USER MOD reduce.3.24.130724 H: found=0, std=0, add=117, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 120 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 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 80:sc= -0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -2.642 -5.744 -0.101 1.00 0.00 N ATOM 2 CA CYS A 409 -1.581 -5.569 0.902 1.00 0.00 C ATOM 3 C CYS A 409 -2.195 -5.295 2.308 1.00 0.00 C ATOM 4 O CYS A 409 -3.331 -4.848 2.400 1.00 0.00 O ATOM 5 CB CYS A 409 -0.663 -4.408 0.488 1.00 0.00 C ATOM 6 SG CYS A 409 0.800 -5.067 -0.351 1.00 0.00 S ATOM 0 HA CYS A 409 -0.996 -6.487 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -1.198 -3.725 -0.172 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.365 -3.835 1.366 1.00 0.00 H new ATOM 12 N PRO A 410 -1.429 -5.593 3.369 1.00 0.00 N ATOM 13 CA PRO A 410 -1.889 -5.416 4.782 1.00 0.00 C ATOM 14 C PRO A 410 -1.877 -3.934 5.251 1.00 0.00 C ATOM 15 O PRO A 410 -1.485 -3.036 4.511 1.00 0.00 O ATOM 16 CB PRO A 410 -0.890 -6.259 5.588 1.00 0.00 C ATOM 17 CG PRO A 410 0.380 -6.397 4.717 1.00 0.00 C ATOM 18 CD PRO A 410 -0.043 -6.125 3.264 1.00 0.00 C ATOM 0 HA PRO A 410 -2.927 -5.724 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.657 -5.779 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.309 -7.238 5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.145 -5.689 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.808 -7.395 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.622 -5.406 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -0.012 -7.035 2.665 1.00 0.00 H new ATOM 26 N GLU A 411 -2.320 -3.698 6.493 1.00 0.00 N ATOM 27 CA GLU A 411 -2.377 -2.305 7.094 1.00 0.00 C ATOM 28 C GLU A 411 -1.028 -1.575 6.938 1.00 0.00 C ATOM 29 O GLU A 411 0.034 -2.151 7.164 1.00 0.00 O ATOM 30 CB GLU A 411 -2.743 -2.398 8.586 1.00 0.00 C ATOM 31 CG GLU A 411 -4.272 -2.358 8.746 1.00 0.00 C ATOM 32 CD GLU A 411 -4.783 -0.910 8.627 1.00 0.00 C ATOM 33 OE1 GLU A 411 -5.089 -0.494 7.518 1.00 0.00 O ATOM 34 OE2 GLU A 411 -4.862 -0.242 9.648 1.00 0.00 O ATOM 0 H GLU A 411 -2.649 -4.432 7.120 1.00 0.00 H new ATOM 0 HA GLU A 411 -3.138 -1.736 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.347 -3.320 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -2.288 -1.573 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.741 -2.980 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -4.554 -2.772 9.714 1.00 0.00 H new ATOM 41 N GLY A 412 -1.077 -0.319 6.509 1.00 0.00 N ATOM 42 CA GLY A 412 0.179 0.482 6.273 1.00 0.00 C ATOM 43 C GLY A 412 0.569 0.366 4.786 1.00 0.00 C ATOM 44 O GLY A 412 0.898 1.357 4.152 1.00 0.00 O ATOM 0 H GLY A 412 -1.942 0.184 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.017 1.526 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 412 0.987 0.113 6.905 1.00 0.00 H new ATOM 48 N TYR A 413 0.497 -0.844 4.235 1.00 0.00 N ATOM 49 CA TYR A 413 0.811 -1.095 2.793 1.00 0.00 C ATOM 50 C TYR A 413 -0.493 -0.819 1.988 1.00 0.00 C ATOM 51 O TYR A 413 -1.211 -1.733 1.590 1.00 0.00 O ATOM 52 CB TYR A 413 1.266 -2.569 2.629 1.00 0.00 C ATOM 53 CG TYR A 413 2.456 -2.894 3.512 1.00 0.00 C ATOM 54 CD1 TYR A 413 2.255 -3.339 4.826 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.756 -2.769 3.010 1.00 0.00 C ATOM 56 CE1 TYR A 413 3.350 -3.655 5.635 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.853 -3.086 3.823 1.00 0.00 C ATOM 58 CZ TYR A 413 4.649 -3.529 5.133 1.00 0.00 C ATOM 59 OH TYR A 413 5.730 -3.839 5.933 1.00 0.00 O ATOM 0 H TYR A 413 0.225 -1.681 4.751 1.00 0.00 H new ATOM 0 HA TYR A 413 1.613 -0.451 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.438 -3.234 2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.525 -2.755 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 413 1.252 -3.438 5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 413 3.914 -2.429 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 413 3.193 -3.996 6.648 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.857 -2.988 3.437 1.00 0.00 H new ATOM 0 HH TYR A 413 6.560 -3.698 5.431 1.00 0.00 H new ATOM 69 N ILE A 414 -0.822 0.455 1.803 1.00 0.00 N ATOM 70 CA ILE A 414 -2.105 0.856 1.078 1.00 0.00 C ATOM 71 C ILE A 414 -2.077 0.472 -0.426 1.00 0.00 C ATOM 72 O ILE A 414 -1.061 0.043 -0.956 1.00 0.00 O ATOM 73 CB ILE A 414 -2.364 2.386 1.216 1.00 0.00 C ATOM 74 CG1 ILE A 414 -1.288 3.213 0.468 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.374 2.788 2.696 1.00 0.00 C ATOM 76 CD1 ILE A 414 -1.953 4.377 -0.270 1.00 0.00 C ATOM 0 H ILE A 414 -0.256 1.241 2.123 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.915 0.303 1.553 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.335 2.598 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -0.550 3.592 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -0.755 2.578 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.556 3.859 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -3.163 2.244 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.411 2.547 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -1.194 4.956 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -2.674 3.988 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -2.466 5.017 0.448 1.00 0.00 H new ATOM 88 N LEU A 415 -3.210 0.646 -1.105 1.00 0.00 N ATOM 89 CA LEU A 415 -3.311 0.337 -2.570 1.00 0.00 C ATOM 90 C LEU A 415 -3.331 1.680 -3.328 1.00 0.00 C ATOM 91 O LEU A 415 -4.207 2.511 -3.102 1.00 0.00 O ATOM 92 CB LEU A 415 -4.606 -0.449 -2.881 1.00 0.00 C ATOM 93 CG LEU A 415 -4.516 -1.946 -2.474 1.00 0.00 C ATOM 94 CD1 LEU A 415 -3.453 -2.665 -3.303 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.178 -2.104 -0.985 1.00 0.00 C ATOM 0 H LEU A 415 -4.074 0.994 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.465 -0.277 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.442 0.015 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.820 -0.380 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.493 -2.390 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -3.405 -3.712 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.711 -2.601 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.483 -2.195 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.123 -3.163 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.218 -1.632 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -4.953 -1.629 -0.384 1.00 0.00 H new ATOM 107 N ASP A 416 -2.362 1.903 -4.198 1.00 0.00 N ATOM 108 CA ASP A 416 -2.286 3.206 -4.966 1.00 0.00 C ATOM 109 C ASP A 416 -3.208 3.183 -6.213 1.00 0.00 C ATOM 110 O ASP A 416 -4.028 2.282 -6.373 1.00 0.00 O ATOM 111 CB ASP A 416 -0.819 3.470 -5.375 1.00 0.00 C ATOM 112 CG ASP A 416 -0.364 4.828 -4.828 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.052 4.876 -3.679 1.00 0.00 O ATOM 114 OD2 ASP A 416 -0.440 5.798 -5.565 1.00 0.00 O ATOM 0 H ASP A 416 -1.618 1.239 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.635 4.013 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.176 2.679 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.726 3.455 -6.461 1.00 0.00 H new ATOM 119 N ASP A 417 -3.085 4.194 -7.077 1.00 0.00 N ATOM 120 CA ASP A 417 -3.937 4.302 -8.326 1.00 0.00 C ATOM 121 C ASP A 417 -3.933 2.971 -9.112 1.00 0.00 C ATOM 122 O ASP A 417 -2.883 2.452 -9.478 1.00 0.00 O ATOM 123 CB ASP A 417 -3.406 5.440 -9.224 1.00 0.00 C ATOM 124 CG ASP A 417 -3.764 6.804 -8.614 1.00 0.00 C ATOM 125 OD1 ASP A 417 -4.834 7.307 -8.921 1.00 0.00 O ATOM 126 OD2 ASP A 417 -2.961 7.323 -7.853 1.00 0.00 O ATOM 0 H ASP A 417 -2.418 4.957 -6.961 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.962 4.522 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -2.325 5.354 -9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -3.834 5.356 -10.223 1.00 0.00 H new ATOM 131 N GLY A 418 -5.116 2.417 -9.342 1.00 0.00 N ATOM 132 CA GLY A 418 -5.249 1.109 -10.078 1.00 0.00 C ATOM 133 C GLY A 418 -5.335 -0.093 -9.104 1.00 0.00 C ATOM 134 O GLY A 418 -5.442 -1.219 -9.564 1.00 0.00 O ATOM 0 H GLY A 418 -6.003 2.825 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -6.141 1.134 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.395 0.978 -10.743 1.00 0.00 H new ATOM 138 N PHE A 419 -5.281 0.129 -7.776 1.00 0.00 N ATOM 139 CA PHE A 419 -5.349 -0.987 -6.767 1.00 0.00 C ATOM 140 C PHE A 419 -4.083 -1.869 -6.892 1.00 0.00 C ATOM 141 O PHE A 419 -4.127 -3.008 -7.350 1.00 0.00 O ATOM 142 CB PHE A 419 -6.647 -1.807 -6.947 1.00 0.00 C ATOM 143 CG PHE A 419 -6.934 -2.586 -5.679 1.00 0.00 C ATOM 144 CD1 PHE A 419 -6.381 -3.861 -5.500 1.00 0.00 C ATOM 145 CD2 PHE A 419 -7.750 -2.033 -4.685 1.00 0.00 C ATOM 146 CE1 PHE A 419 -6.643 -4.580 -4.329 1.00 0.00 C ATOM 147 CE2 PHE A 419 -8.013 -2.753 -3.514 1.00 0.00 C ATOM 148 CZ PHE A 419 -7.460 -4.026 -3.336 1.00 0.00 C ATOM 0 H PHE A 419 -5.191 1.057 -7.363 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.376 -0.570 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.481 -1.143 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.544 -2.490 -7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.752 -4.289 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -8.177 -1.050 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -6.215 -5.562 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -8.643 -2.326 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 419 -7.663 -4.581 -2.432 1.00 0.00 H new ATOM 158 N ILE A 420 -2.957 -1.330 -6.465 1.00 0.00 N ATOM 159 CA ILE A 420 -1.651 -2.084 -6.506 1.00 0.00 C ATOM 160 C ILE A 420 -0.931 -1.931 -5.147 1.00 0.00 C ATOM 161 O ILE A 420 -1.127 -0.956 -4.431 1.00 0.00 O ATOM 162 CB ILE A 420 -0.761 -1.621 -7.688 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.817 -0.094 -7.891 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.246 -2.309 -8.972 1.00 0.00 C ATOM 165 CD1 ILE A 420 -0.063 0.602 -6.762 1.00 0.00 C ATOM 0 H ILE A 420 -2.886 -0.386 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.856 -3.141 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 420 0.270 -1.892 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -0.378 0.171 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.854 0.242 -7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.627 -1.991 -9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.172 -3.390 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -2.284 -2.035 -9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -0.104 1.681 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.522 0.347 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 420 0.977 0.275 -6.763 1.00 0.00 H new ATOM 177 N CYS A 421 -0.141 -2.924 -4.780 1.00 0.00 N ATOM 178 CA CYS A 421 0.567 -2.930 -3.445 1.00 0.00 C ATOM 179 C CYS A 421 1.584 -1.776 -3.305 1.00 0.00 C ATOM 180 O CYS A 421 2.684 -1.822 -3.844 1.00 0.00 O ATOM 181 CB CYS A 421 1.273 -4.282 -3.235 1.00 0.00 C ATOM 182 SG CYS A 421 0.201 -5.367 -2.257 1.00 0.00 S ATOM 0 H CYS A 421 0.046 -3.743 -5.358 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.192 -2.781 -2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 421 1.496 -4.743 -4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 421 2.224 -4.134 -2.724 1.00 0.00 H new ATOM 187 N THR A 422 1.206 -0.760 -2.544 1.00 0.00 N ATOM 188 CA THR A 422 2.109 0.427 -2.271 1.00 0.00 C ATOM 189 C THR A 422 2.963 0.129 -1.013 1.00 0.00 C ATOM 190 O THR A 422 2.576 -0.670 -0.159 1.00 0.00 O ATOM 191 CB THR A 422 1.274 1.708 -2.013 1.00 0.00 C ATOM 192 OG1 THR A 422 0.178 1.776 -2.915 1.00 0.00 O ATOM 193 CG2 THR A 422 2.151 2.950 -2.206 1.00 0.00 C ATOM 0 H THR A 422 0.293 -0.702 -2.092 1.00 0.00 H new ATOM 0 HA THR A 422 2.745 0.590 -3.141 1.00 0.00 H new ATOM 0 HB THR A 422 0.899 1.673 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.547 1.200 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 422 1.558 3.846 -2.023 1.00 0.00 H new ATOM 0 HG22 THR A 422 2.986 2.918 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.534 2.970 -3.226 1.00 0.00 H new ATOM 201 N ASP A 423 4.118 0.772 -0.899 1.00 0.00 N ATOM 202 CA ASP A 423 5.032 0.566 0.280 1.00 0.00 C ATOM 203 C ASP A 423 4.412 1.142 1.590 1.00 0.00 C ATOM 204 O ASP A 423 3.250 1.542 1.628 1.00 0.00 O ATOM 205 CB ASP A 423 6.382 1.253 -0.017 1.00 0.00 C ATOM 206 CG ASP A 423 7.087 0.559 -1.193 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.802 -0.401 -0.949 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.902 1.002 -2.317 1.00 0.00 O ATOM 0 H ASP A 423 4.466 1.440 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 423 5.178 -0.503 0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 423 6.219 2.305 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 423 7.017 1.219 0.868 1.00 0.00 H new ATOM 213 N ILE A 424 5.196 1.174 2.659 1.00 0.00 N ATOM 214 CA ILE A 424 4.723 1.700 3.987 1.00 0.00 C ATOM 215 C ILE A 424 5.563 2.980 4.345 1.00 0.00 C ATOM 216 O ILE A 424 5.813 3.789 3.459 1.00 0.00 O ATOM 217 CB ILE A 424 4.829 0.515 5.004 1.00 0.00 C ATOM 218 CG1 ILE A 424 3.957 0.781 6.247 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.286 0.238 5.423 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.377 -0.540 6.753 1.00 0.00 C ATOM 0 H ILE A 424 6.163 0.849 2.660 1.00 0.00 H new ATOM 0 HA ILE A 424 3.685 2.032 3.993 1.00 0.00 H new ATOM 0 HB ILE A 424 4.459 -0.375 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.553 1.252 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.152 1.473 5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.310 -0.592 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.876 -0.017 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.704 1.127 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.760 -0.354 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.767 -0.993 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.190 -1.217 7.017 1.00 0.00 H new ATOM 232 N ASP A 425 5.987 3.175 5.601 1.00 0.00 N ATOM 233 CA ASP A 425 6.799 4.380 6.019 1.00 0.00 C ATOM 234 C ASP A 425 5.963 5.674 5.843 1.00 0.00 C ATOM 235 O ASP A 425 6.062 6.365 4.835 1.00 0.00 O ATOM 236 CB ASP A 425 8.121 4.434 5.215 1.00 0.00 C ATOM 237 CG ASP A 425 8.948 3.160 5.457 1.00 0.00 C ATOM 238 OD1 ASP A 425 9.640 3.103 6.462 1.00 0.00 O ATOM 239 OD2 ASP A 425 8.873 2.261 4.632 1.00 0.00 O ATOM 0 H ASP A 425 5.793 2.526 6.364 1.00 0.00 H new ATOM 0 HA ASP A 425 7.057 4.296 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 425 7.904 4.538 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 425 8.698 5.311 5.509 1.00 0.00 H new ATOM 244 N GLU A 426 5.129 5.966 6.845 1.00 0.00 N ATOM 245 CA GLU A 426 4.218 7.185 6.858 1.00 0.00 C ATOM 246 C GLU A 426 3.064 7.002 5.915 1.00 0.00 C ATOM 247 O GLU A 426 2.854 7.832 5.032 1.00 0.00 O ATOM 248 CB GLU A 426 5.005 8.486 6.532 1.00 0.00 C ATOM 249 CG GLU A 426 5.429 9.202 7.833 1.00 0.00 C ATOM 250 CD GLU A 426 6.427 8.335 8.629 1.00 0.00 C ATOM 251 OE1 GLU A 426 7.606 8.371 8.311 1.00 0.00 O ATOM 252 OE2 GLU A 426 5.993 7.654 9.548 1.00 0.00 O ATOM 253 OXT GLU A 426 2.267 5.939 6.035 1.00 0.00 O ATOM 0 H GLU A 426 5.043 5.387 7.680 1.00 0.00 H new ATOM 0 HA GLU A 426 3.817 7.288 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 426 5.887 8.245 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 426 4.386 9.151 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 426 5.884 10.163 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 426 4.550 9.408 8.444 1.00 0.00 H new