 -11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.333 -3.366 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.374 -2.114 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.810 -3.949 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.147 -2.342 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.657 -3.757 -7.461 1.00 0.00 H new ATOM 481 N ILE A 66 29.767 -4.216 -10.006 1.00 0.00 N ATOM 482 CA ILE A 66 28.665 -4.471 -10.917 1.00 0.00 C ATOM 483 C ILE A 66 27.487 -3.554 -10.574 1.00 0.00 C ATOM 484 O ILE A 66 26.831 -3.028 -11.471 1.00 0.00 O ATOM 485 CB ILE A 66 28.280 -5.956 -10.832 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.422 -6.798 -11.429 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.986 -6.208 -11.617 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.329 -8.243 -10.947 1.00 0.00 C ATOM 0 H ILE A 66 30.023 -5.015 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 66 28.960 -4.253 -11.943 1.00 0.00 H new ATOM 0 HB ILE A 66 28.117 -6.234 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.373 -6.768 -12.517 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.384 -6.374 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.720 -7.263 -11.552 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.182 -5.604 -11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.135 -5.936 -12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.144 -8.824 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.401 -8.269 -9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.375 -8.670 -11.258 1.00 0.00 H new ATOM 500 N ALA A 67 27.226 -3.355 -9.276 1.00 0.00 N ATOM 501 CA ALA A 67 26.142 -2.491 -8.829 1.00 0.00 C ATOM 502 C ALA A 67 26.389 -1.052 -9.290 1.00 0.00 C ATOM 503 O ALA A 67 25.446 -0.345 -9.631 1.00 0.00 O ATOM 504 CB ALA A 67 26.025 -2.559 -7.307 1.00 0.00 C ATOM 0 H ALA A 67 27.757 -3.786 -8.519 1.00 0.00 H new ATOM 0 HA ALA A 67 25.205 -2.833 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.213 -1.912 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.818 -3.585 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.960 -2.229 -6.855 1.00 0.00 H new ATOM 510 N ASN A 68 27.658 -0.616 -9.305 1.00 0.00 N ATOM 511 CA ASN A 68 27.996 0.733 -9.747 1.00 0.00 C ATOM 512 C ASN A 68 27.638 0.897 -11.226 1.00 0.00 C ATOM 513 O ASN A 68 27.239 1.981 -11.647 1.00 0.00 O ATOM 514 CB ASN A 68 29.489 1.011 -9.516 1.00 0.00 C ATOM 515 CG ASN A 68 29.857 0.937 -8.033 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.834 0.290 -7.666 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.077 1.604 -7.180 1.00 0.00 N ATOM 0 H ASN A 68 28.458 -1.179 -9.017 1.00 0.00 H new ATOM 0 HA ASN A 68 27.422 1.454 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 68 30.084 0.289 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.739 1.998 -9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.283 1.588 -6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.275 2.129 -7.527 1.00 0.00 H new ATOM 524 N TYR A 69 27.773 -0.182 -12.013 1.00 0.00 N ATOM 525 CA TYR A 69 27.440 -0.147 -13.432 1.00 0.00 C ATOM 526 C TYR A 69 25.925 -0.266 -13.611 1.00 0.00 C ATOM 527 O TYR A 69 25.369 0.307 -14.547 1.00 0.00 O ATOM 528 CB TYR A 69 28.160 -1.287 -14.163 1.00 0.00 C ATOM 529 CG TYR A 69 29.639 -1.029 -14.379 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.053 0.050 -15.183 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.599 -1.872 -13.789 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.422 0.286 -15.392 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.968 -1.634 -14.001 1.00 0.00 C ATOM 534 CZ TYR A 69 32.379 -0.556 -14.801 1.00 0.00 C ATOM 535 OH TYR A 69 33.708 -0.328 -15.007 1.00 0.00 O ATOM 0 H TYR A 69 28.111 -1.086 -11.684 1.00 0.00 H new ATOM 0 HA TYR A 69 27.768 0.801 -13.858 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.040 -2.207 -13.592 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.682 -1.447 -15.130 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.318 0.696 -15.639 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.284 -2.702 -13.173 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.739 1.115 -16.007 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.704 -2.281 -13.548 1.00 0.00 H new ATOM 0 HH TYR A 69 34.234 -1.001 -14.526 1.00 0.00 H new ATOM 545 N LEU A 70 25.260 -1.006 -12.708 1.00 0.00 N ATOM 546 CA LEU A 70 23.811 -1.185 -12.749 1.00 0.00 C ATOM 547 C LEU A 70 23.191 -0.659 -11.450 1.00 0.00 C ATOM 548 O LEU A 70 22.862 -1.449 -10.570 1.00 0.00 O ATOM 549 CB LEU A 70 23.485 -2.678 -12.919 1.00 0.00 C ATOM 550 CG LEU A 70 23.907 -3.180 -14.308 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.735 -4.700 -14.362 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.035 -2.536 -15.392 1.00 0.00 C ATOM 0 H LEU A 70 25.715 -1.492 -11.935 1.00 0.00 H new ATOM 0 HA LEU A 70 23.398 -0.629 -13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.997 -3.255 -12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.416 -2.838 -12.780 1.00 0.00 H new ATOM 0 HG LEU A 70 24.949 -2.912 -14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.032 -5.065 -15.345 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.359 -5.164 -13.598 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.691 -4.955 -14.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.344 -2.900 -16.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.990 -2.797 -15.221 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.149 -1.453 -15.355 1.00 0.00 H new ATOM 564 N PRO A 71 23.019 0.674 -11.318 1.00 0.00 N ATOM 565 CA PRO A 71 22.435 1.268 -10.127 1.00 0.00 C ATOM 566 C PRO A 71 21.026 0.723 -9.878 1.00 0.00 C ATOM 567 O PRO A 71 20.580 0.654 -8.734 1.00 0.00 O ATOM 568 CB PRO A 71 22.411 2.779 -10.380 1.00 0.00 C ATOM 569 CG PRO A 71 22.974 3.007 -11.789 1.00 0.00 C ATOM 570 CD PRO A 71 23.390 1.640 -12.330 1.00 0.00 C ATOM 0 HA PRO A 71 23.014 1.028 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.395 3.167 -10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.010 3.304 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.225 3.465 -12.434 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.827 3.686 -11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.889 1.426 -13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.462 1.608 -12.524 1.00 0.00 H new ATOM 578 N ASN A 72 20.328 0.337 -10.954 1.00 0.00 N ATOM 579 CA ASN A 72 18.975 -0.195 -10.859 1.00 0.00 C ATOM 580 C ASN A 72 18.968 -1.561 -10.159 1.00 0.00 C ATOM 581 O ASN A 72 17.907 -2.034 -9.752 1.00 0.00 O ATOM 582 CB ASN A 72 18.383 -0.316 -12.267 1.00 0.00 C ATOM 583 CG ASN A 72 18.373 1.036 -12.975 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.538 1.885 -12.679 1.00 0.00 O ATOM 585 ND2 ASN A 72 19.303 1.234 -13.910 1.00 0.00 N ATOM 0 H ASN A 72 20.689 0.387 -11.907 1.00 0.00 H new ATOM 0 HA ASN A 72 18.368 0.486 -10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.964 -1.031 -12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.367 -0.706 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.340 2.121 -14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 72 19.977 0.499 -14.123 1.00 0.00 H new ATOM 592 N ARG A 73 20.147 -2.194 -10.025 1.00 0.00 N ATOM 593 CA ARG A 73 20.274 -3.495 -9.377 1.00 0.00 C ATOM 594 C ARG A 73 21.441 -3.447 -8.391 1.00 0.00 C ATOM 595 O ARG A 73 22.598 -3.550 -8.793 1.00 0.00 O ATOM 596 CB ARG A 73 20.517 -4.582 -10.436 1.00 0.00 C ATOM 597 CG ARG A 73 19.375 -4.622 -11.461 1.00 0.00 C ATOM 598 CD ARG A 73 18.102 -5.183 -10.820 1.00 0.00 C ATOM 599 NE ARG A 73 17.069 -5.406 -11.840 1.00 0.00 N ATOM 600 CZ ARG A 73 16.283 -4.427 -12.324 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.325 -3.195 -11.797 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.452 -4.686 -13.341 1.00 0.00 N ATOM 0 H ARG A 73 21.030 -1.813 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 73 19.356 -3.733 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.461 -4.392 -10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.607 -5.553 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.186 -3.619 -11.843 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.663 -5.239 -12.312 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.327 -6.120 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.732 -4.490 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 73 16.941 -6.352 -12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.957 -2.993 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.725 -2.460 -12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.417 -5.622 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.854 -3.948 -13.712 1.00 0.00 H new ATOM 616 N THR A 74 21.138 -3.285 -7.096 1.00 0.00 N ATOM 617 CA THR A 74 22.169 -3.201 -6.068 1.00 0.00 C ATOM 618 C THR A 74 22.970 -4.512 -6.000 1.00 0.00 C ATOM 619 O THR A 74 22.622 -5.500 -6.649 1.00 0.00 O ATOM 620 CB THR A 74 21.523 -2.853 -4.717 1.00 0.00 C ATOM 621 OG1 THR A 74 22.531 -2.515 -3.790 1.00 0.00 O ATOM 622 CG2 THR A 74 20.717 -4.038 -4.183 1.00 0.00 C ATOM 0 H THR A 74 20.185 -3.210 -6.741 1.00 0.00 H new ATOM 0 HA THR A 74 22.872 -2.408 -6.321 1.00 0.00 H new ATOM 0 HB THR A 74 20.849 -2.008 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.121 -2.291 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.268 -3.771 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.931 -4.293 -4.894 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.377 -4.895 -4.048 1.00 0.00 H new ATOM 630 N ASP A 75 24.053 -4.505 -5.216 1.00 0.00 N ATOM 631 CA ASP A 75 24.946 -5.653 -5.094 1.00 0.00 C ATOM 632 C ASP A 75 24.184 -6.899 -4.632 1.00 0.00 C ATOM 633 O ASP A 75 24.349 -7.967 -5.213 1.00 0.00 O ATOM 634 CB ASP A 75 26.090 -5.310 -4.126 1.00 0.00 C ATOM 635 CG ASP A 75 25.594 -5.150 -2.690 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.619 -4.390 -2.504 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.200 -5.793 -1.807 1.00 0.00 O ATOM 0 H ASP A 75 24.332 -3.703 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 75 25.368 -5.880 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.845 -6.095 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.573 -4.388 -4.448 1.00 0.00 H new ATOM 642 N VAL A 76 23.355 -6.765 -3.592 1.00 0.00 N ATOM 643 CA VAL A 76 22.591 -7.888 -3.061 1.00 0.00 C ATOM 644 C VAL A 76 21.650 -8.446 -4.133 1.00 0.00 C ATOM 645 O VAL A 76 21.491 -9.661 -4.247 1.00 0.00 O ATOM 646 CB VAL A 76 21.799 -7.430 -1.824 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.931 -8.583 -1.305 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.769 -6.995 -0.721 1.00 0.00 C ATOM 0 H VAL A 76 23.199 -5.884 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 76 23.276 -8.684 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 76 21.161 -6.591 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.373 -8.252 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.234 -8.893 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.568 -9.424 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.204 -6.671 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.410 -7.833 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.384 -6.170 -1.082 1.00 0.00 H new ATOM 658 N GLN A 77 21.025 -7.558 -4.915 1.00 0.00 N ATOM 659 CA GLN A 77 20.086 -7.962 -5.948 1.00 0.00 C ATOM 660 C GLN A 77 20.818 -8.729 -7.051 1.00 0.00 C ATOM 661 O GLN A 77 20.360 -9.785 -7.475 1.00 0.00 O ATOM 662 CB GLN A 77 19.390 -6.711 -6.502 1.00 0.00 C ATOM 663 CG GLN A 77 18.376 -7.092 -7.587 1.00 0.00 C ATOM 664 CD GLN A 77 17.325 -8.064 -7.060 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.153 -9.149 -7.609 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.620 -7.674 -5.997 1.00 0.00 N ATOM 0 H GLN A 77 21.159 -6.549 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 77 19.331 -8.628 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.884 -6.182 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.133 -6.028 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.886 -6.192 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.898 -7.543 -8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.798 -6.763 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.903 -8.287 -5.608 1.00 0.00 H new ATOM 675 N CYS A 78 21.955 -8.196 -7.509 1.00 0.00 N ATOM 676 CA CYS A 78 22.748 -8.837 -8.550 1.00 0.00 C ATOM 677 C CYS A 78 23.267 -10.185 -8.053 1.00 0.00 C ATOM 678 O CYS A 78 23.213 -11.180 -8.778 1.00 0.00 O ATOM 679 CB CYS A 78 23.909 -7.919 -8.934 1.00 0.00 C ATOM 680 SG CYS A 78 23.264 -6.563 -9.942 1.00 0.00 S ATOM 0 H CYS A 78 22.344 -7.317 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 78 22.129 -9.013 -9.430 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.394 -7.528 -8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.664 -8.476 -9.488 1.00 0.00 H new ATOM 0 HG CYS A 78 23.105 -5.508 -9.199 1.00 0.00 H new ATOM 686 N GLN A 79 23.766 -10.215 -6.812 1.00 0.00 N ATOM 687 CA GLN A 79 24.283 -11.431 -6.210 1.00 0.00 C ATOM 688 C GLN A 79 23.196 -12.500 -6.194 1.00 0.00 C ATOM 689 O GLN A 79 23.421 -13.615 -6.653 1.00 0.00 O ATOM 690 CB GLN A 79 24.770 -11.124 -4.790 1.00 0.00 C ATOM 691 CG GLN A 79 25.316 -12.398 -4.140 1.00 0.00 C ATOM 692 CD GLN A 79 26.044 -12.075 -2.841 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.258 -12.232 -2.752 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.299 -11.623 -1.834 1.00 0.00 N ATOM 0 H GLN A 79 23.819 -9.396 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 79 25.123 -11.807 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.546 -10.359 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.950 -10.724 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.497 -13.089 -3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.996 -12.900 -4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.293 -11.509 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.735 -11.391 -0.941 1.00 0.00 H new ATOM 703 N HIS A 80 22.017 -12.153 -5.666 1.00 0.00 N ATOM 704 CA HIS A 80 20.896 -13.076 -5.603 1.00 0.00 C ATOM 705 C HIS A 80 20.529 -13.546 -7.002 1.00 0.00 C ATOM 706 O HIS A 80 20.476 -14.743 -7.256 1.00 0.00 O ATOM 707 CB HIS A 80 19.695 -12.382 -4.952 1.00 0.00 C ATOM 708 CG HIS A 80 19.721 -12.435 -3.448 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.760 -11.805 -2.668 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.564 -13.040 -2.548 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.071 -12.064 -1.384 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.162 -12.816 -1.241 1.00 0.00 N ATOM 0 H HIS A 80 21.821 -11.231 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 80 21.178 -13.942 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.669 -11.340 -5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.777 -12.848 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.433 -13.619 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.492 -11.697 -0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.596 -13.146 -0.379 1.00 0.00 H new ATOM 720 N ARG A 81 20.267 -12.598 -7.905 1.00 0.00 N ATOM 721 CA ARG A 81 19.867 -12.912 -9.264 1.00 0.00 C ATOM 722 C ARG A 81 20.795 -13.962 -9.870 1.00 0.00 C ATOM 723 O ARG A 81 20.326 -14.934 -10.453 1.00 0.00 O ATOM 724 CB ARG A 81 19.874 -11.629 -10.106 1.00 0.00 C ATOM 725 CG ARG A 81 19.474 -11.935 -11.559 1.00 0.00 C ATOM 726 CD ARG A 81 18.063 -12.532 -11.605 1.00 0.00 C ATOM 727 NE ARG A 81 17.527 -12.507 -12.971 1.00 0.00 N ATOM 728 CZ ARG A 81 16.292 -12.937 -13.281 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.480 -13.400 -12.321 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.870 -12.900 -14.550 1.00 0.00 N ATOM 0 H ARG A 81 20.328 -11.599 -7.709 1.00 0.00 H new ATOM 0 HA ARG A 81 18.859 -13.326 -9.254 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.183 -10.903 -9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.866 -11.178 -10.083 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.510 -11.022 -12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.186 -12.632 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.086 -13.558 -11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.405 -11.971 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 81 18.119 -12.147 -13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.799 -13.427 -11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.543 -13.726 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.486 -12.546 -15.282 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.933 -13.226 -14.785 1.00 0.00 H new ATOM 744 N TRP A 82 22.109 -13.770 -9.745 1.00 0.00 N ATOM 745 CA TRP A 82 23.050 -14.695 -10.338 1.00 0.00 C ATOM 746 C TRP A 82 23.174 -15.978 -9.516 1.00 0.00 C ATOM 747 O TRP A 82 22.852 -17.056 -10.009 1.00 0.00 O ATOM 748 CB TRP A 82 24.416 -14.039 -10.506 1.00 0.00 C ATOM 749 CG TRP A 82 25.319 -14.848 -11.371 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.335 -15.618 -10.953 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.257 -15.037 -12.812 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.909 -16.285 -12.007 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.277 -15.961 -13.194 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.431 -14.535 -13.841 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.461 -16.366 -14.519 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.613 -14.943 -15.176 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.623 -15.860 -15.512 1.00 0.00 C ATOM 0 H TRP A 82 22.533 -12.990 -9.243 1.00 0.00 H new ATOM 0 HA TRP A 82 22.666 -14.966 -11.322 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.291 -13.047 -10.940 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.876 -13.904 -9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.658 -15.702 -9.926 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.694 -16.931 -11.926 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.650 -13.829 -13.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.245 -17.064 -14.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 23.970 -14.548 -15.949 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.750 -16.173 -16.538 1.00 0.00 H new ATOM 768 N GLN A 83 23.659 -15.869 -8.273 1.00 0.00 N ATOM 769 CA GLN A 83 23.919 -17.034 -7.427 1.00 0.00 C ATOM 770 C GLN A 83 22.625 -17.629 -6.852 1.00 0.00 C ATOM 771 O GLN A 83 22.627 -18.123 -5.724 1.00 0.00 O ATOM 772 CB GLN A 83 24.874 -16.626 -6.294 1.00 0.00 C ATOM 773 CG GLN A 83 26.196 -16.113 -6.881 1.00 0.00 C ATOM 774 CD GLN A 83 27.197 -15.778 -5.777 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.653 -14.641 -5.673 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.541 -16.769 -4.955 1.00 0.00 N ATOM 0 H GLN A 83 23.880 -14.977 -7.831 1.00 0.00 H new ATOM 0 HA GLN A 83 24.378 -17.810 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.414 -15.851 -5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.063 -17.479 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.620 -16.868 -7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.008 -15.226 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.137 -17.697 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.208 -16.599 -4.202 1.00 0.00 H new ATOM 785 N LYS A 84 21.527 -17.595 -7.617 1.00 0.00 N ATOM 786 CA LYS A 84 20.266 -18.175 -7.169 1.00 0.00 C ATOM 787 C LYS A 84 19.314 -18.441 -8.347 1.00 0.00 C ATOM 788 O LYS A 84 18.269 -19.058 -8.145 1.00 0.00 O ATOM 789 CB LYS A 84 19.611 -17.244 -6.137 1.00 0.00 C ATOM 790 CG LYS A 84 18.738 -18.053 -5.169 1.00 0.00 C ATOM 791 CD LYS A 84 18.591 -17.297 -3.842 1.00 0.00 C ATOM 792 CE LYS A 84 17.920 -15.940 -4.078 1.00 0.00 C ATOM 793 NZ LYS A 84 17.714 -15.225 -2.805 1.00 0.00 N ATOM 0 H LYS A 84 21.491 -17.173 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 84 20.476 -19.138 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.380 -16.707 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.004 -16.495 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.756 -18.226 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.186 -19.031 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.999 -17.887 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.571 -17.152 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.537 -15.336 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.962 -16.086 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.258 -14.309 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.106 -15.794 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.632 -15.067 -2.343 1.00 0.00 H new ATOM 807 N VAL A 85 19.655 -17.982 -9.574 1.00 0.00 N ATOM 808 CA VAL A 85 18.790 -18.185 -10.735 1.00 0.00 C ATOM 809 C VAL A 85 19.632 -18.589 -11.949 1.00 0.00 C ATOM 810 O VAL A 85 19.467 -19.689 -12.474 1.00 0.00 O ATOM 811 CB VAL A 85 17.975 -16.907 -11.026 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.839 -17.238 -11.997 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.380 -16.343 -9.727 1.00 0.00 C ATOM 0 H VAL A 85 20.517 -17.475 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 85 18.087 -18.990 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 85 18.637 -16.162 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.262 -16.336 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.256 -17.623 -12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.188 -17.991 -11.552 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.808 -15.442 -9.950 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.724 -17.086 -9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.185 -16.100 -9.034 1.00 0.00 H new ATOM 823 N LEU A 86 20.533 -17.703 -12.402 1.00 0.00 N ATOM 824 CA LEU A 86 21.376 -17.994 -13.558 1.00 0.00 C ATOM 825 C LEU A 86 22.404 -19.061 -13.193 1.00 0.00 C ATOM 826 O LEU A 86 22.863 -19.126 -12.055 1.00 0.00 O ATOM 827 CB LEU A 86 22.112 -16.725 -14.026 1.00 0.00 C ATOM 828 CG LEU A 86 21.213 -15.779 -14.854 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.425 -16.555 -15.915 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.254 -15.017 -13.942 1.00 0.00 C ATOM 0 H LEU A 86 20.691 -16.786 -11.984 1.00 0.00 H new ATOM 0 HA LEU A 86 20.738 -18.354 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.491 -16.189 -13.156 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.977 -17.012 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 86 21.860 -15.064 -15.363 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.801 -15.864 -16.482 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.119 -17.055 -16.590 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.793 -17.298 -15.428 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.629 -14.356 -14.542 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.622 -15.725 -13.405 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.825 -14.425 -13.226 1.00 0.00 H new