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 77:sc= 0.0637 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -3.032 -6.154 0.190 1.00 0.00 N ATOM 2 CA CYS A 409 -1.904 -5.622 0.969 1.00 0.00 C ATOM 3 C CYS A 409 -2.318 -5.458 2.456 1.00 0.00 C ATOM 4 O CYS A 409 -3.458 -5.107 2.730 1.00 0.00 O ATOM 5 CB CYS A 409 -1.453 -4.250 0.419 1.00 0.00 C ATOM 6 SG CYS A 409 -1.644 -4.189 -1.385 1.00 0.00 S ATOM 0 HA CYS A 409 -1.076 -6.327 0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -2.042 -3.457 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.412 -4.070 0.686 1.00 0.00 H new ATOM 12 N PRO A 410 -1.383 -5.716 3.379 1.00 0.00 N ATOM 13 CA PRO A 410 -1.644 -5.604 4.844 1.00 0.00 C ATOM 14 C PRO A 410 -1.665 -4.129 5.330 1.00 0.00 C ATOM 15 O PRO A 410 -1.322 -3.212 4.589 1.00 0.00 O ATOM 16 CB PRO A 410 -0.486 -6.390 5.476 1.00 0.00 C ATOM 17 CG PRO A 410 0.650 -6.428 4.429 1.00 0.00 C ATOM 18 CD PRO A 410 0.008 -6.137 3.061 1.00 0.00 C ATOM 0 HA PRO A 410 -2.624 -5.993 5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -0.149 -5.910 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -0.802 -7.399 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 410 1.415 -5.687 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 410 1.140 -7.402 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 410 0.547 -5.353 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.018 -7.020 2.423 1.00 0.00 H new ATOM 26 N GLU A 411 -2.088 -3.919 6.579 1.00 0.00 N ATOM 27 CA GLU A 411 -2.181 -2.533 7.190 1.00 0.00 C ATOM 28 C GLU A 411 -0.879 -1.732 6.979 1.00 0.00 C ATOM 29 O GLU A 411 0.219 -2.240 7.192 1.00 0.00 O ATOM 30 CB GLU A 411 -2.471 -2.649 8.696 1.00 0.00 C ATOM 31 CG GLU A 411 -3.991 -2.670 8.930 1.00 0.00 C ATOM 32 CD GLU A 411 -4.562 -1.242 8.858 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.934 -0.822 7.771 1.00 0.00 O ATOM 34 OE2 GLU A 411 -4.620 -0.592 9.891 1.00 0.00 O ATOM 0 H GLU A 411 -2.377 -4.668 7.208 1.00 0.00 H new ATOM 0 HA GLU A 411 -2.992 -2.001 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.019 -3.557 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -2.023 -1.810 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.472 -3.300 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -4.210 -3.108 9.904 1.00 0.00 H new ATOM 41 N GLY A 412 -1.014 -0.489 6.530 1.00 0.00 N ATOM 42 CA GLY A 412 0.181 0.385 6.258 1.00 0.00 C ATOM 43 C GLY A 412 0.513 0.354 4.758 1.00 0.00 C ATOM 44 O GLY A 412 0.780 1.388 4.166 1.00 0.00 O ATOM 0 H GLY A 412 -1.913 -0.046 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -0.025 1.408 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 412 1.037 0.038 6.837 1.00 0.00 H new ATOM 48 N TYR A 413 0.481 -0.831 4.148 1.00 0.00 N ATOM 49 CA TYR A 413 0.773 -0.986 2.682 1.00 0.00 C ATOM 50 C TYR A 413 -0.463 -0.500 1.877 1.00 0.00 C ATOM 51 O TYR A 413 -1.337 -1.275 1.499 1.00 0.00 O ATOM 52 CB TYR A 413 1.097 -2.469 2.391 1.00 0.00 C ATOM 53 CG TYR A 413 2.375 -2.874 3.104 1.00 0.00 C ATOM 54 CD1 TYR A 413 3.616 -2.718 2.471 1.00 0.00 C ATOM 55 CD2 TYR A 413 2.315 -3.404 4.398 1.00 0.00 C ATOM 56 CE1 TYR A 413 4.792 -3.093 3.137 1.00 0.00 C ATOM 57 CE2 TYR A 413 3.488 -3.777 5.060 1.00 0.00 C ATOM 58 CZ TYR A 413 4.726 -3.622 4.429 1.00 0.00 C ATOM 59 OH TYR A 413 5.884 -3.988 5.083 1.00 0.00 O ATOM 0 H TYR A 413 0.260 -1.706 4.624 1.00 0.00 H new ATOM 0 HA TYR A 413 1.634 -0.387 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.272 -3.101 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.207 -2.621 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 413 3.666 -2.310 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 413 1.359 -3.525 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 413 5.749 -2.973 2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 413 3.438 -4.185 6.059 1.00 0.00 H new ATOM 0 HH TYR A 413 5.662 -4.336 5.972 1.00 0.00 H new ATOM 69 N ILE A 414 -0.530 0.807 1.660 1.00 0.00 N ATOM 70 CA ILE A 414 -1.686 1.464 0.920 1.00 0.00 C ATOM 71 C ILE A 414 -1.774 0.978 -0.556 1.00 0.00 C ATOM 72 O ILE A 414 -0.779 0.573 -1.145 1.00 0.00 O ATOM 73 CB ILE A 414 -1.502 3.010 0.994 1.00 0.00 C ATOM 74 CG1 ILE A 414 -2.789 3.739 0.504 1.00 0.00 C ATOM 75 CG2 ILE A 414 -0.253 3.456 0.198 1.00 0.00 C ATOM 76 CD1 ILE A 414 -2.695 4.182 -0.969 1.00 0.00 C ATOM 0 H ILE A 414 0.185 1.464 1.972 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.626 1.180 1.394 1.00 0.00 H new ATOM 0 HB ILE A 414 -1.340 3.290 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.646 3.077 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.969 4.612 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -0.146 4.539 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 414 0.634 2.978 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -0.365 3.166 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -3.618 4.684 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -1.856 4.867 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -2.544 3.308 -1.603 1.00 0.00 H new ATOM 88 N LEU A 415 -2.973 1.027 -1.145 1.00 0.00 N ATOM 89 CA LEU A 415 -3.168 0.592 -2.573 1.00 0.00 C ATOM 90 C LEU A 415 -3.111 1.837 -3.477 1.00 0.00 C ATOM 91 O LEU A 415 -3.953 2.727 -3.364 1.00 0.00 O ATOM 92 CB LEU A 415 -4.537 -0.096 -2.764 1.00 0.00 C ATOM 93 CG LEU A 415 -4.560 -1.559 -2.243 1.00 0.00 C ATOM 94 CD1 LEU A 415 -4.126 -2.506 -3.358 1.00 0.00 C ATOM 95 CD2 LEU A 415 -3.627 -1.758 -1.039 1.00 0.00 C ATOM 0 H LEU A 415 -3.822 1.354 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.383 -0.119 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.303 0.481 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.796 -0.089 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.580 -1.775 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -4.143 -3.532 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -4.809 -2.411 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -3.116 -2.252 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -3.676 -2.796 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -2.604 -1.517 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -3.938 -1.103 -0.225 1.00 0.00 H new ATOM 107 N ASP A 416 -2.136 1.909 -4.366 1.00 0.00 N ATOM 108 CA ASP A 416 -2.013 3.104 -5.286 1.00 0.00 C ATOM 109 C ASP A 416 -2.982 2.982 -6.488 1.00 0.00 C ATOM 110 O ASP A 416 -3.851 2.109 -6.515 1.00 0.00 O ATOM 111 CB ASP A 416 -0.553 3.241 -5.775 1.00 0.00 C ATOM 112 CG ASP A 416 -0.004 4.618 -5.375 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.407 4.767 -4.234 1.00 0.00 O ATOM 114 OD2 ASP A 416 -0.009 5.502 -6.215 1.00 0.00 O ATOM 0 H ASP A 416 -1.420 1.194 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.286 4.000 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.062 2.453 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.508 3.121 -6.857 1.00 0.00 H new ATOM 119 N ASP A 417 -2.842 3.871 -7.473 1.00 0.00 N ATOM 120 CA ASP A 417 -3.732 3.864 -8.694 1.00 0.00 C ATOM 121 C ASP A 417 -3.786 2.450 -9.326 1.00 0.00 C ATOM 122 O ASP A 417 -2.761 1.824 -9.579 1.00 0.00 O ATOM 123 CB ASP A 417 -3.232 4.910 -9.727 1.00 0.00 C ATOM 124 CG ASP A 417 -1.769 4.645 -10.145 1.00 0.00 C ATOM 125 OD1 ASP A 417 -0.877 5.042 -9.410 1.00 0.00 O ATOM 126 OD2 ASP A 417 -1.570 4.066 -11.201 1.00 0.00 O ATOM 0 H ASP A 417 -2.137 4.608 -7.474 1.00 0.00 H new ATOM 0 HA ASP A 417 -4.743 4.134 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -3.873 4.886 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -3.313 5.910 -9.301 1.00 0.00 H new ATOM 131 N GLY A 418 -4.993 1.948 -9.547 1.00 0.00 N ATOM 132 CA GLY A 418 -5.179 0.576 -10.136 1.00 0.00 C ATOM 133 C GLY A 418 -5.326 -0.514 -9.045 1.00 0.00 C ATOM 134 O GLY A 418 -5.482 -1.673 -9.395 1.00 0.00 O ATOM 0 H GLY A 418 -5.862 2.440 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -6.064 0.573 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.327 0.337 -10.773 1.00 0.00 H new ATOM 138 N PHE A 419 -5.271 -0.169 -7.740 1.00 0.00 N ATOM 139 CA PHE A 419 -5.402 -1.186 -6.636 1.00 0.00 C ATOM 140 C PHE A 419 -4.171 -2.128 -6.662 1.00 0.00 C ATOM 141 O PHE A 419 -4.260 -3.307 -6.995 1.00 0.00 O ATOM 142 CB PHE A 419 -6.736 -1.962 -6.778 1.00 0.00 C ATOM 143 CG PHE A 419 -7.051 -2.695 -5.490 1.00 0.00 C ATOM 144 CD1 PHE A 419 -7.729 -2.039 -4.456 1.00 0.00 C ATOM 145 CD2 PHE A 419 -6.661 -4.030 -5.334 1.00 0.00 C ATOM 146 CE1 PHE A 419 -8.016 -2.718 -3.266 1.00 0.00 C ATOM 147 CE2 PHE A 419 -6.948 -4.709 -4.145 1.00 0.00 C ATOM 148 CZ PHE A 419 -7.624 -4.053 -3.110 1.00 0.00 C ATOM 0 H PHE A 419 -5.139 0.788 -7.413 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.425 -0.687 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.544 -1.271 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.667 -2.672 -7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -8.031 -1.009 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -6.138 -4.536 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -8.540 -2.212 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.648 -5.740 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 419 -7.843 -4.576 -2.191 1.00 0.00 H new ATOM 158 N ILE A 420 -3.022 -1.590 -6.292 1.00 0.00 N ATOM 159 CA ILE A 420 -1.744 -2.393 -6.252 1.00 0.00 C ATOM 160 C ILE A 420 -0.995 -2.104 -4.929 1.00 0.00 C ATOM 161 O ILE A 420 -1.155 -1.047 -4.328 1.00 0.00 O ATOM 162 CB ILE A 420 -0.853 -2.106 -7.488 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.857 -0.611 -7.867 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.375 -2.921 -8.679 1.00 0.00 C ATOM 165 CD1 ILE A 420 -0.044 0.184 -6.848 1.00 0.00 C ATOM 0 H ILE A 420 -2.915 -0.615 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.993 -3.454 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 420 0.170 -2.388 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -0.437 -0.478 -8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.881 -0.238 -7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.754 -2.726 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.338 -3.983 -8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -2.404 -2.634 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -0.050 1.239 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.483 0.063 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 420 0.983 -0.182 -6.837 1.00 0.00 H new ATOM 177 N CYS A 421 -0.214 -3.063 -4.463 1.00 0.00 N ATOM 178 CA CYS A 421 0.520 -2.924 -3.153 1.00 0.00 C ATOM 179 C CYS A 421 1.662 -1.887 -3.222 1.00 0.00 C ATOM 180 O CYS A 421 2.777 -2.195 -3.636 1.00 0.00 O ATOM 181 CB CYS A 421 1.098 -4.294 -2.735 1.00 0.00 C ATOM 182 SG CYS A 421 -0.202 -5.400 -2.110 1.00 0.00 S ATOM 0 H CYS A 421 -0.053 -3.948 -4.943 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.200 -2.571 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 421 1.593 -4.758 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.857 -4.151 -1.966 1.00 0.00 H new ATOM 187 N THR A 422 1.394 -0.671 -2.762 1.00 0.00 N ATOM 188 CA THR A 422 2.461 0.405 -2.712 1.00 0.00 C ATOM 189 C THR A 422 3.287 0.203 -1.407 1.00 0.00 C ATOM 190 O THR A 422 3.145 -0.814 -0.722 1.00 0.00 O ATOM 191 CB THR A 422 1.843 1.835 -2.726 1.00 0.00 C ATOM 192 OG1 THR A 422 0.517 1.821 -3.244 1.00 0.00 O ATOM 193 CG2 THR A 422 2.707 2.752 -3.602 1.00 0.00 C ATOM 0 H THR A 422 0.479 -0.378 -2.418 1.00 0.00 H new ATOM 0 HA THR A 422 3.094 0.318 -3.595 1.00 0.00 H new ATOM 0 HB THR A 422 1.812 2.201 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.098 1.483 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 422 2.278 3.754 -3.614 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.718 2.795 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 422 2.740 2.359 -4.618 1.00 0.00 H new ATOM 201 N ASP A 423 4.154 1.145 -1.062 1.00 0.00 N ATOM 202 CA ASP A 423 4.991 1.009 0.178 1.00 0.00 C ATOM 203 C ASP A 423 4.139 1.218 1.462 1.00 0.00 C ATOM 204 O ASP A 423 2.928 1.429 1.403 1.00 0.00 O ATOM 205 CB ASP A 423 6.149 2.019 0.140 1.00 0.00 C ATOM 206 CG ASP A 423 6.983 1.844 -1.142 1.00 0.00 C ATOM 207 OD1 ASP A 423 7.916 1.056 -1.117 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.671 2.499 -2.126 1.00 0.00 O ATOM 0 H ASP A 423 4.313 2.002 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 423 5.395 -0.003 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 423 5.754 3.034 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.785 1.883 1.015 1.00 0.00 H new ATOM 213 N ILE A 424 4.783 1.148 2.619 1.00 0.00 N ATOM 214 CA ILE A 424 4.069 1.323 3.941 1.00 0.00 C ATOM 215 C ILE A 424 4.468 2.663 4.611 1.00 0.00 C ATOM 216 O ILE A 424 3.598 3.446 4.954 1.00 0.00 O ATOM 217 CB ILE A 424 4.336 0.100 4.874 1.00 0.00 C ATOM 218 CG1 ILE A 424 3.694 0.341 6.248 1.00 0.00 C ATOM 219 CG2 ILE A 424 5.842 -0.166 5.067 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.368 -0.995 6.917 1.00 0.00 C ATOM 0 H ILE A 424 5.785 0.975 2.702 1.00 0.00 H new ATOM 0 HA ILE A 424 2.996 1.364 3.755 1.00 0.00 H new ATOM 0 HB ILE A 424 3.895 -0.773 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.371 0.917 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 424 2.785 0.931 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 424 5.978 -1.026 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.302 -0.371 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.312 0.710 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.913 -0.813 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.673 -1.555 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.285 -1.570 7.047 1.00 0.00 H new ATOM 232 N ASP A 425 5.766 2.925 4.776 1.00 0.00 N ATOM 233 CA ASP A 425 6.269 4.205 5.402 1.00 0.00 C ATOM 234 C ASP A 425 5.694 4.372 6.840 1.00 0.00 C ATOM 235 O ASP A 425 4.964 5.315 7.138 1.00 0.00 O ATOM 236 CB ASP A 425 5.898 5.398 4.485 1.00 0.00 C ATOM 237 CG ASP A 425 6.512 5.208 3.087 1.00 0.00 C ATOM 238 OD1 ASP A 425 7.652 5.602 2.900 1.00 0.00 O ATOM 239 OD2 ASP A 425 5.830 4.667 2.228 1.00 0.00 O ATOM 0 H ASP A 425 6.508 2.285 4.493 1.00 0.00 H new ATOM 0 HA ASP A 425 7.354 4.171 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.814 5.481 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 425 6.257 6.329 4.924 1.00 0.00 H new ATOM 244 N GLU A 426 6.046 3.447 7.725 1.00 0.00 N ATOM 245 CA GLU A 426 5.571 3.491 9.159 1.00 0.00 C ATOM 246 C GLU A 426 6.731 3.312 10.094 1.00 0.00 C ATOM 247 O GLU A 426 6.738 2.376 10.893 1.00 0.00 O ATOM 248 CB GLU A 426 4.524 2.382 9.392 1.00 0.00 C ATOM 249 CG GLU A 426 3.118 2.999 9.546 1.00 0.00 C ATOM 250 CD GLU A 426 2.129 2.315 8.589 1.00 0.00 C ATOM 251 OE1 GLU A 426 1.569 1.298 8.970 1.00 0.00 O ATOM 252 OE2 GLU A 426 1.943 2.823 7.495 1.00 0.00 O ATOM 253 OXT GLU A 426 7.754 4.168 10.060 1.00 0.00 O ATOM 0 H GLU A 426 6.650 2.655 7.508 1.00 0.00 H new ATOM 0 HA GLU A 426 5.114 4.461 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 426 4.532 1.683 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 426 4.779 1.813 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 426 2.775 2.888 10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 426 3.157 4.068 9.337 1.00 0.00 H new