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 81:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 409 -0.870 -6.638 0.586 1.00 0.00 N ATOM 2 CA CYS A 409 -0.420 -5.431 1.294 1.00 0.00 C ATOM 3 C CYS A 409 -1.411 -5.118 2.454 1.00 0.00 C ATOM 4 O CYS A 409 -2.491 -4.597 2.209 1.00 0.00 O ATOM 5 CB CYS A 409 -0.338 -4.242 0.310 1.00 0.00 C ATOM 6 SG CYS A 409 0.912 -4.581 -0.959 1.00 0.00 S ATOM 0 HA CYS A 409 0.573 -5.598 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 409 -1.309 -4.077 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 409 -0.084 -3.329 0.849 1.00 0.00 H new ATOM 12 N PRO A 410 -1.019 -5.473 3.690 1.00 0.00 N ATOM 13 CA PRO A 410 -1.862 -5.261 4.913 1.00 0.00 C ATOM 14 C PRO A 410 -1.847 -3.781 5.397 1.00 0.00 C ATOM 15 O PRO A 410 -1.399 -2.894 4.685 1.00 0.00 O ATOM 16 CB PRO A 410 -1.213 -6.195 5.948 1.00 0.00 C ATOM 17 CG PRO A 410 0.241 -6.435 5.487 1.00 0.00 C ATOM 18 CD PRO A 410 0.287 -6.124 3.983 1.00 0.00 C ATOM 0 HA PRO A 410 -2.916 -5.475 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -1.234 -5.745 6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -1.758 -7.137 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 410 0.931 -5.794 6.036 1.00 0.00 H new ATOM 0 HG3 PRO A 410 0.542 -7.465 5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 410 1.121 -5.465 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 410 0.417 -7.032 3.395 1.00 0.00 H new ATOM 26 N GLU A 411 -2.356 -3.530 6.613 1.00 0.00 N ATOM 27 CA GLU A 411 -2.411 -2.130 7.204 1.00 0.00 C ATOM 28 C GLU A 411 -1.057 -1.407 7.048 1.00 0.00 C ATOM 29 O GLU A 411 -0.002 -1.971 7.330 1.00 0.00 O ATOM 30 CB GLU A 411 -2.785 -2.209 8.695 1.00 0.00 C ATOM 31 CG GLU A 411 -4.313 -2.117 8.846 1.00 0.00 C ATOM 32 CD GLU A 411 -4.777 -0.655 8.702 1.00 0.00 C ATOM 33 OE1 GLU A 411 -4.828 0.036 9.708 1.00 0.00 O ATOM 34 OE2 GLU A 411 -5.074 -0.252 7.585 1.00 0.00 O ATOM 0 H GLU A 411 -2.739 -4.253 7.223 1.00 0.00 H new ATOM 0 HA GLU A 411 -3.168 -1.562 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -2.422 -3.144 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -2.305 -1.399 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -4.798 -2.736 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -4.613 -2.507 9.819 1.00 0.00 H new ATOM 41 N GLY A 412 -1.091 -0.177 6.551 1.00 0.00 N ATOM 42 CA GLY A 412 0.171 0.612 6.301 1.00 0.00 C ATOM 43 C GLY A 412 0.554 0.447 4.820 1.00 0.00 C ATOM 44 O GLY A 412 0.786 1.422 4.124 1.00 0.00 O ATOM 0 H GLY A 412 -1.951 0.315 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 412 0.015 1.664 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 412 0.976 0.256 6.944 1.00 0.00 H new ATOM 48 N TYR A 413 0.562 -0.793 4.342 1.00 0.00 N ATOM 49 CA TYR A 413 0.863 -1.107 2.910 1.00 0.00 C ATOM 50 C TYR A 413 -0.471 -0.899 2.134 1.00 0.00 C ATOM 51 O TYR A 413 -1.275 -1.815 1.986 1.00 0.00 O ATOM 52 CB TYR A 413 1.353 -2.579 2.774 1.00 0.00 C ATOM 53 CG TYR A 413 2.375 -2.982 3.840 1.00 0.00 C ATOM 54 CD1 TYR A 413 1.946 -3.412 5.106 1.00 0.00 C ATOM 55 CD2 TYR A 413 3.746 -2.968 3.546 1.00 0.00 C ATOM 56 CE1 TYR A 413 2.876 -3.820 6.066 1.00 0.00 C ATOM 57 CE2 TYR A 413 4.678 -3.378 4.513 1.00 0.00 C ATOM 58 CZ TYR A 413 4.240 -3.805 5.770 1.00 0.00 C ATOM 59 OH TYR A 413 5.156 -4.208 6.721 1.00 0.00 O ATOM 0 H TYR A 413 0.365 -1.615 4.912 1.00 0.00 H new ATOM 0 HA TYR A 413 1.653 -0.468 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 413 0.494 -3.247 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 413 1.795 -2.717 1.787 1.00 0.00 H new ATOM 0 HD1 TYR A 413 0.892 -3.428 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 413 4.086 -2.641 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 413 2.539 -4.147 7.038 1.00 0.00 H new ATOM 0 HE2 TYR A 413 5.734 -3.363 4.286 1.00 0.00 H new ATOM 0 HH TYR A 413 6.062 -4.138 6.353 1.00 0.00 H new ATOM 69 N ILE A 414 -0.734 0.330 1.708 1.00 0.00 N ATOM 70 CA ILE A 414 -2.047 0.666 1.006 1.00 0.00 C ATOM 71 C ILE A 414 -1.951 0.534 -0.544 1.00 0.00 C ATOM 72 O ILE A 414 -0.995 -0.014 -1.080 1.00 0.00 O ATOM 73 CB ILE A 414 -2.555 2.094 1.443 1.00 0.00 C ATOM 74 CG1 ILE A 414 -1.948 3.256 0.602 1.00 0.00 C ATOM 75 CG2 ILE A 414 -2.259 2.349 2.931 1.00 0.00 C ATOM 76 CD1 ILE A 414 -0.428 3.133 0.459 1.00 0.00 C ATOM 0 H ILE A 414 -0.097 1.120 1.814 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.784 -0.072 1.323 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.630 2.086 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -2.405 3.263 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.191 4.209 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.618 3.340 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -2.764 1.597 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.184 2.291 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -0.050 3.965 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 414 0.033 3.153 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -0.184 2.193 -0.036 1.00 0.00 H new ATOM 88 N LEU A 415 -2.967 1.031 -1.249 1.00 0.00 N ATOM 89 CA LEU A 415 -3.022 0.970 -2.751 1.00 0.00 C ATOM 90 C LEU A 415 -2.741 2.377 -3.324 1.00 0.00 C ATOM 91 O LEU A 415 -3.200 3.377 -2.775 1.00 0.00 O ATOM 92 CB LEU A 415 -4.430 0.524 -3.221 1.00 0.00 C ATOM 93 CG LEU A 415 -4.694 -0.991 -3.010 1.00 0.00 C ATOM 94 CD1 LEU A 415 -3.669 -1.837 -3.762 1.00 0.00 C ATOM 95 CD2 LEU A 415 -4.650 -1.356 -1.524 1.00 0.00 C ATOM 0 H LEU A 415 -3.775 1.486 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 415 -2.278 0.254 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -5.184 1.096 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -4.545 0.762 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 415 -5.689 -1.201 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -3.878 -2.894 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.728 -1.618 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.668 -1.604 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 415 -4.838 -2.423 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -3.668 -1.114 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 415 -5.413 -0.791 -0.988 1.00 0.00 H new ATOM 107 N ASP A 416 -2.002 2.458 -4.420 1.00 0.00 N ATOM 108 CA ASP A 416 -1.677 3.799 -5.049 1.00 0.00 C ATOM 109 C ASP A 416 -1.893 3.773 -6.584 1.00 0.00 C ATOM 110 O ASP A 416 -2.361 2.785 -7.133 1.00 0.00 O ATOM 111 CB ASP A 416 -0.210 4.150 -4.730 1.00 0.00 C ATOM 112 CG ASP A 416 -0.120 4.836 -3.363 1.00 0.00 C ATOM 113 OD1 ASP A 416 0.033 4.132 -2.382 1.00 0.00 O ATOM 114 OD2 ASP A 416 -0.204 6.052 -3.322 1.00 0.00 O ATOM 0 H ASP A 416 -1.609 1.653 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.347 4.553 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 416 0.398 3.245 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.192 4.806 -5.502 1.00 0.00 H new ATOM 119 N ASP A 417 -1.548 4.877 -7.260 1.00 0.00 N ATOM 120 CA ASP A 417 -1.687 5.011 -8.761 1.00 0.00 C ATOM 121 C ASP A 417 -3.120 4.624 -9.222 1.00 0.00 C ATOM 122 O ASP A 417 -4.023 5.446 -9.147 1.00 0.00 O ATOM 123 CB ASP A 417 -0.599 4.149 -9.452 1.00 0.00 C ATOM 124 CG ASP A 417 0.804 4.625 -9.040 1.00 0.00 C ATOM 125 OD1 ASP A 417 1.303 5.550 -9.661 1.00 0.00 O ATOM 126 OD2 ASP A 417 1.354 4.052 -8.112 1.00 0.00 O ATOM 0 H ASP A 417 -1.166 5.709 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 417 -1.538 6.051 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -0.729 3.101 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -0.708 4.213 -10.535 1.00 0.00 H new ATOM 131 N GLY A 418 -3.335 3.387 -9.670 1.00 0.00 N ATOM 132 CA GLY A 418 -4.696 2.925 -10.107 1.00 0.00 C ATOM 133 C GLY A 418 -5.080 1.667 -9.319 1.00 0.00 C ATOM 134 O GLY A 418 -5.500 0.681 -9.903 1.00 0.00 O ATOM 0 H GLY A 418 -2.607 2.677 -9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.431 3.712 -9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.695 2.712 -11.176 1.00 0.00 H new ATOM 138 N PHE A 419 -4.913 1.706 -7.993 1.00 0.00 N ATOM 139 CA PHE A 419 -5.232 0.541 -7.095 1.00 0.00 C ATOM 140 C PHE A 419 -4.192 -0.589 -7.311 1.00 0.00 C ATOM 141 O PHE A 419 -4.488 -1.648 -7.858 1.00 0.00 O ATOM 142 CB PHE A 419 -6.679 0.045 -7.334 1.00 0.00 C ATOM 143 CG PHE A 419 -7.149 -0.747 -6.131 1.00 0.00 C ATOM 144 CD1 PHE A 419 -6.897 -2.123 -6.056 1.00 0.00 C ATOM 145 CD2 PHE A 419 -7.836 -0.105 -5.096 1.00 0.00 C ATOM 146 CE1 PHE A 419 -7.332 -2.856 -4.946 1.00 0.00 C ATOM 147 CE2 PHE A 419 -8.271 -0.836 -3.984 1.00 0.00 C ATOM 148 CZ PHE A 419 -8.020 -2.212 -3.909 1.00 0.00 C ATOM 0 H PHE A 419 -4.559 2.524 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 419 -5.171 0.862 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -7.342 0.893 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -6.718 -0.576 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -6.367 -2.619 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -8.031 0.956 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.138 -3.917 -4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -8.800 -0.339 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.357 -2.776 -3.052 1.00 0.00 H new ATOM 158 N ILE A 420 -2.973 -0.354 -6.855 1.00 0.00 N ATOM 159 CA ILE A 420 -1.871 -1.382 -6.970 1.00 0.00 C ATOM 160 C ILE A 420 -1.147 -1.510 -5.610 1.00 0.00 C ATOM 161 O ILE A 420 -1.121 -0.574 -4.814 1.00 0.00 O ATOM 162 CB ILE A 420 -0.879 -1.045 -8.114 1.00 0.00 C ATOM 163 CG1 ILE A 420 -0.573 0.462 -8.194 1.00 0.00 C ATOM 164 CG2 ILE A 420 -1.489 -1.499 -9.447 1.00 0.00 C ATOM 165 CD1 ILE A 420 0.320 0.882 -7.025 1.00 0.00 C ATOM 0 H ILE A 420 -2.692 0.516 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 420 -2.317 -2.342 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 420 0.057 -1.565 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -0.080 0.691 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -1.503 1.031 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -0.801 -1.267 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -1.668 -2.574 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -2.433 -0.979 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 420 0.530 1.950 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -0.189 0.671 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.256 0.325 -7.064 1.00 0.00 H new ATOM 177 N CYS A 421 -0.600 -2.687 -5.337 1.00 0.00 N ATOM 178 CA CYS A 421 0.090 -2.965 -4.018 1.00 0.00 C ATOM 179 C CYS A 421 1.263 -2.000 -3.769 1.00 0.00 C ATOM 180 O CYS A 421 2.248 -1.990 -4.499 1.00 0.00 O ATOM 181 CB CYS A 421 0.592 -4.420 -3.972 1.00 0.00 C ATOM 182 SG CYS A 421 -0.143 -5.262 -2.544 1.00 0.00 S ATOM 0 H CYS A 421 -0.603 -3.477 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.645 -2.809 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.324 -4.939 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.679 -4.440 -3.900 1.00 0.00 H new ATOM 187 N THR A 422 1.142 -1.205 -2.720 1.00 0.00 N ATOM 188 CA THR A 422 2.211 -0.214 -2.327 1.00 0.00 C ATOM 189 C THR A 422 2.642 -0.494 -0.873 1.00 0.00 C ATOM 190 O THR A 422 1.865 -1.008 -0.070 1.00 0.00 O ATOM 191 CB THR A 422 1.666 1.224 -2.449 1.00 0.00 C ATOM 192 OG1 THR A 422 1.126 1.406 -3.748 1.00 0.00 O ATOM 193 CG2 THR A 422 2.788 2.247 -2.231 1.00 0.00 C ATOM 0 H THR A 422 0.327 -1.202 -2.106 1.00 0.00 H new ATOM 0 HA THR A 422 3.070 -0.317 -2.990 1.00 0.00 H new ATOM 0 HB THR A 422 0.897 1.374 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 422 0.223 1.027 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 422 2.384 3.255 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 422 3.213 2.114 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 422 3.565 2.100 -2.981 1.00 0.00 H new ATOM 201 N ASP A 423 3.879 -0.163 -0.539 1.00 0.00 N ATOM 202 CA ASP A 423 4.404 -0.399 0.851 1.00 0.00 C ATOM 203 C ASP A 423 3.870 0.674 1.846 1.00 0.00 C ATOM 204 O ASP A 423 2.883 1.356 1.584 1.00 0.00 O ATOM 205 CB ASP A 423 5.951 -0.409 0.807 1.00 0.00 C ATOM 206 CG ASP A 423 6.494 -1.502 1.742 1.00 0.00 C ATOM 207 OD1 ASP A 423 6.599 -2.636 1.306 1.00 0.00 O ATOM 208 OD2 ASP A 423 6.789 -1.182 2.885 1.00 0.00 O ATOM 0 H ASP A 423 4.549 0.264 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 423 4.050 -1.365 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 423 6.293 -0.587 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 423 6.338 0.564 1.108 1.00 0.00 H new ATOM 213 N ILE A 424 4.519 0.795 2.990 1.00 0.00 N ATOM 214 CA ILE A 424 4.113 1.770 4.054 1.00 0.00 C ATOM 215 C ILE A 424 4.654 3.182 3.723 1.00 0.00 C ATOM 216 O ILE A 424 3.980 4.167 3.985 1.00 0.00 O ATOM 217 CB ILE A 424 4.633 1.241 5.417 1.00 0.00 C ATOM 218 CG1 ILE A 424 3.843 1.877 6.567 1.00 0.00 C ATOM 219 CG2 ILE A 424 6.134 1.516 5.606 1.00 0.00 C ATOM 220 CD1 ILE A 424 3.364 0.771 7.512 1.00 0.00 C ATOM 0 H ILE A 424 5.338 0.238 3.232 1.00 0.00 H new ATOM 0 HA ILE A 424 3.028 1.860 4.105 1.00 0.00 H new ATOM 0 HB ILE A 424 4.488 0.161 5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 424 4.469 2.588 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 424 2.991 2.434 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 424 6.456 1.129 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 424 6.697 1.024 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 424 6.315 2.590 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.801 1.213 8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 424 2.725 0.077 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 424 4.225 0.234 7.910 1.00 0.00 H new ATOM 232 N ASP A 425 5.854 3.267 3.136 1.00 0.00 N ATOM 233 CA ASP A 425 6.481 4.585 2.748 1.00 0.00 C ATOM 234 C ASP A 425 6.529 5.538 3.977 1.00 0.00 C ATOM 235 O ASP A 425 6.008 6.649 3.946 1.00 0.00 O ATOM 236 CB ASP A 425 5.684 5.188 1.561 1.00 0.00 C ATOM 237 CG ASP A 425 5.790 4.268 0.329 1.00 0.00 C ATOM 238 OD1 ASP A 425 4.989 3.348 0.220 1.00 0.00 O ATOM 239 OD2 ASP A 425 6.671 4.497 -0.485 1.00 0.00 O ATOM 0 H ASP A 425 6.427 2.454 2.910 1.00 0.00 H new ATOM 0 HA ASP A 425 7.511 4.438 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.638 5.314 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 425 6.070 6.178 1.319 1.00 0.00 H new ATOM 244 N GLU A 426 7.157 5.061 5.057 1.00 0.00 N ATOM 245 CA GLU A 426 7.304 5.830 6.361 1.00 0.00 C ATOM 246 C GLU A 426 5.997 5.866 7.098 1.00 0.00 C ATOM 247 O GLU A 426 5.506 6.944 7.427 1.00 0.00 O ATOM 248 CB GLU A 426 7.858 7.266 6.119 1.00 0.00 C ATOM 249 CG GLU A 426 9.405 7.274 6.176 1.00 0.00 C ATOM 250 CD GLU A 426 9.995 6.337 5.101 1.00 0.00 C ATOM 251 OE1 GLU A 426 10.071 6.750 3.953 1.00 0.00 O ATOM 252 OE2 GLU A 426 10.364 5.224 5.446 1.00 0.00 O ATOM 253 OXT GLU A 426 5.368 4.728 7.397 1.00 0.00 O ATOM 0 H GLU A 426 7.587 4.136 5.083 1.00 0.00 H new ATOM 0 HA GLU A 426 8.032 5.307 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 426 7.523 7.631 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 426 7.458 7.947 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 426 9.774 8.288 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 426 9.739 6.958 7.164 1.00 0.00 H new TER 261 GLU A 426