USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 0:sc= 0.547 USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.137 USER MOD Single : A 27 SER OG : rot -160:sc= -1.32 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= -0.135 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.89 K(o=-3.9,f=-2) USER MOD Single : A 50 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.29) USER MOD Single : A 58 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-6.5!) USER MOD Single : A 59 GLN : amide:sc= -5.05! C(o=-5!,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.707 11.354 1.286 1.00 0.00 N ATOM 82 CA PRO A 9 -0.723 9.904 1.075 1.00 0.00 C ATOM 83 C PRO A 9 -1.223 9.526 -0.315 1.00 0.00 C ATOM 84 O PRO A 9 -1.990 10.266 -0.931 1.00 0.00 O ATOM 85 CB PRO A 9 -1.692 9.399 2.147 1.00 0.00 C ATOM 86 CG PRO A 9 -2.584 10.559 2.427 1.00 0.00 C ATOM 87 CD PRO A 9 -1.735 11.787 2.248 1.00 0.00 C ATOM 0 HA PRO A 9 0.275 9.471 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.260 8.539 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.160 9.083 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.435 10.570 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.986 10.507 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.317 12.625 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.293 12.111 3.190 1.00 0.00 H new ATOM 95 N ILE A 10 -0.783 8.371 -0.803 1.00 0.00 N ATOM 96 CA ILE A 10 -1.187 7.895 -2.120 1.00 0.00 C ATOM 97 C ILE A 10 -2.178 6.742 -2.008 1.00 0.00 C ATOM 98 O ILE A 10 -1.863 5.692 -1.448 1.00 0.00 O ATOM 99 CB ILE A 10 0.026 7.435 -2.950 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.080 8.543 -3.009 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.411 7.038 -4.352 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.449 8.052 -3.428 1.00 0.00 C ATOM 0 H ILE A 10 -0.147 7.748 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.665 8.734 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 10 0.468 6.563 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.749 9.312 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.156 9.014 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.458 6.715 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.130 6.221 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.874 7.893 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.146 8.890 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.801 7.305 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.388 7.607 -4.421 1.00 0.00 H new ATOM 114 N GLU A 11 -3.378 6.944 -2.545 1.00 0.00 N ATOM 115 CA GLU A 11 -4.415 5.920 -2.505 1.00 0.00 C ATOM 116 C GLU A 11 -4.141 4.829 -3.536 1.00 0.00 C ATOM 117 O GLU A 11 -4.307 5.040 -4.737 1.00 0.00 O ATOM 118 CB GLU A 11 -5.789 6.544 -2.758 1.00 0.00 C ATOM 119 CG GLU A 11 -6.461 7.067 -1.500 1.00 0.00 C ATOM 120 CD GLU A 11 -7.446 8.184 -1.786 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.997 9.308 -2.089 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.667 7.932 -1.706 1.00 0.00 O ATOM 0 H GLU A 11 -3.655 7.807 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.407 5.469 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.681 7.363 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.436 5.801 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.981 6.248 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.699 7.428 -0.809 1.00 0.00 H new ATOM 129 N ALA A 12 -3.721 3.662 -3.057 1.00 0.00 N ATOM 130 CA ALA A 12 -3.426 2.538 -3.936 1.00 0.00 C ATOM 131 C ALA A 12 -4.528 1.485 -3.869 1.00 0.00 C ATOM 132 O ALA A 12 -5.379 1.520 -2.980 1.00 0.00 O ATOM 133 CB ALA A 12 -2.083 1.922 -3.573 1.00 0.00 C ATOM 0 H ALA A 12 -3.578 3.471 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.377 2.912 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.876 1.083 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.299 2.671 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.111 1.569 -2.542 1.00 0.00 H new ATOM 139 N ILE A 13 -4.506 0.552 -4.815 1.00 0.00 N ATOM 140 CA ILE A 13 -5.503 -0.510 -4.862 1.00 0.00 C ATOM 141 C ILE A 13 -4.844 -1.885 -4.836 1.00 0.00 C ATOM 142 O ILE A 13 -3.808 -2.100 -5.465 1.00 0.00 O ATOM 143 CB ILE A 13 -6.384 -0.400 -6.121 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.058 0.972 -6.180 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.425 -1.509 -6.137 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.978 1.244 -5.010 1.00 0.00 C ATOM 0 H ILE A 13 -3.809 0.510 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.130 -0.393 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.750 -0.510 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.289 1.744 -6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.628 1.048 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.040 -1.418 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.925 -2.477 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.057 -1.427 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.421 2.234 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.768 0.494 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.409 1.201 -4.082 1.00 0.00 H new ATOM 158 N ALA A 14 -5.452 -2.813 -4.105 1.00 0.00 N ATOM 159 CA ALA A 14 -4.926 -4.168 -3.999 1.00 0.00 C ATOM 160 C ALA A 14 -5.224 -4.972 -5.260 1.00 0.00 C ATOM 161 O ALA A 14 -6.384 -5.202 -5.603 1.00 0.00 O ATOM 162 CB ALA A 14 -5.506 -4.866 -2.777 1.00 0.00 C ATOM 0 H ALA A 14 -6.310 -2.651 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.844 -4.103 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.104 -5.877 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.238 -4.309 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.591 -4.912 -2.865 1.00 0.00 H new ATOM 168 N LYS A 15 -4.170 -5.398 -5.948 1.00 0.00 N ATOM 169 CA LYS A 15 -4.318 -6.177 -7.171 1.00 0.00 C ATOM 170 C LYS A 15 -4.758 -7.603 -6.858 1.00 0.00 C ATOM 171 O LYS A 15 -5.571 -8.185 -7.577 1.00 0.00 O ATOM 172 CB LYS A 15 -3.000 -6.198 -7.949 1.00 0.00 C ATOM 173 CG LYS A 15 -2.883 -5.086 -8.977 1.00 0.00 C ATOM 174 CD LYS A 15 -1.942 -5.469 -10.107 1.00 0.00 C ATOM 175 CE LYS A 15 -0.485 -5.329 -9.691 1.00 0.00 C ATOM 176 NZ LYS A 15 0.438 -5.468 -10.851 1.00 0.00 N ATOM 0 H LYS A 15 -3.203 -5.216 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.087 -5.704 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.171 -6.120 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.901 -7.159 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.869 -4.860 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.522 -4.178 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.137 -6.497 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.136 -4.837 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.333 -4.358 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.246 -6.086 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.421 -5.367 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.312 -6.405 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.227 -4.730 -11.553 1.00 0.00 H new ATOM 190 N PHE A 16 -4.217 -8.162 -5.780 1.00 0.00 N ATOM 191 CA PHE A 16 -4.555 -9.520 -5.372 1.00 0.00 C ATOM 192 C PHE A 16 -4.554 -9.647 -3.851 1.00 0.00 C ATOM 193 O PHE A 16 -3.670 -9.122 -3.174 1.00 0.00 O ATOM 194 CB PHE A 16 -3.567 -10.518 -5.978 1.00 0.00 C ATOM 195 CG PHE A 16 -3.068 -10.118 -7.337 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.744 -10.511 -8.481 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.924 -9.348 -7.471 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.286 -10.144 -9.733 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.462 -8.978 -8.720 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.145 -9.375 -9.852 1.00 0.00 C ATOM 0 H PHE A 16 -3.543 -7.695 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.557 -9.743 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.716 -10.629 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.047 -11.494 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.638 -11.110 -8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.387 -9.033 -6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.820 -10.459 -10.617 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.568 -8.379 -8.810 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.788 -9.085 -10.829 1.00 0.00 H new ATOM 210 N ASP A 17 -5.551 -10.347 -3.321 1.00 0.00 N ATOM 211 CA ASP A 17 -5.667 -10.544 -1.881 1.00 0.00 C ATOM 212 C ASP A 17 -4.318 -10.919 -1.274 1.00 0.00 C ATOM 213 O ASP A 17 -3.785 -11.997 -1.539 1.00 0.00 O ATOM 214 CB ASP A 17 -6.698 -11.630 -1.574 1.00 0.00 C ATOM 215 CG ASP A 17 -6.641 -12.778 -2.563 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.553 -13.025 -3.124 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.685 -13.430 -2.775 1.00 0.00 O ATOM 0 H ASP A 17 -6.291 -10.788 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.997 -9.605 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.530 -12.013 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.696 -11.193 -1.586 1.00 0.00 H new ATOM 222 N TYR A 18 -3.772 -10.023 -0.460 1.00 0.00 N ATOM 223 CA TYR A 18 -2.484 -10.259 0.182 1.00 0.00 C ATOM 224 C TYR A 18 -2.640 -10.360 1.696 1.00 0.00 C ATOM 225 O TYR A 18 -3.444 -9.648 2.298 1.00 0.00 O ATOM 226 CB TYR A 18 -1.504 -9.137 -0.168 1.00 0.00 C ATOM 227 CG TYR A 18 -0.088 -9.405 0.292 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.331 -9.039 1.565 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.829 -10.027 -0.547 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.624 -9.281 1.988 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.123 -10.275 -0.131 1.00 0.00 C ATOM 232 CZ TYR A 18 2.516 -9.899 1.137 1.00 0.00 C ATOM 233 OH TYR A 18 3.804 -10.144 1.556 1.00 0.00 O ATOM 0 H TYR A 18 -4.201 -9.127 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.090 -11.206 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.505 -8.989 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.853 -8.207 0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.366 -8.557 2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.525 -10.321 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.934 -8.988 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.823 -10.761 -0.795 1.00 0.00 H new ATOM 0 HH TYR A 18 3.916 -9.820 2.474 1.00 0.00 H new ATOM 243 N VAL A 19 -1.864 -11.250 2.306 1.00 0.00 N ATOM 244 CA VAL A 19 -1.913 -11.444 3.750 1.00 0.00 C ATOM 245 C VAL A 19 -0.533 -11.273 4.375 1.00 0.00 C ATOM 246 O VAL A 19 0.427 -11.930 3.975 1.00 0.00 O ATOM 247 CB VAL A 19 -2.458 -12.839 4.111 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.653 -13.924 3.412 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.447 -13.042 5.618 1.00 0.00 C ATOM 0 H VAL A 19 -1.194 -11.848 1.823 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.586 -10.685 4.148 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.490 -12.907 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.052 -14.902 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.719 -13.787 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.610 -13.861 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.835 -14.033 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.426 -12.954 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.072 -12.285 6.092 1.00 0.00 H new ATOM 259 N GLY A 20 -0.442 -10.385 5.361 1.00 0.00 N ATOM 260 CA GLY A 20 0.825 -10.143 6.026 1.00 0.00 C ATOM 261 C GLY A 20 1.292 -11.337 6.835 1.00 0.00 C ATOM 262 O GLY A 20 0.780 -11.596 7.923 1.00 0.00 O ATOM 0 H GLY A 20 -1.223 -9.829 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.581 -9.894 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.728 -9.278 6.683 1.00 0.00 H new ATOM 266 N ARG A 21 2.267 -12.066 6.301 1.00 0.00 N ATOM 267 CA ARG A 21 2.801 -13.241 6.979 1.00 0.00 C ATOM 268 C ARG A 21 3.316 -12.879 8.369 1.00 0.00 C ATOM 269 O ARG A 21 3.182 -13.656 9.315 1.00 0.00 O ATOM 270 CB ARG A 21 3.927 -13.865 6.153 1.00 0.00 C ATOM 271 CG ARG A 21 3.433 -14.774 5.039 1.00 0.00 C ATOM 272 CD ARG A 21 4.577 -15.244 4.155 1.00 0.00 C ATOM 273 NE ARG A 21 4.115 -16.123 3.083 1.00 0.00 N ATOM 274 CZ ARG A 21 3.401 -15.703 2.045 1.00 0.00 C ATOM 275 NH1 ARG A 21 3.068 -14.424 1.939 1.00 0.00 N ATOM 276 NH2 ARG A 21 3.018 -16.563 1.110 1.00 0.00 N ATOM 0 H ARG A 21 2.703 -11.864 5.401 1.00 0.00 H new ATOM 0 HA ARG A 21 1.994 -13.966 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.532 -13.069 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.578 -14.436 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.927 -15.638 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.698 -14.243 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.080 -14.379 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.313 -15.770 4.763 1.00 0.00 H new ATOM 0 HE ARG A 21 4.354 -17.113 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.360 -13.760 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.520 -14.104 1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.272 -17.548 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.470 -16.239 0.313 1.00 0.00 H new ATOM 290 N THR A 22 3.908 -11.694 8.485 1.00 0.00 N ATOM 291 CA THR A 22 4.445 -11.230 9.758 1.00 0.00 C ATOM 292 C THR A 22 3.642 -10.051 10.296 1.00 0.00 C ATOM 293 O THR A 22 2.764 -9.523 9.615 1.00 0.00 O ATOM 294 CB THR A 22 5.922 -10.813 9.626 1.00 0.00 C ATOM 295 OG1 THR A 22 6.041 -9.713 8.716 1.00 0.00 O ATOM 296 CG2 THR A 22 6.771 -11.976 9.137 1.00 0.00 C ATOM 0 H THR A 22 4.027 -11.039 7.713 1.00 0.00 H new ATOM 0 HA THR A 22 4.372 -12.065 10.455 1.00 0.00 H new ATOM 0 HB THR A 22 6.281 -10.511 10.610 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.829 -10.015 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.810 -11.657 9.052 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.701 -12.801 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.411 -12.305 8.162 1.00 0.00 H new ATOM 304 N ALA A 23 3.950 -9.642 11.523 1.00 0.00 N ATOM 305 CA ALA A 23 3.258 -8.523 12.151 1.00 0.00 C ATOM 306 C ALA A 23 3.445 -7.241 11.347 1.00 0.00 C ATOM 307 O ALA A 23 2.494 -6.490 11.129 1.00 0.00 O ATOM 308 CB ALA A 23 3.752 -8.331 13.577 1.00 0.00 C ATOM 0 H ALA A 23 4.674 -10.069 12.101 1.00 0.00 H new ATOM 0 HA ALA A 23 2.193 -8.753 12.175 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.227 -7.492 14.034 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.561 -9.236 14.153 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.823 -8.127 13.567 1.00 0.00 H new ATOM 314 N ARG A 24 4.676 -6.996 10.910 1.00 0.00 N ATOM 315 CA ARG A 24 4.987 -5.803 10.132 1.00 0.00 C ATOM 316 C ARG A 24 4.128 -5.736 8.873 1.00 0.00 C ATOM 317 O ARG A 24 3.508 -4.712 8.588 1.00 0.00 O ATOM 318 CB ARG A 24 6.469 -5.789 9.752 1.00 0.00 C ATOM 319 CG ARG A 24 7.386 -5.369 10.890 1.00 0.00 C ATOM 320 CD ARG A 24 7.327 -3.869 11.128 1.00 0.00 C ATOM 321 NE ARG A 24 8.056 -3.477 12.331 1.00 0.00 N ATOM 322 CZ ARG A 24 9.378 -3.356 12.383 1.00 0.00 C ATOM 323 NH1 ARG A 24 10.112 -3.595 11.305 1.00 0.00 N ATOM 324 NH2 ARG A 24 9.969 -2.994 13.515 1.00 0.00 N ATOM 0 H ARG A 24 5.474 -7.608 11.082 1.00 0.00 H new ATOM 0 HA ARG A 24 4.768 -4.931 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.758 -6.784 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.613 -5.111 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.101 -5.895 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.410 -5.662 10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.744 -3.348 10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.286 -3.557 11.217 1.00 0.00 H new ATOM 0 HE ARG A 24 7.521 -3.286 13.178 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.662 -3.873 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.127 -3.501 11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.408 -2.808 14.346 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.984 -2.902 13.553 1.00 0.00 H new ATOM 338 N GLU A 25 4.096 -6.834 8.125 1.00 0.00 N ATOM 339 CA GLU A 25 3.314 -6.898 6.896 1.00 0.00 C ATOM 340 C GLU A 25 1.823 -6.757 7.192 1.00 0.00 C ATOM 341 O GLU A 25 1.316 -7.317 8.164 1.00 0.00 O ATOM 342 CB GLU A 25 3.577 -8.216 6.165 1.00 0.00 C ATOM 343 CG GLU A 25 4.937 -8.276 5.489 1.00 0.00 C ATOM 344 CD GLU A 25 5.260 -9.656 4.950 1.00 0.00 C ATOM 345 OE1 GLU A 25 5.310 -10.610 5.754 1.00 0.00 O ATOM 346 OE2 GLU A 25 5.463 -9.781 3.725 1.00 0.00 O ATOM 0 H GLU A 25 4.602 -7.691 8.348 1.00 0.00 H new ATOM 0 HA GLU A 25 3.621 -6.070 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.497 -9.038 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.801 -8.367 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.964 -7.555 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.706 -7.979 6.202 1.00 0.00 H new ATOM 353 N LEU A 26 1.127 -6.004 6.347 1.00 0.00 N ATOM 354 CA LEU A 26 -0.305 -5.788 6.517 1.00 0.00 C ATOM 355 C LEU A 26 -1.109 -6.829 5.745 1.00 0.00 C ATOM 356 O LEU A 26 -0.577 -7.515 4.872 1.00 0.00 O ATOM 357 CB LEU A 26 -0.688 -4.382 6.050 1.00 0.00 C ATOM 358 CG LEU A 26 0.111 -3.231 6.662 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.243 -1.916 5.984 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.139 -3.145 8.160 1.00 0.00 C ATOM 0 H LEU A 26 1.531 -5.533 5.538 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.539 -5.889 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.578 -4.338 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.744 -4.223 6.270 1.00 0.00 H new ATOM 0 HG LEU A 26 1.172 -3.425 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.335 -1.108 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.012 -1.981 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.307 -1.715 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.438 -2.320 8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.200 -2.975 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.166 -4.078 8.634 1.00 0.00 H new ATOM 372 N SER A 27 -2.393 -6.940 6.071 1.00 0.00 N ATOM 373 CA SER A 27 -3.269 -7.899 5.409 1.00 0.00 C ATOM 374 C SER A 27 -4.446 -7.190 4.744 1.00 0.00 C ATOM 375 O SER A 27 -5.166 -6.423 5.384 1.00 0.00 O ATOM 376 CB SER A 27 -3.783 -8.931 6.414 1.00 0.00 C ATOM 377 OG SER A 27 -4.048 -10.171 5.781 1.00 0.00 O ATOM 0 H SER A 27 -2.849 -6.378 6.789 1.00 0.00 H new ATOM 0 HA SER A 27 -2.692 -8.410 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.045 -9.073 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.691 -8.560 6.889 1.00 0.00 H new ATOM 0 HG SER A 27 -4.655 -10.700 6.340 1.00 0.00 H new ATOM 383 N PHE A 28 -4.635 -7.452 3.455 1.00 0.00 N ATOM 384 CA PHE A 28 -5.723 -6.839 2.702 1.00 0.00 C ATOM 385 C PHE A 28 -6.244 -7.791 1.629 1.00 0.00 C ATOM 386 O PHE A 28 -5.577 -8.759 1.263 1.00 0.00 O ATOM 387 CB PHE A 28 -5.253 -5.534 2.057 1.00 0.00 C ATOM 388 CG PHE A 28 -3.963 -5.670 1.299 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.959 -6.106 -0.016 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.754 -5.362 1.903 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.774 -6.231 -0.716 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.566 -5.485 1.207 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.576 -5.921 -0.103 1.00 0.00 C ATOM 0 H PHE A 28 -4.049 -8.085 2.910 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.535 -6.621 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.027 -5.174 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.131 -4.778 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.893 -6.351 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.740 -5.022 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.785 -6.571 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.630 -5.240 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.648 -6.019 -0.647 1.00 0.00 H new ATOM 403 N LYS A 29 -7.442 -7.508 1.128 1.00 0.00 N ATOM 404 CA LYS A 29 -8.056 -8.337 0.097 1.00 0.00 C ATOM 405 C LYS A 29 -8.116 -7.593 -1.234 1.00 0.00 C ATOM 406 O LYS A 29 -8.170 -6.364 -1.268 1.00 0.00 O ATOM 407 CB LYS A 29 -9.464 -8.757 0.522 1.00 0.00 C ATOM 408 CG LYS A 29 -9.481 -9.779 1.646 1.00 0.00 C ATOM 409 CD LYS A 29 -9.417 -9.111 3.009 1.00 0.00 C ATOM 410 CE LYS A 29 -10.062 -9.972 4.083 1.00 0.00 C ATOM 411 NZ LYS A 29 -9.609 -9.588 5.449 1.00 0.00 N ATOM 0 H LYS A 29 -8.007 -6.710 1.419 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.441 -9.228 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.018 -7.873 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.987 -9.170 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.387 -10.381 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.637 -10.459 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.377 -8.918 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.919 -8.145 2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.146 -9.879 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.821 -11.019 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.072 -10.198 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.577 -9.701 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.861 -8.596 5.632 1.00 0.00 H new ATOM 425 N LYS A 30 -8.107 -8.347 -2.328 1.00 0.00 N ATOM 426 CA LYS A 30 -8.163 -7.760 -3.662 1.00 0.00 C ATOM 427 C LYS A 30 -9.246 -6.689 -3.740 1.00 0.00 C ATOM 428 O LYS A 30 -10.399 -6.931 -3.388 1.00 0.00 O ATOM 429 CB LYS A 30 -8.428 -8.845 -4.708 1.00 0.00 C ATOM 430 CG LYS A 30 -8.489 -8.317 -6.131 1.00 0.00 C ATOM 431 CD LYS A 30 -8.216 -9.414 -7.145 1.00 0.00 C ATOM 432 CE LYS A 30 -8.336 -8.897 -8.571 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.571 -10.001 -9.543 1.00 0.00 N ATOM 0 H LYS A 30 -8.061 -9.366 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.200 -7.293 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.644 -9.600 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.369 -9.342 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.472 -7.884 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.760 -7.516 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.216 -9.817 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.918 -10.234 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.155 -8.181 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.425 -8.363 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.647 -9.608 -10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.777 -10.672 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.453 -10.495 -9.300 1.00 0.00 H new ATOM 447 N GLY A 31 -8.866 -5.502 -4.206 1.00 0.00 N ATOM 448 CA GLY A 31 -9.817 -4.412 -4.323 1.00 0.00 C ATOM 449 C GLY A 31 -9.816 -3.509 -3.106 1.00 0.00 C ATOM 450 O GLY A 31 -10.104 -2.317 -3.209 1.00 0.00 O ATOM 0 H GLY A 31 -7.917 -5.277 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.582 -3.822 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.817 -4.820 -4.468 1.00 0.00 H new ATOM 454 N ALA A 32 -9.493 -4.077 -1.949 1.00 0.00 N ATOM 455 CA ALA A 32 -9.455 -3.314 -0.707 1.00 0.00 C ATOM 456 C ALA A 32 -8.613 -2.053 -0.863 1.00 0.00 C ATOM 457 O ALA A 32 -7.505 -2.097 -1.398 1.00 0.00 O ATOM 458 CB ALA A 32 -8.915 -4.175 0.425 1.00 0.00 C ATOM 0 H ALA A 32 -9.254 -5.063 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.474 -3.011 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.892 -3.593 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.559 -5.044 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.906 -4.507 0.180 1.00 0.00 H new ATOM 464 N SER A 33 -9.145 -0.929 -0.393 1.00 0.00 N ATOM 465 CA SER A 33 -8.444 0.346 -0.485 1.00 0.00 C ATOM 466 C SER A 33 -7.284 0.400 0.504 1.00 0.00 C ATOM 467 O SER A 33 -7.451 0.120 1.691 1.00 0.00 O ATOM 468 CB SER A 33 -9.409 1.503 -0.220 1.00 0.00 C ATOM 469 OG SER A 33 -8.842 2.740 -0.614 1.00 0.00 O ATOM 0 H SER A 33 -10.060 -0.876 0.055 1.00 0.00 H new ATOM 0 HA SER A 33 -8.043 0.440 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.339 1.336 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.660 1.536 0.840 1.00 0.00 H new ATOM 0 HG SER A 33 -9.479 3.463 -0.436 1.00 0.00 H new ATOM 475 N LEU A 34 -6.107 0.762 0.005 1.00 0.00 N ATOM 476 CA LEU A 34 -4.916 0.853 0.844 1.00 0.00 C ATOM 477 C LEU A 34 -4.266 2.227 0.718 1.00 0.00 C ATOM 478 O LEU A 34 -4.111 2.754 -0.385 1.00 0.00 O ATOM 479 CB LEU A 34 -3.913 -0.235 0.459 1.00 0.00 C ATOM 480 CG LEU A 34 -4.462 -1.661 0.395 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.587 -2.530 -0.495 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.563 -2.257 1.791 1.00 0.00 C ATOM 0 H LEU A 34 -5.951 0.997 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.220 0.708 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.492 0.015 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.092 -0.215 1.176 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.462 -1.626 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.993 -3.541 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.566 -2.114 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.574 -2.559 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.955 -3.272 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.574 -2.279 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.232 -1.648 2.399 1.00 0.00 H new ATOM 494 N LEU A 35 -3.885 2.802 1.853 1.00 0.00 N ATOM 495 CA LEU A 35 -3.249 4.115 1.871 1.00 0.00 C ATOM 496 C LEU A 35 -1.731 3.983 1.937 1.00 0.00 C ATOM 497 O LEU A 35 -1.202 3.116 2.634 1.00 0.00 O ATOM 498 CB LEU A 35 -3.754 4.932 3.061 1.00 0.00 C ATOM 499 CG LEU A 35 -3.829 6.445 2.853 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.971 6.798 1.913 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.993 7.160 4.186 1.00 0.00 C ATOM 0 H LEU A 35 -4.005 2.380 2.774 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.511 4.631 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.748 4.572 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.104 4.734 3.914 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.895 6.776 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.009 7.879 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.811 6.316 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.913 6.453 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.044 8.236 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.911 6.824 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.141 6.933 4.828 1.00 0.00 H new ATOM 513 N LEU A 36 -1.035 4.850 1.210 1.00 0.00 N ATOM 514 CA LEU A 36 0.424 4.832 1.187 1.00 0.00 C ATOM 515 C LEU A 36 0.992 6.144 1.718 1.00 0.00 C ATOM 516 O LEU A 36 0.514 7.225 1.372 1.00 0.00 O ATOM 517 CB LEU A 36 0.929 4.583 -0.235 1.00 0.00 C ATOM 518 CG LEU A 36 0.379 3.339 -0.934 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.018 3.169 -2.304 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.610 2.101 -0.079 1.00 0.00 C ATOM 0 H LEU A 36 -1.457 5.574 0.629 1.00 0.00 H new ATOM 0 HA LEU A 36 0.763 4.022 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.686 5.454 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.016 4.508 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.695 3.468 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.614 2.279 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.801 4.044 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.097 3.063 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.212 1.225 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.679 1.969 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.104 2.221 0.879 1.00 0.00 H new ATOM 532 N TYR A 37 2.016 6.042 2.558 1.00 0.00 N ATOM 533 CA TYR A 37 2.651 7.221 3.137 1.00 0.00 C ATOM 534 C TYR A 37 4.034 7.446 2.534 1.00 0.00 C ATOM 535 O TYR A 37 4.386 8.565 2.163 1.00 0.00 O ATOM 536 CB TYR A 37 2.761 7.072 4.655 1.00 0.00 C ATOM 537 CG TYR A 37 1.426 6.907 5.346 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.373 7.774 5.081 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.218 5.886 6.264 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.848 7.628 5.710 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.000 5.731 6.897 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.030 6.604 6.617 1.00 0.00 C ATOM 543 OH TYR A 37 -2.244 6.454 7.247 1.00 0.00 O ATOM 0 H TYR A 37 2.424 5.155 2.853 1.00 0.00 H new ATOM 0 HA TYR A 37 2.030 8.087 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.387 6.209 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.265 7.948 5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.512 8.576 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.023 5.201 6.487 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.656 8.311 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.145 4.930 7.607 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.775 7.270 7.133 1.00 0.00 H new ATOM 553 N GLN A 38 4.813 6.374 2.441 1.00 0.00 N ATOM 554 CA GLN A 38 6.159 6.453 1.884 1.00 0.00 C ATOM 555 C GLN A 38 6.601 5.102 1.334 1.00 0.00 C ATOM 556 O GLN A 38 5.965 4.079 1.589 1.00 0.00 O ATOM 557 CB GLN A 38 7.147 6.932 2.949 1.00 0.00 C ATOM 558 CG GLN A 38 6.995 6.221 4.284 1.00 0.00 C ATOM 559 CD GLN A 38 7.495 7.052 5.449 1.00 0.00 C ATOM 560 OE1 GLN A 38 6.725 7.428 6.334 1.00 0.00 O ATOM 561 NE2 GLN A 38 8.790 7.345 5.455 1.00 0.00 N ATOM 0 H GLN A 38 4.536 5.440 2.744 1.00 0.00 H new ATOM 0 HA GLN A 38 6.144 7.171 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.163 6.785 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.014 8.003 3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.945 5.975 4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.542 5.279 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.392 7.013 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.183 7.902 6.213 1.00 0.00 H new ATOM 570 N ARG A 39 7.695 5.105 0.579 1.00 0.00 N ATOM 571 CA ARG A 39 8.221 3.879 -0.008 1.00 0.00 C ATOM 572 C ARG A 39 9.307 3.274 0.877 1.00 0.00 C ATOM 573 O ARG A 39 10.450 3.731 0.874 1.00 0.00 O ATOM 574 CB ARG A 39 8.783 4.157 -1.404 1.00 0.00 C ATOM 575 CG ARG A 39 9.234 2.906 -2.140 1.00 0.00 C ATOM 576 CD ARG A 39 8.104 2.304 -2.960 1.00 0.00 C ATOM 577 NE ARG A 39 8.601 1.582 -4.128 1.00 0.00 N ATOM 578 CZ ARG A 39 8.911 2.169 -5.279 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.776 3.481 -5.414 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.356 1.444 -6.296 1.00 0.00 N ATOM 0 H ARG A 39 8.234 5.943 0.360 1.00 0.00 H new ATOM 0 HA ARG A 39 7.402 3.164 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.022 4.663 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.627 4.841 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.070 3.150 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.596 2.170 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.523 1.626 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.429 3.096 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 39 8.717 0.571 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.434 4.041 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.014 3.930 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.461 0.434 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.594 1.896 -7.179 1.00 0.00 H new ATOM 594 N ALA A 40 8.940 2.246 1.634 1.00 0.00 N ATOM 595 CA ALA A 40 9.883 1.578 2.524 1.00 0.00 C ATOM 596 C ALA A 40 11.010 0.920 1.735 1.00 0.00 C ATOM 597 O ALA A 40 12.170 0.954 2.146 1.00 0.00 O ATOM 598 CB ALA A 40 9.162 0.545 3.378 1.00 0.00 C ATOM 0 H ALA A 40 7.997 1.857 1.649 1.00 0.00 H new ATOM 0 HA ALA A 40 10.323 2.331 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.878 0.054 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.396 1.038 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.695 -0.199 2.732 1.00 0.00 H new ATOM 604 N SER A 41 10.662 0.322 0.600 1.00 0.00 N ATOM 605 CA SER A 41 11.645 -0.347 -0.244 1.00 0.00 C ATOM 606 C SER A 41 11.109 -0.531 -1.660 1.00 0.00 C ATOM 607 O SER A 41 9.901 -0.473 -1.891 1.00 0.00 O ATOM 608 CB SER A 41 12.019 -1.706 0.352 1.00 0.00 C ATOM 609 OG SER A 41 13.344 -2.068 0.002 1.00 0.00 O ATOM 0 H SER A 41 9.707 0.287 0.244 1.00 0.00 H new ATOM 0 HA SER A 41 12.536 0.280 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.923 -1.670 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.324 -2.467 -0.004 1.00 0.00 H new ATOM 0 HG SER A 41 13.560 -2.939 0.396 1.00 0.00 H new ATOM 615 N ASP A 42 12.016 -0.753 -2.605 1.00 0.00 N ATOM 616 CA ASP A 42 11.636 -0.947 -3.999 1.00 0.00 C ATOM 617 C ASP A 42 10.538 -1.998 -4.122 1.00 0.00 C ATOM 618 O ASP A 42 9.691 -1.925 -5.013 1.00 0.00 O ATOM 619 CB ASP A 42 12.852 -1.363 -4.828 1.00 0.00 C ATOM 620 CG ASP A 42 13.945 -0.312 -4.821 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.614 0.887 -4.713 1.00 0.00 O ATOM 622 OD2 ASP A 42 15.131 -0.688 -4.924 1.00 0.00 O ATOM 0 H ASP A 42 13.020 -0.803 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 42 11.252 -0.001 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.250 -2.300 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.540 -1.552 -5.855 1.00 0.00 H new ATOM 627 N ASP A 43 10.558 -2.976 -3.223 1.00 0.00 N ATOM 628 CA ASP A 43 9.564 -4.043 -3.231 1.00 0.00 C ATOM 629 C ASP A 43 8.709 -3.998 -1.968 1.00 0.00 C ATOM 630 O ASP A 43 8.224 -5.027 -1.498 1.00 0.00 O ATOM 631 CB ASP A 43 10.248 -5.406 -3.349 1.00 0.00 C ATOM 632 CG ASP A 43 10.612 -5.748 -4.781 1.00 0.00 C ATOM 633 OD1 ASP A 43 11.410 -5.001 -5.385 1.00 0.00 O ATOM 634 OD2 ASP A 43 10.101 -6.764 -5.296 1.00 0.00 O ATOM 0 H ASP A 43 11.252 -3.052 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 43 8.915 -3.895 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.150 -5.411 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.588 -6.177 -2.951 1.00 0.00 H new ATOM 639 N TRP A 44 8.528 -2.799 -1.425 1.00 0.00 N ATOM 640 CA TRP A 44 7.732 -2.620 -0.216 1.00 0.00 C ATOM 641 C TRP A 44 7.245 -1.181 -0.094 1.00 0.00 C ATOM 642 O TRP A 44 7.710 -0.295 -0.811 1.00 0.00 O ATOM 643 CB TRP A 44 8.550 -3.002 1.019 1.00 0.00 C ATOM 644 CG TRP A 44 8.837 -4.469 1.111 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.059 -5.073 1.018 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.884 -5.519 1.311 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.922 -6.434 1.149 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.598 -6.733 1.331 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.497 -5.551 1.478 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.970 -7.962 1.509 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.875 -6.772 1.655 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.611 -7.964 1.670 1.00 0.00 C ATOM 0 H TRP A 44 8.921 -1.937 -1.803 1.00 0.00 H new ATOM 0 HA TRP A 44 6.862 -3.274 -0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.493 -2.455 1.005 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.012 -2.688 1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.995 -4.557 0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.683 -7.112 1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.921 -4.637 1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.535 -8.882 1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.803 -6.808 1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.096 -8.903 1.811 1.00 0.00 H new ATOM 663 N TRP A 45 6.306 -0.954 0.818 1.00 0.00 N ATOM 664 CA TRP A 45 5.756 0.379 1.034 1.00 0.00 C ATOM 665 C TRP A 45 5.426 0.600 2.506 1.00 0.00 C ATOM 666 O TRP A 45 5.421 -0.342 3.297 1.00 0.00 O ATOM 667 CB TRP A 45 4.503 0.580 0.181 1.00 0.00 C ATOM 668 CG TRP A 45 4.804 0.888 -1.255 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.119 -0.008 -2.236 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.819 2.181 -1.869 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.330 0.651 -3.424 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.151 1.994 -3.225 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.583 3.478 -1.406 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.254 3.056 -4.119 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.685 4.531 -2.295 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.017 4.316 -3.639 1.00 0.00 C ATOM 0 H TRP A 45 5.910 -1.676 1.420 1.00 0.00 H new ATOM 0 HA TRP A 45 6.509 1.109 0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.890 -0.320 0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.912 1.393 0.603 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.192 -1.077 -2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.579 0.211 -4.310 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.326 3.654 -0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.512 2.892 -5.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.506 5.538 -1.948 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.087 5.160 -4.309 1.00 0.00 H new ATOM 687 N GLU A 46 5.150 1.850 2.865 1.00 0.00 N ATOM 688 CA GLU A 46 4.819 2.193 4.243 1.00 0.00 C ATOM 689 C GLU A 46 3.511 2.977 4.309 1.00 0.00 C ATOM 690 O GLU A 46 3.479 4.177 4.040 1.00 0.00 O ATOM 691 CB GLU A 46 5.948 3.009 4.874 1.00 0.00 C ATOM 692 CG GLU A 46 7.278 2.275 4.921 1.00 0.00 C ATOM 693 CD GLU A 46 8.135 2.696 6.098 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.883 3.687 5.962 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.060 2.034 7.154 1.00 0.00 O ATOM 0 H GLU A 46 5.149 2.641 2.221 1.00 0.00 H new ATOM 0 HA GLU A 46 4.695 1.265 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.073 3.935 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.661 3.288 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.095 1.202 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.823 2.459 3.995 1.00 0.00 H new ATOM 702 N GLY A 47 2.432 2.288 4.670 1.00 0.00 N ATOM 703 CA GLY A 47 1.137 2.935 4.765 1.00 0.00 C ATOM 704 C GLY A 47 0.324 2.435 5.943 1.00 0.00 C ATOM 705 O GLY A 47 0.879 2.093 6.988 1.00 0.00 O ATOM 0 H GLY A 47 2.432 1.294 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.278 4.012 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.580 2.763 3.844 1.00 0.00 H new ATOM 709 N ARG A 48 -0.994 2.394 5.776 1.00 0.00 N ATOM 710 CA ARG A 48 -1.884 1.936 6.836 1.00 0.00 C ATOM 711 C ARG A 48 -3.091 1.206 6.254 1.00 0.00 C ATOM 712 O ARG A 48 -3.583 1.556 5.181 1.00 0.00 O ATOM 713 CB ARG A 48 -2.351 3.118 7.687 1.00 0.00 C ATOM 714 CG ARG A 48 -3.367 2.739 8.752 1.00 0.00 C ATOM 715 CD ARG A 48 -3.828 3.955 9.540 1.00 0.00 C ATOM 716 NE ARG A 48 -2.966 4.222 10.688 1.00 0.00 N ATOM 717 CZ ARG A 48 -1.852 4.942 10.619 1.00 0.00 C ATOM 718 NH1 ARG A 48 -1.467 5.465 9.463 1.00 0.00 N ATOM 719 NH2 ARG A 48 -1.120 5.141 11.708 1.00 0.00 N ATOM 0 H ARG A 48 -1.469 2.672 4.917 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.329 1.241 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.485 3.572 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.787 3.875 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.227 2.261 8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.928 2.009 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.841 4.827 8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.851 3.798 9.883 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.234 3.834 11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.027 5.315 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.611 6.017 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.413 4.741 12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.265 5.694 11.654 1.00 0.00 H new ATOM 733 N HIS A 49 -3.564 0.190 6.969 1.00 0.00 N ATOM 734 CA HIS A 49 -4.713 -0.589 6.524 1.00 0.00 C ATOM 735 C HIS A 49 -5.685 -0.831 7.675 1.00 0.00 C ATOM 736 O HIS A 49 -5.321 -1.415 8.694 1.00 0.00 O ATOM 737 CB HIS A 49 -4.255 -1.925 5.939 1.00 0.00 C ATOM 738 CG HIS A 49 -5.370 -2.905 5.737 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.857 -3.709 6.745 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.095 -3.205 4.634 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.832 -4.464 6.271 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.997 -4.177 4.992 1.00 0.00 N ATOM 0 H HIS A 49 -3.169 -0.113 7.859 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.228 -0.020 5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.764 -1.744 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.510 -2.366 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.985 -2.763 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.398 -5.192 6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.683 -4.607 4.371 1.00 0.00 H new ATOM 751 N ASN A 50 -6.922 -0.376 7.504 1.00 0.00 N ATOM 752 CA ASN A 50 -7.946 -0.541 8.530 1.00 0.00 C ATOM 753 C ASN A 50 -7.400 -0.176 9.907 1.00 0.00 C ATOM 754 O ASN A 50 -7.712 -0.827 10.903 1.00 0.00 O ATOM 755 CB ASN A 50 -8.460 -1.982 8.539 1.00 0.00 C ATOM 756 CG ASN A 50 -9.737 -2.135 9.341 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.812 -1.723 8.904 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.626 -2.731 10.523 1.00 0.00 N ATOM 0 H ASN A 50 -7.240 0.110 6.665 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.771 0.131 8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.637 -2.308 7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.693 -2.636 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.452 -2.862 11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.715 -3.057 10.846 1.00 0.00 H new ATOM 765 N GLY A 51 -6.583 0.872 9.955 1.00 0.00 N ATOM 766 CA GLY A 51 -6.007 1.307 11.214 1.00 0.00 C ATOM 767 C GLY A 51 -4.804 0.478 11.618 1.00 0.00 C ATOM 768 O GLY A 51 -4.496 0.356 12.804 1.00 0.00 O ATOM 0 H GLY A 51 -6.310 1.427 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.713 2.353 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.764 1.248 11.996 1.00 0.00 H new ATOM 772 N ILE A 52 -4.123 -0.094 10.631 1.00 0.00 N ATOM 773 CA ILE A 52 -2.947 -0.916 10.890 1.00 0.00 C ATOM 774 C ILE A 52 -1.736 -0.401 10.121 1.00 0.00 C ATOM 775 O ILE A 52 -1.725 -0.399 8.890 1.00 0.00 O ATOM 776 CB ILE A 52 -3.194 -2.388 10.512 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.456 -2.910 11.203 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.990 -3.240 10.882 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.307 -3.056 12.701 1.00 0.00 C ATOM 0 H ILE A 52 -4.365 -0.003 9.644 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.748 -0.853 11.960 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.340 -2.451 9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.283 -2.232 10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.721 -3.877 10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.181 -4.278 10.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.111 -2.879 10.348 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.814 -3.174 11.956 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.239 -3.430 13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.502 -3.757 12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.073 -2.086 13.140 1.00 0.00 H new ATOM 791 N ASP A 53 -0.716 0.033 10.854 1.00 0.00 N ATOM 792 CA ASP A 53 0.503 0.547 10.240 1.00 0.00 C ATOM 793 C ASP A 53 1.520 -0.570 10.034 1.00 0.00 C ATOM 794 O ASP A 53 1.847 -1.305 10.964 1.00 0.00 O ATOM 795 CB ASP A 53 1.108 1.652 11.108 1.00 0.00 C ATOM 796 CG ASP A 53 1.814 1.105 12.333 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.328 0.104 12.899 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.852 1.678 12.725 1.00 0.00 O ATOM 0 H ASP A 53 -0.709 0.039 11.874 1.00 0.00 H new ATOM 0 HA ASP A 53 0.244 0.961 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.815 2.231 10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.320 2.336 11.422 1.00 0.00 H new ATOM 803 N GLY A 54 2.017 -0.691 8.806 1.00 0.00 N ATOM 804 CA GLY A 54 2.992 -1.722 8.499 1.00 0.00 C ATOM 805 C GLY A 54 3.555 -1.589 7.098 1.00 0.00 C ATOM 806 O GLY A 54 3.577 -0.495 6.531 1.00 0.00 O ATOM 0 H GLY A 54 1.762 -0.094 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.807 -1.673 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.527 -2.702 8.609 1.00 0.00 H new ATOM 810 N LEU A 55 4.011 -2.703 6.537 1.00 0.00 N ATOM 811 CA LEU A 55 4.579 -2.706 5.194 1.00 0.00 C ATOM 812 C LEU A 55 3.539 -3.137 4.164 1.00 0.00 C ATOM 813 O LEU A 55 2.550 -3.788 4.502 1.00 0.00 O ATOM 814 CB LEU A 55 5.790 -3.638 5.133 1.00 0.00 C ATOM 815 CG LEU A 55 7.082 -3.102 5.752 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.151 -4.183 5.776 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.572 -1.881 4.988 1.00 0.00 C ATOM 0 H LEU A 55 3.998 -3.616 6.991 1.00 0.00 H new ATOM 0 HA LEU A 55 4.898 -1.691 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.531 -4.571 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.985 -3.880 4.088 1.00 0.00 H new ATOM 0 HG LEU A 55 6.874 -2.804 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.063 -3.783 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.800 -5.029 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.357 -4.513 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.492 -1.513 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.763 -2.154 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.812 -1.100 5.024 1.00 0.00 H new ATOM 829 N ILE A 56 3.771 -2.771 2.908 1.00 0.00 N ATOM 830 CA ILE A 56 2.856 -3.123 1.829 1.00 0.00 C ATOM 831 C ILE A 56 3.618 -3.530 0.573 1.00 0.00 C ATOM 832 O ILE A 56 4.516 -2.829 0.107 1.00 0.00 O ATOM 833 CB ILE A 56 1.912 -1.955 1.488 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.853 -1.791 2.580 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.256 -2.182 0.135 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.178 -0.437 2.568 1.00 0.00 C ATOM 0 H ILE A 56 4.584 -2.231 2.612 1.00 0.00 H new ATOM 0 HA ILE A 56 2.263 -3.967 2.181 1.00 0.00 H new ATOM 0 HB ILE A 56 2.497 -1.037 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.096 -2.566 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.319 -1.947 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.592 -1.348 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.025 -2.253 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.681 -3.107 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.560 -0.391 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.924 0.343 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.317 -0.286 1.609 1.00 0.00 H new ATOM 848 N PRO A 57 3.252 -4.691 0.009 1.00 0.00 N ATOM 849 CA PRO A 57 3.887 -5.217 -1.203 1.00 0.00 C ATOM 850 C PRO A 57 3.544 -4.395 -2.441 1.00 0.00 C ATOM 851 O PRO A 57 2.397 -3.987 -2.630 1.00 0.00 O ATOM 852 CB PRO A 57 3.308 -6.629 -1.323 1.00 0.00 C ATOM 853 CG PRO A 57 2.002 -6.564 -0.609 1.00 0.00 C ATOM 854 CD PRO A 57 2.189 -5.579 0.510 1.00 0.00 C ATOM 0 HA PRO A 57 4.975 -5.191 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.175 -6.915 -2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.970 -7.368 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.206 -6.244 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.719 -7.543 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.271 -5.029 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.482 -6.074 1.436 1.00 0.00 H new ATOM 862 N HIS A 58 4.545 -4.154 -3.282 1.00 0.00 N ATOM 863 CA HIS A 58 4.349 -3.380 -4.503 1.00 0.00 C ATOM 864 C HIS A 58 3.902 -4.281 -5.650 1.00 0.00 C ATOM 865 O HIS A 58 3.554 -3.800 -6.728 1.00 0.00 O ATOM 866 CB HIS A 58 5.638 -2.651 -4.883 1.00 0.00 C ATOM 867 CG HIS A 58 5.533 -1.874 -6.159 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.479 -0.497 -6.199 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.474 -2.290 -7.446 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.389 -0.099 -7.455 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.385 -1.167 -8.232 1.00 0.00 N ATOM 0 H HIS A 58 5.500 -4.483 -3.140 1.00 0.00 H new ATOM 0 HA HIS A 58 3.567 -2.644 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.913 -1.972 -4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.444 -3.379 -4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.493 -3.313 -7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.329 0.926 -7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.325 -1.159 -9.250 1.00 0.00 H new ATOM 879 N GLN A 59 3.915 -5.588 -5.410 1.00 0.00 N ATOM 880 CA GLN A 59 3.513 -6.554 -6.425 1.00 0.00 C ATOM 881 C GLN A 59 2.035 -6.907 -6.285 1.00 0.00 C ATOM 882 O GLN A 59 1.421 -7.428 -7.216 1.00 0.00 O ATOM 883 CB GLN A 59 4.364 -7.821 -6.319 1.00 0.00 C ATOM 884 CG GLN A 59 5.855 -7.545 -6.219 1.00 0.00 C ATOM 885 CD GLN A 59 6.224 -6.778 -4.965 1.00 0.00 C ATOM 886 OE1 GLN A 59 7.014 -5.834 -5.010 1.00 0.00 O ATOM 887 NE2 GLN A 59 5.654 -7.180 -3.835 1.00 0.00 N ATOM 0 H GLN A 59 4.199 -6.002 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 59 3.669 -6.101 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.048 -8.389 -5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.177 -8.449 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.397 -8.490 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.175 -6.979 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.005 -7.967 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.865 -6.702 -2.959 1.00 0.00 H new ATOM 896 N TYR A 60 1.472 -6.620 -5.117 1.00 0.00 N ATOM 897 CA TYR A 60 0.067 -6.909 -4.855 1.00 0.00 C ATOM 898 C TYR A 60 -0.737 -5.620 -4.710 1.00 0.00 C ATOM 899 O TYR A 60 -1.799 -5.605 -4.088 1.00 0.00 O ATOM 900 CB TYR A 60 -0.073 -7.755 -3.589 1.00 0.00 C ATOM 901 CG TYR A 60 0.581 -9.114 -3.693 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.965 -9.242 -3.704 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.184 -10.271 -3.780 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.567 -10.481 -3.800 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.410 -11.515 -3.875 1.00 0.00 C ATOM 906 CZ TYR A 60 1.786 -11.615 -3.885 1.00 0.00 C ATOM 907 OH TYR A 60 2.382 -12.851 -3.980 1.00 0.00 O ATOM 0 H TYR A 60 1.967 -6.188 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.327 -7.468 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.365 -7.214 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.132 -7.887 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.580 -8.357 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.261 -10.197 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.644 -10.562 -3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.200 -12.404 -3.941 1.00 0.00 H new ATOM 0 HH TYR A 60 1.691 -13.544 -4.030 1.00 0.00 H new ATOM 917 N ILE A 61 -0.222 -4.541 -5.290 1.00 0.00 N ATOM 918 CA ILE A 61 -0.891 -3.248 -5.228 1.00 0.00 C ATOM 919 C ILE A 61 -0.442 -2.341 -6.368 1.00 0.00 C ATOM 920 O ILE A 61 0.622 -2.543 -6.954 1.00 0.00 O ATOM 921 CB ILE A 61 -0.623 -2.539 -3.887 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.857 -2.173 -3.766 1.00 0.00 C ATOM 923 CG2 ILE A 61 -1.053 -3.423 -2.726 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.188 -0.804 -4.317 1.00 0.00 C ATOM 0 H ILE A 61 0.657 -4.537 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.960 -3.441 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.208 -1.620 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.148 -2.213 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.452 -2.921 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.857 -2.909 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.119 -3.638 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.492 -4.357 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.254 -0.612 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.928 -0.765 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.620 -0.047 -3.776 1.00 0.00 H new ATOM 936 N VAL A 62 -1.259 -1.339 -6.677 1.00 0.00 N ATOM 937 CA VAL A 62 -0.945 -0.398 -7.746 1.00 0.00 C ATOM 938 C VAL A 62 -0.911 1.034 -7.224 1.00 0.00 C ATOM 939 O VAL A 62 -1.949 1.618 -6.913 1.00 0.00 O ATOM 940 CB VAL A 62 -1.968 -0.490 -8.894 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.705 0.590 -9.932 1.00 0.00 C ATOM 942 CG2 VAL A 62 -1.931 -1.872 -9.529 1.00 0.00 C ATOM 0 H VAL A 62 -2.143 -1.158 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 62 0.041 -0.667 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.965 -0.330 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.438 0.509 -10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.786 1.571 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.703 0.465 -10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.660 -1.920 -10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.934 -2.063 -9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.173 -2.624 -8.778 1.00 0.00 H new ATOM 952 N VAL A 63 0.291 1.596 -7.132 1.00 0.00 N ATOM 953 CA VAL A 63 0.461 2.961 -6.649 1.00 0.00 C ATOM 954 C VAL A 63 0.019 3.974 -7.699 1.00 0.00 C ATOM 955 O VAL A 63 0.678 4.148 -8.724 1.00 0.00 O ATOM 956 CB VAL A 63 1.926 3.242 -6.266 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.088 4.679 -5.793 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.394 2.265 -5.198 1.00 0.00 C ATOM 0 H VAL A 63 1.160 1.127 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.165 3.064 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 63 2.548 3.103 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.129 4.859 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.795 5.360 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.456 4.849 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.431 2.478 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.770 2.370 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.317 1.246 -5.578 1.00 0.00 H new