USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 257 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 1 PHE N :NH3+ -118:sc= 0.00776 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -7.9! C(o=-7.9!,f=-7.6!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2 K(o=-2,f=-2.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 93:sc= 0.00212 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.478 F(o=-1.5!,f=-0.48) USER MOD Single : A 21 SER OG : rot 180:sc= -2.78! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.147 -1.794 -8.067 1.00 22.03 N ATOM 2 CA PHE A 1 3.653 -0.581 -7.448 1.00 43.52 C ATOM 3 C PHE A 1 2.518 0.405 -7.165 1.00 11.12 C ATOM 4 O PHE A 1 1.531 0.448 -7.898 1.00 0.22 O ATOM 5 CB PHE A 1 4.628 0.055 -8.442 1.00 21.24 C ATOM 6 CG PHE A 1 3.957 0.946 -9.489 1.00 31.13 C ATOM 7 CD1 PHE A 1 3.398 2.129 -9.117 1.00 70.13 C ATOM 8 CD2 PHE A 1 3.919 0.555 -10.791 1.00 1.12 C ATOM 9 CE1 PHE A 1 2.775 2.956 -10.089 1.00 70.20 C ATOM 10 CE2 PHE A 1 3.296 1.382 -11.763 1.00 10.15 C ATOM 11 CZ PHE A 1 2.737 2.565 -11.391 1.00 41.01 C ATOM 0 H1 PHE A 1 3.342 -2.607 -7.448 1.00 22.03 H new ATOM 0 H2 PHE A 1 2.121 -1.708 -8.212 1.00 22.03 H new ATOM 0 H3 PHE A 1 3.616 -1.937 -8.984 1.00 22.03 H new ATOM 0 HA PHE A 1 4.135 -0.820 -6.500 1.00 43.52 H new ATOM 0 HB2 PHE A 1 5.358 0.647 -7.890 1.00 21.24 H new ATOM 0 HB3 PHE A 1 5.178 -0.736 -8.952 1.00 21.24 H new ATOM 0 HD1 PHE A 1 3.428 2.439 -8.083 1.00 70.13 H new ATOM 0 HD2 PHE A 1 4.363 -0.385 -11.086 1.00 1.12 H new ATOM 0 HE1 PHE A 1 2.331 3.896 -9.794 1.00 70.20 H new ATOM 0 HE2 PHE A 1 3.266 1.072 -12.797 1.00 10.15 H new ATOM 0 HZ PHE A 1 2.263 3.194 -12.130 1.00 41.01 H new ATOM 21 N ASN A 2 2.696 1.173 -6.100 1.00 34.34 N ATOM 22 CA ASN A 2 1.698 2.155 -5.710 1.00 42.12 C ATOM 23 C ASN A 2 2.401 3.424 -5.223 1.00 23.52 C ATOM 24 O ASN A 2 2.029 4.531 -5.608 1.00 20.12 O ATOM 25 CB ASN A 2 0.825 1.630 -4.569 1.00 54.51 C ATOM 26 CG ASN A 2 1.195 0.189 -4.213 1.00 52.30 C ATOM 27 OD1 ASN A 2 1.129 -0.716 -5.029 1.00 1.52 O ATOM 28 ND2 ASN A 2 1.587 0.027 -2.952 1.00 55.15 N ATOM 0 H ASN A 2 3.516 1.135 -5.495 1.00 34.34 H new ATOM 0 HA ASN A 2 1.071 2.362 -6.577 1.00 42.12 H new ATOM 0 HB2 ASN A 2 0.944 2.267 -3.693 1.00 54.51 H new ATOM 0 HB3 ASN A 2 -0.225 1.679 -4.858 1.00 54.51 H new ATOM 0 HD21 ASN A 2 1.855 -0.898 -2.616 1.00 55.15 H new ATOM 0 HD22 ASN A 2 1.619 0.828 -2.321 1.00 55.15 H new ATOM 35 N ARG A 3 3.405 3.220 -4.383 1.00 23.43 N ATOM 36 CA ARG A 3 4.164 4.333 -3.839 1.00 12.14 C ATOM 37 C ARG A 3 4.813 5.135 -4.968 1.00 4.20 C ATOM 38 O ARG A 3 4.997 6.346 -4.849 1.00 33.44 O ATOM 39 CB ARG A 3 5.251 3.843 -2.880 1.00 33.11 C ATOM 40 CG ARG A 3 6.022 2.666 -3.481 1.00 40.11 C ATOM 41 CD ARG A 3 5.896 1.421 -2.601 1.00 32.10 C ATOM 42 NE ARG A 3 4.710 0.634 -3.005 1.00 74.42 N ATOM 43 CZ ARG A 3 4.735 -0.357 -3.922 1.00 42.23 C ATOM 44 NH1 ARG A 3 5.889 -0.690 -4.539 1.00 50.10 N ATOM 45 NH2 ARG A 3 3.615 -0.995 -4.207 1.00 1.41 N ATOM 0 H ARG A 3 3.711 2.300 -4.066 1.00 23.43 H new ATOM 0 HA ARG A 3 3.471 4.969 -3.289 1.00 12.14 H new ATOM 0 HB2 ARG A 3 5.940 4.658 -2.658 1.00 33.11 H new ATOM 0 HB3 ARG A 3 4.799 3.542 -1.935 1.00 33.11 H new ATOM 0 HG2 ARG A 3 5.642 2.450 -4.480 1.00 40.11 H new ATOM 0 HG3 ARG A 3 7.073 2.933 -3.591 1.00 40.11 H new ATOM 0 HD2 ARG A 3 6.795 0.811 -2.689 1.00 32.10 H new ATOM 0 HD3 ARG A 3 5.810 1.713 -1.554 1.00 32.10 H new ATOM 0 HE ARG A 3 3.817 0.854 -2.563 1.00 74.42 H new ATOM 0 HH11 ARG A 3 6.750 -0.192 -4.314 1.00 50.10 H new ATOM 0 HH12 ARG A 3 5.900 -1.440 -5.231 1.00 50.10 H new ATOM 0 HH21 ARG A 3 2.747 -0.737 -3.737 1.00 1.41 H new ATOM 0 HH22 ARG A 3 3.617 -1.746 -4.897 1.00 1.41 H new ATOM 58 N GLY A 4 5.144 4.428 -6.039 1.00 12.14 N ATOM 59 CA GLY A 4 5.769 5.059 -7.188 1.00 41.25 C ATOM 60 C GLY A 4 6.762 6.138 -6.750 1.00 33.32 C ATOM 61 O GLY A 4 6.930 7.146 -7.433 1.00 43.34 O ATOM 0 H GLY A 4 4.991 3.424 -6.135 1.00 12.14 H new ATOM 0 HA2 GLY A 4 6.284 4.306 -7.785 1.00 41.25 H new ATOM 0 HA3 GLY A 4 5.003 5.502 -7.825 1.00 41.25 H new ATOM 65 N GLY A 5 7.393 5.888 -5.612 1.00 12.32 N ATOM 66 CA GLY A 5 8.364 6.826 -5.074 1.00 22.52 C ATOM 67 C GLY A 5 9.791 6.312 -5.275 1.00 23.34 C ATOM 68 O GLY A 5 10.598 6.955 -5.945 1.00 31.24 O ATOM 0 H GLY A 5 7.251 5.050 -5.048 1.00 12.32 H new ATOM 0 HA2 GLY A 5 8.250 7.794 -5.563 1.00 22.52 H new ATOM 0 HA3 GLY A 5 8.176 6.981 -4.012 1.00 22.52 H new ATOM 72 N TYR A 6 10.060 5.158 -4.682 1.00 35.43 N ATOM 73 CA TYR A 6 11.375 4.550 -4.787 1.00 43.20 C ATOM 74 C TYR A 6 11.493 3.714 -6.063 1.00 53.00 C ATOM 75 O TYR A 6 12.597 3.432 -6.525 1.00 41.13 O ATOM 76 CB TYR A 6 11.513 3.629 -3.573 1.00 73.24 C ATOM 77 CG TYR A 6 10.714 4.086 -2.351 1.00 43.42 C ATOM 78 CD1 TYR A 6 11.260 5.000 -1.473 1.00 42.50 C ATOM 79 CD2 TYR A 6 9.448 3.585 -2.127 1.00 1.23 C ATOM 80 CE1 TYR A 6 10.509 5.431 -0.323 1.00 13.23 C ATOM 81 CE2 TYR A 6 8.697 4.016 -0.976 1.00 74.14 C ATOM 82 CZ TYR A 6 9.264 4.918 -0.131 1.00 60.41 C ATOM 83 OH TYR A 6 8.554 5.324 0.955 1.00 3.44 O ATOM 0 H TYR A 6 9.389 4.628 -4.127 1.00 35.43 H new ATOM 0 HA TYR A 6 12.150 5.316 -4.820 1.00 43.20 H new ATOM 0 HB2 TYR A 6 11.189 2.626 -3.852 1.00 73.24 H new ATOM 0 HB3 TYR A 6 12.566 3.559 -3.300 1.00 73.24 H new ATOM 0 HD1 TYR A 6 12.251 5.392 -1.649 1.00 42.50 H new ATOM 0 HD2 TYR A 6 9.020 2.870 -2.814 1.00 1.23 H new ATOM 0 HE1 TYR A 6 10.925 6.146 0.372 1.00 13.23 H new ATOM 0 HE2 TYR A 6 7.705 3.631 -0.788 1.00 74.14 H new ATOM 0 HH TYR A 6 7.683 4.876 0.962 1.00 3.44 H new ATOM 93 N ASN A 7 10.339 3.341 -6.596 1.00 54.02 N ATOM 94 CA ASN A 7 10.298 2.543 -7.810 1.00 30.23 C ATOM 95 C ASN A 7 10.988 3.307 -8.941 1.00 43.31 C ATOM 96 O ASN A 7 11.197 4.515 -8.842 1.00 0.43 O ATOM 97 CB ASN A 7 8.856 2.265 -8.238 1.00 72.11 C ATOM 98 CG ASN A 7 8.302 1.027 -7.530 1.00 23.21 C ATOM 99 OD1 ASN A 7 7.733 0.135 -8.137 1.00 72.02 O ATOM 100 ND2 ASN A 7 8.501 1.022 -6.215 1.00 33.12 N ATOM 0 H ASN A 7 9.425 3.577 -6.210 1.00 54.02 H new ATOM 0 HA ASN A 7 10.803 1.598 -7.609 1.00 30.23 H new ATOM 0 HB2 ASN A 7 8.232 3.129 -8.009 1.00 72.11 H new ATOM 0 HB3 ASN A 7 8.815 2.120 -9.317 1.00 72.11 H new ATOM 0 HD21 ASN A 7 8.169 0.239 -5.652 1.00 33.12 H new ATOM 0 HD22 ASN A 7 8.985 1.801 -5.770 1.00 33.12 H new ATOM 107 N PHE A 8 11.324 2.572 -9.991 1.00 35.33 N ATOM 108 CA PHE A 8 11.986 3.165 -11.140 1.00 10.22 C ATOM 109 C PHE A 8 12.584 2.087 -12.046 1.00 35.32 C ATOM 110 O PHE A 8 13.697 2.238 -12.546 1.00 51.32 O ATOM 111 CB PHE A 8 13.116 4.044 -10.600 1.00 13.32 C ATOM 112 CG PHE A 8 13.790 3.489 -9.343 1.00 53.43 C ATOM 113 CD1 PHE A 8 13.804 2.149 -9.115 1.00 62.32 C ATOM 114 CD2 PHE A 8 14.374 4.337 -8.455 1.00 23.34 C ATOM 115 CE1 PHE A 8 14.430 1.634 -7.949 1.00 74.30 C ATOM 116 CE2 PHE A 8 15.000 3.822 -7.288 1.00 73.34 C ATOM 117 CZ PHE A 8 15.014 2.481 -7.060 1.00 61.02 C ATOM 0 H PHE A 8 11.150 1.570 -10.070 1.00 35.33 H new ATOM 0 HA PHE A 8 11.269 3.738 -11.727 1.00 10.22 H new ATOM 0 HB2 PHE A 8 13.869 4.169 -11.378 1.00 13.32 H new ATOM 0 HB3 PHE A 8 12.718 5.035 -10.379 1.00 13.32 H new ATOM 0 HD1 PHE A 8 13.339 1.476 -9.820 1.00 62.32 H new ATOM 0 HD2 PHE A 8 14.362 5.402 -8.637 1.00 23.34 H new ATOM 0 HE1 PHE A 8 14.442 0.569 -7.768 1.00 74.30 H new ATOM 0 HE2 PHE A 8 15.464 4.495 -6.582 1.00 73.34 H new ATOM 0 HZ PHE A 8 15.489 2.089 -6.173 1.00 61.02 H new ATOM 127 N GLY A 9 11.817 1.022 -12.229 1.00 70.22 N ATOM 128 CA GLY A 9 12.257 -0.082 -13.066 1.00 53.42 C ATOM 129 C GLY A 9 11.069 -0.931 -13.522 1.00 73.31 C ATOM 130 O GLY A 9 10.916 -1.204 -14.712 1.00 11.51 O ATOM 0 H GLY A 9 10.894 0.900 -11.812 1.00 70.22 H new ATOM 0 HA2 GLY A 9 12.787 0.305 -13.936 1.00 53.42 H new ATOM 0 HA3 GLY A 9 12.962 -0.703 -12.514 1.00 53.42 H new ATOM 134 N LYS A 10 10.258 -1.327 -12.552 1.00 11.43 N ATOM 135 CA LYS A 10 9.088 -2.140 -12.838 1.00 43.24 C ATOM 136 C LYS A 10 8.095 -1.323 -13.667 1.00 43.24 C ATOM 137 O LYS A 10 7.688 -1.745 -14.748 1.00 71.53 O ATOM 138 CB LYS A 10 8.495 -2.700 -11.544 1.00 52.22 C ATOM 139 CG LYS A 10 9.589 -2.961 -10.507 1.00 40.30 C ATOM 140 CD LYS A 10 9.522 -1.939 -9.370 1.00 75.20 C ATOM 141 CE LYS A 10 10.913 -1.400 -9.034 1.00 43.23 C ATOM 142 NZ LYS A 10 11.682 -2.398 -8.258 1.00 4.23 N ATOM 0 H LYS A 10 10.388 -1.100 -11.566 1.00 11.43 H new ATOM 0 HA LYS A 10 9.364 -3.008 -13.436 1.00 43.24 H new ATOM 0 HB2 LYS A 10 7.766 -1.997 -11.140 1.00 52.22 H new ATOM 0 HB3 LYS A 10 7.961 -3.626 -11.756 1.00 52.22 H new ATOM 0 HG2 LYS A 10 9.479 -3.967 -10.103 1.00 40.30 H new ATOM 0 HG3 LYS A 10 10.567 -2.914 -10.986 1.00 40.30 H new ATOM 0 HD2 LYS A 10 8.868 -1.115 -9.655 1.00 75.20 H new ATOM 0 HD3 LYS A 10 9.084 -2.402 -8.486 1.00 75.20 H new ATOM 0 HE2 LYS A 10 11.446 -1.155 -9.953 1.00 43.23 H new ATOM 0 HE3 LYS A 10 10.823 -0.476 -8.462 1.00 43.23 H new ATOM 0 HZ1 LYS A 10 12.624 -2.016 -8.038 1.00 4.23 H new ATOM 0 HZ2 LYS A 10 11.180 -2.611 -7.373 1.00 4.23 H new ATOM 0 HZ3 LYS A 10 11.784 -3.269 -8.817 1.00 4.23 H new ATOM 155 N SER A 11 7.734 -0.167 -13.129 1.00 62.23 N ATOM 156 CA SER A 11 6.797 0.713 -13.806 1.00 34.12 C ATOM 157 C SER A 11 7.280 0.998 -15.229 1.00 42.01 C ATOM 158 O SER A 11 6.472 1.165 -16.141 1.00 41.43 O ATOM 159 CB SER A 11 6.615 2.022 -13.035 1.00 22.24 C ATOM 160 OG SER A 11 5.790 2.946 -13.738 1.00 51.13 O ATOM 0 H SER A 11 8.074 0.180 -12.232 1.00 62.23 H new ATOM 0 HA SER A 11 5.830 0.212 -13.851 1.00 34.12 H new ATOM 0 HB2 SER A 11 6.174 1.811 -12.061 1.00 22.24 H new ATOM 0 HB3 SER A 11 7.590 2.473 -12.852 1.00 22.24 H new ATOM 0 HG SER A 11 4.859 2.838 -13.451 1.00 51.13 H new ATOM 166 N VAL A 12 8.596 1.045 -15.374 1.00 62.44 N ATOM 167 CA VAL A 12 9.197 1.307 -16.671 1.00 62.42 C ATOM 168 C VAL A 12 8.824 0.181 -17.638 1.00 52.22 C ATOM 169 O VAL A 12 8.649 0.417 -18.833 1.00 20.13 O ATOM 170 CB VAL A 12 10.709 1.488 -16.520 1.00 51.23 C ATOM 171 CG1 VAL A 12 11.435 1.149 -17.824 1.00 14.41 C ATOM 172 CG2 VAL A 12 11.047 2.907 -16.057 1.00 21.41 C ATOM 0 H VAL A 12 9.263 0.906 -14.615 1.00 62.44 H new ATOM 0 HA VAL A 12 8.812 2.237 -17.090 1.00 62.42 H new ATOM 0 HB VAL A 12 11.055 0.794 -15.754 1.00 51.23 H new ATOM 0 HG11 VAL A 12 12.508 1.286 -17.689 1.00 14.41 H new ATOM 0 HG12 VAL A 12 11.233 0.113 -18.094 1.00 14.41 H new ATOM 0 HG13 VAL A 12 11.082 1.807 -18.618 1.00 14.41 H new ATOM 0 HG21 VAL A 12 12.128 3.010 -15.957 1.00 21.41 H new ATOM 0 HG22 VAL A 12 10.680 3.626 -16.790 1.00 21.41 H new ATOM 0 HG23 VAL A 12 10.574 3.098 -15.094 1.00 21.41 H new ATOM 182 N ARG A 13 8.713 -1.018 -17.086 1.00 14.13 N ATOM 183 CA ARG A 13 8.363 -2.180 -17.884 1.00 62.44 C ATOM 184 C ARG A 13 6.919 -2.071 -18.378 1.00 1.22 C ATOM 185 O ARG A 13 6.600 -2.518 -19.478 1.00 52.03 O ATOM 186 CB ARG A 13 8.523 -3.471 -17.078 1.00 12.30 C ATOM 187 CG ARG A 13 9.922 -3.565 -16.466 1.00 31.22 C ATOM 188 CD ARG A 13 10.981 -3.035 -17.434 1.00 61.45 C ATOM 189 NE ARG A 13 10.856 -3.716 -18.743 1.00 22.14 N ATOM 190 CZ ARG A 13 11.163 -5.014 -18.953 1.00 1.11 C ATOM 191 NH1 ARG A 13 11.616 -5.783 -17.941 1.00 24.54 N ATOM 192 NH2 ARG A 13 11.013 -5.519 -20.163 1.00 43.03 N ATOM 0 H ARG A 13 8.859 -1.210 -16.095 1.00 14.13 H new ATOM 0 HA ARG A 13 9.041 -2.211 -18.737 1.00 62.44 H new ATOM 0 HB2 ARG A 13 7.773 -3.506 -16.288 1.00 12.30 H new ATOM 0 HB3 ARG A 13 8.346 -4.331 -17.723 1.00 12.30 H new ATOM 0 HG2 ARG A 13 9.955 -2.995 -15.537 1.00 31.22 H new ATOM 0 HG3 ARG A 13 10.143 -4.602 -16.212 1.00 31.22 H new ATOM 0 HD2 ARG A 13 10.863 -1.959 -17.562 1.00 61.45 H new ATOM 0 HD3 ARG A 13 11.977 -3.200 -17.023 1.00 61.45 H new ATOM 0 HE ARG A 13 10.517 -3.171 -19.535 1.00 22.14 H new ATOM 0 HH11 ARG A 13 11.729 -5.385 -17.009 1.00 24.54 H new ATOM 0 HH12 ARG A 13 11.846 -6.763 -18.108 1.00 24.54 H new ATOM 0 HH21 ARG A 13 10.670 -4.931 -20.922 1.00 43.03 H new ATOM 0 HH22 ARG A 13 11.240 -6.498 -20.339 1.00 43.03 H new ATOM 205 N HIS A 14 6.085 -1.473 -17.540 1.00 32.43 N ATOM 206 CA HIS A 14 4.682 -1.299 -17.877 1.00 22.41 C ATOM 207 C HIS A 14 4.534 -0.158 -18.885 1.00 5.01 C ATOM 208 O HIS A 14 3.781 -0.271 -19.851 1.00 21.33 O ATOM 209 CB HIS A 14 3.842 -1.089 -16.616 1.00 3.05 C ATOM 210 CG HIS A 14 2.649 -0.185 -16.816 1.00 4.22 C ATOM 211 ND1 HIS A 14 2.578 1.150 -17.089 1.00 30.05 N flip ATOM 212 CD2 HIS A 14 1.344 -0.638 -16.740 1.00 25.31 C flip ATOM 213 CE1 HIS A 14 1.299 1.493 -17.176 1.00 63.35 C flip ATOM 214 NE2 HIS A 14 0.532 0.386 -16.959 1.00 63.43 N flip ATOM 0 H HIS A 14 6.354 -1.103 -16.628 1.00 32.43 H new ATOM 0 HA HIS A 14 4.303 -2.205 -18.349 1.00 22.41 H new ATOM 0 HB2 HIS A 14 3.495 -2.058 -16.258 1.00 3.05 H new ATOM 0 HB3 HIS A 14 4.476 -0.669 -15.835 1.00 3.05 H new ATOM 0 HD2 HIS A 14 1.039 -1.654 -16.537 1.00 25.31 H new ATOM 0 HE1 HIS A 14 0.927 2.485 -17.384 1.00 63.35 H new ATOM 0 HE2 HIS A 14 -0.487 0.352 -16.964 1.00 63.43 H new ATOM 222 N VAL A 15 5.266 0.916 -18.626 1.00 33.14 N ATOM 223 CA VAL A 15 5.226 2.077 -19.498 1.00 53.21 C ATOM 224 C VAL A 15 5.858 1.720 -20.845 1.00 21.03 C ATOM 225 O VAL A 15 5.424 2.207 -21.887 1.00 51.32 O ATOM 226 CB VAL A 15 5.903 3.268 -18.816 1.00 65.43 C ATOM 227 CG1 VAL A 15 7.379 3.357 -19.209 1.00 64.02 C ATOM 228 CG2 VAL A 15 5.171 4.572 -19.136 1.00 11.23 C ATOM 0 H VAL A 15 5.890 1.006 -17.824 1.00 33.14 H new ATOM 0 HA VAL A 15 4.195 2.374 -19.691 1.00 53.21 H new ATOM 0 HB VAL A 15 5.851 3.111 -17.739 1.00 65.43 H new ATOM 0 HG11 VAL A 15 7.837 4.212 -18.711 1.00 64.02 H new ATOM 0 HG12 VAL A 15 7.892 2.444 -18.907 1.00 64.02 H new ATOM 0 HG13 VAL A 15 7.461 3.479 -20.289 1.00 64.02 H new ATOM 0 HG21 VAL A 15 5.673 5.402 -18.639 1.00 11.23 H new ATOM 0 HG22 VAL A 15 5.176 4.737 -20.213 1.00 11.23 H new ATOM 0 HG23 VAL A 15 4.141 4.507 -18.784 1.00 11.23 H new ATOM 238 N VAL A 16 6.874 0.872 -20.779 1.00 30.02 N ATOM 239 CA VAL A 16 7.571 0.444 -21.980 1.00 35.20 C ATOM 240 C VAL A 16 6.563 -0.159 -22.961 1.00 21.31 C ATOM 241 O VAL A 16 6.660 0.058 -24.168 1.00 22.42 O ATOM 242 CB VAL A 16 8.700 -0.521 -21.614 1.00 70.31 C ATOM 243 CG1 VAL A 16 9.055 -1.424 -22.798 1.00 0.45 C ATOM 244 CG2 VAL A 16 9.931 0.239 -21.115 1.00 74.33 C ATOM 0 H VAL A 16 7.231 0.470 -19.912 1.00 30.02 H new ATOM 0 HA VAL A 16 8.038 1.295 -22.475 1.00 35.20 H new ATOM 0 HB VAL A 16 8.347 -1.157 -20.802 1.00 70.31 H new ATOM 0 HG11 VAL A 16 9.860 -2.100 -22.511 1.00 0.45 H new ATOM 0 HG12 VAL A 16 8.179 -2.005 -23.088 1.00 0.45 H new ATOM 0 HG13 VAL A 16 9.379 -0.811 -23.639 1.00 0.45 H new ATOM 0 HG21 VAL A 16 10.719 -0.471 -20.862 1.00 74.33 H new ATOM 0 HG22 VAL A 16 10.285 0.911 -21.897 1.00 74.33 H new ATOM 0 HG23 VAL A 16 9.667 0.819 -20.231 1.00 74.33 H new ATOM 254 N ASP A 17 5.619 -0.905 -22.406 1.00 54.40 N ATOM 255 CA ASP A 17 4.594 -1.541 -23.217 1.00 3.41 C ATOM 256 C ASP A 17 3.602 -0.481 -23.700 1.00 73.20 C ATOM 257 O ASP A 17 2.946 -0.661 -24.725 1.00 64.13 O ATOM 258 CB ASP A 17 3.818 -2.581 -22.407 1.00 62.23 C ATOM 259 CG ASP A 17 3.633 -3.933 -23.100 1.00 52.31 C ATOM 260 OD1 ASP A 17 3.064 -4.872 -22.525 1.00 74.31 O ATOM 261 OD2 ASP A 17 4.108 -4.001 -24.298 1.00 33.14 O ATOM 0 H ASP A 17 5.542 -1.083 -21.405 1.00 54.40 H new ATOM 0 HA ASP A 17 5.085 -2.032 -24.058 1.00 3.41 H new ATOM 0 HB2 ASP A 17 4.335 -2.742 -21.461 1.00 62.23 H new ATOM 0 HB3 ASP A 17 2.835 -2.174 -22.168 1.00 62.23 H new ATOM 267 N ALA A 18 3.522 0.600 -22.939 1.00 10.15 N ATOM 268 CA ALA A 18 2.620 1.688 -23.276 1.00 44.41 C ATOM 269 C ALA A 18 2.995 2.248 -24.650 1.00 71.42 C ATOM 270 O ALA A 18 2.127 2.685 -25.404 1.00 72.41 O ATOM 271 CB ALA A 18 2.673 2.754 -22.179 1.00 75.32 C ATOM 0 H ALA A 18 4.067 0.746 -22.089 1.00 10.15 H new ATOM 0 HA ALA A 18 1.592 1.330 -23.334 1.00 44.41 H new ATOM 0 HB1 ALA A 18 1.996 3.570 -22.432 1.00 75.32 H new ATOM 0 HB2 ALA A 18 2.371 2.314 -21.229 1.00 75.32 H new ATOM 0 HB3 ALA A 18 3.689 3.138 -22.094 1.00 75.32 H new ATOM 277 N ILE A 19 4.289 2.216 -24.934 1.00 74.51 N ATOM 278 CA ILE A 19 4.789 2.714 -26.204 1.00 74.32 C ATOM 279 C ILE A 19 4.065 2.000 -27.348 1.00 31.14 C ATOM 280 O ILE A 19 4.009 2.509 -28.466 1.00 2.42 O ATOM 281 CB ILE A 19 6.312 2.587 -26.267 1.00 2.52 C ATOM 282 CG1 ILE A 19 6.987 3.650 -25.397 1.00 14.12 C ATOM 283 CG2 ILE A 19 6.807 2.633 -27.714 1.00 20.21 C ATOM 284 CD1 ILE A 19 7.770 3.005 -24.252 1.00 21.11 C ATOM 0 H ILE A 19 5.006 1.853 -24.306 1.00 74.51 H new ATOM 0 HA ILE A 19 4.576 3.778 -26.306 1.00 74.32 H new ATOM 0 HB ILE A 19 6.590 1.614 -25.862 1.00 2.52 H new ATOM 0 HG12 ILE A 19 7.659 4.252 -26.008 1.00 14.12 H new ATOM 0 HG13 ILE A 19 6.234 4.326 -24.992 1.00 14.12 H new ATOM 0 HG21 ILE A 19 7.893 2.541 -27.730 1.00 20.21 H new ATOM 0 HG22 ILE A 19 6.365 1.811 -28.276 1.00 20.21 H new ATOM 0 HG23 ILE A 19 6.517 3.580 -28.168 1.00 20.21 H new ATOM 0 HD11 ILE A 19 8.240 3.782 -23.649 1.00 21.11 H new ATOM 0 HD12 ILE A 19 7.091 2.424 -23.629 1.00 21.11 H new ATOM 0 HD13 ILE A 19 8.538 2.349 -24.661 1.00 21.11 H new ATOM 296 N GLY A 20 3.529 0.831 -27.028 1.00 15.41 N ATOM 297 CA GLY A 20 2.811 0.042 -28.014 1.00 54.35 C ATOM 298 C GLY A 20 1.320 -0.034 -27.677 1.00 2.24 C ATOM 299 O GLY A 20 0.487 -0.209 -28.564 1.00 50.34 O ATOM 0 H GLY A 20 3.578 0.412 -26.100 1.00 15.41 H new ATOM 0 HA2 GLY A 20 2.942 0.482 -29.002 1.00 54.35 H new ATOM 0 HA3 GLY A 20 3.230 -0.964 -28.055 1.00 54.35 H new ATOM 303 N SER A 21 1.030 0.101 -26.391 1.00 51.30 N ATOM 304 CA SER A 21 -0.345 0.050 -25.925 1.00 34.01 C ATOM 305 C SER A 21 -1.101 1.297 -26.387 1.00 55.23 C ATOM 306 O SER A 21 -2.313 1.252 -26.594 1.00 71.12 O ATOM 307 CB SER A 21 -0.406 -0.073 -24.401 1.00 72.11 C ATOM 308 OG SER A 21 -1.315 -1.088 -23.983 1.00 62.44 O ATOM 0 H SER A 21 1.724 0.246 -25.658 1.00 51.30 H new ATOM 0 HA SER A 21 -0.818 -0.834 -26.353 1.00 34.01 H new ATOM 0 HB2 SER A 21 0.589 -0.296 -24.015 1.00 72.11 H new ATOM 0 HB3 SER A 21 -0.707 0.883 -23.972 1.00 72.11 H new ATOM 0 HG SER A 21 -1.324 -1.136 -23.004 1.00 62.44 H new ATOM 314 N VAL A 22 -0.355 2.382 -26.536 1.00 22.51 N ATOM 315 CA VAL A 22 -0.939 3.639 -26.970 1.00 74.00 C ATOM 316 C VAL A 22 -1.610 3.442 -28.331 1.00 63.21 C ATOM 317 O VAL A 22 -2.623 4.074 -28.625 1.00 72.43 O ATOM 318 CB VAL A 22 0.128 4.735 -26.982 1.00 54.54 C ATOM 319 CG1 VAL A 22 1.370 4.283 -27.752 1.00 30.20 C ATOM 320 CG2 VAL A 22 -0.431 6.038 -27.560 1.00 30.43 C ATOM 0 H VAL A 22 0.650 2.416 -26.364 1.00 22.51 H new ATOM 0 HA VAL A 22 -1.711 3.963 -26.272 1.00 74.00 H new ATOM 0 HB VAL A 22 0.424 4.925 -25.950 1.00 54.54 H new ATOM 0 HG11 VAL A 22 2.113 5.081 -27.745 1.00 30.20 H new ATOM 0 HG12 VAL A 22 1.788 3.394 -27.279 1.00 30.20 H new ATOM 0 HG13 VAL A 22 1.096 4.051 -28.781 1.00 30.20 H new ATOM 0 HG21 VAL A 22 0.348 6.801 -27.557 1.00 30.43 H new ATOM 0 HG22 VAL A 22 -0.768 5.867 -28.582 1.00 30.43 H new ATOM 0 HG23 VAL A 22 -1.271 6.375 -26.952 1.00 30.43 H new ATOM 330 N ALA A 23 -1.017 2.562 -29.125 1.00 43.52 N ATOM 331 CA ALA A 23 -1.544 2.274 -30.448 1.00 42.12 C ATOM 332 C ALA A 23 -2.824 1.447 -30.313 1.00 51.43 C ATOM 333 O ALA A 23 -3.606 1.349 -31.257 1.00 53.45 O ATOM 334 CB ALA A 23 -0.475 1.562 -31.280 1.00 2.13 C ATOM 0 H ALA A 23 -0.177 2.039 -28.877 1.00 43.52 H new ATOM 0 HA ALA A 23 -1.801 3.197 -30.968 1.00 42.12 H new ATOM 0 HB1 ALA A 23 -0.870 1.346 -32.272 1.00 2.13 H new ATOM 0 HB2 ALA A 23 0.402 2.203 -31.370 1.00 2.13 H new ATOM 0 HB3 ALA A 23 -0.194 0.629 -30.790 1.00 2.13 H new ATOM 340 N GLY A 24 -2.998 0.874 -29.132 1.00 32.41 N ATOM 341 CA GLY A 24 -4.170 0.058 -28.861 1.00 52.42 C ATOM 342 C GLY A 24 -4.957 0.607 -27.669 1.00 44.52 C ATOM 343 O GLY A 24 -5.731 -0.116 -27.045 1.00 71.54 O ATOM 0 H GLY A 24 -2.347 0.958 -28.351 1.00 32.41 H new ATOM 0 HA2 GLY A 24 -4.810 0.031 -29.743 1.00 52.42 H new ATOM 0 HA3 GLY A 24 -3.864 -0.968 -28.658 1.00 52.42 H new ATOM 347 N ILE A 25 -4.731 1.882 -27.389 1.00 4.44 N ATOM 348 CA ILE A 25 -5.408 2.537 -26.282 1.00 74.15 C ATOM 349 C ILE A 25 -5.715 3.987 -26.664 1.00 21.43 C ATOM 350 O ILE A 25 -6.856 4.433 -26.555 1.00 61.21 O ATOM 351 CB ILE A 25 -4.591 2.399 -24.996 1.00 72.13 C ATOM 352 CG1 ILE A 25 -4.784 1.016 -24.370 1.00 12.42 C ATOM 353 CG2 ILE A 25 -4.921 3.525 -24.014 1.00 21.52 C ATOM 354 CD1 ILE A 25 -3.529 0.158 -24.537 1.00 44.43 C ATOM 0 H ILE A 25 -4.089 2.479 -27.909 1.00 4.44 H new ATOM 0 HA ILE A 25 -6.362 2.052 -26.078 1.00 74.15 H new ATOM 0 HB ILE A 25 -3.535 2.493 -25.249 1.00 72.13 H new ATOM 0 HG12 ILE A 25 -5.018 1.122 -23.311 1.00 12.42 H new ATOM 0 HG13 ILE A 25 -5.634 0.518 -24.836 1.00 12.42 H new ATOM 0 HG21 ILE A 25 -4.327 3.404 -23.108 1.00 21.52 H new ATOM 0 HG22 ILE A 25 -4.691 4.487 -24.473 1.00 21.52 H new ATOM 0 HG23 ILE A 25 -5.980 3.488 -23.761 1.00 21.52 H new ATOM 0 HD11 ILE A 25 -3.693 -0.819 -24.083 1.00 44.43 H new ATOM 0 HD12 ILE A 25 -3.312 0.034 -25.598 1.00 44.43 H new ATOM 0 HD13 ILE A 25 -2.686 0.647 -24.049 1.00 44.43 H new ATOM 366 N ARG A 26 -4.676 4.682 -27.103 1.00 21.24 N ATOM 367 CA ARG A 26 -4.820 6.072 -27.501 1.00 23.24 C ATOM 368 C ARG A 26 -5.613 6.171 -28.805 1.00 13.10 C ATOM 369 O ARG A 26 -6.438 7.069 -28.967 1.00 34.11 O ATOM 370 CB ARG A 26 -3.454 6.734 -27.691 1.00 2.40 C ATOM 371 CG ARG A 26 -3.548 8.250 -27.500 1.00 71.54 C ATOM 372 CD ARG A 26 -4.150 8.594 -26.136 1.00 43.24 C ATOM 373 NE ARG A 26 -3.474 9.784 -25.571 1.00 74.34 N ATOM 374 CZ ARG A 26 -2.282 9.748 -24.939 1.00 12.20 C ATOM 375 NH1 ARG A 26 -1.623 8.580 -24.785 1.00 43.33 N ATOM 376 NH2 ARG A 26 -1.771 10.872 -24.473 1.00 12.51 N ATOM 0 H ARG A 26 -3.731 4.309 -27.192 1.00 21.24 H new ATOM 0 HA ARG A 26 -5.355 6.591 -26.706 1.00 23.24 H new ATOM 0 HB2 ARG A 26 -2.742 6.318 -26.979 1.00 2.40 H new ATOM 0 HB3 ARG A 26 -3.074 6.512 -28.688 1.00 2.40 H new ATOM 0 HG2 ARG A 26 -2.556 8.693 -27.586 1.00 71.54 H new ATOM 0 HG3 ARG A 26 -4.160 8.683 -28.291 1.00 71.54 H new ATOM 0 HD2 ARG A 26 -5.218 8.786 -26.238 1.00 43.24 H new ATOM 0 HD3 ARG A 26 -4.042 7.748 -25.458 1.00 43.24 H new ATOM 0 HE ARG A 26 -3.938 10.687 -25.665 1.00 74.34 H new ATOM 0 HH11 ARG A 26 -2.025 7.716 -25.148 1.00 43.33 H new ATOM 0 HH12 ARG A 26 -0.723 8.562 -24.306 1.00 43.33 H new ATOM 0 HH21 ARG A 26 -2.276 11.750 -24.593 1.00 12.51 H new ATOM 0 HH22 ARG A 26 -0.871 10.863 -23.993 1.00 12.51 H new ATOM 389 N GLY A 27 -5.336 5.236 -29.702 1.00 3.31 N ATOM 390 CA GLY A 27 -6.013 5.207 -30.987 1.00 14.31 C ATOM 391 C GLY A 27 -7.498 4.878 -30.817 1.00 1.14 C ATOM 392 O GLY A 27 -8.349 5.478 -31.471 1.00 74.31 O ATOM 0 H GLY A 27 -4.651 4.493 -29.564 1.00 3.31 H new ATOM 0 HA2 GLY A 27 -5.905 6.173 -31.481 1.00 14.31 H new ATOM 0 HA3 GLY A 27 -5.544 4.465 -31.633 1.00 14.31 H new ATOM 396 N ILE A 28 -7.763 3.926 -29.934 1.00 44.01 N ATOM 397 CA ILE A 28 -9.129 3.510 -29.669 1.00 74.15 C ATOM 398 C ILE A 28 -9.805 4.540 -28.762 1.00 51.34 C ATOM 399 O ILE A 28 -11.030 4.571 -28.657 1.00 32.12 O ATOM 400 CB ILE A 28 -9.157 2.086 -29.110 1.00 52.11 C ATOM 401 CG1 ILE A 28 -9.029 2.093 -27.585 1.00 54.34 C ATOM 402 CG2 ILE A 28 -8.086 1.216 -29.771 1.00 41.41 C ATOM 403 CD1 ILE A 28 -10.407 2.123 -26.920 1.00 3.51 C ATOM 0 H ILE A 28 -7.054 3.431 -29.393 1.00 44.01 H new ATOM 0 HA ILE A 28 -9.703 3.475 -30.595 1.00 74.15 H new ATOM 0 HB ILE A 28 -10.124 1.644 -29.350 1.00 52.11 H new ATOM 0 HG12 ILE A 28 -8.483 1.208 -27.258 1.00 54.34 H new ATOM 0 HG13 ILE A 28 -8.450 2.960 -27.269 1.00 54.34 H new ATOM 0 HG21 ILE A 28 -8.128 0.209 -29.356 1.00 41.41 H new ATOM 0 HG22 ILE A 28 -8.264 1.173 -30.845 1.00 41.41 H new ATOM 0 HG23 ILE A 28 -7.102 1.645 -29.584 1.00 41.41 H new ATOM 0 HD11 ILE A 28 -10.288 2.127 -25.837 1.00 3.51 H new ATOM 0 HD12 ILE A 28 -10.941 3.021 -27.230 1.00 3.51 H new ATOM 0 HD13 ILE A 28 -10.975 1.242 -27.219 1.00 3.51 H new ATOM 415 N LEU A 29 -8.977 5.359 -28.131 1.00 23.11 N ATOM 416 CA LEU A 29 -9.479 6.388 -27.236 1.00 62.02 C ATOM 417 C LEU A 29 -10.386 7.340 -28.019 1.00 20.33 C ATOM 418 O LEU A 29 -11.334 7.895 -27.465 1.00 43.12 O ATOM 419 CB LEU A 29 -8.321 7.089 -26.523 1.00 11.30 C ATOM 420 CG LEU A 29 -8.335 7.022 -24.994 1.00 74.35 C ATOM 421 CD1 LEU A 29 -9.583 7.702 -24.427 1.00 42.13 C ATOM 422 CD2 LEU A 29 -8.199 5.577 -24.508 1.00 51.52 C ATOM 0 H LEU A 29 -7.961 5.331 -28.222 1.00 23.11 H new ATOM 0 HA LEU A 29 -10.087 5.944 -26.447 1.00 62.02 H new ATOM 0 HB2 LEU A 29 -7.386 6.655 -26.877 1.00 11.30 H new ATOM 0 HB3 LEU A 29 -8.318 8.138 -26.821 1.00 11.30 H new ATOM 0 HG LEU A 29 -7.471 7.571 -24.620 1.00 74.35 H new ATOM 0 HD11 LEU A 29 -9.568 7.640 -23.339 1.00 42.13 H new ATOM 0 HD12 LEU A 29 -9.597 8.749 -24.731 1.00 42.13 H new ATOM 0 HD13 LEU A 29 -10.474 7.202 -24.807 1.00 42.13 H new ATOM 0 HD21 LEU A 29 -8.212 5.557 -23.418 1.00 51.52 H new ATOM 0 HD22 LEU A 29 -9.030 4.984 -24.892 1.00 51.52 H new ATOM 0 HD23 LEU A 29 -7.259 5.159 -24.868 1.00 51.52 H new ATOM 434 N LYS A 30 -10.064 7.499 -29.294 1.00 24.41 N ATOM 435 CA LYS A 30 -10.838 8.374 -30.158 1.00 64.51 C ATOM 436 C LYS A 30 -12.249 7.805 -30.320 1.00 10.35 C ATOM 437 O LYS A 30 -13.141 8.484 -30.825 1.00 53.24 O ATOM 438 CB LYS A 30 -10.109 8.597 -31.485 1.00 13.21 C ATOM 439 CG LYS A 30 -10.110 7.323 -32.333 1.00 14.45 C ATOM 440 CD LYS A 30 -11.189 7.386 -33.416 1.00 13.54 C ATOM 441 CE LYS A 30 -10.572 7.657 -34.789 1.00 70.22 C ATOM 442 NZ LYS A 30 -11.307 6.920 -35.842 1.00 22.24 N ATOM 0 H LYS A 30 -9.277 7.037 -29.750 1.00 24.41 H new ATOM 0 HA LYS A 30 -10.941 9.361 -29.707 1.00 64.51 H new ATOM 0 HB2 LYS A 30 -10.589 9.405 -32.036 1.00 13.21 H new ATOM 0 HB3 LYS A 30 -9.083 8.909 -31.292 1.00 13.21 H new ATOM 0 HG2 LYS A 30 -9.132 7.189 -32.796 1.00 14.45 H new ATOM 0 HG3 LYS A 30 -10.281 6.457 -31.694 1.00 14.45 H new ATOM 0 HD2 LYS A 30 -11.740 6.446 -33.440 1.00 13.54 H new ATOM 0 HD3 LYS A 30 -11.906 8.170 -33.174 1.00 13.54 H new ATOM 0 HE2 LYS A 30 -10.596 8.726 -35.001 1.00 70.22 H new ATOM 0 HE3 LYS A 30 -9.524 7.356 -34.790 1.00 70.22 H new ATOM 0 HZ1 LYS A 30 -10.875 7.115 -36.768 1.00 22.24 H new ATOM 0 HZ2 LYS A 30 -11.262 5.899 -35.647 1.00 22.24 H new ATOM 0 HZ3 LYS A 30 -12.301 7.227 -35.852 1.00 22.24 H new ATOM 455 N SER A 31 -12.407 6.565 -29.880 1.00 50.41 N ATOM 456 CA SER A 31 -13.695 5.898 -29.969 1.00 43.15 C ATOM 457 C SER A 31 -14.417 5.973 -28.623 1.00 33.31 C ATOM 458 O SER A 31 -15.602 5.653 -28.531 1.00 45.02 O ATOM 459 CB SER A 31 -13.531 4.440 -30.404 1.00 4.32 C ATOM 460 OG SER A 31 -14.235 4.160 -31.611 1.00 1.35 O ATOM 0 H SER A 31 -11.665 6.005 -29.461 1.00 50.41 H new ATOM 0 HA SER A 31 -14.294 6.409 -30.723 1.00 43.15 H new ATOM 0 HB2 SER A 31 -12.472 4.220 -30.542 1.00 4.32 H new ATOM 0 HB3 SER A 31 -13.892 3.783 -29.613 1.00 4.32 H new ATOM 0 HG SER A 31 -14.104 3.220 -31.856 1.00 1.35 H new ATOM 466 N ILE A 32 -13.674 6.397 -27.611 1.00 60.44 N ATOM 467 CA ILE A 32 -14.229 6.517 -26.274 1.00 1.21 C ATOM 468 C ILE A 32 -14.592 7.979 -26.007 1.00 5.42 C ATOM 469 O ILE A 32 -15.626 8.266 -25.407 1.00 53.51 O ATOM 470 CB ILE A 32 -13.270 5.923 -25.240 1.00 60.24 C ATOM 471 CG1 ILE A 32 -12.430 4.801 -25.854 1.00 22.44 C ATOM 472 CG2 ILE A 32 -14.026 5.457 -23.995 1.00 14.34 C ATOM 473 CD1 ILE A 32 -13.304 3.601 -26.225 1.00 12.24 C ATOM 0 H ILE A 32 -12.692 6.662 -27.691 1.00 60.44 H new ATOM 0 HA ILE A 32 -15.149 5.939 -26.190 1.00 1.21 H new ATOM 0 HB ILE A 32 -12.581 6.706 -24.923 1.00 60.24 H new ATOM 0 HG12 ILE A 32 -11.917 5.170 -26.742 1.00 22.44 H new ATOM 0 HG13 ILE A 32 -11.660 4.490 -25.148 1.00 22.44 H new ATOM 0 HG21 ILE A 32 -13.321 5.039 -23.276 1.00 14.34 H new ATOM 0 HG22 ILE A 32 -14.543 6.304 -23.545 1.00 14.34 H new ATOM 0 HG23 ILE A 32 -14.753 4.695 -24.275 1.00 14.34 H new ATOM 0 HD11 ILE A 32 -12.682 2.818 -26.659 1.00 12.24 H new ATOM 0 HD12 ILE A 32 -13.796 3.219 -25.331 1.00 12.24 H new ATOM 0 HD13 ILE A 32 -14.057 3.910 -26.950 1.00 12.24 H new ATOM 485 N ARG A 33 -13.719 8.865 -26.465 1.00 55.32 N ATOM 486 CA ARG A 33 -13.935 10.291 -26.283 1.00 61.34 C ATOM 487 C ARG A 33 -13.898 10.648 -24.796 1.00 71.40 C ATOM 488 O ARG A 33 -13.037 10.169 -24.060 1.00 64.33 O ATOM 489 CB ARG A 33 -15.279 10.724 -26.872 1.00 11.03 C ATOM 490 CG ARG A 33 -15.121 11.179 -28.324 1.00 1.21 C ATOM 491 CD ARG A 33 -16.483 11.465 -28.960 1.00 63.55 C ATOM 492 NE ARG A 33 -16.384 11.365 -30.434 1.00 25.43 N ATOM 493 CZ ARG A 33 -17.208 12.001 -31.293 1.00 3.23 C ATOM 494 NH1 ARG A 33 -18.201 12.791 -30.831 1.00 61.34 N ATOM 495 NH2 ARG A 33 -17.028 11.840 -32.590 1.00 41.25 N ATOM 0 H ARG A 33 -12.861 8.623 -26.961 1.00 55.32 H new ATOM 0 HA ARG A 33 -13.136 10.817 -26.806 1.00 61.34 H new ATOM 0 HB2 ARG A 33 -15.986 9.896 -26.822 1.00 11.03 H new ATOM 0 HB3 ARG A 33 -15.696 11.536 -26.276 1.00 11.03 H new ATOM 0 HG2 ARG A 33 -14.502 12.075 -28.363 1.00 1.21 H new ATOM 0 HG3 ARG A 33 -14.603 10.409 -28.896 1.00 1.21 H new ATOM 0 HD2 ARG A 33 -17.223 10.757 -28.588 1.00 63.55 H new ATOM 0 HD3 ARG A 33 -16.824 12.461 -28.677 1.00 63.55 H new ATOM 0 HE ARG A 33 -15.647 10.779 -30.825 1.00 25.43 H new ATOM 0 HH11 ARG A 33 -18.332 12.910 -29.827 1.00 61.34 H new ATOM 0 HH12 ARG A 33 -18.820 13.268 -31.486 1.00 61.34 H new ATOM 0 HH21 ARG A 33 -16.275 11.242 -32.930 1.00 41.25 H new ATOM 0 HH22 ARG A 33 -17.642 12.314 -33.253 1.00 41.25 H new TER 508 ARG A 33