USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.748 K(o=0.75,f=-0.4) USER MOD Single : A 14 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 18 GLN : amide:sc= 0.579 K(o=0.58,f=-6.7!) USER MOD Single : A 19 SER OG : rot 90:sc= 0.908 USER MOD Single : A 21 GLN : amide:sc= -0.818 K(o=-0.82,f=-6.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0809 F(o=-0.64,f=-0.081) USER MOD Single : A 27 GLN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : A 30 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.00047) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 35 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.11) USER MOD Single : A 37 TYR OH : rot 82:sc= 0.0837 USER MOD ----------------------------------------------------------------- ATOM 93 N TYR A 7 1.171 0.834 -3.617 1.00 0.00 N ATOM 94 CA TYR A 7 1.487 -0.369 -4.344 1.00 0.00 C ATOM 95 C TYR A 7 2.639 -1.114 -3.675 1.00 0.00 C ATOM 96 O TYR A 7 2.634 -2.341 -3.602 1.00 0.00 O ATOM 97 CB TYR A 7 1.800 -0.062 -5.811 1.00 0.00 C ATOM 98 CG TYR A 7 1.945 -1.305 -6.647 1.00 0.00 C ATOM 99 CD1 TYR A 7 0.826 -2.022 -7.037 1.00 0.00 C ATOM 100 CD2 TYR A 7 3.185 -1.773 -7.026 1.00 0.00 C ATOM 101 CE1 TYR A 7 0.938 -3.171 -7.777 1.00 0.00 C ATOM 102 CE2 TYR A 7 3.309 -2.921 -7.775 1.00 0.00 C ATOM 103 CZ TYR A 7 2.180 -3.618 -8.144 1.00 0.00 C ATOM 104 OH TYR A 7 2.298 -4.777 -8.877 1.00 0.00 O ATOM 0 HA TYR A 7 0.611 -1.017 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.006 0.559 -6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.721 0.519 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.154 -1.669 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.072 -1.231 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.054 -3.719 -8.068 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.286 -3.273 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 7 3.245 -4.956 -9.057 1.00 0.00 H new ATOM 114 N LYS A 8 3.606 -0.366 -3.175 1.00 0.00 N ATOM 115 CA LYS A 8 4.732 -0.928 -2.454 1.00 0.00 C ATOM 116 C LYS A 8 4.237 -1.636 -1.193 1.00 0.00 C ATOM 117 O LYS A 8 4.618 -2.769 -0.913 1.00 0.00 O ATOM 118 CB LYS A 8 5.694 0.188 -2.073 1.00 0.00 C ATOM 119 CG LYS A 8 6.875 -0.239 -1.209 1.00 0.00 C ATOM 120 CD LYS A 8 7.725 0.959 -0.809 1.00 0.00 C ATOM 121 CE LYS A 8 6.926 1.974 0.015 1.00 0.00 C ATOM 122 NZ LYS A 8 7.725 3.155 0.358 1.00 0.00 N ATOM 0 H LYS A 8 3.632 0.650 -3.258 1.00 0.00 H new ATOM 0 HA LYS A 8 5.246 -1.650 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.078 0.642 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.137 0.961 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.511 -0.745 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.487 -0.957 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.584 0.618 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.114 1.444 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.045 2.283 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.571 1.499 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.146 3.816 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.553 2.864 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.043 3.624 -0.514 1.00 0.00 H new ATOM 136 N ARG A 9 3.354 -0.969 -0.469 1.00 0.00 N ATOM 137 CA ARG A 9 2.795 -1.513 0.762 1.00 0.00 C ATOM 138 C ARG A 9 1.904 -2.727 0.472 1.00 0.00 C ATOM 139 O ARG A 9 1.811 -3.649 1.289 1.00 0.00 O ATOM 140 CB ARG A 9 2.035 -0.429 1.532 1.00 0.00 C ATOM 141 CG ARG A 9 2.907 0.750 1.970 1.00 0.00 C ATOM 142 CD ARG A 9 4.016 0.312 2.921 1.00 0.00 C ATOM 143 NE ARG A 9 3.476 -0.288 4.144 1.00 0.00 N ATOM 144 CZ ARG A 9 4.120 -1.151 4.952 1.00 0.00 C ATOM 145 NH1 ARG A 9 5.380 -1.529 4.686 1.00 0.00 N ATOM 146 NH2 ARG A 9 3.501 -1.622 6.029 1.00 0.00 N ATOM 0 H ARG A 9 3.005 -0.042 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 9 3.617 -1.856 1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.224 -0.055 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.578 -0.877 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.347 1.223 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.285 1.500 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.664 -0.406 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.634 1.172 3.180 1.00 0.00 H new ATOM 0 HE ARG A 9 2.525 -0.028 4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.860 -1.162 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.858 -2.183 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.546 -1.329 6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.980 -2.276 6.647 1.00 0.00 H new ATOM 160 N LEU A 10 1.278 -2.717 -0.694 1.00 0.00 N ATOM 161 CA LEU A 10 0.462 -3.822 -1.179 1.00 0.00 C ATOM 162 C LEU A 10 1.328 -5.067 -1.369 1.00 0.00 C ATOM 163 O LEU A 10 0.950 -6.173 -0.930 1.00 0.00 O ATOM 164 CB LEU A 10 -0.258 -3.379 -2.485 1.00 0.00 C ATOM 165 CG LEU A 10 -1.096 -4.401 -3.301 1.00 0.00 C ATOM 166 CD1 LEU A 10 -0.253 -5.221 -4.242 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.911 -5.313 -2.406 1.00 0.00 C ATOM 0 H LEU A 10 1.322 -1.930 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.305 -4.086 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.920 -2.553 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.504 -2.978 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.782 -3.804 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.889 -5.918 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.250 -4.561 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.491 -5.778 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.481 -6.011 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.243 -5.870 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.596 -4.715 -1.805 1.00 0.00 H new ATOM 179 N GLN A 11 2.469 -4.881 -2.024 1.00 0.00 N ATOM 180 CA GLN A 11 3.452 -5.954 -2.216 1.00 0.00 C ATOM 181 C GLN A 11 3.823 -6.529 -0.865 1.00 0.00 C ATOM 182 O GLN A 11 3.699 -7.726 -0.640 1.00 0.00 O ATOM 183 CB GLN A 11 4.721 -5.426 -2.883 1.00 0.00 C ATOM 184 CG GLN A 11 4.497 -4.735 -4.204 1.00 0.00 C ATOM 185 CD GLN A 11 5.775 -4.177 -4.786 1.00 0.00 C ATOM 186 OE1 GLN A 11 6.860 -4.722 -4.603 1.00 0.00 O ATOM 187 NE2 GLN A 11 5.670 -3.066 -5.450 1.00 0.00 N ATOM 0 H GLN A 11 2.742 -3.989 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 11 3.008 -6.716 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.210 -4.729 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.408 -6.258 -3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.057 -5.440 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.778 -3.926 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.754 -2.637 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.503 -2.622 -5.836 1.00 0.00 H new ATOM 196 N GLU A 12 4.220 -5.639 0.046 1.00 0.00 N ATOM 197 CA GLU A 12 4.595 -6.004 1.409 1.00 0.00 C ATOM 198 C GLU A 12 3.508 -6.824 2.087 1.00 0.00 C ATOM 199 O GLU A 12 3.781 -7.894 2.616 1.00 0.00 O ATOM 200 CB GLU A 12 4.878 -4.749 2.232 1.00 0.00 C ATOM 201 CG GLU A 12 6.092 -3.971 1.775 1.00 0.00 C ATOM 202 CD GLU A 12 7.364 -4.760 1.934 1.00 0.00 C ATOM 203 OE1 GLU A 12 7.906 -4.807 3.059 1.00 0.00 O ATOM 204 OE2 GLU A 12 7.854 -5.334 0.942 1.00 0.00 O ATOM 0 H GLU A 12 4.290 -4.639 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 12 5.496 -6.615 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.006 -4.097 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.014 -5.035 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.969 -3.690 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.166 -3.046 2.347 1.00 0.00 H new ATOM 211 N CYS A 13 2.281 -6.335 2.017 1.00 0.00 N ATOM 212 CA CYS A 13 1.145 -6.982 2.657 1.00 0.00 C ATOM 213 C CYS A 13 0.996 -8.424 2.168 1.00 0.00 C ATOM 214 O CYS A 13 0.988 -9.363 2.970 1.00 0.00 O ATOM 215 CB CYS A 13 -0.147 -6.188 2.392 1.00 0.00 C ATOM 216 SG CYS A 13 -1.589 -6.703 3.408 1.00 0.00 S ATOM 0 H CYS A 13 2.043 -5.479 1.516 1.00 0.00 H new ATOM 0 HA CYS A 13 1.325 -7.002 3.732 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.049 -5.131 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.408 -6.287 1.338 1.00 0.00 H new ATOM 221 N GLN A 14 0.967 -8.616 0.851 1.00 0.00 N ATOM 222 CA GLN A 14 0.753 -9.949 0.312 1.00 0.00 C ATOM 223 C GLN A 14 1.988 -10.838 0.455 1.00 0.00 C ATOM 224 O GLN A 14 1.861 -12.038 0.657 1.00 0.00 O ATOM 225 CB GLN A 14 0.250 -9.927 -1.123 1.00 0.00 C ATOM 226 CG GLN A 14 1.201 -9.320 -2.127 1.00 0.00 C ATOM 227 CD GLN A 14 0.676 -9.447 -3.522 1.00 0.00 C ATOM 228 OE1 GLN A 14 0.944 -10.426 -4.211 1.00 0.00 O ATOM 229 NE2 GLN A 14 -0.082 -8.486 -3.947 1.00 0.00 N ATOM 0 H GLN A 14 1.086 -7.881 0.154 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.037 -10.392 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.027 -10.949 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.688 -9.373 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.359 -8.268 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.171 -9.812 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.281 -7.688 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.480 -8.527 -4.885 1.00 0.00 H new ATOM 238 N ARG A 15 3.176 -10.248 0.382 1.00 0.00 N ATOM 239 CA ARG A 15 4.413 -10.992 0.572 1.00 0.00 C ATOM 240 C ARG A 15 4.530 -11.500 1.994 1.00 0.00 C ATOM 241 O ARG A 15 5.196 -12.516 2.262 1.00 0.00 O ATOM 242 CB ARG A 15 5.621 -10.162 0.167 1.00 0.00 C ATOM 243 CG ARG A 15 5.785 -10.035 -1.340 1.00 0.00 C ATOM 244 CD ARG A 15 6.195 -11.369 -1.950 1.00 0.00 C ATOM 245 NE ARG A 15 7.474 -11.829 -1.391 1.00 0.00 N ATOM 246 CZ ARG A 15 7.774 -13.083 -1.014 1.00 0.00 C ATOM 247 NH1 ARG A 15 6.880 -14.059 -1.114 1.00 0.00 N ATOM 248 NH2 ARG A 15 8.975 -13.343 -0.530 1.00 0.00 N ATOM 0 H ARG A 15 3.307 -9.254 0.192 1.00 0.00 H new ATOM 0 HA ARG A 15 4.386 -11.863 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.531 -9.166 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.520 -10.613 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.849 -9.698 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.537 -9.279 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.422 -12.113 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.282 -11.268 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 15 8.206 -11.127 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.949 -13.862 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.124 -15.006 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.664 -12.595 -0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.214 -14.291 -0.241 1.00 0.00 H new ATOM 262 N ARG A 16 3.891 -10.804 2.901 1.00 0.00 N ATOM 263 CA ARG A 16 3.790 -11.271 4.253 1.00 0.00 C ATOM 264 C ARG A 16 2.789 -12.388 4.316 1.00 0.00 C ATOM 265 O ARG A 16 3.056 -13.417 4.911 1.00 0.00 O ATOM 266 CB ARG A 16 3.395 -10.181 5.218 1.00 0.00 C ATOM 267 CG ARG A 16 4.413 -9.092 5.403 1.00 0.00 C ATOM 268 CD ARG A 16 3.968 -8.137 6.486 1.00 0.00 C ATOM 269 NE ARG A 16 3.803 -8.830 7.774 1.00 0.00 N ATOM 270 CZ ARG A 16 4.025 -8.308 8.977 1.00 0.00 C ATOM 271 NH1 ARG A 16 4.508 -7.069 9.108 1.00 0.00 N ATOM 272 NH2 ARG A 16 3.791 -9.051 10.053 1.00 0.00 N ATOM 0 H ARG A 16 3.433 -9.910 2.723 1.00 0.00 H new ATOM 0 HA ARG A 16 4.778 -11.621 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.464 -9.731 4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.190 -10.633 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.377 -9.527 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.552 -8.552 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.701 -7.337 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.026 -7.670 6.198 1.00 0.00 H new ATOM 0 HE ARG A 16 3.489 -9.800 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.711 -6.511 8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.673 -6.682 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.447 -10.005 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.956 -8.667 10.984 1.00 0.00 H new ATOM 286 N CYS A 17 1.651 -12.196 3.666 1.00 0.00 N ATOM 287 CA CYS A 17 0.600 -13.216 3.599 1.00 0.00 C ATOM 288 C CYS A 17 1.151 -14.549 3.117 1.00 0.00 C ATOM 289 O CYS A 17 0.827 -15.579 3.661 1.00 0.00 O ATOM 290 CB CYS A 17 -0.531 -12.786 2.668 1.00 0.00 C ATOM 291 SG CYS A 17 -1.420 -11.292 3.176 1.00 0.00 S ATOM 0 H CYS A 17 1.425 -11.334 3.170 1.00 0.00 H new ATOM 0 HA CYS A 17 0.211 -13.332 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.119 -12.624 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.245 -13.605 2.587 1.00 0.00 H new ATOM 296 N GLN A 18 2.029 -14.507 2.127 1.00 0.00 N ATOM 297 CA GLN A 18 2.611 -15.715 1.542 1.00 0.00 C ATOM 298 C GLN A 18 3.575 -16.415 2.504 1.00 0.00 C ATOM 299 O GLN A 18 3.942 -17.574 2.303 1.00 0.00 O ATOM 300 CB GLN A 18 3.325 -15.373 0.235 1.00 0.00 C ATOM 301 CG GLN A 18 2.413 -14.733 -0.795 1.00 0.00 C ATOM 302 CD GLN A 18 3.113 -14.418 -2.101 1.00 0.00 C ATOM 303 OE1 GLN A 18 4.319 -14.137 -2.131 1.00 0.00 O ATOM 304 NE2 GLN A 18 2.382 -14.445 -3.184 1.00 0.00 N ATOM 0 H GLN A 18 2.360 -13.640 1.704 1.00 0.00 H new ATOM 0 HA GLN A 18 1.794 -16.408 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.153 -14.697 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.755 -16.282 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.574 -15.400 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.998 -13.813 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.391 -14.680 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.802 -14.231 -4.088 1.00 0.00 H new ATOM 313 N SER A 19 3.953 -15.729 3.545 1.00 0.00 N ATOM 314 CA SER A 19 4.896 -16.249 4.493 1.00 0.00 C ATOM 315 C SER A 19 4.193 -16.601 5.823 1.00 0.00 C ATOM 316 O SER A 19 4.373 -17.696 6.367 1.00 0.00 O ATOM 317 CB SER A 19 5.990 -15.203 4.705 1.00 0.00 C ATOM 318 OG SER A 19 6.492 -14.749 3.441 1.00 0.00 O ATOM 0 H SER A 19 3.615 -14.791 3.760 1.00 0.00 H new ATOM 0 HA SER A 19 5.341 -17.168 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.593 -14.360 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.801 -15.629 5.295 1.00 0.00 H new ATOM 0 HG SER A 19 5.966 -13.980 3.137 1.00 0.00 H new ATOM 324 N GLU A 20 3.373 -15.682 6.315 1.00 0.00 N ATOM 325 CA GLU A 20 2.679 -15.836 7.579 1.00 0.00 C ATOM 326 C GLU A 20 1.404 -16.663 7.450 1.00 0.00 C ATOM 327 O GLU A 20 0.952 -17.261 8.428 1.00 0.00 O ATOM 328 CB GLU A 20 2.324 -14.463 8.139 1.00 0.00 C ATOM 329 CG GLU A 20 3.514 -13.543 8.310 1.00 0.00 C ATOM 330 CD GLU A 20 3.122 -12.203 8.871 1.00 0.00 C ATOM 331 OE1 GLU A 20 3.066 -12.042 10.111 1.00 0.00 O ATOM 332 OE2 GLU A 20 2.858 -11.289 8.100 1.00 0.00 O ATOM 0 H GLU A 20 3.171 -14.802 5.841 1.00 0.00 H new ATOM 0 HA GLU A 20 3.353 -16.366 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.602 -13.987 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.835 -14.591 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.242 -14.013 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.003 -13.402 7.346 1.00 0.00 H new ATOM 339 N GLN A 21 0.817 -16.695 6.269 1.00 0.00 N ATOM 340 CA GLN A 21 -0.432 -17.406 6.071 1.00 0.00 C ATOM 341 C GLN A 21 -0.250 -18.492 5.018 1.00 0.00 C ATOM 342 O GLN A 21 0.706 -18.451 4.234 1.00 0.00 O ATOM 343 CB GLN A 21 -1.549 -16.443 5.622 1.00 0.00 C ATOM 344 CG GLN A 21 -1.823 -15.274 6.563 1.00 0.00 C ATOM 345 CD GLN A 21 -2.276 -15.696 7.949 1.00 0.00 C ATOM 346 OE1 GLN A 21 -2.925 -16.732 8.131 1.00 0.00 O ATOM 347 NE2 GLN A 21 -1.951 -14.898 8.924 1.00 0.00 N ATOM 0 H GLN A 21 1.184 -16.238 5.434 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.719 -17.857 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.289 -16.045 4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.470 -17.013 5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.918 -14.673 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.587 -14.635 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.414 -14.052 8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.233 -15.119 9.879 1.00 0.00 H new ATOM 356 N GLN A 22 -1.141 -19.456 5.010 1.00 0.00 N ATOM 357 CA GLN A 22 -1.127 -20.513 4.022 1.00 0.00 C ATOM 358 C GLN A 22 -2.539 -20.966 3.745 1.00 0.00 C ATOM 359 O GLN A 22 -3.453 -20.642 4.500 1.00 0.00 O ATOM 360 CB GLN A 22 -0.271 -21.698 4.474 1.00 0.00 C ATOM 361 CG GLN A 22 -0.730 -22.360 5.767 1.00 0.00 C ATOM 362 CD GLN A 22 0.196 -23.469 6.204 1.00 0.00 C ATOM 363 OE1 GLN A 22 1.145 -23.244 6.957 1.00 0.00 O ATOM 364 NE2 GLN A 22 -0.050 -24.666 5.739 1.00 0.00 N ATOM 0 H GLN A 22 -1.898 -19.531 5.689 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.683 -20.117 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.264 -22.446 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.757 -21.358 4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.791 -21.609 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.734 -22.761 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.844 -24.818 5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.552 -25.447 5.998 1.00 0.00 H new ATOM 373 N GLY A 23 -2.704 -21.679 2.664 1.00 0.00 N ATOM 374 CA GLY A 23 -3.994 -22.214 2.275 1.00 0.00 C ATOM 375 C GLY A 23 -5.043 -21.141 2.089 1.00 0.00 C ATOM 376 O GLY A 23 -4.797 -20.126 1.424 1.00 0.00 O ATOM 0 H GLY A 23 -1.947 -21.910 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.885 -22.773 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.333 -22.919 3.034 1.00 0.00 H new ATOM 380 N GLN A 24 -6.181 -21.323 2.735 1.00 0.00 N ATOM 381 CA GLN A 24 -7.286 -20.391 2.610 1.00 0.00 C ATOM 382 C GLN A 24 -6.959 -19.109 3.329 1.00 0.00 C ATOM 383 O GLN A 24 -7.374 -18.042 2.912 1.00 0.00 O ATOM 384 CB GLN A 24 -8.592 -20.982 3.146 1.00 0.00 C ATOM 385 CG GLN A 24 -9.007 -22.296 2.495 1.00 0.00 C ATOM 386 CD GLN A 24 -9.141 -22.233 0.975 1.00 0.00 C ATOM 387 OE1 GLN A 24 -9.539 -21.109 0.439 1.00 0.00 O flip ATOM 388 NE2 GLN A 24 -8.907 -23.230 0.292 1.00 0.00 N flip ATOM 0 H GLN A 24 -6.364 -22.112 3.355 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.431 -20.185 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.491 -21.140 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.390 -20.253 3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.275 -23.062 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.960 -22.612 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.598 -24.093 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.022 -23.193 -0.721 1.00 0.00 H new ATOM 397 N ARG A 25 -6.161 -19.224 4.387 1.00 0.00 N ATOM 398 CA ARG A 25 -5.709 -18.077 5.158 1.00 0.00 C ATOM 399 C ARG A 25 -4.923 -17.135 4.263 1.00 0.00 C ATOM 400 O ARG A 25 -5.056 -15.919 4.347 1.00 0.00 O ATOM 401 CB ARG A 25 -4.834 -18.550 6.297 1.00 0.00 C ATOM 402 CG ARG A 25 -5.555 -19.379 7.338 1.00 0.00 C ATOM 403 CD ARG A 25 -6.493 -18.518 8.155 1.00 0.00 C ATOM 404 NE ARG A 25 -5.777 -17.416 8.818 1.00 0.00 N ATOM 405 CZ ARG A 25 -6.359 -16.409 9.470 1.00 0.00 C ATOM 406 NH1 ARG A 25 -7.679 -16.329 9.535 1.00 0.00 N ATOM 407 NH2 ARG A 25 -5.618 -15.493 10.061 1.00 0.00 N ATOM 0 H ARG A 25 -5.811 -20.118 4.732 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.573 -17.548 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.012 -19.138 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.392 -17.681 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.117 -20.175 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.829 -19.858 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.270 -18.111 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.992 -19.132 8.905 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.758 -17.423 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.256 -17.040 9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.119 -15.557 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.601 -15.555 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.062 -14.722 10.560 1.00 0.00 H new ATOM 421 N LEU A 26 -4.117 -17.717 3.391 1.00 0.00 N ATOM 422 CA LEU A 26 -3.359 -16.955 2.427 1.00 0.00 C ATOM 423 C LEU A 26 -4.280 -16.307 1.426 1.00 0.00 C ATOM 424 O LEU A 26 -4.152 -15.115 1.161 1.00 0.00 O ATOM 425 CB LEU A 26 -2.308 -17.827 1.732 1.00 0.00 C ATOM 426 CG LEU A 26 -1.619 -17.238 0.487 1.00 0.00 C ATOM 427 CD1 LEU A 26 -0.995 -15.891 0.778 1.00 0.00 C ATOM 428 CD2 LEU A 26 -0.572 -18.191 -0.024 1.00 0.00 C ATOM 0 H LEU A 26 -3.974 -18.725 3.335 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.827 -16.167 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.536 -18.072 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.783 -18.764 1.444 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.383 -17.093 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.519 -15.508 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.768 -15.195 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.248 -15.998 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.091 -17.765 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.175 -18.361 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.041 -19.138 -0.290 1.00 0.00 H new ATOM 440 N GLN A 27 -5.224 -17.080 0.911 1.00 0.00 N ATOM 441 CA GLN A 27 -6.187 -16.594 -0.072 1.00 0.00 C ATOM 442 C GLN A 27 -6.952 -15.392 0.480 1.00 0.00 C ATOM 443 O GLN A 27 -7.093 -14.370 -0.196 1.00 0.00 O ATOM 444 CB GLN A 27 -7.165 -17.711 -0.472 1.00 0.00 C ATOM 445 CG GLN A 27 -6.498 -18.976 -1.021 1.00 0.00 C ATOM 446 CD GLN A 27 -5.741 -18.780 -2.332 1.00 0.00 C ATOM 447 OE1 GLN A 27 -5.224 -17.706 -2.632 1.00 0.00 O ATOM 448 NE2 GLN A 27 -5.653 -19.816 -3.106 1.00 0.00 N ATOM 0 H GLN A 27 -5.346 -18.061 1.161 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.640 -16.281 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.764 -17.980 0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.852 -17.323 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.806 -19.360 -0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.263 -19.739 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.092 -20.695 -2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.145 -19.752 -3.988 1.00 0.00 H new ATOM 457 N GLU A 28 -7.404 -15.518 1.709 1.00 0.00 N ATOM 458 CA GLU A 28 -8.103 -14.452 2.405 1.00 0.00 C ATOM 459 C GLU A 28 -7.199 -13.243 2.628 1.00 0.00 C ATOM 460 O GLU A 28 -7.606 -12.097 2.394 1.00 0.00 O ATOM 461 CB GLU A 28 -8.599 -14.962 3.749 1.00 0.00 C ATOM 462 CG GLU A 28 -9.661 -16.027 3.652 1.00 0.00 C ATOM 463 CD GLU A 28 -10.926 -15.507 3.041 1.00 0.00 C ATOM 464 OE1 GLU A 28 -11.684 -14.798 3.747 1.00 0.00 O ATOM 465 OE2 GLU A 28 -11.203 -15.800 1.852 1.00 0.00 O ATOM 0 H GLU A 28 -7.297 -16.369 2.261 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.944 -14.140 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.752 -15.359 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.994 -14.122 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.286 -16.859 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.874 -16.418 4.647 1.00 0.00 H new ATOM 472 N CYS A 29 -5.984 -13.506 3.067 1.00 0.00 N ATOM 473 CA CYS A 29 -5.022 -12.464 3.392 1.00 0.00 C ATOM 474 C CYS A 29 -4.649 -11.650 2.153 1.00 0.00 C ATOM 475 O CYS A 29 -4.834 -10.422 2.133 1.00 0.00 O ATOM 476 CB CYS A 29 -3.769 -13.082 4.033 1.00 0.00 C ATOM 477 SG CYS A 29 -2.575 -11.888 4.735 1.00 0.00 S ATOM 0 H CYS A 29 -5.632 -14.452 3.210 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.484 -11.784 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.085 -13.762 4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.257 -13.683 3.282 1.00 0.00 H new ATOM 482 N GLN A 30 -4.176 -12.337 1.096 1.00 0.00 N ATOM 483 CA GLN A 30 -3.731 -11.663 -0.129 1.00 0.00 C ATOM 484 C GLN A 30 -4.861 -10.848 -0.750 1.00 0.00 C ATOM 485 O GLN A 30 -4.640 -9.724 -1.211 1.00 0.00 O ATOM 486 CB GLN A 30 -3.168 -12.654 -1.166 1.00 0.00 C ATOM 487 CG GLN A 30 -4.163 -13.715 -1.611 1.00 0.00 C ATOM 488 CD GLN A 30 -3.704 -14.549 -2.778 1.00 0.00 C ATOM 489 OE1 GLN A 30 -4.518 -15.006 -3.571 1.00 0.00 O ATOM 490 NE2 GLN A 30 -2.433 -14.753 -2.909 1.00 0.00 N ATOM 0 H GLN A 30 -4.094 -13.353 1.070 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.926 -10.989 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.831 -12.097 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.292 -13.146 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.373 -14.375 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.101 -13.227 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.781 -14.358 -2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.083 -15.308 -3.690 1.00 0.00 H new ATOM 499 N GLN A 31 -6.071 -11.407 -0.719 1.00 0.00 N ATOM 500 CA GLN A 31 -7.241 -10.763 -1.272 1.00 0.00 C ATOM 501 C GLN A 31 -7.507 -9.458 -0.562 1.00 0.00 C ATOM 502 O GLN A 31 -7.658 -8.432 -1.200 1.00 0.00 O ATOM 503 CB GLN A 31 -8.452 -11.687 -1.176 1.00 0.00 C ATOM 504 CG GLN A 31 -9.756 -11.082 -1.663 1.00 0.00 C ATOM 505 CD GLN A 31 -10.891 -12.073 -1.611 1.00 0.00 C ATOM 506 OE1 GLN A 31 -11.576 -12.195 -0.599 1.00 0.00 O ATOM 507 NE2 GLN A 31 -11.117 -12.767 -2.695 1.00 0.00 N ATOM 0 H GLN A 31 -6.258 -12.321 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.057 -10.549 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.249 -12.589 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.576 -11.993 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.004 -10.214 -1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.631 -10.726 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.526 -12.637 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.885 -13.438 -2.720 1.00 0.00 H new ATOM 516 N ARG A 32 -7.503 -9.494 0.759 1.00 0.00 N ATOM 517 CA ARG A 32 -7.760 -8.308 1.547 1.00 0.00 C ATOM 518 C ARG A 32 -6.705 -7.242 1.364 1.00 0.00 C ATOM 519 O ARG A 32 -7.035 -6.066 1.330 1.00 0.00 O ATOM 520 CB ARG A 32 -8.033 -8.640 3.001 1.00 0.00 C ATOM 521 CG ARG A 32 -9.392 -9.271 3.162 1.00 0.00 C ATOM 522 CD ARG A 32 -9.694 -9.694 4.576 1.00 0.00 C ATOM 523 NE ARG A 32 -11.083 -10.138 4.668 1.00 0.00 N ATOM 524 CZ ARG A 32 -11.519 -11.387 4.489 1.00 0.00 C ATOM 525 NH1 ARG A 32 -10.664 -12.393 4.369 1.00 0.00 N ATOM 526 NH2 ARG A 32 -12.816 -11.627 4.463 1.00 0.00 N ATOM 0 H ARG A 32 -7.324 -10.335 1.307 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.679 -7.868 1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.266 -9.319 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.975 -7.733 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.153 -8.564 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.460 -10.141 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.023 -10.499 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.521 -8.863 5.260 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.783 -9.430 4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.660 -12.217 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.010 -13.343 4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.479 -10.861 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.156 -12.579 4.327 1.00 0.00 H new ATOM 540 N CYS A 33 -5.458 -7.650 1.187 1.00 0.00 N ATOM 541 CA CYS A 33 -4.396 -6.693 0.883 1.00 0.00 C ATOM 542 C CYS A 33 -4.693 -5.997 -0.449 1.00 0.00 C ATOM 543 O CYS A 33 -4.562 -4.777 -0.569 1.00 0.00 O ATOM 544 CB CYS A 33 -3.031 -7.382 0.816 1.00 0.00 C ATOM 545 SG CYS A 33 -2.507 -8.184 2.361 1.00 0.00 S ATOM 0 H CYS A 33 -5.155 -8.622 1.247 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.363 -5.954 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.056 -8.131 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.280 -6.644 0.533 1.00 0.00 H new ATOM 550 N GLN A 34 -5.136 -6.781 -1.436 1.00 0.00 N ATOM 551 CA GLN A 34 -5.474 -6.248 -2.749 1.00 0.00 C ATOM 552 C GLN A 34 -6.684 -5.333 -2.658 1.00 0.00 C ATOM 553 O GLN A 34 -6.713 -4.275 -3.273 1.00 0.00 O ATOM 554 CB GLN A 34 -5.742 -7.369 -3.742 1.00 0.00 C ATOM 555 CG GLN A 34 -4.534 -8.224 -4.062 1.00 0.00 C ATOM 556 CD GLN A 34 -4.867 -9.367 -4.999 1.00 0.00 C ATOM 557 OE1 GLN A 34 -5.781 -9.270 -5.821 1.00 0.00 O ATOM 558 NE2 GLN A 34 -4.140 -10.445 -4.891 1.00 0.00 N ATOM 0 H GLN A 34 -5.267 -7.788 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.620 -5.671 -3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.530 -8.009 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.120 -6.935 -4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.761 -7.602 -4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.121 -8.625 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.392 -10.489 -4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.320 -11.244 -5.499 1.00 0.00 H new ATOM 567 N GLN A 35 -7.668 -5.746 -1.863 1.00 0.00 N ATOM 568 CA GLN A 35 -8.875 -4.960 -1.638 1.00 0.00 C ATOM 569 C GLN A 35 -8.520 -3.618 -1.038 1.00 0.00 C ATOM 570 O GLN A 35 -9.034 -2.583 -1.461 1.00 0.00 O ATOM 571 CB GLN A 35 -9.853 -5.706 -0.732 1.00 0.00 C ATOM 572 CG GLN A 35 -10.356 -7.020 -1.307 1.00 0.00 C ATOM 573 CD GLN A 35 -11.073 -6.840 -2.619 1.00 0.00 C ATOM 574 OE1 GLN A 35 -12.283 -6.632 -2.645 1.00 0.00 O ATOM 575 NE2 GLN A 35 -10.357 -6.947 -3.706 1.00 0.00 N ATOM 0 H GLN A 35 -7.650 -6.632 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.361 -4.799 -2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.368 -5.903 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.707 -5.060 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.514 -7.697 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.029 -7.492 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.354 -7.120 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.801 -6.857 -4.620 1.00 0.00 H new ATOM 584 N GLU A 36 -7.616 -3.640 -0.065 1.00 0.00 N ATOM 585 CA GLU A 36 -7.109 -2.428 0.531 1.00 0.00 C ATOM 586 C GLU A 36 -6.455 -1.557 -0.517 1.00 0.00 C ATOM 587 O GLU A 36 -6.795 -0.377 -0.633 1.00 0.00 O ATOM 588 CB GLU A 36 -6.137 -2.719 1.659 1.00 0.00 C ATOM 589 CG GLU A 36 -6.785 -3.303 2.896 1.00 0.00 C ATOM 590 CD GLU A 36 -5.807 -3.485 4.026 1.00 0.00 C ATOM 591 OE1 GLU A 36 -5.253 -2.475 4.498 1.00 0.00 O ATOM 592 OE2 GLU A 36 -5.611 -4.627 4.500 1.00 0.00 O ATOM 0 H GLU A 36 -7.222 -4.496 0.325 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.957 -1.893 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.376 -3.411 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.625 -1.796 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.594 -2.649 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.233 -4.265 2.648 1.00 0.00 H new ATOM 599 N TYR A 37 -5.553 -2.144 -1.300 1.00 0.00 N ATOM 600 CA TYR A 37 -4.877 -1.443 -2.386 1.00 0.00 C ATOM 601 C TYR A 37 -5.857 -0.793 -3.369 1.00 0.00 C ATOM 602 O TYR A 37 -5.636 0.325 -3.796 1.00 0.00 O ATOM 603 CB TYR A 37 -3.900 -2.362 -3.122 1.00 0.00 C ATOM 604 CG TYR A 37 -3.320 -1.743 -4.374 1.00 0.00 C ATOM 605 CD1 TYR A 37 -2.459 -0.659 -4.303 1.00 0.00 C ATOM 606 CD2 TYR A 37 -3.661 -2.233 -5.628 1.00 0.00 C ATOM 607 CE1 TYR A 37 -1.959 -0.080 -5.444 1.00 0.00 C ATOM 608 CE2 TYR A 37 -3.160 -1.662 -6.773 1.00 0.00 C ATOM 609 CZ TYR A 37 -2.314 -0.585 -6.679 1.00 0.00 C ATOM 610 OH TYR A 37 -1.809 -0.010 -7.821 1.00 0.00 O ATOM 0 H TYR A 37 -5.271 -3.119 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.308 -0.637 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.087 -2.630 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.412 -3.287 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.178 -0.264 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.331 -3.077 -5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.291 0.766 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.430 -2.058 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.912 -0.364 -7.997 1.00 0.00 H new