USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 248 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 78:sc= 0.00129 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -15.8! C(o=-16!,f=-22!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -9.17! (180deg=-11.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N LEU A 6 0.218 -8.632 -12.113 1.00 61.35 N ATOM 75 CA LEU A 6 -0.178 -8.987 -13.466 1.00 33.13 C ATOM 76 C LEU A 6 -0.730 -10.414 -13.473 1.00 62.20 C ATOM 77 O LEU A 6 -0.111 -11.325 -12.925 1.00 34.31 O ATOM 78 CB LEU A 6 0.983 -8.772 -14.438 1.00 51.53 C ATOM 79 CG LEU A 6 2.043 -9.874 -14.472 1.00 60.32 C ATOM 80 CD1 LEU A 6 2.620 -10.123 -13.077 1.00 44.34 C ATOM 81 CD2 LEU A 6 1.483 -11.154 -15.097 1.00 43.21 C ATOM 0 HA LEU A 6 -0.978 -8.333 -13.813 1.00 33.13 H new ATOM 0 HB2 LEU A 6 0.574 -8.658 -15.442 1.00 51.53 H new ATOM 0 HB3 LEU A 6 1.473 -7.832 -14.185 1.00 51.53 H new ATOM 0 HG LEU A 6 2.864 -9.539 -15.105 1.00 60.32 H new ATOM 0 HD11 LEU A 6 3.371 -10.911 -13.129 1.00 44.34 H new ATOM 0 HD12 LEU A 6 3.080 -9.208 -12.705 1.00 44.34 H new ATOM 0 HD13 LEU A 6 1.821 -10.428 -12.402 1.00 44.34 H new ATOM 0 HD21 LEU A 6 2.257 -11.922 -15.109 1.00 43.21 H new ATOM 0 HD22 LEU A 6 0.634 -11.504 -14.510 1.00 43.21 H new ATOM 0 HD23 LEU A 6 1.159 -10.949 -16.117 1.00 43.21 H new ATOM 93 N GLN A 7 -1.887 -10.564 -14.100 1.00 53.11 N ATOM 94 CA GLN A 7 -2.529 -11.865 -14.186 1.00 51.30 C ATOM 95 C GLN A 7 -2.716 -12.269 -15.650 1.00 13.42 C ATOM 96 O GLN A 7 -2.215 -13.306 -16.080 1.00 61.11 O ATOM 97 CB GLN A 7 -3.866 -11.867 -13.442 1.00 3.25 C ATOM 98 CG GLN A 7 -3.677 -11.476 -11.974 1.00 62.23 C ATOM 99 CD GLN A 7 -4.430 -12.435 -11.050 1.00 54.13 C ATOM 100 OE1 GLN A 7 -3.952 -13.499 -10.694 1.00 3.05 O ATOM 101 NE2 GLN A 7 -5.633 -12.000 -10.684 1.00 23.11 N ATOM 0 H GLN A 7 -2.397 -9.806 -14.554 1.00 53.11 H new ATOM 0 HA GLN A 7 -1.882 -12.600 -13.706 1.00 51.30 H new ATOM 0 HB2 GLN A 7 -4.554 -11.171 -13.922 1.00 3.25 H new ATOM 0 HB3 GLN A 7 -4.319 -12.857 -13.503 1.00 3.25 H new ATOM 0 HG2 GLN A 7 -2.616 -11.484 -11.726 1.00 62.23 H new ATOM 0 HG3 GLN A 7 -4.034 -10.458 -11.816 1.00 62.23 H new ATOM 0 HE21 GLN A 7 -5.973 -11.098 -11.019 1.00 23.11 H new ATOM 0 HE22 GLN A 7 -6.215 -12.568 -10.069 1.00 23.11 H new ATOM 110 N LYS A 8 -3.439 -11.428 -16.375 1.00 12.32 N ATOM 111 CA LYS A 8 -3.699 -11.684 -17.781 1.00 63.13 C ATOM 112 C LYS A 8 -4.606 -10.585 -18.337 1.00 12.43 C ATOM 113 O LYS A 8 -4.130 -9.638 -18.961 1.00 3.23 O ATOM 114 CB LYS A 8 -4.255 -13.096 -17.975 1.00 25.43 C ATOM 115 CG LYS A 8 -5.278 -13.436 -16.889 1.00 64.50 C ATOM 116 CD LYS A 8 -4.940 -14.768 -16.215 1.00 41.11 C ATOM 117 CE LYS A 8 -5.297 -14.735 -14.728 1.00 25.53 C ATOM 118 NZ LYS A 8 -6.190 -15.864 -14.384 1.00 72.23 N ATOM 0 H LYS A 8 -3.853 -10.568 -16.015 1.00 12.32 H new ATOM 0 HA LYS A 8 -2.771 -11.650 -18.351 1.00 63.13 H new ATOM 0 HB2 LYS A 8 -4.722 -13.175 -18.957 1.00 25.43 H new ATOM 0 HB3 LYS A 8 -3.439 -13.819 -17.950 1.00 25.43 H new ATOM 0 HG2 LYS A 8 -5.299 -12.642 -16.143 1.00 64.50 H new ATOM 0 HG3 LYS A 8 -6.275 -13.489 -17.327 1.00 64.50 H new ATOM 0 HD2 LYS A 8 -5.483 -15.576 -16.705 1.00 41.11 H new ATOM 0 HD3 LYS A 8 -3.877 -14.980 -16.333 1.00 41.11 H new ATOM 0 HE2 LYS A 8 -4.388 -14.787 -14.129 1.00 25.53 H new ATOM 0 HE3 LYS A 8 -5.785 -13.791 -14.486 1.00 25.53 H new ATOM 0 HZ1 LYS A 8 -6.423 -15.827 -13.371 1.00 72.23 H new ATOM 0 HZ2 LYS A 8 -7.065 -15.797 -14.943 1.00 72.23 H new ATOM 0 HZ3 LYS A 8 -5.711 -16.762 -14.596 1.00 72.23 H new ATOM 132 N TYR A 9 -5.898 -10.747 -18.090 1.00 2.33 N ATOM 133 CA TYR A 9 -6.876 -9.780 -18.557 1.00 53.34 C ATOM 134 C TYR A 9 -6.364 -8.349 -18.375 1.00 72.50 C ATOM 135 O TYR A 9 -6.764 -7.445 -19.107 1.00 22.21 O ATOM 136 CB TYR A 9 -8.117 -9.980 -17.685 1.00 10.42 C ATOM 137 CG TYR A 9 -7.954 -9.481 -16.248 1.00 21.24 C ATOM 138 CD1 TYR A 9 -6.855 -9.863 -15.505 1.00 44.13 C ATOM 139 CD2 TYR A 9 -8.906 -8.650 -15.693 1.00 42.12 C ATOM 140 CE1 TYR A 9 -6.701 -9.394 -14.153 1.00 0.24 C ATOM 141 CE2 TYR A 9 -8.752 -8.181 -14.341 1.00 12.35 C ATOM 142 CZ TYR A 9 -7.657 -8.576 -13.637 1.00 13.20 C ATOM 143 OH TYR A 9 -7.512 -8.133 -12.359 1.00 53.34 O ATOM 0 H TYR A 9 -6.290 -11.534 -17.572 1.00 2.33 H new ATOM 0 HA TYR A 9 -7.082 -9.925 -19.617 1.00 53.34 H new ATOM 0 HB2 TYR A 9 -8.959 -9.463 -18.145 1.00 10.42 H new ATOM 0 HB3 TYR A 9 -8.367 -11.041 -17.664 1.00 10.42 H new ATOM 0 HD1 TYR A 9 -6.110 -10.514 -15.938 1.00 44.13 H new ATOM 0 HD2 TYR A 9 -9.767 -8.352 -16.273 1.00 42.12 H new ATOM 0 HE1 TYR A 9 -5.845 -9.685 -13.562 1.00 0.24 H new ATOM 0 HE2 TYR A 9 -9.489 -7.530 -13.895 1.00 12.35 H new ATOM 0 HH TYR A 9 -6.853 -7.408 -12.337 1.00 53.34 H new ATOM 153 N TYR A 10 -5.487 -8.189 -17.395 1.00 35.43 N ATOM 154 CA TYR A 10 -4.917 -6.885 -17.107 1.00 3.51 C ATOM 155 C TYR A 10 -3.434 -7.002 -16.749 1.00 44.43 C ATOM 156 O TYR A 10 -2.836 -6.052 -16.246 1.00 41.41 O ATOM 157 CB TYR A 10 -5.681 -6.348 -15.895 1.00 25.24 C ATOM 158 CG TYR A 10 -5.007 -6.645 -14.553 1.00 44.35 C ATOM 159 CD1 TYR A 10 -4.336 -7.836 -14.367 1.00 24.42 C ATOM 160 CD2 TYR A 10 -5.069 -5.721 -13.530 1.00 54.33 C ATOM 161 CE1 TYR A 10 -3.701 -8.115 -13.105 1.00 32.54 C ATOM 162 CE2 TYR A 10 -4.435 -6.000 -12.268 1.00 51.21 C ATOM 163 CZ TYR A 10 -3.782 -7.183 -12.117 1.00 73.45 C ATOM 164 OH TYR A 10 -3.183 -7.447 -10.925 1.00 51.04 O ATOM 0 H TYR A 10 -5.157 -8.942 -16.790 1.00 35.43 H new ATOM 0 HA TYR A 10 -4.998 -6.231 -17.975 1.00 3.51 H new ATOM 0 HB2 TYR A 10 -5.798 -5.269 -16.001 1.00 25.24 H new ATOM 0 HB3 TYR A 10 -6.683 -6.778 -15.890 1.00 25.24 H new ATOM 0 HD1 TYR A 10 -4.287 -8.559 -15.168 1.00 24.42 H new ATOM 0 HD2 TYR A 10 -5.593 -4.788 -13.676 1.00 54.33 H new ATOM 0 HE1 TYR A 10 -3.172 -9.043 -12.946 1.00 32.54 H new ATOM 0 HE2 TYR A 10 -4.477 -5.286 -11.459 1.00 51.21 H new ATOM 0 HH TYR A 10 -3.322 -6.693 -10.315 1.00 51.04 H new ATOM 174 N CYS A 11 -2.882 -8.175 -17.023 1.00 55.22 N ATOM 175 CA CYS A 11 -1.481 -8.428 -16.737 1.00 23.43 C ATOM 176 C CYS A 11 -0.678 -7.186 -17.128 1.00 60.35 C ATOM 177 O CYS A 11 -0.509 -6.900 -18.313 1.00 23.42 O ATOM 178 CB CYS A 11 -0.975 -9.683 -17.451 1.00 74.43 C ATOM 179 SG CYS A 11 0.810 -9.671 -17.853 1.00 30.41 S ATOM 0 H CYS A 11 -3.381 -8.961 -17.440 1.00 55.22 H new ATOM 0 HA CYS A 11 -1.354 -8.620 -15.672 1.00 23.43 H new ATOM 0 HB2 CYS A 11 -1.186 -10.550 -16.825 1.00 74.43 H new ATOM 0 HB3 CYS A 11 -1.540 -9.811 -18.374 1.00 74.43 H new ATOM 284 N CYS A 18 -1.316 -5.275 -22.381 1.00 1.14 N ATOM 285 CA CYS A 18 -0.913 -6.142 -23.475 1.00 12.02 C ATOM 286 C CYS A 18 -0.130 -5.305 -24.488 1.00 0.32 C ATOM 287 O CYS A 18 -0.136 -4.077 -24.420 1.00 52.54 O ATOM 288 CB CYS A 18 -2.115 -6.838 -24.117 1.00 51.41 C ATOM 289 SG CYS A 18 -3.019 -7.984 -23.013 1.00 3.40 S ATOM 0 HA CYS A 18 -0.275 -6.940 -23.094 1.00 12.02 H new ATOM 0 HB2 CYS A 18 -2.809 -6.077 -24.475 1.00 51.41 H new ATOM 0 HB3 CYS A 18 -1.772 -7.392 -24.991 1.00 51.41 H new ATOM 294 N HIS A 19 0.526 -6.003 -25.403 1.00 52.33 N ATOM 295 CA HIS A 19 1.312 -5.339 -26.429 1.00 43.11 C ATOM 296 C HIS A 19 0.445 -4.309 -27.155 1.00 15.11 C ATOM 297 O HIS A 19 -0.713 -4.579 -27.471 1.00 31.12 O ATOM 298 CB HIS A 19 1.939 -6.361 -27.379 1.00 63.03 C ATOM 299 CG HIS A 19 2.796 -5.749 -28.462 1.00 12.52 C ATOM 300 ND1 HIS A 19 2.368 -4.695 -29.250 1.00 53.32 N ATOM 301 CD2 HIS A 19 4.059 -6.052 -28.877 1.00 41.22 C ATOM 302 CE1 HIS A 19 3.337 -4.387 -30.099 1.00 1.40 C ATOM 303 NE2 HIS A 19 4.384 -5.229 -29.867 1.00 23.14 N ATOM 0 H HIS A 19 0.529 -7.022 -25.455 1.00 52.33 H new ATOM 0 HA HIS A 19 2.141 -4.803 -25.966 1.00 43.11 H new ATOM 0 HB2 HIS A 19 2.546 -7.056 -26.799 1.00 63.03 H new ATOM 0 HB3 HIS A 19 1.144 -6.944 -27.845 1.00 63.03 H new ATOM 0 HD1 HIS A 19 1.460 -4.234 -29.188 1.00 53.32 H new ATOM 0 HD2 HIS A 19 4.688 -6.829 -28.470 1.00 41.22 H new ATOM 0 HE1 HIS A 19 3.304 -3.606 -30.844 1.00 1.40 H new ATOM 312 N PRO A 20 1.053 -3.119 -27.405 1.00 2.43 N ATOM 313 CA PRO A 20 0.349 -2.047 -28.087 1.00 50.44 C ATOM 314 C PRO A 20 0.226 -2.337 -29.585 1.00 23.45 C ATOM 315 O PRO A 20 1.152 -2.869 -30.195 1.00 43.23 O ATOM 316 CB PRO A 20 1.156 -0.794 -27.790 1.00 3.41 C ATOM 317 CG PRO A 20 2.527 -1.277 -27.345 1.00 42.24 C ATOM 318 CD PRO A 20 2.423 -2.763 -27.045 1.00 72.11 C ATOM 0 HA PRO A 20 -0.679 -1.934 -27.742 1.00 50.44 H new ATOM 0 HB2 PRO A 20 1.233 -0.160 -28.674 1.00 3.41 H new ATOM 0 HB3 PRO A 20 0.680 -0.198 -27.011 1.00 3.41 H new ATOM 0 HG2 PRO A 20 3.267 -1.096 -28.125 1.00 42.24 H new ATOM 0 HG3 PRO A 20 2.855 -0.731 -26.461 1.00 42.24 H new ATOM 0 HD2 PRO A 20 3.146 -3.336 -27.625 1.00 72.11 H new ATOM 0 HD3 PRO A 20 2.623 -2.970 -25.994 1.00 72.11 H new ATOM 326 N VAL A 21 -0.925 -1.976 -30.133 1.00 24.04 N ATOM 327 CA VAL A 21 -1.180 -2.191 -31.547 1.00 34.44 C ATOM 328 C VAL A 21 -1.563 -3.655 -31.774 1.00 63.22 C ATOM 329 O VAL A 21 -2.614 -3.945 -32.343 1.00 52.42 O ATOM 330 CB VAL A 21 0.033 -1.755 -32.370 1.00 61.53 C ATOM 331 CG1 VAL A 21 -0.350 -1.531 -33.834 1.00 61.44 C ATOM 332 CG2 VAL A 21 0.679 -0.503 -31.774 1.00 52.14 C ATOM 0 H VAL A 21 -1.691 -1.536 -29.623 1.00 24.04 H new ATOM 0 HA VAL A 21 -2.018 -1.580 -31.882 1.00 34.44 H new ATOM 0 HB VAL A 21 0.768 -2.559 -32.335 1.00 61.53 H new ATOM 0 HG11 VAL A 21 0.530 -1.222 -34.397 1.00 61.44 H new ATOM 0 HG12 VAL A 21 -0.742 -2.458 -34.253 1.00 61.44 H new ATOM 0 HG13 VAL A 21 -1.112 -0.754 -33.896 1.00 61.44 H new ATOM 0 HG21 VAL A 21 1.539 -0.214 -32.378 1.00 52.14 H new ATOM 0 HG22 VAL A 21 -0.046 0.311 -31.763 1.00 52.14 H new ATOM 0 HG23 VAL A 21 1.005 -0.712 -30.755 1.00 52.14 H new ATOM 342 N PHE A 22 -0.688 -4.540 -31.318 1.00 12.20 N ATOM 343 CA PHE A 22 -0.921 -5.967 -31.465 1.00 0.53 C ATOM 344 C PHE A 22 0.017 -6.771 -30.562 1.00 51.21 C ATOM 345 O PHE A 22 0.581 -6.233 -29.611 1.00 3.31 O ATOM 346 CB PHE A 22 -0.631 -6.319 -32.925 1.00 20.21 C ATOM 347 CG PHE A 22 0.837 -6.645 -33.207 1.00 22.05 C ATOM 348 CD1 PHE A 22 1.816 -6.078 -32.452 1.00 24.12 C ATOM 349 CD2 PHE A 22 1.163 -7.501 -34.212 1.00 20.34 C ATOM 350 CE1 PHE A 22 3.179 -6.380 -32.713 1.00 70.43 C ATOM 351 CE2 PHE A 22 2.526 -7.804 -34.473 1.00 53.41 C ATOM 352 CZ PHE A 22 3.505 -7.237 -33.718 1.00 51.34 C ATOM 0 H PHE A 22 0.183 -4.296 -30.847 1.00 12.20 H new ATOM 0 HA PHE A 22 -1.946 -6.208 -31.185 1.00 0.53 H new ATOM 0 HB2 PHE A 22 -1.244 -7.174 -33.210 1.00 20.21 H new ATOM 0 HB3 PHE A 22 -0.935 -5.484 -33.557 1.00 20.21 H new ATOM 0 HD1 PHE A 22 1.557 -5.398 -31.654 1.00 24.12 H new ATOM 0 HD2 PHE A 22 0.386 -7.951 -34.812 1.00 20.34 H new ATOM 0 HE1 PHE A 22 3.956 -5.929 -32.114 1.00 70.43 H new ATOM 0 HE2 PHE A 22 2.785 -8.484 -35.271 1.00 53.41 H new ATOM 0 HZ PHE A 22 4.541 -7.467 -33.916 1.00 51.34 H new ATOM 362 N CYS A 23 0.154 -8.046 -30.892 1.00 63.55 N ATOM 363 CA CYS A 23 1.014 -8.930 -30.124 1.00 21.24 C ATOM 364 C CYS A 23 1.746 -9.855 -31.098 1.00 21.42 C ATOM 365 O CYS A 23 1.121 -10.487 -31.948 1.00 31.20 O ATOM 366 CB CYS A 23 0.225 -9.716 -29.075 1.00 14.35 C ATOM 367 SG CYS A 23 0.776 -9.460 -27.349 1.00 3.24 S ATOM 0 H CYS A 23 -0.316 -8.489 -31.681 1.00 63.55 H new ATOM 0 HA CYS A 23 1.743 -8.339 -29.569 1.00 21.24 H new ATOM 0 HB2 CYS A 23 -0.827 -9.440 -29.150 1.00 14.35 H new ATOM 0 HB3 CYS A 23 0.294 -10.778 -29.310 1.00 14.35 H new ATOM 372 N PRO A 24 3.096 -9.907 -30.937 1.00 74.23 N ATOM 373 CA PRO A 24 3.919 -10.745 -31.793 1.00 4.54 C ATOM 374 C PRO A 24 3.783 -12.220 -31.411 1.00 54.03 C ATOM 375 O PRO A 24 2.758 -12.633 -30.870 1.00 1.40 O ATOM 376 CB PRO A 24 5.333 -10.214 -31.618 1.00 62.41 C ATOM 377 CG PRO A 24 5.321 -9.410 -30.328 1.00 74.23 C ATOM 378 CD PRO A 24 3.870 -9.173 -29.941 1.00 41.32 C ATOM 0 HA PRO A 24 3.617 -10.703 -32.840 1.00 4.54 H new ATOM 0 HB2 PRO A 24 6.053 -11.031 -31.562 1.00 62.41 H new ATOM 0 HB3 PRO A 24 5.623 -9.591 -32.464 1.00 62.41 H new ATOM 0 HG2 PRO A 24 5.844 -9.948 -29.538 1.00 74.23 H new ATOM 0 HG3 PRO A 24 5.840 -8.461 -30.465 1.00 74.23 H new ATOM 0 HD2 PRO A 24 3.665 -9.536 -28.934 1.00 41.32 H new ATOM 0 HD3 PRO A 24 3.625 -8.111 -29.953 1.00 41.32 H new ATOM 386 N ARG A 25 4.830 -12.975 -31.709 1.00 3.53 N ATOM 387 CA ARG A 25 4.840 -14.395 -31.404 1.00 21.22 C ATOM 388 C ARG A 25 6.169 -14.790 -30.756 1.00 13.35 C ATOM 389 O ARG A 25 7.189 -14.140 -30.978 1.00 62.34 O ATOM 390 CB ARG A 25 4.629 -15.231 -32.668 1.00 20.24 C ATOM 391 CG ARG A 25 3.164 -15.650 -32.810 1.00 3.13 C ATOM 392 CD ARG A 25 3.043 -16.972 -33.571 1.00 2.41 C ATOM 393 NE ARG A 25 1.688 -17.538 -33.389 1.00 50.14 N ATOM 394 CZ ARG A 25 0.630 -17.210 -34.143 1.00 72.12 C ATOM 395 NH1 ARG A 25 0.763 -16.318 -35.134 1.00 4.22 N ATOM 396 NH2 ARG A 25 -0.562 -17.775 -33.906 1.00 53.43 N ATOM 0 H ARG A 25 5.678 -12.630 -32.159 1.00 3.53 H new ATOM 0 HA ARG A 25 4.022 -14.591 -30.711 1.00 21.22 H new ATOM 0 HB2 ARG A 25 4.933 -14.657 -33.543 1.00 20.24 H new ATOM 0 HB3 ARG A 25 5.263 -16.117 -32.632 1.00 20.24 H new ATOM 0 HG2 ARG A 25 2.714 -15.752 -31.823 1.00 3.13 H new ATOM 0 HG3 ARG A 25 2.609 -14.872 -33.334 1.00 3.13 H new ATOM 0 HD2 ARG A 25 3.239 -16.810 -34.631 1.00 2.41 H new ATOM 0 HD3 ARG A 25 3.792 -17.678 -33.212 1.00 2.41 H new ATOM 0 HE ARG A 25 1.551 -18.220 -32.643 1.00 50.14 H new ATOM 0 HH11 ARG A 25 1.670 -15.888 -35.315 1.00 4.22 H new ATOM 0 HH12 ARG A 25 -0.043 -16.069 -35.708 1.00 4.22 H new ATOM 0 HH21 ARG A 25 -0.663 -18.454 -33.152 1.00 53.43 H new ATOM 0 HH22 ARG A 25 -1.368 -17.526 -34.480 1.00 53.43 H new ATOM 410 N ARG A 26 6.113 -15.852 -29.966 1.00 72.31 N ATOM 411 CA ARG A 26 7.299 -16.341 -29.284 1.00 61.10 C ATOM 412 C ARG A 26 7.660 -15.417 -28.119 1.00 63.13 C ATOM 413 O ARG A 26 8.482 -15.769 -27.275 1.00 30.55 O ATOM 414 CB ARG A 26 8.488 -16.431 -30.243 1.00 1.42 C ATOM 415 CG ARG A 26 8.078 -17.081 -31.566 1.00 11.33 C ATOM 416 CD ARG A 26 8.071 -18.606 -31.448 1.00 64.21 C ATOM 417 NE ARG A 26 6.777 -19.066 -30.896 1.00 5.33 N ATOM 418 CZ ARG A 26 6.420 -20.353 -30.792 1.00 13.23 C ATOM 419 NH1 ARG A 26 7.256 -21.316 -31.202 1.00 1.12 N ATOM 420 NH2 ARG A 26 5.225 -20.677 -30.278 1.00 3.24 N ATOM 0 H ARG A 26 5.265 -16.388 -29.783 1.00 72.31 H new ATOM 0 HA ARG A 26 7.077 -17.339 -28.905 1.00 61.10 H new ATOM 0 HB2 ARG A 26 8.884 -15.433 -30.431 1.00 1.42 H new ATOM 0 HB3 ARG A 26 9.288 -17.010 -29.782 1.00 1.42 H new ATOM 0 HG2 ARG A 26 7.087 -16.731 -31.856 1.00 11.33 H new ATOM 0 HG3 ARG A 26 8.767 -16.777 -32.354 1.00 11.33 H new ATOM 0 HD2 ARG A 26 8.238 -19.055 -32.427 1.00 64.21 H new ATOM 0 HD3 ARG A 26 8.887 -18.933 -30.804 1.00 64.21 H new ATOM 0 HE ARG A 26 6.116 -18.359 -30.575 1.00 5.33 H new ATOM 0 HH11 ARG A 26 8.165 -21.070 -31.594 1.00 1.12 H new ATOM 0 HH12 ARG A 26 6.984 -22.296 -31.123 1.00 1.12 H new ATOM 0 HH21 ARG A 26 4.588 -19.944 -29.966 1.00 3.24 H new ATOM 0 HH22 ARG A 26 4.953 -21.657 -30.199 1.00 3.24 H new ATOM 434 N TYR A 27 7.029 -14.252 -28.112 1.00 33.52 N ATOM 435 CA TYR A 27 7.273 -13.275 -27.065 1.00 22.24 C ATOM 436 C TYR A 27 7.489 -13.961 -25.714 1.00 65.11 C ATOM 437 O TYR A 27 8.611 -14.337 -25.377 1.00 43.32 O ATOM 438 CB TYR A 27 6.011 -12.413 -26.989 1.00 64.32 C ATOM 439 CG TYR A 27 4.738 -13.134 -27.437 1.00 1.24 C ATOM 440 CD1 TYR A 27 4.603 -14.491 -27.227 1.00 21.13 C ATOM 441 CD2 TYR A 27 3.724 -12.426 -28.050 1.00 62.33 C ATOM 442 CE1 TYR A 27 3.405 -15.169 -27.648 1.00 33.22 C ATOM 443 CE2 TYR A 27 2.526 -13.104 -28.471 1.00 73.44 C ATOM 444 CZ TYR A 27 2.425 -14.442 -28.249 1.00 61.44 C ATOM 445 OH TYR A 27 1.293 -15.083 -28.647 1.00 42.12 O ATOM 0 H TYR A 27 6.349 -13.963 -28.815 1.00 33.52 H new ATOM 0 HA TYR A 27 8.166 -12.691 -27.287 1.00 22.24 H new ATOM 0 HB2 TYR A 27 5.880 -12.069 -25.963 1.00 64.32 H new ATOM 0 HB3 TYR A 27 6.151 -11.526 -27.607 1.00 64.32 H new ATOM 0 HD1 TYR A 27 5.396 -15.045 -26.747 1.00 21.13 H new ATOM 0 HD2 TYR A 27 3.829 -11.364 -28.214 1.00 62.33 H new ATOM 0 HE1 TYR A 27 3.287 -16.231 -27.490 1.00 33.22 H new ATOM 0 HE2 TYR A 27 1.725 -12.562 -28.952 1.00 73.44 H new ATOM 0 HH TYR A 27 0.680 -14.439 -29.059 1.00 42.12 H new ATOM 455 N LYS A 28 6.398 -14.104 -24.977 1.00 54.53 N ATOM 456 CA LYS A 28 6.454 -14.738 -23.671 1.00 53.41 C ATOM 457 C LYS A 28 5.086 -14.623 -22.994 1.00 64.13 C ATOM 458 O LYS A 28 4.921 -13.856 -22.047 1.00 72.01 O ATOM 459 CB LYS A 28 7.601 -14.156 -22.842 1.00 72.21 C ATOM 460 CG LYS A 28 8.830 -15.066 -22.892 1.00 73.42 C ATOM 461 CD LYS A 28 10.112 -14.248 -23.060 1.00 75.25 C ATOM 462 CE LYS A 28 11.119 -14.983 -23.947 1.00 74.31 C ATOM 463 NZ LYS A 28 11.872 -15.983 -23.157 1.00 42.51 N ATOM 0 H LYS A 28 5.469 -13.791 -25.260 1.00 54.53 H new ATOM 0 HA LYS A 28 6.672 -15.801 -23.772 1.00 53.41 H new ATOM 0 HB2 LYS A 28 7.861 -13.167 -23.218 1.00 72.21 H new ATOM 0 HB3 LYS A 28 7.280 -14.029 -21.808 1.00 72.21 H new ATOM 0 HG2 LYS A 28 8.888 -15.655 -21.977 1.00 73.42 H new ATOM 0 HG3 LYS A 28 8.732 -15.770 -23.719 1.00 73.42 H new ATOM 0 HD2 LYS A 28 9.874 -13.279 -23.499 1.00 75.25 H new ATOM 0 HD3 LYS A 28 10.555 -14.055 -22.083 1.00 75.25 H new ATOM 0 HE2 LYS A 28 10.598 -15.476 -24.767 1.00 74.31 H new ATOM 0 HE3 LYS A 28 11.810 -14.268 -24.393 1.00 74.31 H new ATOM 0 HZ1 LYS A 28 12.551 -16.473 -23.774 1.00 42.51 H new ATOM 0 HZ2 LYS A 28 12.385 -15.504 -22.389 1.00 42.51 H new ATOM 0 HZ3 LYS A 28 11.210 -16.676 -22.752 1.00 42.51 H new ATOM 477 N GLN A 29 4.141 -15.397 -23.507 1.00 24.51 N ATOM 478 CA GLN A 29 2.794 -15.393 -22.964 1.00 14.32 C ATOM 479 C GLN A 29 2.836 -15.282 -21.438 1.00 43.04 C ATOM 480 O GLN A 29 3.133 -16.257 -20.750 1.00 31.12 O ATOM 481 CB GLN A 29 2.022 -16.639 -23.402 1.00 14.14 C ATOM 482 CG GLN A 29 0.533 -16.330 -23.573 1.00 40.32 C ATOM 483 CD GLN A 29 -0.317 -17.581 -23.343 1.00 41.01 C ATOM 484 OE1 GLN A 29 -0.515 -18.399 -24.226 1.00 72.21 O ATOM 485 NE2 GLN A 29 -0.806 -17.683 -22.111 1.00 31.54 N ATOM 0 H GLN A 29 4.282 -16.031 -24.293 1.00 24.51 H new ATOM 0 HA GLN A 29 2.268 -14.523 -23.357 1.00 14.32 H new ATOM 0 HB2 GLN A 29 2.430 -17.012 -24.341 1.00 14.14 H new ATOM 0 HB3 GLN A 29 2.150 -17.429 -22.662 1.00 14.14 H new ATOM 0 HG2 GLN A 29 0.237 -15.551 -22.871 1.00 40.32 H new ATOM 0 HG3 GLN A 29 0.351 -15.942 -24.575 1.00 40.32 H new ATOM 0 HE21 GLN A 29 -0.601 -16.962 -21.420 1.00 31.54 H new ATOM 0 HE22 GLN A 29 -1.386 -18.483 -21.857 1.00 31.54 H new ATOM 494 N ILE A 30 2.536 -14.086 -20.955 1.00 53.52 N ATOM 495 CA ILE A 30 2.536 -13.835 -19.524 1.00 1.30 C ATOM 496 C ILE A 30 1.144 -13.369 -19.092 1.00 22.22 C ATOM 497 O ILE A 30 0.888 -13.188 -17.903 1.00 12.05 O ATOM 498 CB ILE A 30 3.654 -12.859 -19.151 1.00 61.02 C ATOM 499 CG1 ILE A 30 5.028 -13.517 -19.298 1.00 54.14 C ATOM 500 CG2 ILE A 30 3.439 -12.289 -17.748 1.00 10.12 C ATOM 501 CD1 ILE A 30 6.038 -12.546 -19.913 1.00 53.11 C ATOM 0 H ILE A 30 2.291 -13.279 -21.529 1.00 53.52 H new ATOM 0 HA ILE A 30 2.750 -14.753 -18.977 1.00 1.30 H new ATOM 0 HB ILE A 30 3.622 -12.021 -19.847 1.00 61.02 H new ATOM 0 HG12 ILE A 30 5.383 -13.847 -18.322 1.00 54.14 H new ATOM 0 HG13 ILE A 30 4.945 -14.405 -19.924 1.00 54.14 H new ATOM 0 HG21 ILE A 30 4.248 -11.598 -17.508 1.00 10.12 H new ATOM 0 HG22 ILE A 30 2.487 -11.759 -17.712 1.00 10.12 H new ATOM 0 HG23 ILE A 30 3.429 -13.102 -17.022 1.00 10.12 H new ATOM 0 HD11 ILE A 30 7.006 -13.039 -20.006 1.00 53.11 H new ATOM 0 HD12 ILE A 30 5.692 -12.237 -20.899 1.00 53.11 H new ATOM 0 HD13 ILE A 30 6.137 -11.670 -19.272 1.00 53.11 H new ATOM 513 N GLY A 31 0.282 -13.189 -20.081 1.00 73.13 N ATOM 514 CA GLY A 31 -1.078 -12.748 -19.818 1.00 64.13 C ATOM 515 C GLY A 31 -1.893 -12.685 -21.111 1.00 52.43 C ATOM 516 O GLY A 31 -1.373 -12.958 -22.192 1.00 3.52 O ATOM 0 H GLY A 31 0.498 -13.340 -21.066 1.00 73.13 H new ATOM 0 HA2 GLY A 31 -1.556 -13.431 -19.115 1.00 64.13 H new ATOM 0 HA3 GLY A 31 -1.061 -11.765 -19.346 1.00 64.13 H new ATOM 520 N THR A 32 -3.159 -12.323 -20.958 1.00 5.31 N ATOM 521 CA THR A 32 -4.051 -12.220 -22.100 1.00 12.22 C ATOM 522 C THR A 32 -5.196 -11.252 -21.796 1.00 13.20 C ATOM 523 O THR A 32 -5.896 -11.407 -20.797 1.00 14.14 O ATOM 524 CB THR A 32 -4.526 -13.630 -22.457 1.00 41.33 C ATOM 525 OG1 THR A 32 -4.313 -14.380 -21.265 1.00 35.31 O ATOM 526 CG2 THR A 32 -3.623 -14.307 -23.490 1.00 60.40 C ATOM 0 H THR A 32 -3.588 -12.098 -20.060 1.00 5.31 H new ATOM 0 HA THR A 32 -3.538 -11.805 -22.967 1.00 12.22 H new ATOM 0 HB THR A 32 -5.545 -13.584 -22.840 1.00 41.33 H new ATOM 0 HG1 THR A 32 -4.596 -15.307 -21.407 1.00 35.31 H new ATOM 0 HG21 THR A 32 -4.004 -15.305 -23.708 1.00 60.40 H new ATOM 0 HG22 THR A 32 -3.610 -13.715 -24.405 1.00 60.40 H new ATOM 0 HG23 THR A 32 -2.611 -14.384 -23.093 1.00 60.40 H new ATOM 534 N CYS A 33 -5.352 -10.274 -22.677 1.00 24.33 N ATOM 535 CA CYS A 33 -6.400 -9.281 -22.515 1.00 62.12 C ATOM 536 C CYS A 33 -7.149 -9.153 -23.843 1.00 32.40 C ATOM 537 O CYS A 33 -6.776 -9.780 -24.833 1.00 45.34 O ATOM 538 CB CYS A 33 -5.839 -7.938 -22.045 1.00 45.42 C ATOM 539 SG CYS A 33 -4.936 -6.993 -23.326 1.00 41.42 S ATOM 0 H CYS A 33 -4.770 -10.149 -23.505 1.00 24.33 H new ATOM 0 HA CYS A 33 -7.093 -9.603 -21.737 1.00 62.12 H new ATOM 0 HB2 CYS A 33 -6.662 -7.326 -21.674 1.00 45.42 H new ATOM 0 HB3 CYS A 33 -5.169 -8.115 -21.204 1.00 45.42 H new ATOM 544 N GLY A 34 -8.193 -8.338 -23.820 1.00 74.15 N ATOM 545 CA GLY A 34 -8.999 -8.120 -25.010 1.00 64.43 C ATOM 546 C GLY A 34 -9.149 -9.413 -25.815 1.00 21.12 C ATOM 547 O GLY A 34 -9.386 -10.478 -25.247 1.00 21.03 O ATOM 0 H GLY A 34 -8.500 -7.820 -22.996 1.00 74.15 H new ATOM 0 HA2 GLY A 34 -9.983 -7.749 -24.724 1.00 64.43 H new ATOM 0 HA3 GLY A 34 -8.537 -7.352 -25.631 1.00 64.43 H new ATOM 551 N LEU A 35 -9.005 -9.277 -27.125 1.00 21.22 N ATOM 552 CA LEU A 35 -9.122 -10.421 -28.013 1.00 63.22 C ATOM 553 C LEU A 35 -7.809 -11.208 -28.000 1.00 54.42 C ATOM 554 O LEU A 35 -6.891 -10.878 -27.251 1.00 35.13 O ATOM 555 CB LEU A 35 -9.556 -9.973 -29.410 1.00 51.40 C ATOM 556 CG LEU A 35 -10.136 -8.560 -29.511 1.00 34.52 C ATOM 557 CD1 LEU A 35 -10.717 -8.304 -30.903 1.00 25.20 C ATOM 558 CD2 LEU A 35 -11.165 -8.310 -28.406 1.00 71.32 C ATOM 0 H LEU A 35 -8.808 -8.392 -27.593 1.00 21.22 H new ATOM 0 HA LEU A 35 -9.903 -11.096 -27.663 1.00 63.22 H new ATOM 0 HB2 LEU A 35 -8.695 -10.039 -30.075 1.00 51.40 H new ATOM 0 HB3 LEU A 35 -10.300 -10.677 -29.781 1.00 51.40 H new ATOM 0 HG LEU A 35 -9.325 -7.846 -29.364 1.00 34.52 H new ATOM 0 HD11 LEU A 35 -11.122 -7.293 -30.948 1.00 25.20 H new ATOM 0 HD12 LEU A 35 -9.932 -8.413 -31.651 1.00 25.20 H new ATOM 0 HD13 LEU A 35 -11.512 -9.023 -31.103 1.00 25.20 H new ATOM 0 HD21 LEU A 35 -11.562 -7.299 -28.500 1.00 71.32 H new ATOM 0 HD22 LEU A 35 -11.979 -9.029 -28.497 1.00 71.32 H new ATOM 0 HD23 LEU A 35 -10.688 -8.423 -27.432 1.00 71.32 H new ATOM 570 N PRO A 36 -7.761 -12.259 -28.861 1.00 71.40 N ATOM 571 CA PRO A 36 -6.576 -13.095 -28.955 1.00 75.45 C ATOM 572 C PRO A 36 -5.458 -12.378 -29.715 1.00 33.23 C ATOM 573 O PRO A 36 -4.387 -12.944 -29.930 1.00 13.33 O ATOM 574 CB PRO A 36 -7.045 -14.365 -29.648 1.00 10.13 C ATOM 575 CG PRO A 36 -8.356 -14.008 -30.329 1.00 72.41 C ATOM 576 CD PRO A 36 -8.829 -12.679 -29.764 1.00 30.23 C ATOM 0 HA PRO A 36 -6.144 -13.324 -27.981 1.00 75.45 H new ATOM 0 HB2 PRO A 36 -6.308 -14.708 -30.374 1.00 10.13 H new ATOM 0 HB3 PRO A 36 -7.185 -15.173 -28.930 1.00 10.13 H new ATOM 0 HG2 PRO A 36 -8.218 -13.937 -31.408 1.00 72.41 H new ATOM 0 HG3 PRO A 36 -9.101 -14.784 -30.153 1.00 72.41 H new ATOM 0 HD2 PRO A 36 -8.989 -11.947 -30.555 1.00 30.23 H new ATOM 0 HD3 PRO A 36 -9.775 -12.788 -29.234 1.00 30.23 H new ATOM 584 N GLY A 37 -5.746 -11.143 -30.100 1.00 24.53 N ATOM 585 CA GLY A 37 -4.778 -10.343 -30.830 1.00 44.02 C ATOM 586 C GLY A 37 -4.045 -9.380 -29.894 1.00 41.52 C ATOM 587 O GLY A 37 -3.138 -8.665 -30.319 1.00 55.30 O ATOM 0 H GLY A 37 -6.636 -10.677 -29.920 1.00 24.53 H new ATOM 0 HA2 GLY A 37 -4.058 -10.997 -31.322 1.00 44.02 H new ATOM 0 HA3 GLY A 37 -5.284 -9.779 -31.614 1.00 44.02 H new ATOM 591 N THR A 38 -4.465 -9.391 -28.638 1.00 31.42 N ATOM 592 CA THR A 38 -3.860 -8.528 -27.638 1.00 52.42 C ATOM 593 C THR A 38 -3.622 -9.300 -26.339 1.00 73.23 C ATOM 594 O THR A 38 -4.509 -9.384 -25.491 1.00 74.13 O ATOM 595 CB THR A 38 -4.763 -7.305 -27.461 1.00 43.13 C ATOM 596 OG1 THR A 38 -5.259 -7.047 -28.772 1.00 62.20 O ATOM 597 CG2 THR A 38 -3.975 -6.042 -27.106 1.00 72.20 C ATOM 0 H THR A 38 -5.218 -9.984 -28.289 1.00 31.42 H new ATOM 0 HA THR A 38 -2.877 -8.182 -27.957 1.00 52.42 H new ATOM 0 HB THR A 38 -5.498 -7.506 -26.681 1.00 43.13 H new ATOM 0 HG1 THR A 38 -5.855 -6.270 -28.749 1.00 62.20 H new ATOM 0 HG21 THR A 38 -4.663 -5.204 -26.992 1.00 72.20 H new ATOM 0 HG22 THR A 38 -3.437 -6.200 -26.171 1.00 72.20 H new ATOM 0 HG23 THR A 38 -3.264 -5.821 -27.902 1.00 72.20 H new ATOM 605 N LYS A 39 -2.420 -9.845 -26.224 1.00 72.22 N ATOM 606 CA LYS A 39 -2.054 -10.608 -25.043 1.00 33.21 C ATOM 607 C LYS A 39 -0.906 -9.902 -24.320 1.00 43.42 C ATOM 608 O LYS A 39 -0.295 -8.984 -24.866 1.00 51.12 O ATOM 609 CB LYS A 39 -1.746 -12.059 -25.417 1.00 24.32 C ATOM 610 CG LYS A 39 -0.691 -12.128 -26.524 1.00 34.05 C ATOM 611 CD LYS A 39 0.721 -12.038 -25.942 1.00 31.32 C ATOM 612 CE LYS A 39 1.015 -13.231 -25.030 1.00 62.54 C ATOM 613 NZ LYS A 39 0.760 -12.878 -23.616 1.00 22.41 N ATOM 0 H LYS A 39 -1.687 -9.773 -26.930 1.00 72.22 H new ATOM 0 HA LYS A 39 -2.890 -10.654 -24.345 1.00 33.21 H new ATOM 0 HB2 LYS A 39 -1.392 -12.598 -24.538 1.00 24.32 H new ATOM 0 HB3 LYS A 39 -2.659 -12.555 -25.748 1.00 24.32 H new ATOM 0 HG2 LYS A 39 -0.801 -13.060 -27.078 1.00 34.05 H new ATOM 0 HG3 LYS A 39 -0.849 -11.315 -27.233 1.00 34.05 H new ATOM 0 HD2 LYS A 39 1.450 -12.006 -26.751 1.00 31.32 H new ATOM 0 HD3 LYS A 39 0.828 -11.111 -25.379 1.00 31.32 H new ATOM 0 HE2 LYS A 39 0.392 -14.078 -25.317 1.00 62.54 H new ATOM 0 HE3 LYS A 39 2.052 -13.542 -25.152 1.00 62.54 H new ATOM 0 HZ1 LYS A 39 0.290 -13.674 -23.139 1.00 22.41 H new ATOM 0 HZ2 LYS A 39 1.662 -12.673 -23.141 1.00 22.41 H new ATOM 0 HZ3 LYS A 39 0.148 -12.038 -23.573 1.00 22.41 H new ATOM 627 N CYS A 40 -0.646 -10.356 -23.103 1.00 70.11 N ATOM 628 CA CYS A 40 0.419 -9.779 -22.300 1.00 74.00 C ATOM 629 C CYS A 40 1.739 -10.431 -22.713 1.00 45.04 C ATOM 630 O CYS A 40 2.190 -11.385 -22.080 1.00 52.35 O ATOM 631 CB CYS A 40 0.147 -9.938 -20.803 1.00 24.33 C ATOM 632 SG CYS A 40 1.030 -8.745 -19.732 1.00 35.02 S ATOM 0 H CYS A 40 -1.155 -11.117 -22.653 1.00 70.11 H new ATOM 0 HA CYS A 40 0.474 -8.705 -22.480 1.00 74.00 H new ATOM 0 HB2 CYS A 40 -0.924 -9.837 -20.630 1.00 24.33 H new ATOM 0 HB3 CYS A 40 0.424 -10.949 -20.503 1.00 24.33 H new ATOM 637 N CYS A 41 2.323 -9.890 -23.773 1.00 23.52 N ATOM 638 CA CYS A 41 3.584 -10.408 -24.278 1.00 53.20 C ATOM 639 C CYS A 41 4.685 -9.399 -23.945 1.00 72.04 C ATOM 640 O CYS A 41 4.401 -8.237 -23.658 1.00 61.14 O ATOM 641 CB CYS A 41 3.514 -10.702 -25.778 1.00 34.42 C ATOM 642 SG CYS A 41 2.406 -9.597 -26.726 1.00 41.32 S ATOM 0 H CYS A 41 1.947 -9.099 -24.296 1.00 23.52 H new ATOM 0 HA CYS A 41 3.808 -11.361 -23.798 1.00 53.20 H new ATOM 0 HB2 CYS A 41 4.519 -10.631 -26.195 1.00 34.42 H new ATOM 0 HB3 CYS A 41 3.183 -11.731 -25.917 1.00 34.42 H new ATOM 647 N LYS A 42 5.918 -9.880 -23.995 1.00 44.12 N ATOM 648 CA LYS A 42 7.064 -9.035 -23.703 1.00 15.43 C ATOM 649 C LYS A 42 7.173 -7.944 -24.770 1.00 15.20 C ATOM 650 O LYS A 42 6.413 -7.939 -25.738 1.00 23.12 O ATOM 651 CB LYS A 42 8.330 -9.880 -23.556 1.00 61.30 C ATOM 652 CG LYS A 42 8.615 -10.190 -22.085 1.00 63.00 C ATOM 653 CD LYS A 42 9.832 -11.106 -21.944 1.00 24.34 C ATOM 654 CE LYS A 42 10.899 -10.468 -21.052 1.00 12.43 C ATOM 655 NZ LYS A 42 11.556 -9.343 -21.754 1.00 11.40 N ATOM 0 H LYS A 42 6.149 -10.844 -24.233 1.00 44.12 H new ATOM 0 HA LYS A 42 6.932 -8.532 -22.745 1.00 15.43 H new ATOM 0 HB2 LYS A 42 8.217 -10.811 -24.112 1.00 61.30 H new ATOM 0 HB3 LYS A 42 9.178 -9.350 -23.990 1.00 61.30 H new ATOM 0 HG2 LYS A 42 8.789 -9.262 -21.541 1.00 63.00 H new ATOM 0 HG3 LYS A 42 7.744 -10.665 -21.634 1.00 63.00 H new ATOM 0 HD2 LYS A 42 9.524 -12.063 -21.522 1.00 24.34 H new ATOM 0 HD3 LYS A 42 10.252 -11.313 -22.928 1.00 24.34 H new ATOM 0 HE2 LYS A 42 10.444 -10.112 -20.128 1.00 12.43 H new ATOM 0 HE3 LYS A 42 11.643 -11.215 -20.773 1.00 12.43 H new ATOM 0 HZ1 LYS A 42 12.277 -8.921 -21.135 1.00 11.40 H new ATOM 0 HZ2 LYS A 42 12.007 -9.692 -22.623 1.00 11.40 H new ATOM 0 HZ3 LYS A 42 10.846 -8.624 -21.998 1.00 11.40 H new