USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 LYS N :NH3+ -113:sc= -0.788 (180deg=-2.44!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 68:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 9 ASN : amide:sc= -0.893 K(o=-0.89,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.607 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.464 F(o=-1.7,f=-0.46) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 35:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.339 2.272 2.399 1.00 70.01 N ATOM 2 CA LYS A 1 -3.233 1.119 3.285 1.00 31.10 C ATOM 3 C LYS A 1 -2.988 -0.159 2.489 1.00 54.35 C ATOM 4 O LYS A 1 -2.623 -0.109 1.314 1.00 50.12 O ATOM 5 CB LYS A 1 -4.506 0.975 4.122 1.00 21.34 C ATOM 6 CG LYS A 1 -4.240 0.778 5.605 1.00 64.53 C ATOM 7 CD LYS A 1 -5.263 1.509 6.457 1.00 4.42 C ATOM 8 CE LYS A 1 -4.791 2.911 6.813 1.00 21.15 C ATOM 9 NZ LYS A 1 -5.606 3.959 6.138 1.00 25.32 N ATOM 0 H1 LYS A 1 -2.529 2.905 2.555 1.00 70.01 H new ATOM 0 H2 LYS A 1 -3.342 1.951 1.410 1.00 70.01 H new ATOM 0 H3 LYS A 1 -4.222 2.784 2.599 1.00 70.01 H new ATOM 0 HA LYS A 1 -2.384 1.280 3.950 1.00 31.10 H new ATOM 0 HB2 LYS A 1 -5.122 1.864 3.987 1.00 21.34 H new ATOM 0 HB3 LYS A 1 -5.082 0.128 3.749 1.00 21.34 H new ATOM 0 HG2 LYS A 1 -4.262 -0.286 5.841 1.00 64.53 H new ATOM 0 HG3 LYS A 1 -3.240 1.138 5.847 1.00 64.53 H new ATOM 0 HD2 LYS A 1 -6.210 1.568 5.920 1.00 4.42 H new ATOM 0 HD3 LYS A 1 -5.449 0.943 7.370 1.00 4.42 H new ATOM 0 HE2 LYS A 1 -4.845 3.049 7.893 1.00 21.15 H new ATOM 0 HE3 LYS A 1 -3.745 3.025 6.529 1.00 21.15 H new ATOM 0 HZ1 LYS A 1 -5.253 4.900 6.406 1.00 25.32 H new ATOM 0 HZ2 LYS A 1 -5.535 3.844 5.107 1.00 25.32 H new ATOM 0 HZ3 LYS A 1 -6.600 3.867 6.429 1.00 25.32 H new ATOM 23 N TYR A 2 -3.193 -1.301 3.134 1.00 34.23 N ATOM 24 CA TYR A 2 -2.994 -2.592 2.486 1.00 11.00 C ATOM 25 C TYR A 2 -4.331 -3.253 2.165 1.00 52.53 C ATOM 26 O TYR A 2 -4.716 -3.365 1.001 1.00 20.04 O ATOM 27 CB TYR A 2 -2.160 -3.512 3.379 1.00 1.45 C ATOM 28 CG TYR A 2 -1.512 -4.656 2.633 1.00 35.34 C ATOM 29 CD1 TYR A 2 -2.094 -5.918 2.617 1.00 32.14 C ATOM 30 CD2 TYR A 2 -0.319 -4.477 1.945 1.00 1.45 C ATOM 31 CE1 TYR A 2 -1.506 -6.967 1.938 1.00 70.33 C ATOM 32 CE2 TYR A 2 0.276 -5.520 1.262 1.00 54.51 C ATOM 33 CZ TYR A 2 -0.322 -6.763 1.261 1.00 4.22 C ATOM 34 OH TYR A 2 0.268 -7.805 0.583 1.00 42.43 O ATOM 0 H TYR A 2 -3.497 -1.360 4.106 1.00 34.23 H new ATOM 0 HA TYR A 2 -2.460 -2.421 1.551 1.00 11.00 H new ATOM 0 HB2 TYR A 2 -1.384 -2.923 3.869 1.00 1.45 H new ATOM 0 HB3 TYR A 2 -2.797 -3.917 4.165 1.00 1.45 H new ATOM 0 HD1 TYR A 2 -3.022 -6.081 3.145 1.00 32.14 H new ATOM 0 HD2 TYR A 2 0.152 -3.505 1.944 1.00 1.45 H new ATOM 0 HE1 TYR A 2 -1.971 -7.942 1.937 1.00 70.33 H new ATOM 0 HE2 TYR A 2 1.204 -5.363 0.732 1.00 54.51 H new ATOM 0 HH TYR A 2 -0.291 -8.056 -0.182 1.00 42.43 H new ATOM 44 N GLU A 3 -5.035 -3.687 3.206 1.00 44.12 N ATOM 45 CA GLU A 3 -6.329 -4.337 3.035 1.00 42.41 C ATOM 46 C GLU A 3 -7.271 -3.464 2.210 1.00 22.11 C ATOM 47 O GLU A 3 -8.244 -3.954 1.637 1.00 53.34 O ATOM 48 CB GLU A 3 -6.957 -4.638 4.397 1.00 0.02 C ATOM 49 CG GLU A 3 -6.231 -5.722 5.176 1.00 70.34 C ATOM 50 CD GLU A 3 -6.753 -5.873 6.591 1.00 1.14 C ATOM 51 OE1 GLU A 3 -7.989 -5.871 6.771 1.00 60.34 O ATOM 52 OE2 GLU A 3 -5.926 -5.992 7.520 1.00 53.14 O ATOM 0 H GLU A 3 -4.731 -3.600 4.176 1.00 44.12 H new ATOM 0 HA GLU A 3 -6.169 -5.274 2.502 1.00 42.41 H new ATOM 0 HB2 GLU A 3 -6.972 -3.724 4.991 1.00 0.02 H new ATOM 0 HB3 GLU A 3 -7.994 -4.940 4.251 1.00 0.02 H new ATOM 0 HG2 GLU A 3 -6.334 -6.672 4.652 1.00 70.34 H new ATOM 0 HG3 GLU A 3 -5.167 -5.490 5.208 1.00 70.34 H new ATOM 59 N ILE A 4 -6.974 -2.170 2.156 1.00 21.22 N ATOM 60 CA ILE A 4 -7.793 -1.230 1.402 1.00 52.22 C ATOM 61 C ILE A 4 -7.783 -1.563 -0.086 1.00 53.32 C ATOM 62 O ILE A 4 -8.732 -1.256 -0.809 1.00 70.53 O ATOM 63 CB ILE A 4 -7.309 0.220 1.595 1.00 34.54 C ATOM 64 CG1 ILE A 4 -5.847 0.353 1.167 1.00 4.51 C ATOM 65 CG2 ILE A 4 -7.484 0.647 3.045 1.00 41.00 C ATOM 66 CD1 ILE A 4 -5.673 0.665 -0.303 1.00 15.41 C ATOM 0 H ILE A 4 -6.172 -1.749 2.625 1.00 21.22 H new ATOM 0 HA ILE A 4 -8.809 -1.319 1.785 1.00 52.22 H new ATOM 0 HB ILE A 4 -7.912 0.877 0.968 1.00 34.54 H new ATOM 0 HG12 ILE A 4 -5.375 1.140 1.755 1.00 4.51 H new ATOM 0 HG13 ILE A 4 -5.324 -0.575 1.397 1.00 4.51 H new ATOM 0 HG21 ILE A 4 -7.138 1.673 3.166 1.00 41.00 H new ATOM 0 HG22 ILE A 4 -8.537 0.585 3.318 1.00 41.00 H new ATOM 0 HG23 ILE A 4 -6.902 -0.011 3.691 1.00 41.00 H new ATOM 0 HD11 ILE A 4 -4.611 0.745 -0.535 1.00 15.41 H new ATOM 0 HD12 ILE A 4 -6.115 -0.133 -0.899 1.00 15.41 H new ATOM 0 HD13 ILE A 4 -6.167 1.608 -0.536 1.00 15.41 H new ATOM 78 N THR A 5 -6.704 -2.194 -0.539 1.00 33.12 N ATOM 79 CA THR A 5 -6.570 -2.570 -1.940 1.00 53.15 C ATOM 80 C THR A 5 -6.617 -4.084 -2.111 1.00 34.14 C ATOM 81 O THR A 5 -5.745 -4.802 -1.621 1.00 30.32 O ATOM 82 CB THR A 5 -5.256 -2.038 -2.542 1.00 2.24 C ATOM 83 OG1 THR A 5 -5.014 -2.652 -3.812 1.00 71.23 O ATOM 84 CG2 THR A 5 -4.085 -2.311 -1.610 1.00 1.14 C ATOM 0 H THR A 5 -5.910 -2.455 0.045 1.00 33.12 H new ATOM 0 HA THR A 5 -7.411 -2.121 -2.468 1.00 53.15 H new ATOM 0 HB THR A 5 -5.353 -0.960 -2.673 1.00 2.24 H new ATOM 0 HG1 THR A 5 -4.177 -2.307 -4.188 1.00 71.23 H new ATOM 0 HG21 THR A 5 -3.168 -1.927 -2.056 1.00 1.14 H new ATOM 0 HG22 THR A 5 -4.258 -1.817 -0.654 1.00 1.14 H new ATOM 0 HG23 THR A 5 -3.989 -3.385 -1.452 1.00 1.14 H new ATOM 92 N THR A 6 -7.641 -4.565 -2.809 1.00 34.11 N ATOM 93 CA THR A 6 -7.802 -5.994 -3.043 1.00 73.54 C ATOM 94 C THR A 6 -6.628 -6.557 -3.837 1.00 35.13 C ATOM 95 O THR A 6 -6.351 -7.756 -3.787 1.00 12.24 O ATOM 96 CB THR A 6 -9.110 -6.296 -3.800 1.00 1.12 C ATOM 97 OG1 THR A 6 -8.975 -5.929 -5.177 1.00 42.13 O ATOM 98 CG2 THR A 6 -10.279 -5.543 -3.182 1.00 25.55 C ATOM 0 H THR A 6 -8.371 -3.985 -3.222 1.00 34.11 H new ATOM 0 HA THR A 6 -7.838 -6.472 -2.064 1.00 73.54 H new ATOM 0 HB THR A 6 -9.307 -7.365 -3.727 1.00 1.12 H new ATOM 0 HG1 THR A 6 -9.810 -6.126 -5.651 1.00 42.13 H new ATOM 0 HG21 THR A 6 -11.191 -5.772 -3.733 1.00 25.55 H new ATOM 0 HG22 THR A 6 -10.398 -5.846 -2.142 1.00 25.55 H new ATOM 0 HG23 THR A 6 -10.087 -4.471 -3.228 1.00 25.55 H new ATOM 106 N ILE A 7 -5.942 -5.685 -4.567 1.00 61.12 N ATOM 107 CA ILE A 7 -4.796 -6.096 -5.370 1.00 15.15 C ATOM 108 C ILE A 7 -3.709 -6.716 -4.498 1.00 51.45 C ATOM 109 O ILE A 7 -3.532 -7.934 -4.481 1.00 63.21 O ATOM 110 CB ILE A 7 -4.200 -4.909 -6.149 1.00 0.35 C ATOM 111 CG1 ILE A 7 -5.264 -4.272 -7.045 1.00 32.22 C ATOM 112 CG2 ILE A 7 -3.007 -5.364 -6.975 1.00 44.32 C ATOM 113 CD1 ILE A 7 -5.328 -2.765 -6.930 1.00 72.32 C ATOM 0 H ILE A 7 -6.159 -4.690 -4.619 1.00 61.12 H new ATOM 0 HA ILE A 7 -5.158 -6.840 -6.080 1.00 15.15 H new ATOM 0 HB ILE A 7 -3.858 -4.160 -5.435 1.00 0.35 H new ATOM 0 HG12 ILE A 7 -5.062 -4.541 -8.082 1.00 32.22 H new ATOM 0 HG13 ILE A 7 -6.238 -4.689 -6.791 1.00 32.22 H new ATOM 0 HG21 ILE A 7 -2.596 -4.514 -7.520 1.00 44.32 H new ATOM 0 HG22 ILE A 7 -2.243 -5.775 -6.315 1.00 44.32 H new ATOM 0 HG23 ILE A 7 -3.325 -6.129 -7.683 1.00 44.32 H new ATOM 0 HD11 ILE A 7 -6.104 -2.382 -7.593 1.00 72.32 H new ATOM 0 HD12 ILE A 7 -5.560 -2.488 -5.902 1.00 72.32 H new ATOM 0 HD13 ILE A 7 -4.366 -2.337 -7.213 1.00 72.32 H new ATOM 125 N HIS A 8 -2.984 -5.869 -3.775 1.00 0.24 N ATOM 126 CA HIS A 8 -1.915 -6.333 -2.898 1.00 64.51 C ATOM 127 C HIS A 8 -2.477 -7.166 -1.750 1.00 24.31 C ATOM 128 O HIS A 8 -1.739 -7.874 -1.065 1.00 13.41 O ATOM 129 CB HIS A 8 -1.128 -5.145 -2.344 1.00 62.23 C ATOM 130 CG HIS A 8 0.083 -4.798 -3.155 1.00 32.40 C ATOM 131 ND1 HIS A 8 0.052 -4.641 -4.525 1.00 32.45 N ATOM 132 CD2 HIS A 8 1.365 -4.576 -2.781 1.00 73.32 C ATOM 133 CE1 HIS A 8 1.263 -4.339 -4.958 1.00 75.54 C ATOM 134 NE2 HIS A 8 2.078 -4.293 -3.920 1.00 73.32 N ATOM 0 H HIS A 8 -3.117 -4.858 -3.779 1.00 0.24 H new ATOM 0 HA HIS A 8 -1.245 -6.961 -3.485 1.00 64.51 H new ATOM 0 HB2 HIS A 8 -1.784 -4.276 -2.296 1.00 62.23 H new ATOM 0 HB3 HIS A 8 -0.819 -5.369 -1.323 1.00 62.23 H new ATOM 0 HD2 HIS A 8 1.754 -4.614 -1.774 1.00 73.32 H new ATOM 0 HE1 HIS A 8 1.540 -4.160 -5.987 1.00 75.54 H new ATOM 0 HE2 HIS A 8 3.075 -4.082 -3.958 1.00 73.32 H new ATOM 142 N ASN A 9 -3.787 -7.076 -1.546 1.00 2.14 N ATOM 143 CA ASN A 9 -4.447 -7.820 -0.479 1.00 73.14 C ATOM 144 C ASN A 9 -4.201 -9.318 -0.629 1.00 34.42 C ATOM 145 O ASN A 9 -3.481 -9.923 0.166 1.00 5.23 O ATOM 146 CB ASN A 9 -5.951 -7.535 -0.486 1.00 24.41 C ATOM 147 CG ASN A 9 -6.721 -8.478 0.418 1.00 14.45 C ATOM 148 OD1 ASN A 9 -7.767 -9.005 0.038 1.00 65.13 O ATOM 149 ND2 ASN A 9 -6.207 -8.693 1.624 1.00 74.01 N ATOM 0 H ASN A 9 -4.412 -6.496 -2.105 1.00 2.14 H new ATOM 0 HA ASN A 9 -4.027 -7.494 0.472 1.00 73.14 H new ATOM 0 HB2 ASN A 9 -6.125 -6.507 -0.167 1.00 24.41 H new ATOM 0 HB3 ASN A 9 -6.330 -7.622 -1.504 1.00 24.41 H new ATOM 0 HD21 ASN A 9 -6.682 -9.316 2.277 1.00 74.01 H new ATOM 0 HD22 ASN A 9 -5.337 -8.235 1.897 1.00 74.01 H new ATOM 156 N LEU A 10 -4.805 -9.912 -1.653 1.00 4.12 N ATOM 157 CA LEU A 10 -4.651 -11.340 -1.908 1.00 31.00 C ATOM 158 C LEU A 10 -4.003 -11.584 -3.267 1.00 3.21 C ATOM 159 O LEU A 10 -4.524 -12.337 -4.089 1.00 73.13 O ATOM 160 CB LEU A 10 -6.011 -12.038 -1.846 1.00 62.14 C ATOM 161 CG LEU A 10 -7.201 -11.238 -2.378 1.00 22.15 C ATOM 162 CD1 LEU A 10 -6.953 -10.802 -3.813 1.00 44.11 C ATOM 163 CD2 LEU A 10 -8.480 -12.057 -2.280 1.00 41.25 C ATOM 0 H LEU A 10 -5.406 -9.427 -2.320 1.00 4.12 H new ATOM 0 HA LEU A 10 -4.001 -11.754 -1.137 1.00 31.00 H new ATOM 0 HB2 LEU A 10 -5.945 -12.970 -2.408 1.00 62.14 H new ATOM 0 HB3 LEU A 10 -6.213 -12.305 -0.809 1.00 62.14 H new ATOM 0 HG LEU A 10 -7.317 -10.345 -1.765 1.00 22.15 H new ATOM 0 HD11 LEU A 10 -7.811 -10.234 -4.174 1.00 44.11 H new ATOM 0 HD12 LEU A 10 -6.061 -10.177 -3.854 1.00 44.11 H new ATOM 0 HD13 LEU A 10 -6.810 -11.681 -4.441 1.00 44.11 H new ATOM 0 HD21 LEU A 10 -9.317 -11.472 -2.663 1.00 41.25 H new ATOM 0 HD22 LEU A 10 -8.375 -12.968 -2.869 1.00 41.25 H new ATOM 0 HD23 LEU A 10 -8.666 -12.318 -1.238 1.00 41.25 H new ATOM 175 N PHE A 11 -2.861 -10.943 -3.495 1.00 70.14 N ATOM 176 CA PHE A 11 -2.140 -11.091 -4.754 1.00 70.23 C ATOM 177 C PHE A 11 -1.379 -12.413 -4.793 1.00 21.11 C ATOM 178 O PHE A 11 -0.155 -12.433 -4.926 1.00 72.42 O ATOM 179 CB PHE A 11 -1.169 -9.925 -4.951 1.00 13.13 C ATOM 180 CG PHE A 11 -0.993 -9.527 -6.388 1.00 72.13 C ATOM 181 CD1 PHE A 11 -1.481 -8.315 -6.850 1.00 60.43 C ATOM 182 CD2 PHE A 11 -0.340 -10.365 -7.278 1.00 33.23 C ATOM 183 CE1 PHE A 11 -1.320 -7.946 -8.173 1.00 33.14 C ATOM 184 CE2 PHE A 11 -0.176 -10.001 -8.601 1.00 33.11 C ATOM 185 CZ PHE A 11 -0.668 -8.791 -9.049 1.00 40.32 C ATOM 0 H PHE A 11 -2.415 -10.317 -2.825 1.00 70.14 H new ATOM 0 HA PHE A 11 -2.870 -11.088 -5.564 1.00 70.23 H new ATOM 0 HB2 PHE A 11 -1.527 -9.065 -4.386 1.00 13.13 H new ATOM 0 HB3 PHE A 11 -0.198 -10.197 -4.536 1.00 13.13 H new ATOM 0 HD1 PHE A 11 -1.993 -7.651 -6.169 1.00 60.43 H new ATOM 0 HD2 PHE A 11 0.045 -11.313 -6.934 1.00 33.23 H new ATOM 0 HE1 PHE A 11 -1.704 -6.998 -8.521 1.00 33.14 H new ATOM 0 HE2 PHE A 11 0.337 -10.662 -9.284 1.00 33.11 H new ATOM 0 HZ PHE A 11 -0.543 -8.506 -10.083 1.00 40.32 H new ATOM 195 N ARG A 12 -2.113 -13.515 -4.675 1.00 5.03 N ATOM 196 CA ARG A 12 -1.508 -14.841 -4.694 1.00 64.32 C ATOM 197 C ARG A 12 -1.950 -15.622 -5.928 1.00 65.42 C ATOM 198 O ARG A 12 -2.745 -16.558 -5.833 1.00 5.31 O ATOM 199 CB ARG A 12 -1.881 -15.614 -3.428 1.00 23.03 C ATOM 200 CG ARG A 12 -3.372 -15.617 -3.133 1.00 61.13 C ATOM 201 CD ARG A 12 -3.792 -16.880 -2.398 1.00 61.20 C ATOM 202 NE ARG A 12 -5.183 -17.234 -2.668 1.00 1.20 N ATOM 203 CZ ARG A 12 -5.874 -18.104 -1.941 1.00 33.41 C ATOM 204 NH1 ARG A 12 -5.307 -18.706 -0.905 1.00 22.51 N ATOM 205 NH2 ARG A 12 -7.136 -18.374 -2.249 1.00 54.14 N ATOM 0 H ARG A 12 -3.127 -13.515 -4.565 1.00 5.03 H new ATOM 0 HA ARG A 12 -0.426 -14.718 -4.731 1.00 64.32 H new ATOM 0 HB2 ARG A 12 -1.537 -16.643 -3.526 1.00 23.03 H new ATOM 0 HB3 ARG A 12 -1.352 -15.181 -2.579 1.00 23.03 H new ATOM 0 HG2 ARG A 12 -3.627 -14.744 -2.533 1.00 61.13 H new ATOM 0 HG3 ARG A 12 -3.929 -15.536 -4.067 1.00 61.13 H new ATOM 0 HD2 ARG A 12 -3.144 -17.705 -2.695 1.00 61.20 H new ATOM 0 HD3 ARG A 12 -3.656 -16.738 -1.326 1.00 61.20 H new ATOM 0 HE ARG A 12 -5.649 -16.788 -3.458 1.00 1.20 H new ATOM 0 HH11 ARG A 12 -4.337 -18.501 -0.664 1.00 22.51 H new ATOM 0 HH12 ARG A 12 -5.841 -19.374 -0.348 1.00 22.51 H new ATOM 0 HH21 ARG A 12 -7.576 -17.913 -3.045 1.00 54.14 H new ATOM 0 HH22 ARG A 12 -7.666 -19.043 -1.690 1.00 54.14 H new ATOM 219 N LYS A 13 -1.429 -15.232 -7.087 1.00 13.02 N ATOM 220 CA LYS A 13 -1.768 -15.895 -8.340 1.00 55.35 C ATOM 221 C LYS A 13 -1.495 -17.393 -8.255 1.00 52.02 C ATOM 222 O LYS A 13 -0.356 -17.816 -8.053 1.00 71.12 O ATOM 223 CB LYS A 13 -0.971 -15.285 -9.496 1.00 21.04 C ATOM 224 CG LYS A 13 -1.837 -14.596 -10.536 1.00 31.31 C ATOM 225 CD LYS A 13 -2.874 -15.544 -11.114 1.00 60.45 C ATOM 226 CE LYS A 13 -2.831 -15.557 -12.635 1.00 11.22 C ATOM 227 NZ LYS A 13 -4.101 -16.069 -13.221 1.00 44.44 N ATOM 0 H LYS A 13 -0.770 -14.460 -7.184 1.00 13.02 H new ATOM 0 HA LYS A 13 -2.832 -15.748 -8.523 1.00 55.35 H new ATOM 0 HB2 LYS A 13 -0.258 -14.565 -9.094 1.00 21.04 H new ATOM 0 HB3 LYS A 13 -0.392 -16.071 -9.981 1.00 21.04 H new ATOM 0 HG2 LYS A 13 -2.337 -13.739 -10.085 1.00 31.31 H new ATOM 0 HG3 LYS A 13 -1.207 -14.211 -11.338 1.00 31.31 H new ATOM 0 HD2 LYS A 13 -2.699 -16.551 -10.735 1.00 60.45 H new ATOM 0 HD3 LYS A 13 -3.868 -15.246 -10.780 1.00 60.45 H new ATOM 0 HE2 LYS A 13 -2.643 -14.548 -13.002 1.00 11.22 H new ATOM 0 HE3 LYS A 13 -2.000 -16.178 -12.970 1.00 11.22 H new ATOM 0 HZ1 LYS A 13 -4.032 -16.062 -14.259 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 -4.268 -17.041 -12.891 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 -4.891 -15.462 -12.923 1.00 44.44 H new ATOM 241 N LEU A 14 -2.546 -18.191 -8.412 1.00 24.05 N ATOM 242 CA LEU A 14 -2.418 -19.643 -8.354 1.00 34.22 C ATOM 243 C LEU A 14 -1.348 -20.135 -9.322 1.00 62.04 C ATOM 244 O LEU A 14 -0.664 -21.125 -9.060 1.00 32.23 O ATOM 245 CB LEU A 14 -3.759 -20.305 -8.678 1.00 23.41 C ATOM 246 CG LEU A 14 -4.475 -19.794 -9.928 1.00 60.13 C ATOM 247 CD1 LEU A 14 -4.884 -20.955 -10.822 1.00 3.03 C ATOM 248 CD2 LEU A 14 -5.689 -18.961 -9.544 1.00 72.03 C ATOM 0 H LEU A 14 -3.495 -17.857 -8.580 1.00 24.05 H new ATOM 0 HA LEU A 14 -2.119 -19.917 -7.342 1.00 34.22 H new ATOM 0 HB2 LEU A 14 -3.595 -21.377 -8.790 1.00 23.41 H new ATOM 0 HB3 LEU A 14 -4.423 -20.172 -7.824 1.00 23.41 H new ATOM 0 HG LEU A 14 -3.785 -19.160 -10.484 1.00 60.13 H new ATOM 0 HD11 LEU A 14 -5.392 -20.571 -11.707 1.00 3.03 H new ATOM 0 HD12 LEU A 14 -3.997 -21.511 -11.126 1.00 3.03 H new ATOM 0 HD13 LEU A 14 -5.557 -21.616 -10.275 1.00 3.03 H new ATOM 0 HD21 LEU A 14 -6.186 -18.605 -10.446 1.00 72.03 H new ATOM 0 HD22 LEU A 14 -6.381 -19.572 -8.965 1.00 72.03 H new ATOM 0 HD23 LEU A 14 -5.370 -18.108 -8.945 1.00 72.03 H new ATOM 260 N THR A 15 -1.205 -19.435 -10.444 1.00 30.41 N ATOM 261 CA THR A 15 -0.217 -19.800 -11.452 1.00 11.35 C ATOM 262 C THR A 15 0.787 -18.673 -11.670 1.00 35.20 C ATOM 263 O THR A 15 0.770 -18.005 -12.704 1.00 71.34 O ATOM 264 CB THR A 15 -0.886 -20.144 -12.796 1.00 11.33 C ATOM 265 OG1 THR A 15 -1.647 -19.025 -13.264 1.00 74.34 O ATOM 266 CG2 THR A 15 -1.793 -21.357 -12.654 1.00 24.20 C ATOM 0 H THR A 15 -1.761 -18.612 -10.677 1.00 30.41 H new ATOM 0 HA THR A 15 0.305 -20.681 -11.079 1.00 11.35 H new ATOM 0 HB THR A 15 -0.103 -20.378 -13.518 1.00 11.33 H new ATOM 0 HG1 THR A 15 -1.099 -18.214 -13.218 1.00 74.34 H new ATOM 0 HG21 THR A 15 -2.254 -21.581 -13.616 1.00 24.20 H new ATOM 0 HG22 THR A 15 -1.205 -22.214 -12.325 1.00 24.20 H new ATOM 0 HG23 THR A 15 -2.570 -21.146 -11.919 1.00 24.20 H new ATOM 274 N HIS A 16 1.661 -18.467 -10.690 1.00 33.30 N ATOM 275 CA HIS A 16 2.674 -17.421 -10.776 1.00 74.33 C ATOM 276 C HIS A 16 3.795 -17.828 -11.728 1.00 53.00 C ATOM 277 O HIS A 16 4.916 -18.101 -11.300 1.00 63.44 O ATOM 278 CB HIS A 16 3.248 -17.123 -9.391 1.00 50.42 C ATOM 279 CG HIS A 16 3.668 -18.348 -8.640 1.00 33.32 C ATOM 280 ND1 HIS A 16 3.954 -19.598 -9.074 1.00 64.10 N flip ATOM 281 CD2 HIS A 16 3.833 -18.372 -7.271 1.00 21.13 C flip ATOM 282 CE1 HIS A 16 4.285 -20.346 -7.971 1.00 3.12 C flip ATOM 283 NE2 HIS A 16 4.205 -19.583 -6.896 1.00 24.12 N flip ATOM 0 H HIS A 16 1.688 -19.010 -9.827 1.00 33.30 H new ATOM 0 HA HIS A 16 2.199 -16.520 -11.166 1.00 74.33 H new ATOM 0 HB2 HIS A 16 4.107 -16.460 -9.498 1.00 50.42 H new ATOM 0 HB3 HIS A 16 2.502 -16.586 -8.805 1.00 50.42 H new ATOM 0 HD2 HIS A 16 3.682 -17.532 -6.609 1.00 21.13 H new ATOM 0 HE1 HIS A 16 4.565 -21.389 -7.981 1.00 3.12 H new ATOM 0 HE2 HIS A 16 4.398 -19.878 -5.939 1.00 24.12 H new ATOM 291 N ARG A 17 3.483 -17.866 -13.019 1.00 62.34 N ATOM 292 CA ARG A 17 4.464 -18.242 -14.031 1.00 53.40 C ATOM 293 C ARG A 17 4.863 -17.035 -14.875 1.00 4.32 C ATOM 294 O ARG A 17 6.001 -16.936 -15.338 1.00 33.52 O ATOM 295 CB ARG A 17 3.903 -19.344 -14.932 1.00 12.35 C ATOM 296 CG ARG A 17 2.431 -19.165 -15.268 1.00 23.32 C ATOM 297 CD ARG A 17 1.980 -20.152 -16.333 1.00 34.43 C ATOM 298 NE ARG A 17 1.909 -21.518 -15.819 1.00 10.42 N ATOM 299 CZ ARG A 17 1.271 -22.504 -16.439 1.00 64.30 C ATOM 300 NH1 ARG A 17 0.653 -22.278 -17.590 1.00 22.30 N ATOM 301 NH2 ARG A 17 1.252 -23.720 -15.908 1.00 71.22 N ATOM 0 H ARG A 17 2.560 -17.641 -13.389 1.00 62.34 H new ATOM 0 HA ARG A 17 5.351 -18.617 -13.520 1.00 53.40 H new ATOM 0 HB2 ARG A 17 4.478 -19.372 -15.858 1.00 12.35 H new ATOM 0 HB3 ARG A 17 4.041 -20.308 -14.442 1.00 12.35 H new ATOM 0 HG2 ARG A 17 1.832 -19.300 -14.368 1.00 23.32 H new ATOM 0 HG3 ARG A 17 2.257 -18.147 -15.617 1.00 23.32 H new ATOM 0 HD2 ARG A 17 1.001 -19.856 -16.711 1.00 34.43 H new ATOM 0 HD3 ARG A 17 2.671 -20.117 -17.175 1.00 34.43 H new ATOM 0 HE ARG A 17 2.375 -21.726 -14.936 1.00 10.42 H new ATOM 0 HH11 ARG A 17 0.667 -21.345 -18.002 1.00 22.30 H new ATOM 0 HH12 ARG A 17 0.164 -23.037 -18.064 1.00 22.30 H new ATOM 0 HH21 ARG A 17 1.728 -23.898 -15.023 1.00 71.22 H new ATOM 0 HH22 ARG A 17 0.762 -24.477 -16.385 1.00 71.22 H new ATOM 315 N LEU A 18 3.921 -16.119 -15.071 1.00 45.23 N ATOM 316 CA LEU A 18 4.175 -14.918 -15.860 1.00 14.10 C ATOM 317 C LEU A 18 4.181 -13.676 -14.974 1.00 61.13 C ATOM 318 O LEU A 18 4.909 -12.718 -15.235 1.00 64.42 O ATOM 319 CB LEU A 18 3.117 -14.771 -16.956 1.00 24.32 C ATOM 320 CG LEU A 18 2.947 -15.971 -17.889 1.00 11.33 C ATOM 321 CD1 LEU A 18 1.481 -16.360 -17.995 1.00 33.32 C ATOM 322 CD2 LEU A 18 3.520 -15.662 -19.264 1.00 55.04 C ATOM 0 H LEU A 18 2.975 -16.185 -14.695 1.00 45.23 H new ATOM 0 HA LEU A 18 5.157 -15.017 -16.322 1.00 14.10 H new ATOM 0 HB2 LEU A 18 2.157 -14.566 -16.482 1.00 24.32 H new ATOM 0 HB3 LEU A 18 3.367 -13.899 -17.560 1.00 24.32 H new ATOM 0 HG LEU A 18 3.496 -16.814 -17.470 1.00 11.33 H new ATOM 0 HD11 LEU A 18 1.379 -17.215 -18.663 1.00 33.32 H new ATOM 0 HD12 LEU A 18 1.102 -16.623 -17.007 1.00 33.32 H new ATOM 0 HD13 LEU A 18 0.910 -15.520 -18.391 1.00 33.32 H new ATOM 0 HD21 LEU A 18 3.390 -16.527 -19.915 1.00 55.04 H new ATOM 0 HD22 LEU A 18 2.999 -14.805 -19.691 1.00 55.04 H new ATOM 0 HD23 LEU A 18 4.582 -15.432 -19.173 1.00 55.04 H new ATOM 334 N PHE A 19 3.366 -13.700 -13.925 1.00 24.13 N ATOM 335 CA PHE A 19 3.279 -12.577 -12.999 1.00 11.30 C ATOM 336 C PHE A 19 4.577 -12.418 -12.212 1.00 53.14 C ATOM 337 O PHE A 19 4.915 -11.321 -11.768 1.00 3.13 O ATOM 338 CB PHE A 19 2.106 -12.772 -12.036 1.00 22.22 C ATOM 339 CG PHE A 19 0.817 -12.184 -12.534 1.00 1.45 C ATOM 340 CD1 PHE A 19 -0.012 -12.909 -13.374 1.00 13.14 C ATOM 341 CD2 PHE A 19 0.435 -10.905 -12.162 1.00 1.42 C ATOM 342 CE1 PHE A 19 -1.199 -12.370 -13.833 1.00 75.31 C ATOM 343 CE2 PHE A 19 -0.751 -10.361 -12.618 1.00 21.02 C ATOM 344 CZ PHE A 19 -1.569 -11.094 -13.455 1.00 64.24 C ATOM 0 H PHE A 19 2.756 -14.485 -13.695 1.00 24.13 H new ATOM 0 HA PHE A 19 3.115 -11.670 -13.582 1.00 11.30 H new ATOM 0 HB2 PHE A 19 1.965 -13.838 -11.859 1.00 22.22 H new ATOM 0 HB3 PHE A 19 2.355 -12.320 -11.076 1.00 22.22 H new ATOM 0 HD1 PHE A 19 0.272 -13.907 -13.674 1.00 13.14 H new ATOM 0 HD2 PHE A 19 1.071 -10.327 -11.508 1.00 1.42 H new ATOM 0 HE1 PHE A 19 -1.837 -12.946 -14.487 1.00 75.31 H new ATOM 0 HE2 PHE A 19 -1.038 -9.363 -12.320 1.00 21.02 H new ATOM 0 HZ PHE A 19 -2.496 -10.671 -13.813 1.00 64.24 H new ATOM 354 N ARG A 20 5.299 -13.521 -12.044 1.00 74.04 N ATOM 355 CA ARG A 20 6.558 -13.506 -11.310 1.00 40.52 C ATOM 356 C ARG A 20 7.629 -12.743 -12.084 1.00 64.25 C ATOM 357 O ARG A 20 8.563 -12.197 -11.497 1.00 64.21 O ATOM 358 CB ARG A 20 7.031 -14.934 -11.036 1.00 60.45 C ATOM 359 CG ARG A 20 7.799 -15.083 -9.733 1.00 54.30 C ATOM 360 CD ARG A 20 9.272 -15.366 -9.983 1.00 75.20 C ATOM 361 NE ARG A 20 9.933 -15.908 -8.799 1.00 44.41 N ATOM 362 CZ ARG A 20 9.764 -17.152 -8.367 1.00 63.32 C ATOM 363 NH1 ARG A 20 8.959 -17.980 -9.019 1.00 23.11 N ATOM 364 NH2 ARG A 20 10.402 -17.572 -7.281 1.00 54.55 N ATOM 0 H ARG A 20 5.033 -14.437 -12.407 1.00 74.04 H new ATOM 0 HA ARG A 20 6.390 -12.999 -10.360 1.00 40.52 H new ATOM 0 HB2 ARG A 20 6.166 -15.596 -11.015 1.00 60.45 H new ATOM 0 HB3 ARG A 20 7.664 -15.262 -11.860 1.00 60.45 H new ATOM 0 HG2 ARG A 20 7.698 -14.172 -9.144 1.00 54.30 H new ATOM 0 HG3 ARG A 20 7.367 -15.893 -9.145 1.00 54.30 H new ATOM 0 HD2 ARG A 20 9.371 -16.071 -10.808 1.00 75.20 H new ATOM 0 HD3 ARG A 20 9.771 -14.446 -10.288 1.00 75.20 H new ATOM 0 HE ARG A 20 10.559 -15.297 -8.275 1.00 44.41 H new ATOM 0 HH11 ARG A 20 8.468 -17.662 -9.854 1.00 23.11 H new ATOM 0 HH12 ARG A 20 8.831 -18.935 -8.685 1.00 23.11 H new ATOM 0 HH21 ARG A 20 11.023 -16.939 -6.777 1.00 54.55 H new ATOM 0 HH22 ARG A 20 10.271 -18.528 -6.950 1.00 54.55 H new ATOM 378 N ARG A 21 7.487 -12.711 -13.405 1.00 63.25 N ATOM 379 CA ARG A 21 8.443 -12.018 -14.260 1.00 45.31 C ATOM 380 C ARG A 21 8.135 -10.525 -14.321 1.00 2.52 C ATOM 381 O ARG A 21 9.031 -9.703 -14.508 1.00 44.03 O ATOM 382 CB ARG A 21 8.424 -12.611 -15.670 1.00 34.10 C ATOM 383 CG ARG A 21 9.611 -12.195 -16.523 1.00 21.04 C ATOM 384 CD ARG A 21 9.214 -11.159 -17.562 1.00 44.43 C ATOM 385 NE ARG A 21 9.279 -11.693 -18.920 1.00 45.41 N ATOM 386 CZ ARG A 21 9.114 -10.952 -20.010 1.00 14.51 C ATOM 387 NH1 ARG A 21 8.875 -9.652 -19.902 1.00 14.11 N ATOM 388 NH2 ARG A 21 9.187 -11.510 -21.211 1.00 64.32 N ATOM 0 H ARG A 21 6.719 -13.157 -13.906 1.00 63.25 H new ATOM 0 HA ARG A 21 9.437 -12.150 -13.832 1.00 45.31 H new ATOM 0 HB2 ARG A 21 8.403 -13.698 -15.597 1.00 34.10 H new ATOM 0 HB3 ARG A 21 7.504 -12.308 -16.170 1.00 34.10 H new ATOM 0 HG2 ARG A 21 10.395 -11.789 -15.884 1.00 21.04 H new ATOM 0 HG3 ARG A 21 10.027 -13.071 -17.021 1.00 21.04 H new ATOM 0 HD2 ARG A 21 8.202 -10.810 -17.358 1.00 44.43 H new ATOM 0 HD3 ARG A 21 9.872 -10.294 -17.481 1.00 44.43 H new ATOM 0 HE ARG A 21 9.461 -12.690 -19.038 1.00 45.41 H new ATOM 0 HH11 ARG A 21 8.818 -9.219 -18.980 1.00 14.11 H new ATOM 0 HH12 ARG A 21 8.749 -9.085 -20.741 1.00 14.11 H new ATOM 0 HH21 ARG A 21 9.370 -12.510 -21.299 1.00 64.32 H new ATOM 0 HH22 ARG A 21 9.060 -10.940 -22.047 1.00 64.32 H new ATOM 402 N ASN A 22 6.861 -10.182 -14.161 1.00 41.41 N ATOM 403 CA ASN A 22 6.434 -8.788 -14.199 1.00 3.41 C ATOM 404 C ASN A 22 6.734 -8.091 -12.875 1.00 40.11 C ATOM 405 O ASN A 22 7.028 -6.896 -12.843 1.00 1.32 O ATOM 406 CB ASN A 22 4.938 -8.699 -14.508 1.00 4.34 C ATOM 407 CG ASN A 22 4.664 -8.487 -15.984 1.00 62.20 C ATOM 408 OD1 ASN A 22 4.318 -7.386 -16.411 1.00 12.41 O ATOM 409 ND2 ASN A 22 4.818 -9.545 -16.772 1.00 23.13 N ATOM 0 H ASN A 22 6.106 -10.850 -14.004 1.00 41.41 H new ATOM 0 HA ASN A 22 6.992 -8.285 -14.989 1.00 3.41 H new ATOM 0 HB2 ASN A 22 4.447 -9.614 -14.178 1.00 4.34 H new ATOM 0 HB3 ASN A 22 4.500 -7.879 -13.939 1.00 4.34 H new ATOM 0 HD21 ASN A 22 4.648 -9.463 -17.774 1.00 23.13 H new ATOM 0 HD22 ASN A 22 5.107 -10.439 -16.375 1.00 23.13 H new ATOM 416 N PHE A 23 6.658 -8.846 -11.785 1.00 30.54 N ATOM 417 CA PHE A 23 6.921 -8.302 -10.457 1.00 73.25 C ATOM 418 C PHE A 23 8.339 -7.746 -10.369 1.00 13.51 C ATOM 419 O PHE A 23 8.618 -6.852 -9.571 1.00 12.12 O ATOM 420 CB PHE A 23 6.716 -9.380 -9.391 1.00 64.32 C ATOM 421 CG PHE A 23 5.409 -9.262 -8.661 1.00 40.54 C ATOM 422 CD1 PHE A 23 4.221 -9.119 -9.360 1.00 30.21 C ATOM 423 CD2 PHE A 23 5.368 -9.292 -7.277 1.00 3.43 C ATOM 424 CE1 PHE A 23 3.016 -9.010 -8.691 1.00 41.14 C ATOM 425 CE2 PHE A 23 4.166 -9.183 -6.603 1.00 25.31 C ATOM 426 CZ PHE A 23 2.989 -9.041 -7.311 1.00 21.10 C ATOM 0 H PHE A 23 6.416 -9.837 -11.794 1.00 30.54 H new ATOM 0 HA PHE A 23 6.219 -7.488 -10.279 1.00 73.25 H new ATOM 0 HB2 PHE A 23 6.772 -10.361 -9.863 1.00 64.32 H new ATOM 0 HB3 PHE A 23 7.532 -9.326 -8.670 1.00 64.32 H new ATOM 0 HD1 PHE A 23 4.237 -9.092 -10.440 1.00 30.21 H new ATOM 0 HD2 PHE A 23 6.286 -9.402 -6.718 1.00 3.43 H new ATOM 0 HE1 PHE A 23 2.097 -8.901 -9.247 1.00 41.14 H new ATOM 0 HE2 PHE A 23 4.147 -9.209 -5.523 1.00 25.31 H new ATOM 0 HZ PHE A 23 2.049 -8.954 -6.786 1.00 21.10 H new ATOM 436 N GLY A 24 9.232 -8.282 -11.195 1.00 74.13 N ATOM 437 CA GLY A 24 10.610 -7.828 -11.194 1.00 71.05 C ATOM 438 C GLY A 24 10.730 -6.339 -11.451 1.00 11.24 C ATOM 439 O GLY A 24 11.720 -5.714 -11.070 1.00 21.24 O ATOM 0 H GLY A 24 9.026 -9.023 -11.865 1.00 74.13 H new ATOM 0 HA2 GLY A 24 11.067 -8.066 -10.233 1.00 71.05 H new ATOM 0 HA3 GLY A 24 11.169 -8.371 -11.956 1.00 71.05 H new ATOM 443 N TYR A 25 9.720 -5.769 -12.099 1.00 4.42 N ATOM 444 CA TYR A 25 9.719 -4.344 -12.409 1.00 51.13 C ATOM 445 C TYR A 25 9.255 -3.525 -11.208 1.00 64.23 C ATOM 446 O TYR A 25 9.621 -2.359 -11.058 1.00 0.24 O ATOM 447 CB TYR A 25 8.815 -4.064 -13.611 1.00 43.52 C ATOM 448 CG TYR A 25 9.523 -4.182 -14.942 1.00 23.21 C ATOM 449 CD1 TYR A 25 10.319 -5.284 -15.232 1.00 10.14 C ATOM 450 CD2 TYR A 25 9.398 -3.193 -15.909 1.00 13.41 C ATOM 451 CE1 TYR A 25 10.968 -5.397 -16.446 1.00 5.53 C ATOM 452 CE2 TYR A 25 10.042 -3.297 -17.126 1.00 62.52 C ATOM 453 CZ TYR A 25 10.827 -4.401 -17.390 1.00 34.02 C ATOM 454 OH TYR A 25 11.471 -4.509 -18.601 1.00 4.53 O ATOM 0 H TYR A 25 8.892 -6.271 -12.420 1.00 4.42 H new ATOM 0 HA TYR A 25 10.740 -4.050 -12.653 1.00 51.13 H new ATOM 0 HB2 TYR A 25 7.975 -4.759 -13.593 1.00 43.52 H new ATOM 0 HB3 TYR A 25 8.401 -3.060 -13.517 1.00 43.52 H new ATOM 0 HD1 TYR A 25 10.432 -6.066 -14.495 1.00 10.14 H new ATOM 0 HD2 TYR A 25 8.786 -2.327 -15.705 1.00 13.41 H new ATOM 0 HE1 TYR A 25 11.582 -6.260 -16.655 1.00 5.53 H new ATOM 0 HE2 TYR A 25 9.932 -2.519 -17.867 1.00 62.52 H new ATOM 0 HH TYR A 25 11.266 -3.725 -19.152 1.00 4.53 H new ATOM 464 N THR A 26 8.447 -4.145 -10.354 1.00 23.21 N ATOM 465 CA THR A 26 7.932 -3.476 -9.166 1.00 43.01 C ATOM 466 C THR A 26 8.865 -3.672 -7.976 1.00 61.35 C ATOM 467 O THR A 26 8.977 -2.802 -7.112 1.00 31.22 O ATOM 468 CB THR A 26 6.529 -3.992 -8.794 1.00 43.24 C ATOM 469 OG1 THR A 26 6.369 -5.342 -9.243 1.00 60.22 O ATOM 470 CG2 THR A 26 5.450 -3.116 -9.411 1.00 54.43 C ATOM 0 H THR A 26 8.135 -5.110 -10.463 1.00 23.21 H new ATOM 0 HA THR A 26 7.869 -2.414 -9.404 1.00 43.01 H new ATOM 0 HB THR A 26 6.428 -3.956 -7.709 1.00 43.24 H new ATOM 0 HG1 THR A 26 7.224 -5.815 -9.168 1.00 60.22 H new ATOM 0 HG21 THR A 26 4.468 -3.500 -9.135 1.00 54.43 H new ATOM 0 HG22 THR A 26 5.557 -2.095 -9.045 1.00 54.43 H new ATOM 0 HG23 THR A 26 5.551 -3.125 -10.496 1.00 54.43 H new ATOM 478 N LEU A 27 9.534 -4.820 -7.938 1.00 53.51 N ATOM 479 CA LEU A 27 10.459 -5.130 -6.854 1.00 32.03 C ATOM 480 C LEU A 27 11.835 -4.529 -7.123 1.00 33.12 C ATOM 481 O LEU A 27 12.560 -4.174 -6.194 1.00 2.51 O ATOM 482 CB LEU A 27 10.577 -6.645 -6.676 1.00 2.31 C ATOM 483 CG LEU A 27 10.212 -7.189 -5.294 1.00 45.22 C ATOM 484 CD1 LEU A 27 9.743 -8.632 -5.396 1.00 11.23 C ATOM 485 CD2 LEU A 27 11.398 -7.077 -4.347 1.00 62.30 C ATOM 0 H LEU A 27 9.453 -5.551 -8.645 1.00 53.51 H new ATOM 0 HA LEU A 27 10.065 -4.692 -5.937 1.00 32.03 H new ATOM 0 HB2 LEU A 27 9.938 -7.128 -7.415 1.00 2.31 H new ATOM 0 HB3 LEU A 27 11.602 -6.938 -6.901 1.00 2.31 H new ATOM 0 HG LEU A 27 9.394 -6.590 -4.893 1.00 45.22 H new ATOM 0 HD11 LEU A 27 9.488 -9.003 -4.403 1.00 11.23 H new ATOM 0 HD12 LEU A 27 8.865 -8.685 -6.040 1.00 11.23 H new ATOM 0 HD13 LEU A 27 10.540 -9.245 -5.818 1.00 11.23 H new ATOM 0 HD21 LEU A 27 11.120 -7.469 -3.368 1.00 62.30 H new ATOM 0 HD22 LEU A 27 12.236 -7.651 -4.743 1.00 62.30 H new ATOM 0 HD23 LEU A 27 11.689 -6.031 -4.250 1.00 62.30 H new ATOM 497 N ARG A 28 12.186 -4.417 -8.400 1.00 3.14 N ATOM 498 CA ARG A 28 13.475 -3.858 -8.791 1.00 14.10 C ATOM 499 C ARG A 28 13.288 -2.595 -9.626 1.00 51.33 C ATOM 500 O ARG A 28 13.680 -1.503 -9.214 1.00 52.23 O ATOM 501 CB ARG A 28 14.284 -4.889 -9.580 1.00 75.00 C ATOM 502 CG ARG A 28 15.645 -5.188 -8.975 1.00 3.44 C ATOM 503 CD ARG A 28 16.365 -6.289 -9.737 1.00 73.03 C ATOM 504 NE ARG A 28 17.302 -7.020 -8.889 1.00 45.31 N ATOM 505 CZ ARG A 28 18.477 -6.533 -8.503 1.00 34.23 C ATOM 506 NH1 ARG A 28 18.855 -5.322 -8.886 1.00 55.44 N ATOM 507 NH2 ARG A 28 19.275 -7.259 -7.730 1.00 41.24 N ATOM 0 H ARG A 28 11.597 -4.706 -9.181 1.00 3.14 H new ATOM 0 HA ARG A 28 14.020 -3.596 -7.884 1.00 14.10 H new ATOM 0 HB2 ARG A 28 13.713 -5.815 -9.643 1.00 75.00 H new ATOM 0 HB3 ARG A 28 14.420 -4.528 -10.599 1.00 75.00 H new ATOM 0 HG2 ARG A 28 16.253 -4.283 -8.980 1.00 3.44 H new ATOM 0 HG3 ARG A 28 15.524 -5.485 -7.933 1.00 3.44 H new ATOM 0 HD2 ARG A 28 15.632 -6.983 -10.149 1.00 73.03 H new ATOM 0 HD3 ARG A 28 16.902 -5.854 -10.580 1.00 73.03 H new ATOM 0 HE ARG A 28 17.041 -7.955 -8.576 1.00 45.31 H new ATOM 0 HH11 ARG A 28 18.244 -4.761 -9.479 1.00 55.44 H new ATOM 0 HH12 ARG A 28 19.757 -4.951 -8.588 1.00 55.44 H new ATOM 0 HH21 ARG A 28 18.987 -8.191 -7.432 1.00 41.24 H new ATOM 0 HH22 ARG A 28 20.177 -6.885 -7.434 1.00 41.24 H new TER 521 ARG A 28