USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 hydrogens (3 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -46:sc= 1.16 USER MOD Single : A 11 THR OG1 : rot -87:sc= 0.904 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 73:sc= 1 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.289 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 27.508 -13.717 -20.648 1.00 0.00 C HETATM 2 O ACE A 1 28.479 -14.318 -20.228 1.00 0.00 O HETATM 3 CH3 ACE A 1 26.290 -14.466 -21.193 1.00 0.00 C HETATM 0 H1 ACE A 1 25.410 -14.206 -20.605 1.00 0.00 H new HETATM 0 H2 ACE A 1 26.127 -14.186 -22.234 1.00 0.00 H new HETATM 0 H3 ACE A 1 26.465 -15.540 -21.129 1.00 0.00 H new ATOM 7 N ARG A 2 27.460 -12.410 -20.651 1.00 0.00 N ATOM 8 CA ARG A 2 28.609 -11.611 -20.135 1.00 0.00 C ATOM 9 C ARG A 2 28.651 -11.698 -18.608 1.00 0.00 C ATOM 10 O ARG A 2 29.653 -12.065 -18.026 1.00 0.00 O ATOM 11 CB ARG A 2 28.440 -10.148 -20.558 1.00 0.00 C ATOM 12 CG ARG A 2 29.193 -9.892 -21.873 1.00 0.00 C ATOM 13 CD ARG A 2 28.242 -9.280 -22.905 1.00 0.00 C ATOM 14 NE ARG A 2 27.706 -10.357 -23.785 1.00 0.00 N ATOM 15 CZ ARG A 2 26.720 -10.104 -24.601 1.00 0.00 C ATOM 16 NH1 ARG A 2 25.494 -10.075 -24.153 1.00 0.00 N ATOM 17 NH2 ARG A 2 26.959 -9.882 -25.865 1.00 0.00 N ATOM 0 H ARG A 2 26.671 -11.860 -20.990 1.00 0.00 H new ATOM 0 HA ARG A 2 29.539 -12.006 -20.545 1.00 0.00 H new ATOM 0 HB2 ARG A 2 27.382 -9.917 -20.684 1.00 0.00 H new ATOM 0 HB3 ARG A 2 28.820 -9.489 -19.777 1.00 0.00 H new ATOM 0 HG2 ARG A 2 30.034 -9.221 -21.697 1.00 0.00 H new ATOM 0 HG3 ARG A 2 29.606 -10.826 -22.254 1.00 0.00 H new ATOM 0 HD2 ARG A 2 27.423 -8.766 -22.401 1.00 0.00 H new ATOM 0 HD3 ARG A 2 28.767 -8.535 -23.503 1.00 0.00 H new ATOM 0 HE ARG A 2 28.110 -11.293 -23.749 1.00 0.00 H new ATOM 0 HH11 ARG A 2 25.308 -10.250 -23.166 1.00 0.00 H new ATOM 0 HH12 ARG A 2 24.723 -9.877 -24.790 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.917 -9.906 -26.215 1.00 0.00 H new ATOM 0 HH22 ARG A 2 26.188 -9.684 -26.503 1.00 0.00 H new ATOM 31 N TYR A 3 27.565 -11.362 -17.963 1.00 0.00 N ATOM 32 CA TYR A 3 27.518 -11.415 -16.472 1.00 0.00 C ATOM 33 C TYR A 3 26.055 -11.548 -16.013 1.00 0.00 C ATOM 34 O TYR A 3 25.432 -10.567 -15.658 1.00 0.00 O ATOM 35 CB TYR A 3 28.121 -10.130 -15.896 1.00 0.00 C ATOM 36 CG TYR A 3 29.619 -10.145 -16.083 1.00 0.00 C ATOM 37 CD1 TYR A 3 30.415 -10.978 -15.287 1.00 0.00 C ATOM 38 CD2 TYR A 3 30.212 -9.328 -17.052 1.00 0.00 C ATOM 39 CE1 TYR A 3 31.803 -10.993 -15.461 1.00 0.00 C ATOM 40 CE2 TYR A 3 31.601 -9.343 -17.226 1.00 0.00 C ATOM 41 CZ TYR A 3 32.396 -10.176 -16.430 1.00 0.00 C ATOM 42 OH TYR A 3 33.766 -10.191 -16.602 1.00 0.00 O ATOM 0 H TYR A 3 26.702 -11.051 -18.409 1.00 0.00 H new ATOM 0 HA TYR A 3 28.090 -12.273 -16.119 1.00 0.00 H new ATOM 0 HB2 TYR A 3 27.691 -9.260 -16.393 1.00 0.00 H new ATOM 0 HB3 TYR A 3 27.877 -10.045 -14.837 1.00 0.00 H new ATOM 0 HD1 TYR A 3 29.957 -11.609 -14.539 1.00 0.00 H new ATOM 0 HD2 TYR A 3 29.598 -8.686 -17.666 1.00 0.00 H new ATOM 0 HE1 TYR A 3 32.417 -11.635 -14.847 1.00 0.00 H new ATOM 0 HE2 TYR A 3 32.059 -8.712 -17.974 1.00 0.00 H new ATOM 0 HH TYR A 3 34.013 -9.567 -17.316 1.00 0.00 H new ATOM 52 N PRO A 4 25.546 -12.762 -16.032 1.00 0.00 N ATOM 53 CA PRO A 4 24.142 -13.120 -15.631 1.00 0.00 C ATOM 54 C PRO A 4 24.021 -13.211 -14.102 1.00 0.00 C ATOM 55 O PRO A 4 23.590 -12.274 -13.455 1.00 0.00 O ATOM 56 CB PRO A 4 23.852 -14.464 -16.285 1.00 0.00 C ATOM 57 CG PRO A 4 25.190 -15.125 -16.526 1.00 0.00 C ATOM 58 CD PRO A 4 26.251 -14.030 -16.454 1.00 0.00 C ATOM 0 HA PRO A 4 23.427 -12.363 -15.953 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.225 -15.081 -15.641 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.312 -14.330 -17.222 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.380 -15.895 -15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.208 -15.615 -17.499 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.031 -14.294 -15.740 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.736 -13.898 -17.421 1.00 0.00 H new ATOM 66 N TYR A 5 24.393 -14.325 -13.521 1.00 0.00 N ATOM 67 CA TYR A 5 24.295 -14.471 -12.038 1.00 0.00 C ATOM 68 C TYR A 5 25.381 -13.628 -11.362 1.00 0.00 C ATOM 69 O TYR A 5 25.241 -13.222 -10.225 1.00 0.00 O ATOM 70 CB TYR A 5 24.479 -15.942 -11.659 1.00 0.00 C ATOM 71 CG TYR A 5 23.652 -16.256 -10.435 1.00 0.00 C ATOM 72 CD1 TYR A 5 22.278 -16.495 -10.561 1.00 0.00 C ATOM 73 CD2 TYR A 5 24.258 -16.308 -9.174 1.00 0.00 C ATOM 74 CE1 TYR A 5 21.510 -16.785 -9.427 1.00 0.00 C ATOM 75 CE2 TYR A 5 23.490 -16.598 -8.039 1.00 0.00 C ATOM 76 CZ TYR A 5 22.116 -16.837 -8.166 1.00 0.00 C ATOM 77 OH TYR A 5 21.359 -17.121 -7.046 1.00 0.00 O ATOM 0 H TYR A 5 24.761 -15.140 -14.012 1.00 0.00 H new ATOM 0 HA TYR A 5 23.315 -14.128 -11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 5 24.178 -16.582 -12.488 1.00 0.00 H new ATOM 0 HB3 TYR A 5 25.531 -16.149 -11.463 1.00 0.00 H new ATOM 0 HD1 TYR A 5 21.810 -16.456 -11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 5 25.318 -16.124 -9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 5 20.450 -16.969 -9.525 1.00 0.00 H new ATOM 0 HE2 TYR A 5 23.957 -16.637 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 5 21.935 -17.119 -6.253 1.00 0.00 H new ATOM 87 N TYR A 6 26.463 -13.366 -12.052 1.00 0.00 N ATOM 88 CA TYR A 6 27.564 -12.551 -11.458 1.00 0.00 C ATOM 89 C TYR A 6 27.053 -11.144 -11.132 1.00 0.00 C ATOM 90 O TYR A 6 27.549 -10.490 -10.234 1.00 0.00 O ATOM 91 CB TYR A 6 28.712 -12.452 -12.466 1.00 0.00 C ATOM 92 CG TYR A 6 29.894 -11.761 -11.829 1.00 0.00 C ATOM 93 CD1 TYR A 6 29.902 -10.367 -11.691 1.00 0.00 C ATOM 94 CD2 TYR A 6 30.984 -12.515 -11.379 1.00 0.00 C ATOM 95 CE1 TYR A 6 31.000 -9.729 -11.101 1.00 0.00 C ATOM 96 CE2 TYR A 6 32.081 -11.877 -10.790 1.00 0.00 C ATOM 97 CZ TYR A 6 32.089 -10.484 -10.651 1.00 0.00 C ATOM 98 OH TYR A 6 33.170 -9.856 -10.069 1.00 0.00 O ATOM 0 H TYR A 6 26.631 -13.684 -13.007 1.00 0.00 H new ATOM 0 HA TYR A 6 27.913 -13.026 -10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 6 28.999 -13.448 -12.803 1.00 0.00 H new ATOM 0 HB3 TYR A 6 28.387 -11.899 -13.347 1.00 0.00 H new ATOM 0 HD1 TYR A 6 29.062 -9.785 -12.039 1.00 0.00 H new ATOM 0 HD2 TYR A 6 30.978 -13.590 -11.486 1.00 0.00 H new ATOM 0 HE1 TYR A 6 31.006 -8.654 -10.993 1.00 0.00 H new ATOM 0 HE2 TYR A 6 32.922 -12.459 -10.443 1.00 0.00 H new ATOM 0 HH TYR A 6 33.838 -10.526 -9.812 1.00 0.00 H new ATOM 108 N LEU A 7 26.075 -10.672 -11.863 1.00 0.00 N ATOM 109 CA LEU A 7 25.537 -9.301 -11.610 1.00 0.00 C ATOM 110 C LEU A 7 24.834 -9.257 -10.250 1.00 0.00 C ATOM 111 O LEU A 7 24.779 -8.224 -9.607 1.00 0.00 O ATOM 112 CB LEU A 7 24.539 -8.936 -12.711 1.00 0.00 C ATOM 113 CG LEU A 7 24.621 -7.435 -12.998 1.00 0.00 C ATOM 114 CD1 LEU A 7 23.758 -7.089 -14.221 1.00 0.00 C ATOM 115 CD2 LEU A 7 24.120 -6.661 -11.775 1.00 0.00 C ATOM 0 H LEU A 7 25.625 -11.178 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 7 26.361 -8.588 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.757 -9.502 -13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 7 23.528 -9.203 -12.403 1.00 0.00 H new ATOM 0 HG LEU A 7 25.655 -7.160 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.821 -6.019 -14.420 1.00 0.00 H new ATOM 0 HD12 LEU A 7 24.119 -7.641 -15.089 1.00 0.00 H new ATOM 0 HD13 LEU A 7 22.721 -7.361 -14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.176 -5.591 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 7 23.086 -6.938 -11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.741 -6.903 -10.912 1.00 0.00 H new ATOM 127 N SER A 8 24.293 -10.364 -9.813 1.00 0.00 N ATOM 128 CA SER A 8 23.583 -10.393 -8.499 1.00 0.00 C ATOM 129 C SER A 8 24.576 -10.172 -7.351 1.00 0.00 C ATOM 130 O SER A 8 24.202 -9.726 -6.281 1.00 0.00 O ATOM 131 CB SER A 8 22.900 -11.749 -8.323 1.00 0.00 C ATOM 132 OG SER A 8 23.891 -12.760 -8.192 1.00 0.00 O ATOM 0 H SER A 8 24.312 -11.254 -10.312 1.00 0.00 H new ATOM 0 HA SER A 8 22.839 -9.596 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 8 22.259 -11.735 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.259 -11.960 -9.179 1.00 0.00 H new ATOM 0 HG SER A 8 24.577 -12.637 -8.881 1.00 0.00 H new ATOM 138 N ASP A 9 25.831 -10.486 -7.557 1.00 0.00 N ATOM 139 CA ASP A 9 26.840 -10.302 -6.469 1.00 0.00 C ATOM 140 C ASP A 9 27.170 -8.816 -6.300 1.00 0.00 C ATOM 141 O ASP A 9 27.281 -8.322 -5.193 1.00 0.00 O ATOM 142 CB ASP A 9 28.118 -11.067 -6.821 1.00 0.00 C ATOM 143 CG ASP A 9 28.760 -11.604 -5.539 1.00 0.00 C ATOM 144 OD1 ASP A 9 28.088 -12.325 -4.821 1.00 0.00 O ATOM 145 OD2 ASP A 9 29.912 -11.283 -5.297 1.00 0.00 O ATOM 0 H ASP A 9 26.200 -10.861 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 9 26.426 -10.685 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.887 -11.890 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 9 28.815 -10.411 -7.343 1.00 0.00 H new ATOM 150 N ILE A 10 27.335 -8.104 -7.385 1.00 0.00 N ATOM 151 CA ILE A 10 27.669 -6.651 -7.291 1.00 0.00 C ATOM 152 C ILE A 10 26.477 -5.880 -6.715 1.00 0.00 C ATOM 153 O ILE A 10 26.631 -5.064 -5.826 1.00 0.00 O ATOM 154 CB ILE A 10 28.010 -6.117 -8.686 1.00 0.00 C ATOM 155 CG1 ILE A 10 29.125 -6.971 -9.317 1.00 0.00 C ATOM 156 CG2 ILE A 10 28.475 -4.662 -8.582 1.00 0.00 C ATOM 157 CD1 ILE A 10 30.374 -6.963 -8.426 1.00 0.00 C ATOM 0 H ILE A 10 27.253 -8.467 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 10 28.527 -6.518 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 10 27.121 -6.169 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 10 28.775 -7.994 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.373 -6.584 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 10 28.717 -4.285 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.680 -4.056 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.360 -4.607 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 10 31.153 -7.571 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 10 30.733 -5.940 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 10 30.125 -7.372 -7.447 1.00 0.00 H new ATOM 169 N THR A 11 25.293 -6.134 -7.211 1.00 0.00 N ATOM 170 CA THR A 11 24.088 -5.420 -6.691 1.00 0.00 C ATOM 171 C THR A 11 23.904 -5.750 -5.207 1.00 0.00 C ATOM 172 O THR A 11 23.491 -4.914 -4.426 1.00 0.00 O ATOM 173 CB THR A 11 22.853 -5.867 -7.478 1.00 0.00 C ATOM 174 OG1 THR A 11 23.009 -7.223 -7.877 1.00 0.00 O ATOM 175 CG2 THR A 11 22.687 -4.986 -8.718 1.00 0.00 C ATOM 0 H THR A 11 25.109 -6.807 -7.955 1.00 0.00 H new ATOM 0 HA THR A 11 24.219 -4.344 -6.808 1.00 0.00 H new ATOM 0 HB THR A 11 21.969 -5.773 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 11 23.493 -7.260 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.807 -5.306 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.565 -3.947 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.571 -5.077 -9.350 1.00 0.00 H new ATOM 183 N ASP A 12 24.218 -6.960 -4.816 1.00 0.00 N ATOM 184 CA ASP A 12 24.074 -7.349 -3.383 1.00 0.00 C ATOM 185 C ASP A 12 25.075 -6.553 -2.545 1.00 0.00 C ATOM 186 O ASP A 12 24.800 -6.179 -1.420 1.00 0.00 O ATOM 187 CB ASP A 12 24.353 -8.847 -3.233 1.00 0.00 C ATOM 188 CG ASP A 12 23.046 -9.628 -3.379 1.00 0.00 C ATOM 189 OD1 ASP A 12 22.056 -9.201 -2.808 1.00 0.00 O ATOM 190 OD2 ASP A 12 23.057 -10.641 -4.059 1.00 0.00 O ATOM 0 H ASP A 12 24.568 -7.695 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 12 23.061 -7.135 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.069 -9.172 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.802 -9.048 -2.260 1.00 0.00 H new ATOM 195 N VAL A 13 26.232 -6.288 -3.094 1.00 0.00 N ATOM 196 CA VAL A 13 27.263 -5.509 -2.349 1.00 0.00 C ATOM 197 C VAL A 13 26.754 -4.079 -2.135 1.00 0.00 C ATOM 198 O VAL A 13 26.999 -3.471 -1.111 1.00 0.00 O ATOM 199 CB VAL A 13 28.564 -5.489 -3.158 1.00 0.00 C ATOM 200 CG1 VAL A 13 29.640 -4.696 -2.407 1.00 0.00 C ATOM 201 CG2 VAL A 13 29.055 -6.926 -3.372 1.00 0.00 C ATOM 0 H VAL A 13 26.508 -6.580 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 13 27.453 -5.971 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 13 28.375 -5.014 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.560 -4.688 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.298 -3.672 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.828 -5.163 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.981 -6.912 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.236 -7.397 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 13 28.298 -7.492 -3.915 1.00 0.00 H new ATOM 211 N ILE A 14 26.046 -3.545 -3.097 1.00 0.00 N ATOM 212 CA ILE A 14 25.511 -2.157 -2.965 1.00 0.00 C ATOM 213 C ILE A 14 24.361 -2.139 -1.950 1.00 0.00 C ATOM 214 O ILE A 14 24.069 -1.120 -1.352 1.00 0.00 O ATOM 215 CB ILE A 14 25.005 -1.679 -4.335 1.00 0.00 C ATOM 216 CG1 ILE A 14 26.144 -1.758 -5.366 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.503 -0.232 -4.234 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.327 -0.881 -4.930 1.00 0.00 C ATOM 0 H ILE A 14 25.814 -4.014 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 14 26.301 -1.492 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 14 24.183 -2.321 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.471 -2.792 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.783 -1.432 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.146 0.098 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.688 -0.179 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.318 0.414 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 14 28.123 -0.949 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.999 0.155 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.699 -1.225 -3.965 1.00 0.00 H new ATOM 230 N PHE A 15 23.705 -3.256 -1.756 1.00 0.00 N ATOM 231 CA PHE A 15 22.571 -3.310 -0.787 1.00 0.00 C ATOM 232 C PHE A 15 23.090 -3.110 0.640 1.00 0.00 C ATOM 233 O PHE A 15 22.613 -2.261 1.369 1.00 0.00 O ATOM 234 CB PHE A 15 21.892 -4.676 -0.891 1.00 0.00 C ATOM 235 CG PHE A 15 20.542 -4.625 -0.217 1.00 0.00 C ATOM 236 CD1 PHE A 15 19.463 -4.001 -0.854 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.369 -5.206 1.045 1.00 0.00 C ATOM 238 CE1 PHE A 15 18.212 -3.956 -0.229 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.118 -5.161 1.670 1.00 0.00 C ATOM 240 CZ PHE A 15 18.039 -4.536 1.034 1.00 0.00 C ATOM 0 H PHE A 15 23.908 -4.136 -2.230 1.00 0.00 H new ATOM 0 HA PHE A 15 21.858 -2.519 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.776 -4.957 -1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.514 -5.439 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 15 19.596 -3.554 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.201 -5.689 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 15 17.380 -3.474 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.985 -5.609 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 15 17.074 -4.501 1.517 1.00 0.00 H new ATOM 250 N ILE A 16 24.057 -3.894 1.044 1.00 0.00 N ATOM 251 CA ILE A 16 24.606 -3.768 2.428 1.00 0.00 C ATOM 252 C ILE A 16 25.411 -2.469 2.563 1.00 0.00 C ATOM 253 O ILE A 16 25.587 -1.957 3.653 1.00 0.00 O ATOM 254 CB ILE A 16 25.513 -4.966 2.722 1.00 0.00 C ATOM 255 CG1 ILE A 16 24.733 -6.263 2.488 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.980 -4.915 4.178 1.00 0.00 C ATOM 257 CD1 ILE A 16 25.715 -7.414 2.272 1.00 0.00 C ATOM 0 H ILE A 16 24.491 -4.619 0.473 1.00 0.00 H new ATOM 0 HA ILE A 16 23.781 -3.746 3.140 1.00 0.00 H new ATOM 0 HB ILE A 16 26.380 -4.932 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.091 -6.474 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 16 24.083 -6.158 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.625 -5.769 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.534 -3.992 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.114 -4.947 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 16 25.161 -8.338 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.338 -7.202 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 16 26.347 -7.524 3.153 1.00 0.00 H new ATOM 269 N TYR A 17 25.902 -1.937 1.472 1.00 0.00 N ATOM 270 CA TYR A 17 26.696 -0.675 1.545 1.00 0.00 C ATOM 271 C TYR A 17 25.781 0.483 1.964 1.00 0.00 C ATOM 272 O TYR A 17 25.952 1.070 3.015 1.00 0.00 O ATOM 273 CB TYR A 17 27.312 -0.384 0.166 1.00 0.00 C ATOM 274 CG TYR A 17 28.817 -0.301 0.286 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.567 -1.464 0.494 1.00 0.00 C ATOM 276 CD2 TYR A 17 29.459 0.940 0.193 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.959 -1.387 0.610 1.00 0.00 C ATOM 278 CE2 TYR A 17 30.852 1.016 0.309 1.00 0.00 C ATOM 279 CZ TYR A 17 31.602 -0.147 0.518 1.00 0.00 C ATOM 280 OH TYR A 17 32.975 -0.072 0.634 1.00 0.00 O ATOM 0 H TYR A 17 25.787 -2.323 0.535 1.00 0.00 H new ATOM 0 HA TYR A 17 27.493 -0.783 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.037 -1.169 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.917 0.552 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.071 -2.421 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.880 1.837 0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.538 -2.285 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.348 1.973 0.237 1.00 0.00 H new ATOM 0 HH TYR A 17 33.260 0.861 0.546 1.00 0.00 H new ATOM 290 N PHE A 18 24.818 0.813 1.144 1.00 0.00 N ATOM 291 CA PHE A 18 23.889 1.935 1.475 1.00 0.00 C ATOM 292 C PHE A 18 23.136 1.640 2.781 1.00 0.00 C ATOM 293 O PHE A 18 22.647 2.541 3.434 1.00 0.00 O ATOM 294 CB PHE A 18 22.883 2.104 0.329 1.00 0.00 C ATOM 295 CG PHE A 18 23.267 3.297 -0.516 1.00 0.00 C ATOM 296 CD1 PHE A 18 23.297 4.576 0.052 1.00 0.00 C ATOM 297 CD2 PHE A 18 23.597 3.122 -1.865 1.00 0.00 C ATOM 298 CE1 PHE A 18 23.657 5.680 -0.729 1.00 0.00 C ATOM 299 CE2 PHE A 18 23.958 4.226 -2.647 1.00 0.00 C ATOM 300 CZ PHE A 18 23.988 5.506 -2.078 1.00 0.00 C ATOM 0 H PHE A 18 24.634 0.351 0.254 1.00 0.00 H new ATOM 0 HA PHE A 18 24.465 2.851 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 18 22.862 1.203 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 18 21.879 2.239 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 18 23.042 4.711 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 18 23.573 2.135 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.679 6.667 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 18 24.213 4.091 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.266 6.358 -2.680 1.00 0.00 H new ATOM 310 N ALA A 19 23.029 0.391 3.159 1.00 0.00 N ATOM 311 CA ALA A 19 22.300 0.039 4.416 1.00 0.00 C ATOM 312 C ALA A 19 23.089 0.526 5.636 1.00 0.00 C ATOM 313 O ALA A 19 22.605 1.308 6.428 1.00 0.00 O ATOM 314 CB ALA A 19 22.137 -1.479 4.495 1.00 0.00 C ATOM 0 H ALA A 19 23.417 -0.403 2.649 1.00 0.00 H new ATOM 0 HA ALA A 19 21.322 0.519 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.606 -1.741 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.569 -1.829 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 19 23.120 -1.951 4.498 1.00 0.00 H new ATOM 320 N ALA A 20 24.298 0.059 5.794 1.00 0.00 N ATOM 321 CA ALA A 20 25.137 0.475 6.962 1.00 0.00 C ATOM 322 C ALA A 20 25.309 1.993 6.976 1.00 0.00 C ATOM 323 O ALA A 20 25.232 2.635 8.005 1.00 0.00 O ATOM 324 CB ALA A 20 26.514 -0.162 6.824 1.00 0.00 C ATOM 0 H ALA A 20 24.748 -0.600 5.158 1.00 0.00 H new ATOM 0 HA ALA A 20 24.649 0.157 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.137 0.132 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.413 -1.247 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 26.978 0.173 5.896 1.00 0.00 H new ATOM 330 N LEU A 21 25.581 2.550 5.836 1.00 0.00 N ATOM 331 CA LEU A 21 25.803 4.023 5.731 1.00 0.00 C ATOM 332 C LEU A 21 24.492 4.804 5.920 1.00 0.00 C ATOM 333 O LEU A 21 24.512 5.969 6.263 1.00 0.00 O ATOM 334 CB LEU A 21 26.384 4.337 4.352 1.00 0.00 C ATOM 335 CG LEU A 21 27.821 3.818 4.277 1.00 0.00 C ATOM 336 CD1 LEU A 21 28.144 3.407 2.840 1.00 0.00 C ATOM 337 CD2 LEU A 21 28.785 4.921 4.718 1.00 0.00 C ATOM 0 H LEU A 21 25.661 2.043 4.954 1.00 0.00 H new ATOM 0 HA LEU A 21 26.493 4.326 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 21 25.777 3.873 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.364 5.412 4.173 1.00 0.00 H new ATOM 0 HG LEU A 21 27.928 2.955 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 29.168 3.038 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 27.458 2.621 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 28.036 4.269 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 29.809 4.552 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 28.676 5.784 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 21 28.558 5.214 5.743 1.00 0.00 H new ATOM 349 N SER A 22 23.355 4.189 5.696 1.00 0.00 N ATOM 350 CA SER A 22 22.048 4.920 5.859 1.00 0.00 C ATOM 351 C SER A 22 21.968 5.615 7.235 1.00 0.00 C ATOM 352 O SER A 22 21.809 6.818 7.295 1.00 0.00 O ATOM 353 CB SER A 22 20.884 3.938 5.719 1.00 0.00 C ATOM 354 OG SER A 22 20.435 3.931 4.371 1.00 0.00 O ATOM 0 H SER A 22 23.271 3.214 5.408 1.00 0.00 H new ATOM 0 HA SER A 22 21.987 5.681 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.200 2.937 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.069 4.225 6.384 1.00 0.00 H new ATOM 0 HG SER A 22 21.091 3.467 3.810 1.00 0.00 H new ATOM 360 N PRO A 23 22.077 4.851 8.303 1.00 0.00 N ATOM 361 CA PRO A 23 22.020 5.346 9.732 1.00 0.00 C ATOM 362 C PRO A 23 23.224 6.223 10.058 1.00 0.00 C ATOM 363 O PRO A 23 23.090 7.368 10.443 1.00 0.00 O ATOM 364 CB PRO A 23 22.021 4.103 10.610 1.00 0.00 C ATOM 365 CG PRO A 23 22.618 2.998 9.779 1.00 0.00 C ATOM 366 CD PRO A 23 22.286 3.350 8.334 1.00 0.00 C ATOM 0 HA PRO A 23 21.132 5.956 9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 23 22.605 4.267 11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 23 21.009 3.849 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 23 23.696 2.932 9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 23 22.198 2.030 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 23 23.095 3.056 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 23 21.391 2.825 8.001 1.00 0.00 H new ATOM 374 N ALA A 24 24.396 5.678 9.924 1.00 0.00 N ATOM 375 CA ALA A 24 25.650 6.445 10.235 1.00 0.00 C ATOM 376 C ALA A 24 25.643 7.829 9.562 1.00 0.00 C ATOM 377 O ALA A 24 26.266 8.758 10.043 1.00 0.00 O ATOM 378 CB ALA A 24 26.859 5.653 9.737 1.00 0.00 C ATOM 0 H ALA A 24 24.550 4.720 9.608 1.00 0.00 H new ATOM 0 HA ALA A 24 25.704 6.589 11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.772 6.205 9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 24 26.890 4.684 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.778 5.505 8.660 1.00 0.00 H new ATOM 384 N ILE A 25 24.955 7.971 8.457 1.00 0.00 N ATOM 385 CA ILE A 25 24.919 9.293 7.757 1.00 0.00 C ATOM 386 C ILE A 25 23.746 10.134 8.281 1.00 0.00 C ATOM 387 O ILE A 25 23.821 11.347 8.331 1.00 0.00 O ATOM 388 CB ILE A 25 24.772 9.072 6.241 1.00 0.00 C ATOM 389 CG1 ILE A 25 25.981 8.290 5.723 1.00 0.00 C ATOM 390 CG2 ILE A 25 24.708 10.424 5.515 1.00 0.00 C ATOM 391 CD1 ILE A 25 25.691 7.794 4.305 1.00 0.00 C ATOM 0 H ILE A 25 24.417 7.229 8.009 1.00 0.00 H new ATOM 0 HA ILE A 25 25.849 9.827 7.953 1.00 0.00 H new ATOM 0 HB ILE A 25 23.855 8.515 6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 26.867 8.925 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 25 26.192 7.446 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 25 24.604 10.257 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 25 23.852 10.992 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 25 25.623 10.984 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 26.550 7.236 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 25 24.815 7.145 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 25 25.501 8.647 3.653 1.00 0.00 H new ATOM 403 N THR A 26 22.662 9.503 8.659 1.00 0.00 N ATOM 404 CA THR A 26 21.477 10.266 9.166 1.00 0.00 C ATOM 405 C THR A 26 21.875 11.144 10.360 1.00 0.00 C ATOM 406 O THR A 26 21.572 12.322 10.396 1.00 0.00 O ATOM 407 CB THR A 26 20.386 9.286 9.599 1.00 0.00 C ATOM 408 OG1 THR A 26 20.274 8.251 8.632 1.00 0.00 O ATOM 409 CG2 THR A 26 19.053 10.027 9.717 1.00 0.00 C ATOM 0 H THR A 26 22.545 8.490 8.639 1.00 0.00 H new ATOM 0 HA THR A 26 21.104 10.906 8.366 1.00 0.00 H new ATOM 0 HB THR A 26 20.644 8.853 10.566 1.00 0.00 H new ATOM 0 HG1 THR A 26 21.069 7.680 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.275 9.329 10.026 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.143 10.821 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 26 18.790 10.459 8.752 1.00 0.00 H new ATOM 417 N PHE A 27 22.541 10.579 11.337 1.00 0.00 N ATOM 418 CA PHE A 27 22.949 11.380 12.529 1.00 0.00 C ATOM 419 C PHE A 27 24.287 12.077 12.255 1.00 0.00 C ATOM 420 O PHE A 27 24.420 13.272 12.441 1.00 0.00 O ATOM 421 CB PHE A 27 23.089 10.460 13.747 1.00 0.00 C ATOM 422 CG PHE A 27 23.363 11.293 14.977 1.00 0.00 C ATOM 423 CD1 PHE A 27 22.449 12.276 15.375 1.00 0.00 C ATOM 424 CD2 PHE A 27 24.534 11.086 15.715 1.00 0.00 C ATOM 425 CE1 PHE A 27 22.706 13.052 16.511 1.00 0.00 C ATOM 426 CE2 PHE A 27 24.792 11.863 16.851 1.00 0.00 C ATOM 427 CZ PHE A 27 23.878 12.846 17.249 1.00 0.00 C ATOM 0 H PHE A 27 22.819 9.598 11.359 1.00 0.00 H new ATOM 0 HA PHE A 27 22.187 12.133 12.730 1.00 0.00 H new ATOM 0 HB2 PHE A 27 22.177 9.879 13.884 1.00 0.00 H new ATOM 0 HB3 PHE A 27 23.900 9.749 13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 27 21.545 12.436 14.805 1.00 0.00 H new ATOM 0 HD2 PHE A 27 25.239 10.327 15.408 1.00 0.00 H new ATOM 0 HE1 PHE A 27 22.000 13.810 16.818 1.00 0.00 H new ATOM 0 HE2 PHE A 27 25.696 11.704 17.420 1.00 0.00 H new ATOM 0 HZ PHE A 27 24.077 13.445 18.125 1.00 0.00 H new ATOM 437 N GLY A 28 25.277 11.338 11.824 1.00 0.00 N ATOM 438 CA GLY A 28 26.608 11.947 11.545 1.00 0.00 C ATOM 439 C GLY A 28 27.645 11.361 12.504 1.00 0.00 C ATOM 440 O GLY A 28 27.748 10.158 12.657 1.00 0.00 O ATOM 0 H GLY A 28 25.218 10.334 11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.900 11.753 10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.557 13.029 11.664 1.00 0.00 H new ATOM 444 N GLY A 29 28.411 12.202 13.155 1.00 0.00 N ATOM 445 CA GLY A 29 29.440 11.696 14.109 1.00 0.00 C ATOM 446 C GLY A 29 30.413 12.820 14.476 1.00 0.00 C ATOM 447 O GLY A 29 31.596 12.736 14.207 1.00 0.00 O ATOM 0 H GLY A 29 28.366 13.217 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.957 11.314 15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 29 29.984 10.864 13.662 1.00 0.00 H new ATOM 451 N LEU A 30 29.924 13.865 15.097 1.00 0.00 N ATOM 452 CA LEU A 30 30.821 14.992 15.493 1.00 0.00 C ATOM 453 C LEU A 30 31.726 14.524 16.636 1.00 0.00 C ATOM 454 O LEU A 30 31.258 14.167 17.700 1.00 0.00 O ATOM 455 CB LEU A 30 29.969 16.187 15.953 1.00 0.00 C ATOM 456 CG LEU A 30 30.256 17.405 15.065 1.00 0.00 C ATOM 457 CD1 LEU A 30 28.962 18.190 14.837 1.00 0.00 C ATOM 458 CD2 LEU A 30 31.281 18.311 15.752 1.00 0.00 C ATOM 0 H LEU A 30 28.942 13.985 15.346 1.00 0.00 H new ATOM 0 HA LEU A 30 31.433 15.300 14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 28.911 15.931 15.903 1.00 0.00 H new ATOM 0 HB3 LEU A 30 30.191 16.424 16.993 1.00 0.00 H new ATOM 0 HG LEU A 30 30.652 17.066 14.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 29.167 19.055 14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 30 28.229 17.549 14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 28.567 18.526 15.796 1.00 0.00 H new ATOM 0 HD21 LEU A 30 31.484 19.176 15.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 30.885 18.647 16.710 1.00 0.00 H new ATOM 0 HD23 LEU A 30 32.205 17.756 15.915 1.00 0.00 H new ATOM 470 N LEU A 31 33.017 14.515 16.418 1.00 0.00 N ATOM 471 CA LEU A 31 33.956 14.060 17.485 1.00 0.00 C ATOM 472 C LEU A 31 34.348 15.247 18.371 1.00 0.00 C ATOM 473 O LEU A 31 33.982 15.312 19.530 1.00 0.00 O ATOM 474 CB LEU A 31 35.211 13.459 16.843 1.00 0.00 C ATOM 475 CG LEU A 31 34.807 12.394 15.819 1.00 0.00 C ATOM 476 CD1 LEU A 31 36.024 12.009 14.974 1.00 0.00 C ATOM 477 CD2 LEU A 31 34.281 11.155 16.551 1.00 0.00 C ATOM 0 H LEU A 31 33.460 14.804 15.546 1.00 0.00 H new ATOM 0 HA LEU A 31 33.465 13.303 18.097 1.00 0.00 H new ATOM 0 HB2 LEU A 31 35.793 14.242 16.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 35.848 13.017 17.610 1.00 0.00 H new ATOM 0 HG LEU A 31 34.026 12.792 15.171 1.00 0.00 H new ATOM 0 HD11 LEU A 31 35.736 11.251 14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 36.398 12.890 14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 31 36.805 11.611 15.622 1.00 0.00 H new ATOM 0 HD21 LEU A 31 33.993 10.397 15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 35.061 10.757 17.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 33.414 11.428 17.152 1.00 0.00 H new ATOM 489 N GLY A 32 35.091 16.182 17.835 1.00 0.00 N ATOM 490 CA GLY A 32 35.514 17.366 18.641 1.00 0.00 C ATOM 491 C GLY A 32 34.346 18.343 18.776 1.00 0.00 C ATOM 492 O GLY A 32 33.401 18.305 18.010 1.00 0.00 O ATOM 0 H GLY A 32 35.424 16.176 16.871 1.00 0.00 H new ATOM 0 HA2 GLY A 32 35.848 17.045 19.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.360 17.860 18.163 1.00 0.00 H new ATOM 496 N GLU A 33 34.408 19.219 19.747 1.00 0.00 N ATOM 497 CA GLU A 33 33.310 20.207 19.945 1.00 0.00 C ATOM 498 C GLU A 33 33.524 21.402 19.013 1.00 0.00 C ATOM 499 O GLU A 33 32.747 21.640 18.107 1.00 0.00 O ATOM 500 CB GLU A 33 33.312 20.690 21.397 1.00 0.00 C ATOM 501 CG GLU A 33 32.083 21.571 21.647 1.00 0.00 C ATOM 502 CD GLU A 33 30.983 20.741 22.313 1.00 0.00 C ATOM 503 OE1 GLU A 33 31.247 20.180 23.364 1.00 0.00 O ATOM 504 OE2 GLU A 33 29.898 20.680 21.760 1.00 0.00 O ATOM 0 H GLU A 33 35.177 19.291 20.413 1.00 0.00 H new ATOM 0 HA GLU A 33 32.354 19.735 19.719 1.00 0.00 H new ATOM 0 HB2 GLU A 33 33.304 19.836 22.075 1.00 0.00 H new ATOM 0 HB3 GLU A 33 34.223 21.252 21.603 1.00 0.00 H new ATOM 0 HG2 GLU A 33 32.351 22.415 22.283 1.00 0.00 H new ATOM 0 HG3 GLU A 33 31.721 21.984 20.705 1.00 0.00 H new ATOM 511 N LYS A 34 34.571 22.155 19.235 1.00 0.00 N ATOM 512 CA LYS A 34 34.846 23.339 18.373 1.00 0.00 C ATOM 513 C LYS A 34 36.147 23.116 17.599 1.00 0.00 C ATOM 514 O LYS A 34 36.640 24.071 17.022 1.00 0.00 O ATOM 515 CB LYS A 34 34.980 24.587 19.248 1.00 0.00 C ATOM 516 CG LYS A 34 33.623 25.286 19.356 1.00 0.00 C ATOM 517 CD LYS A 34 33.701 26.391 20.412 1.00 0.00 C ATOM 518 CE LYS A 34 32.445 27.262 20.342 1.00 0.00 C ATOM 519 NZ LYS A 34 32.823 28.692 20.521 1.00 0.00 N ATOM 520 OXT LYS A 34 36.626 21.995 17.595 1.00 0.00 O ATOM 0 H LYS A 34 35.249 21.998 19.980 1.00 0.00 H new ATOM 0 HA LYS A 34 34.024 23.475 17.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 35.338 24.311 20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 34 35.717 25.266 18.820 1.00 0.00 H new ATOM 0 HG2 LYS A 34 33.342 25.709 18.392 1.00 0.00 H new ATOM 0 HG3 LYS A 34 32.851 24.565 19.625 1.00 0.00 H new ATOM 0 HD2 LYS A 34 33.796 25.952 21.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 34.588 27.002 20.248 1.00 0.00 H new ATOM 0 HE2 LYS A 34 31.946 27.124 19.383 1.00 0.00 H new ATOM 0 HE3 LYS A 34 31.738 26.962 21.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 31.970 29.285 20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 33.281 28.817 21.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 33.483 28.974 19.768 1.00 0.00 H new TER 534 LYS A 34