USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -4.43! K(o=-4.4!,f=-2.7) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -4.89! C(o=-4.9!,f=-7.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-0.79) USER MOD Single : A 21 SER OG : rot 75:sc= 1.3 USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= -0.147 (180deg=-1.16) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.159 1.431 3.493 1.00 44.25 N ATOM 2 CA PHE A 1 5.836 1.263 2.218 1.00 51.24 C ATOM 3 C PHE A 1 7.143 2.058 2.182 1.00 71.15 C ATOM 4 O PHE A 1 7.451 2.795 3.116 1.00 1.45 O ATOM 5 CB PHE A 1 4.895 1.802 1.138 1.00 64.12 C ATOM 6 CG PHE A 1 4.429 0.745 0.135 1.00 62.32 C ATOM 7 CD1 PHE A 1 5.294 -0.213 -0.294 1.00 73.54 C ATOM 8 CD2 PHE A 1 3.150 0.763 -0.327 1.00 42.14 C ATOM 9 CE1 PHE A 1 4.861 -1.195 -1.225 1.00 50.32 C ATOM 10 CE2 PHE A 1 2.718 -0.218 -1.258 1.00 74.12 C ATOM 11 CZ PHE A 1 3.582 -1.176 -1.687 1.00 60.34 C ATOM 0 H1 PHE A 1 4.276 0.882 3.492 1.00 44.25 H new ATOM 0 H2 PHE A 1 5.775 1.094 4.260 1.00 44.25 H new ATOM 0 H3 PHE A 1 4.941 2.437 3.640 1.00 44.25 H new ATOM 0 HA PHE A 1 6.077 0.212 2.060 1.00 51.24 H new ATOM 0 HB2 PHE A 1 4.021 2.242 1.619 1.00 64.12 H new ATOM 0 HB3 PHE A 1 5.399 2.603 0.598 1.00 64.12 H new ATOM 0 HD1 PHE A 1 6.310 -0.227 0.073 1.00 73.54 H new ATOM 0 HD2 PHE A 1 2.463 1.523 0.014 1.00 42.14 H new ATOM 0 HE1 PHE A 1 5.547 -1.956 -1.566 1.00 50.32 H new ATOM 0 HE2 PHE A 1 1.703 -0.203 -1.626 1.00 74.12 H new ATOM 0 HZ PHE A 1 3.253 -1.922 -2.395 1.00 60.34 H new ATOM 21 N ASN A 2 7.876 1.881 1.092 1.00 22.54 N ATOM 22 CA ASN A 2 9.143 2.572 0.922 1.00 32.12 C ATOM 23 C ASN A 2 9.294 2.998 -0.539 1.00 53.53 C ATOM 24 O ASN A 2 9.583 4.159 -0.824 1.00 44.51 O ATOM 25 CB ASN A 2 10.320 1.659 1.272 1.00 12.22 C ATOM 26 CG ASN A 2 10.190 0.304 0.574 1.00 55.23 C ATOM 27 OD1 ASN A 2 9.567 -0.621 1.068 1.00 33.04 O ATOM 28 ND2 ASN A 2 10.810 0.239 -0.601 1.00 2.13 N ATOM 0 H ASN A 2 7.617 1.269 0.318 1.00 22.54 H new ATOM 0 HA ASN A 2 9.147 3.436 1.586 1.00 32.12 H new ATOM 0 HB2 ASN A 2 11.255 2.136 0.977 1.00 12.22 H new ATOM 0 HB3 ASN A 2 10.363 1.513 2.351 1.00 12.22 H new ATOM 0 HD21 ASN A 2 10.781 -0.623 -1.146 1.00 2.13 H new ATOM 0 HD22 ASN A 2 11.314 1.051 -0.957 1.00 2.13 H new ATOM 35 N ARG A 3 9.090 2.036 -1.427 1.00 45.43 N ATOM 36 CA ARG A 3 9.200 2.298 -2.852 1.00 63.24 C ATOM 37 C ARG A 3 8.086 3.243 -3.306 1.00 41.10 C ATOM 38 O ARG A 3 8.160 3.820 -4.390 1.00 35.20 O ATOM 39 CB ARG A 3 9.118 1.000 -3.658 1.00 62.13 C ATOM 40 CG ARG A 3 7.949 0.134 -3.186 1.00 14.04 C ATOM 41 CD ARG A 3 8.450 -1.115 -2.458 1.00 62.35 C ATOM 42 NE ARG A 3 9.499 -1.782 -3.262 1.00 50.12 N ATOM 43 CZ ARG A 3 9.248 -2.681 -4.237 1.00 61.23 C ATOM 44 NH1 ARG A 3 7.979 -3.030 -4.538 1.00 40.41 N ATOM 45 NH2 ARG A 3 10.262 -3.215 -4.892 1.00 45.11 N ATOM 0 H ARG A 3 8.849 1.074 -1.187 1.00 45.43 H new ATOM 0 HA ARG A 3 10.170 2.763 -3.030 1.00 63.24 H new ATOM 0 HB2 ARG A 3 8.999 1.232 -4.716 1.00 62.13 H new ATOM 0 HB3 ARG A 3 10.051 0.445 -3.556 1.00 62.13 H new ATOM 0 HG2 ARG A 3 7.308 0.713 -2.522 1.00 14.04 H new ATOM 0 HG3 ARG A 3 7.340 -0.159 -4.041 1.00 14.04 H new ATOM 0 HD2 ARG A 3 8.848 -0.842 -1.481 1.00 62.35 H new ATOM 0 HD3 ARG A 3 7.622 -1.802 -2.284 1.00 62.35 H new ATOM 0 HE ARG A 3 10.472 -1.548 -3.067 1.00 50.12 H new ATOM 0 HH11 ARG A 3 7.201 -2.613 -4.027 1.00 40.41 H new ATOM 0 HH12 ARG A 3 7.799 -3.710 -5.276 1.00 40.41 H new ATOM 0 HH21 ARG A 3 11.218 -2.947 -4.658 1.00 45.11 H new ATOM 0 HH22 ARG A 3 10.090 -3.896 -5.632 1.00 45.11 H new ATOM 58 N GLY A 4 7.080 3.373 -2.454 1.00 20.33 N ATOM 59 CA GLY A 4 5.952 4.238 -2.753 1.00 50.24 C ATOM 60 C GLY A 4 4.870 3.481 -3.527 1.00 4.31 C ATOM 61 O GLY A 4 3.680 3.667 -3.279 1.00 40.34 O ATOM 0 H GLY A 4 7.023 2.893 -1.556 1.00 20.33 H new ATOM 0 HA2 GLY A 4 5.534 4.630 -1.826 1.00 50.24 H new ATOM 0 HA3 GLY A 4 6.290 5.094 -3.337 1.00 50.24 H new ATOM 65 N GLY A 5 5.323 2.644 -4.448 1.00 64.41 N ATOM 66 CA GLY A 5 4.409 1.858 -5.259 1.00 63.25 C ATOM 67 C GLY A 5 4.538 2.223 -6.740 1.00 32.22 C ATOM 68 O GLY A 5 4.314 1.384 -7.611 1.00 53.23 O ATOM 0 H GLY A 5 6.311 2.493 -4.651 1.00 64.41 H new ATOM 0 HA2 GLY A 5 4.617 0.797 -5.123 1.00 63.25 H new ATOM 0 HA3 GLY A 5 3.385 2.027 -4.927 1.00 63.25 H new ATOM 72 N TYR A 6 4.898 3.475 -6.978 1.00 42.25 N ATOM 73 CA TYR A 6 5.059 3.961 -8.338 1.00 43.42 C ATOM 74 C TYR A 6 6.409 3.533 -8.918 1.00 31.43 C ATOM 75 O TYR A 6 6.592 3.524 -10.134 1.00 53.00 O ATOM 76 CB TYR A 6 5.019 5.488 -8.248 1.00 15.13 C ATOM 77 CG TYR A 6 6.303 6.114 -7.701 1.00 23.40 C ATOM 78 CD1 TYR A 6 6.483 6.241 -6.339 1.00 24.14 C ATOM 79 CD2 TYR A 6 7.282 6.550 -8.570 1.00 44.52 C ATOM 80 CE1 TYR A 6 7.693 6.830 -5.824 1.00 74.51 C ATOM 81 CE2 TYR A 6 8.492 7.139 -8.056 1.00 14.24 C ATOM 82 CZ TYR A 6 8.637 7.250 -6.708 1.00 30.31 C ATOM 83 OH TYR A 6 9.779 7.806 -6.222 1.00 21.40 O ATOM 0 H TYR A 6 5.083 4.168 -6.253 1.00 42.25 H new ATOM 0 HA TYR A 6 4.278 3.559 -8.983 1.00 43.42 H new ATOM 0 HB2 TYR A 6 4.823 5.895 -9.240 1.00 15.13 H new ATOM 0 HB3 TYR A 6 4.184 5.782 -7.612 1.00 15.13 H new ATOM 0 HD1 TYR A 6 5.717 5.899 -5.659 1.00 24.14 H new ATOM 0 HD2 TYR A 6 7.141 6.450 -9.636 1.00 44.52 H new ATOM 0 HE1 TYR A 6 7.847 6.935 -4.760 1.00 74.51 H new ATOM 0 HE2 TYR A 6 9.266 7.484 -8.725 1.00 14.24 H new ATOM 0 HH TYR A 6 10.363 8.058 -6.967 1.00 21.40 H new ATOM 93 N ASN A 7 7.320 3.187 -8.019 1.00 54.25 N ATOM 94 CA ASN A 7 8.647 2.758 -8.426 1.00 50.42 C ATOM 95 C ASN A 7 9.125 3.628 -9.591 1.00 14.12 C ATOM 96 O ASN A 7 8.695 4.772 -9.733 1.00 3.13 O ATOM 97 CB ASN A 7 8.635 1.303 -8.897 1.00 63.31 C ATOM 98 CG ASN A 7 9.863 0.550 -8.382 1.00 24.25 C ATOM 99 OD1 ASN A 7 10.872 0.419 -9.056 1.00 11.34 O ATOM 100 ND2 ASN A 7 9.723 0.063 -7.152 1.00 13.22 N ATOM 0 H ASN A 7 7.165 3.195 -7.011 1.00 54.25 H new ATOM 0 HA ASN A 7 9.310 2.853 -7.566 1.00 50.42 H new ATOM 0 HB2 ASN A 7 7.728 0.811 -8.545 1.00 63.31 H new ATOM 0 HB3 ASN A 7 8.614 1.270 -9.986 1.00 63.31 H new ATOM 0 HD21 ASN A 7 10.487 -0.456 -6.719 1.00 13.22 H new ATOM 0 HD22 ASN A 7 8.852 0.208 -6.642 1.00 13.22 H new ATOM 107 N PHE A 8 10.007 3.052 -10.395 1.00 14.54 N ATOM 108 CA PHE A 8 10.547 3.761 -11.542 1.00 63.13 C ATOM 109 C PHE A 8 11.322 2.811 -12.458 1.00 73.21 C ATOM 110 O PHE A 8 12.324 3.199 -13.056 1.00 61.11 O ATOM 111 CB PHE A 8 11.506 4.823 -11.001 1.00 41.22 C ATOM 112 CG PHE A 8 12.242 4.406 -9.726 1.00 34.10 C ATOM 113 CD1 PHE A 8 12.789 3.164 -9.632 1.00 14.31 C ATOM 114 CD2 PHE A 8 12.348 5.277 -8.687 1.00 22.53 C ATOM 115 CE1 PHE A 8 13.471 2.777 -8.448 1.00 40.04 C ATOM 116 CE2 PHE A 8 13.031 4.889 -7.503 1.00 54.21 C ATOM 117 CZ PHE A 8 13.578 3.648 -7.409 1.00 73.40 C ATOM 0 H PHE A 8 10.361 2.103 -10.275 1.00 14.54 H new ATOM 0 HA PHE A 8 9.736 4.202 -12.122 1.00 63.13 H new ATOM 0 HB2 PHE A 8 12.240 5.061 -11.771 1.00 41.22 H new ATOM 0 HB3 PHE A 8 10.945 5.736 -10.802 1.00 41.22 H new ATOM 0 HD1 PHE A 8 12.705 2.473 -10.457 1.00 14.31 H new ATOM 0 HD2 PHE A 8 11.913 6.263 -8.762 1.00 22.53 H new ATOM 0 HE1 PHE A 8 13.905 1.791 -8.373 1.00 40.04 H new ATOM 0 HE2 PHE A 8 13.116 5.580 -6.677 1.00 54.21 H new ATOM 0 HZ PHE A 8 14.098 3.354 -6.509 1.00 73.40 H new ATOM 127 N GLY A 9 10.827 1.584 -12.539 1.00 45.20 N ATOM 128 CA GLY A 9 11.461 0.576 -13.372 1.00 35.32 C ATOM 129 C GLY A 9 10.441 -0.462 -13.846 1.00 64.24 C ATOM 130 O GLY A 9 10.308 -0.703 -15.045 1.00 72.31 O ATOM 0 H GLY A 9 9.995 1.266 -12.042 1.00 45.20 H new ATOM 0 HA2 GLY A 9 11.928 1.052 -14.234 1.00 35.32 H new ATOM 0 HA3 GLY A 9 12.255 0.082 -12.811 1.00 35.32 H new ATOM 134 N LYS A 10 9.749 -1.049 -12.881 1.00 53.32 N ATOM 135 CA LYS A 10 8.746 -2.055 -13.185 1.00 72.23 C ATOM 136 C LYS A 10 7.598 -1.407 -13.962 1.00 41.20 C ATOM 137 O LYS A 10 7.253 -1.854 -15.055 1.00 11.22 O ATOM 138 CB LYS A 10 8.298 -2.768 -11.908 1.00 21.51 C ATOM 139 CG LYS A 10 9.443 -2.853 -10.897 1.00 4.21 C ATOM 140 CD LYS A 10 9.230 -1.870 -9.744 1.00 21.35 C ATOM 141 CE LYS A 10 8.039 -2.290 -8.879 1.00 43.33 C ATOM 142 NZ LYS A 10 8.423 -3.391 -7.967 1.00 51.54 N ATOM 0 H LYS A 10 9.863 -0.847 -11.888 1.00 53.32 H new ATOM 0 HA LYS A 10 9.167 -2.830 -13.825 1.00 72.23 H new ATOM 0 HB2 LYS A 10 7.456 -2.235 -11.466 1.00 21.51 H new ATOM 0 HB3 LYS A 10 7.948 -3.771 -12.151 1.00 21.51 H new ATOM 0 HG2 LYS A 10 9.513 -3.868 -10.506 1.00 4.21 H new ATOM 0 HG3 LYS A 10 10.389 -2.637 -11.394 1.00 4.21 H new ATOM 0 HD2 LYS A 10 10.130 -1.822 -9.131 1.00 21.35 H new ATOM 0 HD3 LYS A 10 9.061 -0.869 -10.141 1.00 21.35 H new ATOM 0 HE2 LYS A 10 7.684 -1.437 -8.300 1.00 43.33 H new ATOM 0 HE3 LYS A 10 7.214 -2.609 -9.516 1.00 43.33 H new ATOM 0 HZ1 LYS A 10 7.604 -3.664 -7.388 1.00 51.54 H new ATOM 0 HZ2 LYS A 10 8.740 -4.209 -8.525 1.00 51.54 H new ATOM 0 HZ3 LYS A 10 9.196 -3.075 -7.347 1.00 51.54 H new ATOM 155 N SER A 11 7.039 -0.363 -13.367 1.00 74.44 N ATOM 156 CA SER A 11 5.937 0.351 -13.990 1.00 30.02 C ATOM 157 C SER A 11 6.325 0.780 -15.406 1.00 63.13 C ATOM 158 O SER A 11 5.479 0.831 -16.297 1.00 52.42 O ATOM 159 CB SER A 11 5.531 1.570 -13.159 1.00 22.33 C ATOM 160 OG SER A 11 4.128 1.814 -13.218 1.00 64.54 O ATOM 0 H SER A 11 7.328 0.005 -12.461 1.00 74.44 H new ATOM 0 HA SER A 11 5.081 -0.321 -14.043 1.00 30.02 H new ATOM 0 HB2 SER A 11 5.829 1.417 -12.122 1.00 22.33 H new ATOM 0 HB3 SER A 11 6.067 2.448 -13.518 1.00 22.33 H new ATOM 0 HG SER A 11 3.909 2.599 -12.673 1.00 64.54 H new ATOM 166 N VAL A 12 7.606 1.077 -15.570 1.00 21.10 N ATOM 167 CA VAL A 12 8.117 1.500 -16.863 1.00 31.22 C ATOM 168 C VAL A 12 7.944 0.363 -17.872 1.00 33.54 C ATOM 169 O VAL A 12 7.701 0.607 -19.052 1.00 74.03 O ATOM 170 CB VAL A 12 9.569 1.962 -16.726 1.00 62.51 C ATOM 171 CG1 VAL A 12 10.317 1.819 -18.053 1.00 62.41 C ATOM 172 CG2 VAL A 12 9.641 3.399 -16.208 1.00 52.42 C ATOM 0 H VAL A 12 8.305 1.033 -14.829 1.00 21.10 H new ATOM 0 HA VAL A 12 7.552 2.354 -17.236 1.00 31.22 H new ATOM 0 HB VAL A 12 10.058 1.318 -15.995 1.00 62.51 H new ATOM 0 HG11 VAL A 12 11.347 2.154 -17.928 1.00 62.41 H new ATOM 0 HG12 VAL A 12 10.311 0.774 -18.364 1.00 62.41 H new ATOM 0 HG13 VAL A 12 9.827 2.427 -18.814 1.00 62.41 H new ATOM 0 HG21 VAL A 12 10.684 3.702 -16.120 1.00 52.42 H new ATOM 0 HG22 VAL A 12 9.128 4.063 -16.904 1.00 52.42 H new ATOM 0 HG23 VAL A 12 9.162 3.458 -15.230 1.00 52.42 H new ATOM 182 N ARG A 13 8.076 -0.856 -17.369 1.00 75.43 N ATOM 183 CA ARG A 13 7.937 -2.032 -18.212 1.00 34.12 C ATOM 184 C ARG A 13 6.488 -2.182 -18.679 1.00 55.24 C ATOM 185 O ARG A 13 6.235 -2.638 -19.793 1.00 60.24 O ATOM 186 CB ARG A 13 8.357 -3.299 -17.464 1.00 2.44 C ATOM 187 CG ARG A 13 9.763 -3.148 -16.878 1.00 15.05 C ATOM 188 CD ARG A 13 10.678 -2.385 -17.837 1.00 71.02 C ATOM 189 NE ARG A 13 10.658 -3.025 -19.172 1.00 1.24 N ATOM 190 CZ ARG A 13 11.205 -4.229 -19.442 1.00 22.12 C ATOM 191 NH1 ARG A 13 11.821 -4.936 -18.470 1.00 12.50 N ATOM 192 NH2 ARG A 13 11.129 -4.705 -20.671 1.00 22.45 N ATOM 0 H ARG A 13 8.278 -1.055 -16.389 1.00 75.43 H new ATOM 0 HA ARG A 13 8.589 -1.900 -19.075 1.00 34.12 H new ATOM 0 HB2 ARG A 13 7.646 -3.506 -16.664 1.00 2.44 H new ATOM 0 HB3 ARG A 13 8.331 -4.152 -18.142 1.00 2.44 H new ATOM 0 HG2 ARG A 13 9.709 -2.621 -15.925 1.00 15.05 H new ATOM 0 HG3 ARG A 13 10.184 -4.133 -16.675 1.00 15.05 H new ATOM 0 HD2 ARG A 13 10.352 -1.348 -17.917 1.00 71.02 H new ATOM 0 HD3 ARG A 13 11.696 -2.370 -17.447 1.00 71.02 H new ATOM 0 HE ARG A 13 10.202 -2.525 -19.935 1.00 1.24 H new ATOM 0 HH11 ARG A 13 11.876 -4.561 -17.523 1.00 12.50 H new ATOM 0 HH12 ARG A 13 12.232 -5.845 -18.683 1.00 12.50 H new ATOM 0 HH21 ARG A 13 10.662 -4.165 -21.399 1.00 22.45 H new ATOM 0 HH22 ARG A 13 11.537 -5.613 -20.892 1.00 22.45 H new ATOM 205 N HIS A 14 5.573 -1.789 -17.805 1.00 4.43 N ATOM 206 CA HIS A 14 4.156 -1.873 -18.114 1.00 62.31 C ATOM 207 C HIS A 14 3.771 -0.743 -19.070 1.00 42.33 C ATOM 208 O HIS A 14 3.032 -0.960 -20.029 1.00 61.21 O ATOM 209 CB HIS A 14 3.320 -1.877 -16.833 1.00 72.10 C ATOM 210 CG HIS A 14 1.972 -1.211 -16.977 1.00 42.15 C ATOM 211 ND1 HIS A 14 0.778 -1.889 -16.803 1.00 3.44 N ATOM 212 CD2 HIS A 14 1.643 0.078 -17.281 1.00 31.54 C ATOM 213 CE1 HIS A 14 -0.218 -1.037 -16.995 1.00 51.01 C ATOM 214 NE2 HIS A 14 0.320 0.181 -17.292 1.00 33.12 N ATOM 0 H HIS A 14 5.786 -1.411 -16.882 1.00 4.43 H new ATOM 0 HA HIS A 14 3.946 -2.816 -18.619 1.00 62.31 H new ATOM 0 HB2 HIS A 14 3.172 -2.908 -16.511 1.00 72.10 H new ATOM 0 HB3 HIS A 14 3.880 -1.374 -16.044 1.00 72.10 H new ATOM 0 HD2 HIS A 14 2.341 0.878 -17.479 1.00 31.54 H new ATOM 0 HE1 HIS A 14 -1.271 -1.266 -16.928 1.00 51.01 H new ATOM 0 HE2 HIS A 14 -0.208 1.031 -17.490 1.00 33.12 H new ATOM 222 N VAL A 15 4.290 0.440 -18.776 1.00 12.42 N ATOM 223 CA VAL A 15 4.010 1.606 -19.597 1.00 72.23 C ATOM 224 C VAL A 15 4.669 1.429 -20.967 1.00 13.32 C ATOM 225 O VAL A 15 4.126 1.865 -21.981 1.00 65.13 O ATOM 226 CB VAL A 15 4.463 2.876 -18.875 1.00 51.31 C ATOM 227 CG1 VAL A 15 5.885 3.262 -19.285 1.00 45.22 C ATOM 228 CG2 VAL A 15 3.488 4.028 -19.128 1.00 32.12 C ATOM 0 H VAL A 15 4.903 0.616 -17.980 1.00 12.42 H new ATOM 0 HA VAL A 15 2.937 1.708 -19.762 1.00 72.23 H new ATOM 0 HB VAL A 15 4.467 2.669 -17.805 1.00 51.31 H new ATOM 0 HG11 VAL A 15 6.183 4.168 -18.757 1.00 45.22 H new ATOM 0 HG12 VAL A 15 6.569 2.453 -19.031 1.00 45.22 H new ATOM 0 HG13 VAL A 15 5.918 3.441 -20.360 1.00 45.22 H new ATOM 0 HG21 VAL A 15 3.833 4.919 -18.603 1.00 32.12 H new ATOM 0 HG22 VAL A 15 3.437 4.233 -20.197 1.00 32.12 H new ATOM 0 HG23 VAL A 15 2.498 3.753 -18.764 1.00 32.12 H new ATOM 238 N VAL A 16 5.829 0.790 -20.952 1.00 32.43 N ATOM 239 CA VAL A 16 6.567 0.550 -22.180 1.00 5.11 C ATOM 240 C VAL A 16 5.661 -0.166 -23.183 1.00 65.24 C ATOM 241 O VAL A 16 5.647 0.174 -24.365 1.00 42.13 O ATOM 242 CB VAL A 16 7.852 -0.224 -21.876 1.00 11.34 C ATOM 243 CG1 VAL A 16 8.335 -0.990 -23.109 1.00 5.25 C ATOM 244 CG2 VAL A 16 8.943 0.710 -21.348 1.00 14.34 C ATOM 0 H VAL A 16 6.276 0.431 -20.109 1.00 32.43 H new ATOM 0 HA VAL A 16 6.871 1.494 -22.633 1.00 5.11 H new ATOM 0 HB VAL A 16 7.628 -0.952 -21.096 1.00 11.34 H new ATOM 0 HG11 VAL A 16 9.249 -1.531 -22.866 1.00 5.25 H new ATOM 0 HG12 VAL A 16 7.567 -1.697 -23.422 1.00 5.25 H new ATOM 0 HG13 VAL A 16 8.533 -0.288 -23.919 1.00 5.25 H new ATOM 0 HG21 VAL A 16 9.845 0.135 -21.140 1.00 14.34 H new ATOM 0 HG22 VAL A 16 9.163 1.472 -22.096 1.00 14.34 H new ATOM 0 HG23 VAL A 16 8.599 1.190 -20.432 1.00 14.34 H new ATOM 254 N ASP A 17 4.927 -1.145 -22.675 1.00 62.14 N ATOM 255 CA ASP A 17 4.021 -1.912 -23.512 1.00 74.35 C ATOM 256 C ASP A 17 2.912 -0.994 -24.031 1.00 31.20 C ATOM 257 O ASP A 17 2.334 -1.248 -25.087 1.00 44.41 O ATOM 258 CB ASP A 17 3.365 -3.045 -22.720 1.00 55.30 C ATOM 259 CG ASP A 17 2.733 -4.148 -23.571 1.00 61.22 C ATOM 260 OD1 ASP A 17 3.138 -4.379 -24.720 1.00 61.22 O ATOM 261 OD2 ASP A 17 1.773 -4.794 -23.001 1.00 54.14 O ATOM 0 H ASP A 17 4.941 -1.425 -21.694 1.00 62.14 H new ATOM 0 HA ASP A 17 4.598 -2.334 -24.335 1.00 74.35 H new ATOM 0 HB2 ASP A 17 4.115 -3.494 -22.069 1.00 55.30 H new ATOM 0 HB3 ASP A 17 2.596 -2.619 -22.075 1.00 55.30 H new ATOM 267 N ALA A 18 2.648 0.053 -23.264 1.00 10.31 N ATOM 268 CA ALA A 18 1.619 1.011 -23.633 1.00 32.44 C ATOM 269 C ALA A 18 2.104 1.842 -24.821 1.00 43.35 C ATOM 270 O ALA A 18 1.306 2.259 -25.659 1.00 50.41 O ATOM 271 CB ALA A 18 1.268 1.876 -22.420 1.00 61.43 C ATOM 0 H ALA A 18 3.129 0.259 -22.388 1.00 10.31 H new ATOM 0 HA ALA A 18 0.709 0.497 -23.941 1.00 32.44 H new ATOM 0 HB1 ALA A 18 0.496 2.594 -22.697 1.00 61.43 H new ATOM 0 HB2 ALA A 18 0.900 1.241 -21.614 1.00 61.43 H new ATOM 0 HB3 ALA A 18 2.157 2.410 -22.084 1.00 61.43 H new ATOM 277 N ILE A 19 3.411 2.058 -24.857 1.00 50.52 N ATOM 278 CA ILE A 19 4.012 2.833 -25.930 1.00 24.24 C ATOM 279 C ILE A 19 3.752 2.134 -27.266 1.00 11.05 C ATOM 280 O ILE A 19 3.691 2.783 -28.308 1.00 43.44 O ATOM 281 CB ILE A 19 5.495 3.082 -25.645 1.00 31.35 C ATOM 282 CG1 ILE A 19 5.692 3.685 -24.252 1.00 53.55 C ATOM 283 CG2 ILE A 19 6.126 3.945 -26.738 1.00 41.34 C ATOM 284 CD1 ILE A 19 4.614 4.729 -23.950 1.00 63.11 C ATOM 0 H ILE A 19 4.070 1.710 -24.161 1.00 50.52 H new ATOM 0 HA ILE A 19 3.552 3.819 -25.991 1.00 24.24 H new ATOM 0 HB ILE A 19 6.011 2.122 -25.656 1.00 31.35 H new ATOM 0 HG12 ILE A 19 5.659 2.895 -23.502 1.00 53.55 H new ATOM 0 HG13 ILE A 19 6.678 4.145 -24.187 1.00 53.55 H new ATOM 0 HG21 ILE A 19 7.180 4.107 -26.511 1.00 41.34 H new ATOM 0 HG22 ILE A 19 6.035 3.439 -27.699 1.00 41.34 H new ATOM 0 HG23 ILE A 19 5.613 4.906 -26.784 1.00 41.34 H new ATOM 0 HD11 ILE A 19 4.776 5.142 -22.955 1.00 63.11 H new ATOM 0 HD12 ILE A 19 4.666 5.529 -24.688 1.00 63.11 H new ATOM 0 HD13 ILE A 19 3.631 4.260 -23.992 1.00 63.11 H new ATOM 296 N GLY A 20 3.605 0.819 -27.190 1.00 52.44 N ATOM 297 CA GLY A 20 3.352 0.025 -28.381 1.00 2.42 C ATOM 298 C GLY A 20 1.859 -0.266 -28.539 1.00 35.44 C ATOM 299 O GLY A 20 1.390 -0.548 -29.641 1.00 25.34 O ATOM 0 H GLY A 20 3.656 0.284 -26.323 1.00 52.44 H new ATOM 0 HA2 GLY A 20 3.718 0.555 -29.260 1.00 2.42 H new ATOM 0 HA3 GLY A 20 3.905 -0.913 -28.321 1.00 2.42 H new ATOM 303 N SER A 21 1.152 -0.189 -27.421 1.00 13.43 N ATOM 304 CA SER A 21 -0.279 -0.441 -27.421 1.00 13.21 C ATOM 305 C SER A 21 -1.041 0.867 -27.644 1.00 11.24 C ATOM 306 O SER A 21 -2.262 0.910 -27.502 1.00 53.34 O ATOM 307 CB SER A 21 -0.723 -1.097 -26.112 1.00 60.31 C ATOM 308 OG SER A 21 -0.020 -2.311 -25.858 1.00 42.42 O ATOM 0 H SER A 21 1.544 0.044 -26.509 1.00 13.43 H new ATOM 0 HA SER A 21 -0.505 -1.129 -28.236 1.00 13.21 H new ATOM 0 HB2 SER A 21 -0.561 -0.404 -25.286 1.00 60.31 H new ATOM 0 HB3 SER A 21 -1.793 -1.299 -26.153 1.00 60.31 H new ATOM 0 HG SER A 21 0.890 -2.105 -25.559 1.00 42.42 H new ATOM 314 N VAL A 22 -0.289 1.902 -27.988 1.00 25.20 N ATOM 315 CA VAL A 22 -0.878 3.208 -28.232 1.00 24.44 C ATOM 316 C VAL A 22 -1.905 3.096 -29.360 1.00 44.51 C ATOM 317 O VAL A 22 -2.912 3.802 -29.359 1.00 41.43 O ATOM 318 CB VAL A 22 0.222 4.231 -28.522 1.00 54.52 C ATOM 319 CG1 VAL A 22 -0.367 5.516 -29.109 1.00 60.11 C ATOM 320 CG2 VAL A 22 1.041 4.528 -27.264 1.00 52.25 C ATOM 0 H VAL A 22 0.724 1.863 -28.104 1.00 25.20 H new ATOM 0 HA VAL A 22 -1.406 3.562 -27.347 1.00 24.44 H new ATOM 0 HB VAL A 22 0.894 3.800 -29.264 1.00 54.52 H new ATOM 0 HG11 VAL A 22 0.435 6.227 -29.306 1.00 60.11 H new ATOM 0 HG12 VAL A 22 -0.885 5.286 -30.040 1.00 60.11 H new ATOM 0 HG13 VAL A 22 -1.071 5.951 -28.399 1.00 60.11 H new ATOM 0 HG21 VAL A 22 1.816 5.258 -27.498 1.00 52.25 H new ATOM 0 HG22 VAL A 22 0.387 4.929 -26.490 1.00 52.25 H new ATOM 0 HG23 VAL A 22 1.505 3.609 -26.906 1.00 52.25 H new ATOM 330 N ALA A 23 -1.614 2.205 -30.296 1.00 20.41 N ATOM 331 CA ALA A 23 -2.500 1.992 -31.428 1.00 23.01 C ATOM 332 C ALA A 23 -3.751 1.247 -30.958 1.00 41.12 C ATOM 333 O ALA A 23 -4.766 1.231 -31.653 1.00 2.51 O ATOM 334 CB ALA A 23 -1.750 1.237 -32.528 1.00 14.31 C ATOM 0 H ALA A 23 -0.777 1.622 -30.294 1.00 20.41 H new ATOM 0 HA ALA A 23 -2.822 2.945 -31.848 1.00 23.01 H new ATOM 0 HB1 ALA A 23 -2.414 1.077 -33.377 1.00 14.31 H new ATOM 0 HB2 ALA A 23 -0.887 1.822 -32.847 1.00 14.31 H new ATOM 0 HB3 ALA A 23 -1.414 0.274 -32.144 1.00 14.31 H new ATOM 340 N GLY A 24 -3.637 0.648 -29.782 1.00 72.10 N ATOM 341 CA GLY A 24 -4.747 -0.097 -29.211 1.00 64.03 C ATOM 342 C GLY A 24 -5.316 0.620 -27.985 1.00 44.13 C ATOM 343 O GLY A 24 -6.056 0.026 -27.202 1.00 45.53 O ATOM 0 H GLY A 24 -2.793 0.663 -29.209 1.00 72.10 H new ATOM 0 HA2 GLY A 24 -5.529 -0.221 -29.960 1.00 64.03 H new ATOM 0 HA3 GLY A 24 -4.413 -1.096 -28.930 1.00 64.03 H new ATOM 347 N ILE A 25 -4.949 1.887 -27.857 1.00 65.31 N ATOM 348 CA ILE A 25 -5.413 2.691 -26.740 1.00 11.13 C ATOM 349 C ILE A 25 -5.640 4.129 -27.211 1.00 72.34 C ATOM 350 O ILE A 25 -6.752 4.647 -27.121 1.00 1.33 O ATOM 351 CB ILE A 25 -4.447 2.577 -25.559 1.00 21.31 C ATOM 352 CG1 ILE A 25 -4.665 1.268 -24.797 1.00 12.14 C ATOM 353 CG2 ILE A 25 -4.553 3.798 -24.643 1.00 72.13 C ATOM 354 CD1 ILE A 25 -3.457 0.340 -24.943 1.00 54.31 C ATOM 0 H ILE A 25 -4.336 2.376 -28.509 1.00 65.31 H new ATOM 0 HA ILE A 25 -6.371 2.319 -26.376 1.00 11.13 H new ATOM 0 HB ILE A 25 -3.430 2.556 -25.951 1.00 21.31 H new ATOM 0 HG12 ILE A 25 -4.838 1.482 -23.742 1.00 12.14 H new ATOM 0 HG13 ILE A 25 -5.559 0.769 -25.172 1.00 12.14 H new ATOM 0 HG21 ILE A 25 -3.856 3.691 -23.812 1.00 72.13 H new ATOM 0 HG22 ILE A 25 -4.310 4.698 -25.207 1.00 72.13 H new ATOM 0 HG23 ILE A 25 -5.569 3.876 -24.256 1.00 72.13 H new ATOM 0 HD11 ILE A 25 -3.638 -0.583 -24.392 1.00 54.31 H new ATOM 0 HD12 ILE A 25 -3.301 0.109 -25.997 1.00 54.31 H new ATOM 0 HD13 ILE A 25 -2.570 0.832 -24.545 1.00 54.31 H new ATOM 366 N ARG A 26 -4.569 4.732 -27.705 1.00 62.21 N ATOM 367 CA ARG A 26 -4.637 6.099 -28.191 1.00 52.42 C ATOM 368 C ARG A 26 -5.438 6.160 -29.493 1.00 52.44 C ATOM 369 O ARG A 26 -5.935 7.220 -29.872 1.00 1.22 O ATOM 370 CB ARG A 26 -3.238 6.668 -28.434 1.00 41.22 C ATOM 371 CG ARG A 26 -3.311 8.123 -28.901 1.00 40.41 C ATOM 372 CD ARG A 26 -3.205 8.216 -30.425 1.00 12.33 C ATOM 373 NE ARG A 26 -3.796 9.489 -30.896 1.00 71.44 N ATOM 374 CZ ARG A 26 -3.258 10.705 -30.665 1.00 62.22 C ATOM 375 NH1 ARG A 26 -2.110 10.824 -29.965 1.00 44.02 N ATOM 376 NH2 ARG A 26 -3.871 11.776 -31.134 1.00 30.33 N ATOM 0 H ARG A 26 -3.649 4.298 -27.779 1.00 62.21 H new ATOM 0 HA ARG A 26 -5.132 6.698 -27.427 1.00 52.42 H new ATOM 0 HB2 ARG A 26 -2.652 6.606 -27.517 1.00 41.22 H new ATOM 0 HB3 ARG A 26 -2.722 6.067 -29.183 1.00 41.22 H new ATOM 0 HG2 ARG A 26 -4.249 8.568 -28.570 1.00 40.41 H new ATOM 0 HG3 ARG A 26 -2.507 8.697 -28.441 1.00 40.41 H new ATOM 0 HD2 ARG A 26 -2.160 8.156 -30.730 1.00 12.33 H new ATOM 0 HD3 ARG A 26 -3.721 7.373 -30.886 1.00 12.33 H new ATOM 0 HE ARG A 26 -4.665 9.444 -31.429 1.00 71.44 H new ATOM 0 HH11 ARG A 26 -1.643 9.991 -29.606 1.00 44.02 H new ATOM 0 HH12 ARG A 26 -1.710 11.747 -29.795 1.00 44.02 H new ATOM 0 HH21 ARG A 26 -4.738 11.677 -31.662 1.00 30.33 H new ATOM 0 HH22 ARG A 26 -3.478 12.702 -30.968 1.00 30.33 H new ATOM 389 N GLY A 27 -5.539 5.010 -30.143 1.00 41.23 N ATOM 390 CA GLY A 27 -6.271 4.920 -31.395 1.00 70.51 C ATOM 391 C GLY A 27 -7.763 4.690 -31.143 1.00 5.04 C ATOM 392 O GLY A 27 -8.604 5.155 -31.910 1.00 33.42 O ATOM 0 H GLY A 27 -5.126 4.133 -29.826 1.00 41.23 H new ATOM 0 HA2 GLY A 27 -6.132 5.837 -31.968 1.00 70.51 H new ATOM 0 HA3 GLY A 27 -5.870 4.104 -31.997 1.00 70.51 H new ATOM 396 N ILE A 28 -8.044 3.974 -30.064 1.00 71.43 N ATOM 397 CA ILE A 28 -9.419 3.677 -29.701 1.00 74.21 C ATOM 398 C ILE A 28 -10.014 4.872 -28.954 1.00 55.35 C ATOM 399 O ILE A 28 -11.233 5.026 -28.892 1.00 73.32 O ATOM 400 CB ILE A 28 -9.496 2.364 -28.920 1.00 23.34 C ATOM 401 CG1 ILE A 28 -9.132 2.579 -27.449 1.00 61.11 C ATOM 402 CG2 ILE A 28 -8.628 1.286 -29.573 1.00 34.31 C ATOM 403 CD1 ILE A 28 -9.393 1.314 -26.629 1.00 12.01 C ATOM 0 H ILE A 28 -7.343 3.591 -29.430 1.00 71.43 H new ATOM 0 HA ILE A 28 -10.024 3.525 -30.595 1.00 74.21 H new ATOM 0 HB ILE A 28 -10.526 2.009 -28.949 1.00 23.34 H new ATOM 0 HG12 ILE A 28 -8.082 2.859 -27.368 1.00 61.11 H new ATOM 0 HG13 ILE A 28 -9.715 3.406 -27.044 1.00 61.11 H new ATOM 0 HG21 ILE A 28 -8.701 0.363 -28.998 1.00 34.31 H new ATOM 0 HG22 ILE A 28 -8.974 1.108 -30.591 1.00 34.31 H new ATOM 0 HG23 ILE A 28 -7.590 1.619 -29.595 1.00 34.31 H new ATOM 0 HD11 ILE A 28 -9.126 1.494 -25.588 1.00 12.01 H new ATOM 0 HD12 ILE A 28 -10.449 1.051 -26.693 1.00 12.01 H new ATOM 0 HD13 ILE A 28 -8.790 0.495 -27.022 1.00 12.01 H new ATOM 415 N LEU A 29 -9.126 5.689 -28.407 1.00 34.34 N ATOM 416 CA LEU A 29 -9.549 6.866 -27.667 1.00 25.24 C ATOM 417 C LEU A 29 -10.482 7.705 -28.541 1.00 44.45 C ATOM 418 O LEU A 29 -11.578 8.068 -28.117 1.00 23.43 O ATOM 419 CB LEU A 29 -8.333 7.637 -27.148 1.00 31.25 C ATOM 420 CG LEU A 29 -8.356 8.004 -25.662 1.00 60.13 C ATOM 421 CD1 LEU A 29 -9.642 8.750 -25.302 1.00 2.32 C ATOM 422 CD2 LEU A 29 -8.148 6.766 -24.788 1.00 63.42 C ATOM 0 H LEU A 29 -8.116 5.559 -28.461 1.00 34.34 H new ATOM 0 HA LEU A 29 -10.116 6.577 -26.782 1.00 25.24 H new ATOM 0 HB2 LEU A 29 -7.441 7.042 -27.341 1.00 31.25 H new ATOM 0 HB3 LEU A 29 -8.235 8.555 -27.727 1.00 31.25 H new ATOM 0 HG LEU A 29 -7.525 8.681 -25.464 1.00 60.13 H new ATOM 0 HD11 LEU A 29 -9.633 8.999 -24.241 1.00 2.32 H new ATOM 0 HD12 LEU A 29 -9.708 9.666 -25.889 1.00 2.32 H new ATOM 0 HD13 LEU A 29 -10.503 8.117 -25.519 1.00 2.32 H new ATOM 0 HD21 LEU A 29 -8.169 7.055 -23.737 1.00 63.42 H new ATOM 0 HD22 LEU A 29 -8.943 6.046 -24.982 1.00 63.42 H new ATOM 0 HD23 LEU A 29 -7.184 6.314 -25.021 1.00 63.42 H new ATOM 434 N LYS A 30 -10.013 7.990 -29.747 1.00 44.44 N ATOM 435 CA LYS A 30 -10.791 8.781 -30.686 1.00 34.43 C ATOM 436 C LYS A 30 -12.095 8.046 -31.006 1.00 24.21 C ATOM 437 O LYS A 30 -13.022 8.633 -31.560 1.00 54.03 O ATOM 438 CB LYS A 30 -9.957 9.120 -31.922 1.00 62.34 C ATOM 439 CG LYS A 30 -9.215 7.885 -32.439 1.00 11.12 C ATOM 440 CD LYS A 30 -7.755 7.892 -31.982 1.00 20.42 C ATOM 441 CE LYS A 30 -6.806 7.789 -33.177 1.00 42.33 C ATOM 442 NZ LYS A 30 -7.111 8.841 -34.173 1.00 2.33 N ATOM 0 H LYS A 30 -9.104 7.687 -30.096 1.00 44.44 H new ATOM 0 HA LYS A 30 -11.064 9.739 -30.243 1.00 34.43 H new ATOM 0 HB2 LYS A 30 -10.605 9.514 -32.705 1.00 62.34 H new ATOM 0 HB3 LYS A 30 -9.240 9.904 -31.677 1.00 62.34 H new ATOM 0 HG2 LYS A 30 -9.708 6.982 -32.078 1.00 11.12 H new ATOM 0 HG3 LYS A 30 -9.259 7.859 -33.528 1.00 11.12 H new ATOM 0 HD2 LYS A 30 -7.548 8.807 -31.427 1.00 20.42 H new ATOM 0 HD3 LYS A 30 -7.579 7.059 -31.301 1.00 20.42 H new ATOM 0 HE2 LYS A 30 -5.774 7.888 -32.839 1.00 42.33 H new ATOM 0 HE3 LYS A 30 -6.898 6.806 -33.638 1.00 42.33 H new ATOM 0 HZ1 LYS A 30 -6.228 9.164 -34.618 1.00 2.33 H new ATOM 0 HZ2 LYS A 30 -7.745 8.456 -34.902 1.00 2.33 H new ATOM 0 HZ3 LYS A 30 -7.574 9.643 -33.700 1.00 2.33 H new ATOM 455 N SER A 31 -12.123 6.772 -30.643 1.00 21.10 N ATOM 456 CA SER A 31 -13.297 5.951 -30.885 1.00 30.33 C ATOM 457 C SER A 31 -14.325 6.168 -29.773 1.00 34.02 C ATOM 458 O SER A 31 -15.511 5.895 -29.956 1.00 65.34 O ATOM 459 CB SER A 31 -12.923 4.470 -30.980 1.00 55.22 C ATOM 460 OG SER A 31 -13.555 3.830 -32.086 1.00 15.43 O ATOM 0 H SER A 31 -11.352 6.288 -30.183 1.00 21.10 H new ATOM 0 HA SER A 31 -13.733 6.250 -31.838 1.00 30.33 H new ATOM 0 HB2 SER A 31 -11.841 4.375 -31.075 1.00 55.22 H new ATOM 0 HB3 SER A 31 -13.207 3.964 -30.057 1.00 55.22 H new ATOM 0 HG SER A 31 -13.290 2.887 -32.113 1.00 15.43 H new ATOM 466 N ILE A 32 -13.834 6.658 -28.644 1.00 33.41 N ATOM 467 CA ILE A 32 -14.696 6.915 -27.502 1.00 62.23 C ATOM 468 C ILE A 32 -15.057 8.401 -27.466 1.00 40.11 C ATOM 469 O ILE A 32 -16.215 8.757 -27.253 1.00 40.15 O ATOM 470 CB ILE A 32 -14.044 6.409 -26.214 1.00 65.21 C ATOM 471 CG1 ILE A 32 -13.001 5.330 -26.515 1.00 33.45 C ATOM 472 CG2 ILE A 32 -15.100 5.924 -25.219 1.00 5.55 C ATOM 473 CD1 ILE A 32 -12.483 4.693 -25.223 1.00 41.42 C ATOM 0 H ILE A 32 -12.850 6.884 -28.495 1.00 33.41 H new ATOM 0 HA ILE A 32 -15.630 6.362 -27.597 1.00 62.23 H new ATOM 0 HB ILE A 32 -13.520 7.242 -25.746 1.00 65.21 H new ATOM 0 HG12 ILE A 32 -13.440 4.563 -27.153 1.00 33.45 H new ATOM 0 HG13 ILE A 32 -12.170 5.767 -27.068 1.00 33.45 H new ATOM 0 HG21 ILE A 32 -14.610 5.570 -24.312 1.00 5.55 H new ATOM 0 HG22 ILE A 32 -15.771 6.746 -24.971 1.00 5.55 H new ATOM 0 HG23 ILE A 32 -15.672 5.110 -25.664 1.00 5.55 H new ATOM 0 HD11 ILE A 32 -11.743 3.930 -25.465 1.00 41.42 H new ATOM 0 HD12 ILE A 32 -12.023 5.459 -24.599 1.00 41.42 H new ATOM 0 HD13 ILE A 32 -13.313 4.236 -24.684 1.00 41.42 H new ATOM 485 N ARG A 33 -14.044 9.229 -27.677 1.00 31.31 N ATOM 486 CA ARG A 33 -14.240 10.668 -27.671 1.00 14.50 C ATOM 487 C ARG A 33 -14.642 11.144 -26.273 1.00 63.31 C ATOM 488 O ARG A 33 -15.213 12.222 -26.121 1.00 1.35 O ATOM 489 CB ARG A 33 -15.321 11.081 -28.672 1.00 51.12 C ATOM 490 CG ARG A 33 -14.702 11.488 -30.011 1.00 2.02 C ATOM 491 CD ARG A 33 -13.782 12.699 -29.844 1.00 3.03 C ATOM 492 NE ARG A 33 -12.366 12.270 -29.896 1.00 52.35 N ATOM 493 CZ ARG A 33 -11.345 12.963 -29.350 1.00 44.53 C ATOM 494 NH1 ARG A 33 -11.574 14.127 -28.704 1.00 64.44 N ATOM 495 NH2 ARG A 33 -10.118 12.487 -29.457 1.00 73.05 N ATOM 0 H ARG A 33 -13.085 8.930 -27.853 1.00 31.31 H new ATOM 0 HA ARG A 33 -13.297 11.132 -27.959 1.00 14.50 H new ATOM 0 HB2 ARG A 33 -16.015 10.255 -28.824 1.00 51.12 H new ATOM 0 HB3 ARG A 33 -15.899 11.912 -28.267 1.00 51.12 H new ATOM 0 HG2 ARG A 33 -14.137 10.652 -30.424 1.00 2.02 H new ATOM 0 HG3 ARG A 33 -15.492 11.722 -30.725 1.00 2.02 H new ATOM 0 HD2 ARG A 33 -13.979 13.427 -30.631 1.00 3.03 H new ATOM 0 HD3 ARG A 33 -13.986 13.193 -28.894 1.00 3.03 H new ATOM 0 HE ARG A 33 -12.149 11.396 -30.375 1.00 52.35 H new ATOM 0 HH11 ARG A 33 -12.525 14.489 -28.626 1.00 64.44 H new ATOM 0 HH12 ARG A 33 -10.796 14.644 -28.294 1.00 64.44 H new ATOM 0 HH21 ARG A 33 -9.953 11.608 -29.947 1.00 73.05 H new ATOM 0 HH22 ARG A 33 -9.335 12.999 -29.050 1.00 73.05 H new TER 508 ARG A 33