USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 THR OG1 : rot -2:sc= 0.813 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.735 K(o=1.5,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0729 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 15 ASN : amide:sc= -0.463 X(o=-0.46,f=0.022) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.053 (180deg=-0.675) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 138:sc=-0.00652 (180deg=-1.44!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 86:sc= 0.328 USER MOD Single : A 49 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.0057) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 14:sc= 0.239 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0443 (180deg=-0.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 109:sc= 0.186 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.42 K(o=-0.42,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -63.001 12.378 4.454 1.00 0.00 N ATOM 2 CA GLY A 1 -62.977 11.236 5.349 1.00 0.00 C ATOM 3 C GLY A 1 -61.747 10.373 5.155 1.00 0.00 C ATOM 4 O GLY A 1 -60.752 10.817 4.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -63.155 13.247 5.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 -62.094 12.443 3.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 -63.772 12.263 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -63.012 11.586 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -63.870 10.632 5.187 1.00 0.00 H new ATOM 8 N SER A 2 -61.812 9.135 5.635 1.00 0.00 N ATOM 9 CA SER A 2 -60.692 8.209 5.517 1.00 0.00 C ATOM 10 C SER A 2 -60.951 7.181 4.419 1.00 0.00 C ATOM 11 O SER A 2 -62.022 6.579 4.357 1.00 0.00 O ATOM 12 CB SER A 2 -60.448 7.498 6.849 1.00 0.00 C ATOM 13 OG SER A 2 -60.001 8.408 7.839 1.00 0.00 O ATOM 0 H SER A 2 -62.629 8.750 6.109 1.00 0.00 H new ATOM 0 HA SER A 2 -59.804 8.783 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 -61.368 7.017 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 2 -59.707 6.710 6.714 1.00 0.00 H new ATOM 0 HG SER A 2 -59.854 7.929 8.681 1.00 0.00 H new ATOM 19 N SER A 3 -59.960 6.987 3.554 1.00 0.00 N ATOM 20 CA SER A 3 -60.081 6.035 2.456 1.00 0.00 C ATOM 21 C SER A 3 -59.578 4.657 2.874 1.00 0.00 C ATOM 22 O SER A 3 -60.332 3.684 2.878 1.00 0.00 O ATOM 23 CB SER A 3 -59.297 6.529 1.238 1.00 0.00 C ATOM 24 OG SER A 3 -60.052 7.467 0.491 1.00 0.00 O ATOM 0 H SER A 3 -59.066 7.476 3.592 1.00 0.00 H new ATOM 0 HA SER A 3 -61.135 5.953 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 -58.363 6.987 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -59.033 5.683 0.604 1.00 0.00 H new ATOM 0 HG SER A 3 -59.528 7.768 -0.281 1.00 0.00 H new ATOM 30 N GLY A 4 -58.298 4.581 3.225 1.00 0.00 N ATOM 31 CA GLY A 4 -57.716 3.319 3.640 1.00 0.00 C ATOM 32 C GLY A 4 -56.253 3.202 3.259 1.00 0.00 C ATOM 33 O GLY A 4 -55.602 4.201 2.955 1.00 0.00 O ATOM 0 H GLY A 4 -57.654 5.372 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -57.816 3.214 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -58.273 2.499 3.187 1.00 0.00 H new ATOM 37 N SER A 5 -55.735 1.978 3.277 1.00 0.00 N ATOM 38 CA SER A 5 -54.338 1.734 2.936 1.00 0.00 C ATOM 39 C SER A 5 -54.109 0.264 2.599 1.00 0.00 C ATOM 40 O SER A 5 -54.981 -0.577 2.816 1.00 0.00 O ATOM 41 CB SER A 5 -53.429 2.151 4.094 1.00 0.00 C ATOM 42 OG SER A 5 -53.790 1.485 5.291 1.00 0.00 O ATOM 0 H SER A 5 -56.261 1.140 3.524 1.00 0.00 H new ATOM 0 HA SER A 5 -54.094 2.332 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -52.392 1.924 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 5 -53.493 3.229 4.241 1.00 0.00 H new ATOM 0 HG SER A 5 -53.193 1.767 6.015 1.00 0.00 H new ATOM 48 N SER A 6 -52.930 -0.037 2.065 1.00 0.00 N ATOM 49 CA SER A 6 -52.587 -1.405 1.693 1.00 0.00 C ATOM 50 C SER A 6 -51.122 -1.700 2.001 1.00 0.00 C ATOM 51 O SER A 6 -50.382 -0.826 2.449 1.00 0.00 O ATOM 52 CB SER A 6 -52.863 -1.636 0.206 1.00 0.00 C ATOM 53 OG SER A 6 -54.207 -1.322 -0.117 1.00 0.00 O ATOM 0 H SER A 6 -52.196 0.647 1.880 1.00 0.00 H new ATOM 0 HA SER A 6 -53.208 -2.082 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -52.189 -1.023 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 -52.658 -2.676 -0.048 1.00 0.00 H new ATOM 0 HG SER A 6 -54.358 -1.476 -1.073 1.00 0.00 H new ATOM 59 N GLY A 7 -50.711 -2.941 1.758 1.00 0.00 N ATOM 60 CA GLY A 7 -49.337 -3.331 2.015 1.00 0.00 C ATOM 61 C GLY A 7 -48.461 -3.214 0.784 1.00 0.00 C ATOM 62 O GLY A 7 -48.719 -2.390 -0.094 1.00 0.00 O ATOM 0 H GLY A 7 -51.305 -3.683 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -48.928 -2.706 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -49.316 -4.359 2.376 1.00 0.00 H new ATOM 66 N MET A 8 -47.420 -4.038 0.719 1.00 0.00 N ATOM 67 CA MET A 8 -46.503 -4.022 -0.414 1.00 0.00 C ATOM 68 C MET A 8 -46.413 -5.401 -1.061 1.00 0.00 C ATOM 69 O MET A 8 -46.911 -6.385 -0.516 1.00 0.00 O ATOM 70 CB MET A 8 -45.113 -3.565 0.033 1.00 0.00 C ATOM 71 CG MET A 8 -44.422 -4.546 0.966 1.00 0.00 C ATOM 72 SD MET A 8 -44.816 -4.251 2.701 1.00 0.00 S ATOM 73 CE MET A 8 -43.236 -4.597 3.470 1.00 0.00 C ATOM 0 H MET A 8 -47.191 -4.725 1.438 1.00 0.00 H new ATOM 0 HA MET A 8 -46.890 -3.318 -1.151 1.00 0.00 H new ATOM 0 HB2 MET A 8 -44.489 -3.413 -0.848 1.00 0.00 H new ATOM 0 HB3 MET A 8 -45.200 -2.600 0.533 1.00 0.00 H new ATOM 0 HG2 MET A 8 -44.713 -5.562 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 8 -43.343 -4.476 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 8 -43.318 -4.458 4.548 1.00 0.00 H new ATOM 0 HE2 MET A 8 -42.946 -5.626 3.258 1.00 0.00 H new ATOM 0 HE3 MET A 8 -42.482 -3.918 3.073 1.00 0.00 H new ATOM 83 N ALA A 9 -45.775 -5.463 -2.225 1.00 0.00 N ATOM 84 CA ALA A 9 -45.619 -6.721 -2.944 1.00 0.00 C ATOM 85 C ALA A 9 -44.388 -6.691 -3.844 1.00 0.00 C ATOM 86 O ALA A 9 -43.930 -5.622 -4.248 1.00 0.00 O ATOM 87 CB ALA A 9 -46.866 -7.020 -3.763 1.00 0.00 C ATOM 0 H ALA A 9 -45.358 -4.657 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 9 -45.481 -7.515 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -46.735 -7.963 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -47.728 -7.094 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -47.030 -6.218 -4.482 1.00 0.00 H new ATOM 93 N SER A 10 -43.857 -7.869 -4.153 1.00 0.00 N ATOM 94 CA SER A 10 -42.676 -7.977 -5.001 1.00 0.00 C ATOM 95 C SER A 10 -42.957 -8.858 -6.215 1.00 0.00 C ATOM 96 O SER A 10 -43.961 -9.568 -6.262 1.00 0.00 O ATOM 97 CB SER A 10 -41.500 -8.546 -4.205 1.00 0.00 C ATOM 98 OG SER A 10 -41.657 -9.937 -3.987 1.00 0.00 O ATOM 0 H SER A 10 -44.226 -8.763 -3.829 1.00 0.00 H new ATOM 0 HA SER A 10 -42.418 -6.977 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 -40.570 -8.362 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 10 -41.422 -8.031 -3.247 1.00 0.00 H new ATOM 0 HG SER A 10 -40.892 -10.277 -3.478 1.00 0.00 H new ATOM 104 N GLY A 11 -42.061 -8.807 -7.196 1.00 0.00 N ATOM 105 CA GLY A 11 -42.230 -9.604 -8.397 1.00 0.00 C ATOM 106 C GLY A 11 -41.244 -10.752 -8.474 1.00 0.00 C ATOM 107 O GLY A 11 -40.394 -10.908 -7.597 1.00 0.00 O ATOM 0 H GLY A 11 -41.221 -8.228 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -43.246 -9.999 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -42.109 -8.966 -9.273 1.00 0.00 H new ATOM 111 N GLN A 12 -41.357 -11.559 -9.524 1.00 0.00 N ATOM 112 CA GLN A 12 -40.469 -12.700 -9.710 1.00 0.00 C ATOM 113 C GLN A 12 -39.726 -12.601 -11.038 1.00 0.00 C ATOM 114 O GLN A 12 -40.337 -12.621 -12.106 1.00 0.00 O ATOM 115 CB GLN A 12 -41.264 -14.006 -9.653 1.00 0.00 C ATOM 116 CG GLN A 12 -40.398 -15.236 -9.433 1.00 0.00 C ATOM 117 CD GLN A 12 -41.131 -16.343 -8.701 1.00 0.00 C ATOM 118 OE1 GLN A 12 -42.332 -16.540 -8.891 1.00 0.00 O ATOM 119 NE2 GLN A 12 -40.411 -17.073 -7.858 1.00 0.00 N ATOM 0 H GLN A 12 -42.055 -11.444 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 12 -39.736 -12.693 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -41.998 -13.940 -8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -41.819 -14.125 -10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -40.053 -15.610 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -39.512 -14.955 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -39.418 -16.875 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -40.850 -17.832 -7.337 1.00 0.00 H new ATOM 128 N PHE A 13 -38.403 -12.494 -10.963 1.00 0.00 N ATOM 129 CA PHE A 13 -37.576 -12.390 -12.159 1.00 0.00 C ATOM 130 C PHE A 13 -36.232 -13.084 -11.953 1.00 0.00 C ATOM 131 O PHE A 13 -35.820 -13.340 -10.822 1.00 0.00 O ATOM 132 CB PHE A 13 -37.353 -10.921 -12.525 1.00 0.00 C ATOM 133 CG PHE A 13 -37.013 -10.054 -11.347 1.00 0.00 C ATOM 134 CD1 PHE A 13 -35.766 -10.133 -10.749 1.00 0.00 C ATOM 135 CD2 PHE A 13 -37.941 -9.161 -10.837 1.00 0.00 C ATOM 136 CE1 PHE A 13 -35.451 -9.337 -9.663 1.00 0.00 C ATOM 137 CE2 PHE A 13 -37.632 -8.362 -9.752 1.00 0.00 C ATOM 138 CZ PHE A 13 -36.385 -8.450 -9.165 1.00 0.00 C ATOM 0 H PHE A 13 -37.881 -12.477 -10.087 1.00 0.00 H new ATOM 0 HA PHE A 13 -38.100 -12.885 -12.977 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -36.549 -10.856 -13.258 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -38.253 -10.534 -13.003 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -35.031 -10.824 -11.135 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -38.918 -9.088 -11.292 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -34.476 -9.409 -9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -38.365 -7.670 -9.364 1.00 0.00 H new ATOM 0 HZ PHE A 13 -36.141 -7.826 -8.318 1.00 0.00 H new ATOM 148 N VAL A 14 -35.554 -13.386 -13.056 1.00 0.00 N ATOM 149 CA VAL A 14 -34.257 -14.050 -12.997 1.00 0.00 C ATOM 150 C VAL A 14 -33.374 -13.436 -11.917 1.00 0.00 C ATOM 151 O VAL A 14 -32.907 -12.306 -12.050 1.00 0.00 O ATOM 152 CB VAL A 14 -33.525 -13.970 -14.350 1.00 0.00 C ATOM 153 CG1 VAL A 14 -32.155 -14.624 -14.255 1.00 0.00 C ATOM 154 CG2 VAL A 14 -34.358 -14.617 -15.446 1.00 0.00 C ATOM 0 H VAL A 14 -35.881 -13.182 -14.000 1.00 0.00 H new ATOM 0 HA VAL A 14 -34.447 -15.096 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 14 -33.384 -12.920 -14.605 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -31.653 -14.558 -15.220 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -31.559 -14.112 -13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -32.270 -15.672 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -33.825 -14.551 -16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -34.533 -15.664 -15.200 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -35.314 -14.100 -15.530 1.00 0.00 H new ATOM 164 N ASN A 15 -33.148 -14.191 -10.846 1.00 0.00 N ATOM 165 CA ASN A 15 -32.321 -13.721 -9.741 1.00 0.00 C ATOM 166 C ASN A 15 -30.856 -13.630 -10.159 1.00 0.00 C ATOM 167 O ASN A 15 -30.060 -14.525 -9.875 1.00 0.00 O ATOM 168 CB ASN A 15 -32.461 -14.656 -8.538 1.00 0.00 C ATOM 169 CG ASN A 15 -32.628 -16.106 -8.949 1.00 0.00 C ATOM 170 OD1 ASN A 15 -31.866 -16.623 -9.766 1.00 0.00 O ATOM 171 ND2 ASN A 15 -33.629 -16.770 -8.382 1.00 0.00 N ATOM 0 H ASN A 15 -33.526 -15.130 -10.721 1.00 0.00 H new ATOM 0 HA ASN A 15 -32.664 -12.725 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -31.580 -14.560 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -33.320 -14.349 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -33.791 -17.749 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -34.236 -16.301 -7.710 1.00 0.00 H new ATOM 178 N LYS A 16 -30.507 -12.541 -10.836 1.00 0.00 N ATOM 179 CA LYS A 16 -29.138 -12.329 -11.292 1.00 0.00 C ATOM 180 C LYS A 16 -28.302 -11.653 -10.210 1.00 0.00 C ATOM 181 O LYS A 16 -28.769 -10.737 -9.533 1.00 0.00 O ATOM 182 CB LYS A 16 -29.129 -11.479 -12.565 1.00 0.00 C ATOM 183 CG LYS A 16 -27.739 -11.243 -13.128 1.00 0.00 C ATOM 184 CD LYS A 16 -27.110 -9.985 -12.552 1.00 0.00 C ATOM 185 CE LYS A 16 -27.436 -8.762 -13.395 1.00 0.00 C ATOM 186 NZ LYS A 16 -28.696 -8.102 -12.952 1.00 0.00 N ATOM 0 H LYS A 16 -31.154 -11.791 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.699 -13.303 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.741 -11.968 -13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -29.594 -10.516 -12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.105 -12.102 -12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.795 -11.159 -14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.467 -9.832 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.029 -10.111 -12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.613 -8.050 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.528 -9.056 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.699 -7.111 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.512 -8.599 -13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.758 -8.134 -11.914 1.00 0.00 H new ATOM 200 N LEU A 17 -27.065 -12.109 -10.054 1.00 0.00 N ATOM 201 CA LEU A 17 -26.162 -11.547 -9.056 1.00 0.00 C ATOM 202 C LEU A 17 -24.995 -10.826 -9.721 1.00 0.00 C ATOM 203 O LEU A 17 -24.773 -10.963 -10.924 1.00 0.00 O ATOM 204 CB LEU A 17 -25.637 -12.651 -8.135 1.00 0.00 C ATOM 205 CG LEU A 17 -25.472 -14.032 -8.770 1.00 0.00 C ATOM 206 CD1 LEU A 17 -26.830 -14.650 -9.065 1.00 0.00 C ATOM 207 CD2 LEU A 17 -24.640 -13.939 -10.041 1.00 0.00 C ATOM 0 H LEU A 17 -26.664 -12.867 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.721 -10.823 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.671 -12.337 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -26.315 -12.742 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.949 -14.675 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.692 -15.632 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -27.392 -14.753 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.380 -14.008 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.533 -14.931 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.136 -13.279 -10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -23.654 -13.540 -9.802 1.00 0.00 H new ATOM 219 N GLN A 18 -24.251 -10.059 -8.930 1.00 0.00 N ATOM 220 CA GLN A 18 -23.106 -9.317 -9.443 1.00 0.00 C ATOM 221 C GLN A 18 -21.851 -9.624 -8.632 1.00 0.00 C ATOM 222 O GLN A 18 -21.637 -9.053 -7.563 1.00 0.00 O ATOM 223 CB GLN A 18 -23.390 -7.814 -9.415 1.00 0.00 C ATOM 224 CG GLN A 18 -24.278 -7.342 -10.555 1.00 0.00 C ATOM 225 CD GLN A 18 -23.507 -7.114 -11.840 1.00 0.00 C ATOM 226 OE1 GLN A 18 -22.965 -6.032 -12.068 1.00 0.00 O ATOM 227 NE2 GLN A 18 -23.453 -8.134 -12.688 1.00 0.00 N ATOM 0 H GLN A 18 -24.421 -9.936 -7.932 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.936 -9.628 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.864 -7.560 -8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -22.444 -7.273 -9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -25.060 -8.081 -10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -24.774 -6.416 -10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.917 -9.013 -12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.948 -8.039 -13.569 1.00 0.00 H new ATOM 236 N GLU A 19 -21.025 -10.529 -9.148 1.00 0.00 N ATOM 237 CA GLU A 19 -19.793 -10.912 -8.470 1.00 0.00 C ATOM 238 C GLU A 19 -18.644 -9.989 -8.866 1.00 0.00 C ATOM 239 O GLU A 19 -17.528 -10.442 -9.117 1.00 0.00 O ATOM 240 CB GLU A 19 -19.432 -12.362 -8.800 1.00 0.00 C ATOM 241 CG GLU A 19 -18.352 -12.940 -7.901 1.00 0.00 C ATOM 242 CD GLU A 19 -18.909 -13.507 -6.610 1.00 0.00 C ATOM 243 OE1 GLU A 19 -19.333 -14.682 -6.611 1.00 0.00 O ATOM 244 OE2 GLU A 19 -18.920 -12.776 -5.597 1.00 0.00 O ATOM 0 H GLU A 19 -21.187 -11.010 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 19 -19.957 -10.821 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.328 -12.978 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.099 -12.418 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.819 -13.725 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.624 -12.163 -7.668 1.00 0.00 H new ATOM 251 N GLU A 20 -18.928 -8.691 -8.920 1.00 0.00 N ATOM 252 CA GLU A 20 -17.919 -7.704 -9.287 1.00 0.00 C ATOM 253 C GLU A 20 -16.907 -7.516 -8.161 1.00 0.00 C ATOM 254 O GLU A 20 -17.082 -8.037 -7.059 1.00 0.00 O ATOM 255 CB GLU A 20 -18.581 -6.365 -9.620 1.00 0.00 C ATOM 256 CG GLU A 20 -19.176 -5.663 -8.412 1.00 0.00 C ATOM 257 CD GLU A 20 -20.134 -4.551 -8.796 1.00 0.00 C ATOM 258 OE1 GLU A 20 -20.018 -4.031 -9.925 1.00 0.00 O ATOM 259 OE2 GLU A 20 -20.999 -4.202 -7.966 1.00 0.00 O ATOM 0 H GLU A 20 -19.847 -8.299 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.393 -8.071 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.843 -5.710 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -19.367 -6.531 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.701 -6.392 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.371 -5.250 -7.804 1.00 0.00 H new ATOM 266 N VAL A 21 -15.845 -6.768 -8.446 1.00 0.00 N ATOM 267 CA VAL A 21 -14.804 -6.511 -7.458 1.00 0.00 C ATOM 268 C VAL A 21 -14.719 -5.026 -7.124 1.00 0.00 C ATOM 269 O VAL A 21 -14.784 -4.175 -8.011 1.00 0.00 O ATOM 270 CB VAL A 21 -13.428 -6.994 -7.954 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.896 -6.068 -9.038 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.448 -7.089 -6.795 1.00 0.00 C ATOM 0 H VAL A 21 -15.683 -6.330 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.074 -7.068 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.545 -7.989 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.923 -6.425 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.590 -6.055 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.793 -5.060 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.481 -7.432 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.334 -6.108 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.826 -7.796 -6.056 1.00 0.00 H new ATOM 282 N ILE A 22 -14.572 -4.722 -5.839 1.00 0.00 N ATOM 283 CA ILE A 22 -14.477 -3.340 -5.387 1.00 0.00 C ATOM 284 C ILE A 22 -13.179 -3.099 -4.624 1.00 0.00 C ATOM 285 O ILE A 22 -12.594 -4.027 -4.064 1.00 0.00 O ATOM 286 CB ILE A 22 -15.667 -2.958 -4.487 1.00 0.00 C ATOM 287 CG1 ILE A 22 -16.910 -3.757 -4.881 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.941 -1.464 -4.576 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.071 -3.579 -3.928 1.00 0.00 C ATOM 0 H ILE A 22 -14.516 -5.415 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.492 -2.715 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.415 -3.200 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.223 -3.457 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.651 -4.815 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.785 -1.210 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.059 -0.912 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.176 -1.198 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.917 -4.175 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.777 -3.906 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.357 -2.528 -3.895 1.00 0.00 H new ATOM 301 N CYS A 23 -12.734 -1.847 -4.605 1.00 0.00 N ATOM 302 CA CYS A 23 -11.505 -1.482 -3.909 1.00 0.00 C ATOM 303 C CYS A 23 -11.727 -1.440 -2.400 1.00 0.00 C ATOM 304 O CYS A 23 -12.520 -0.651 -1.886 1.00 0.00 O ATOM 305 CB CYS A 23 -11.001 -0.124 -4.400 1.00 0.00 C ATOM 306 SG CYS A 23 -9.336 0.311 -3.802 1.00 0.00 S ATOM 0 H CYS A 23 -13.206 -1.068 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.754 -2.241 -4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.996 -0.123 -5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.702 0.648 -4.084 1.00 0.00 H new ATOM 311 N PRO A 24 -11.009 -2.308 -1.672 1.00 0.00 N ATOM 312 CA PRO A 24 -11.109 -2.389 -0.212 1.00 0.00 C ATOM 313 C PRO A 24 -10.512 -1.167 0.479 1.00 0.00 C ATOM 314 O PRO A 24 -10.466 -1.098 1.707 1.00 0.00 O ATOM 315 CB PRO A 24 -10.301 -3.644 0.130 1.00 0.00 C ATOM 316 CG PRO A 24 -9.336 -3.791 -0.996 1.00 0.00 C ATOM 317 CD PRO A 24 -10.045 -3.278 -2.219 1.00 0.00 C ATOM 0 HA PRO A 24 -12.145 -2.428 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.784 -3.534 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.946 -4.519 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.425 -3.223 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.041 -4.833 -1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.353 -2.807 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.546 -4.081 -2.760 1.00 0.00 H new ATOM 325 N ILE A 25 -10.058 -0.206 -0.318 1.00 0.00 N ATOM 326 CA ILE A 25 -9.467 1.014 0.217 1.00 0.00 C ATOM 327 C ILE A 25 -10.477 2.156 0.228 1.00 0.00 C ATOM 328 O ILE A 25 -10.705 2.788 1.260 1.00 0.00 O ATOM 329 CB ILE A 25 -8.232 1.444 -0.596 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.157 0.357 -0.546 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.684 2.762 -0.069 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.918 0.694 -1.346 1.00 0.00 C ATOM 0 H ILE A 25 -10.088 -0.249 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.161 0.794 1.240 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.531 1.586 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.873 0.186 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.578 -0.576 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.811 3.053 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.450 3.533 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.398 2.645 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.199 -0.122 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.188 0.837 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.473 1.610 -0.958 1.00 0.00 H new ATOM 344 N CYS A 26 -11.083 2.414 -0.926 1.00 0.00 N ATOM 345 CA CYS A 26 -12.071 3.479 -1.050 1.00 0.00 C ATOM 346 C CYS A 26 -13.480 2.903 -1.160 1.00 0.00 C ATOM 347 O CYS A 26 -14.468 3.600 -0.924 1.00 0.00 O ATOM 348 CB CYS A 26 -11.766 4.346 -2.273 1.00 0.00 C ATOM 349 SG CYS A 26 -11.540 3.404 -3.815 1.00 0.00 S ATOM 0 H CYS A 26 -10.907 1.900 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.018 4.096 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.579 5.059 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.863 4.925 -2.078 1.00 0.00 H new ATOM 354 N LEU A 27 -13.565 1.627 -1.519 1.00 0.00 N ATOM 355 CA LEU A 27 -14.853 0.956 -1.660 1.00 0.00 C ATOM 356 C LEU A 27 -15.608 1.477 -2.880 1.00 0.00 C ATOM 357 O LEU A 27 -16.815 1.709 -2.822 1.00 0.00 O ATOM 358 CB LEU A 27 -15.696 1.158 -0.400 1.00 0.00 C ATOM 359 CG LEU A 27 -14.942 1.099 0.929 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.819 1.607 2.063 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.469 -0.319 1.211 1.00 0.00 C ATOM 0 H LEU A 27 -12.758 1.036 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.667 -0.109 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.192 2.126 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.478 0.399 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.067 1.745 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.266 1.558 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.107 2.640 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.713 0.988 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.934 -0.342 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.329 -0.986 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.804 -0.646 0.412 1.00 0.00 H new ATOM 373 N ASP A 28 -14.888 1.657 -3.982 1.00 0.00 N ATOM 374 CA ASP A 28 -15.490 2.147 -5.216 1.00 0.00 C ATOM 375 C ASP A 28 -15.364 1.112 -6.330 1.00 0.00 C ATOM 376 O ASP A 28 -14.345 0.431 -6.445 1.00 0.00 O ATOM 377 CB ASP A 28 -14.830 3.458 -5.645 1.00 0.00 C ATOM 378 CG ASP A 28 -15.369 3.973 -6.965 1.00 0.00 C ATOM 379 OD1 ASP A 28 -14.886 3.514 -8.021 1.00 0.00 O ATOM 380 OD2 ASP A 28 -16.272 4.835 -6.942 1.00 0.00 O ATOM 0 H ASP A 28 -13.887 1.471 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.549 2.326 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.988 4.211 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.753 3.309 -5.729 1.00 0.00 H new ATOM 385 N ILE A 29 -16.406 1.000 -7.147 1.00 0.00 N ATOM 386 CA ILE A 29 -16.411 0.049 -8.251 1.00 0.00 C ATOM 387 C ILE A 29 -15.072 0.044 -8.980 1.00 0.00 C ATOM 388 O ILE A 29 -14.792 0.925 -9.795 1.00 0.00 O ATOM 389 CB ILE A 29 -17.531 0.364 -9.261 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.889 0.394 -8.557 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.533 -0.660 -10.386 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.022 -0.636 -7.457 1.00 0.00 C ATOM 0 H ILE A 29 -17.257 1.556 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.589 -0.935 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.345 1.348 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.049 1.386 -8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.675 0.230 -9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.330 -0.424 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.573 -0.636 -10.902 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.698 -1.655 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.009 -0.557 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.894 -1.634 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.258 -0.460 -6.699 1.00 0.00 H new ATOM 404 N LEU A 30 -14.246 -0.953 -8.682 1.00 0.00 N ATOM 405 CA LEU A 30 -12.935 -1.075 -9.310 1.00 0.00 C ATOM 406 C LEU A 30 -13.063 -1.152 -10.828 1.00 0.00 C ATOM 407 O LEU A 30 -13.082 -2.239 -11.404 1.00 0.00 O ATOM 408 CB LEU A 30 -12.209 -2.314 -8.784 1.00 0.00 C ATOM 409 CG LEU A 30 -11.365 -2.114 -7.525 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.950 -3.456 -6.942 1.00 0.00 C ATOM 411 CD2 LEU A 30 -10.141 -1.263 -7.833 1.00 0.00 C ATOM 0 H LEU A 30 -14.461 -1.689 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.355 -0.187 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.951 -3.086 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.562 -2.694 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.970 -1.591 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.350 -3.294 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.839 -4.031 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.363 -4.006 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.552 -1.131 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.534 -1.759 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.459 -0.289 -8.204 1.00 0.00 H new ATOM 423 N GLN A 31 -13.149 0.009 -11.469 1.00 0.00 N ATOM 424 CA GLN A 31 -13.273 0.073 -12.921 1.00 0.00 C ATOM 425 C GLN A 31 -11.949 -0.268 -13.596 1.00 0.00 C ATOM 426 O GLN A 31 -11.923 -0.907 -14.648 1.00 0.00 O ATOM 427 CB GLN A 31 -13.737 1.464 -13.354 1.00 0.00 C ATOM 428 CG GLN A 31 -14.160 1.539 -14.812 1.00 0.00 C ATOM 429 CD GLN A 31 -12.994 1.801 -15.745 1.00 0.00 C ATOM 430 OE1 GLN A 31 -12.469 0.883 -16.375 1.00 0.00 O ATOM 431 NE2 GLN A 31 -12.582 3.060 -15.838 1.00 0.00 N ATOM 0 H GLN A 31 -13.135 0.918 -11.006 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.017 -0.662 -13.229 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.573 1.771 -12.726 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.931 2.177 -13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.644 0.604 -15.095 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.901 2.330 -14.931 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.046 3.790 -15.297 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.801 3.297 -16.450 1.00 0.00 H new ATOM 440 N LYS A 32 -10.851 0.162 -12.985 1.00 0.00 N ATOM 441 CA LYS A 32 -9.522 -0.097 -13.525 1.00 0.00 C ATOM 442 C LYS A 32 -8.591 -0.638 -12.445 1.00 0.00 C ATOM 443 O LYS A 32 -7.617 0.005 -12.052 1.00 0.00 O ATOM 444 CB LYS A 32 -8.934 1.182 -14.126 1.00 0.00 C ATOM 445 CG LYS A 32 -9.468 2.454 -13.490 1.00 0.00 C ATOM 446 CD LYS A 32 -8.769 2.756 -12.175 1.00 0.00 C ATOM 447 CE LYS A 32 -9.529 3.794 -11.365 1.00 0.00 C ATOM 448 NZ LYS A 32 -10.580 3.173 -10.513 1.00 0.00 N ATOM 0 H LYS A 32 -10.855 0.692 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.617 -0.849 -14.308 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.850 1.159 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.147 1.203 -15.195 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.331 3.290 -14.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.540 2.354 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.673 1.839 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.759 3.115 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.831 4.346 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.989 4.516 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.577 3.623 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.511 3.305 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.387 2.156 -10.410 1.00 0.00 H new ATOM 462 N PRO A 33 -8.894 -1.848 -11.953 1.00 0.00 N ATOM 463 CA PRO A 33 -8.096 -2.503 -10.912 1.00 0.00 C ATOM 464 C PRO A 33 -6.729 -2.945 -11.423 1.00 0.00 C ATOM 465 O PRO A 33 -6.566 -3.253 -12.604 1.00 0.00 O ATOM 466 CB PRO A 33 -8.942 -3.719 -10.527 1.00 0.00 C ATOM 467 CG PRO A 33 -9.766 -4.004 -11.735 1.00 0.00 C ATOM 468 CD PRO A 33 -10.041 -2.671 -12.374 1.00 0.00 C ATOM 0 HA PRO A 33 -7.885 -1.833 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.315 -4.571 -10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.569 -3.507 -9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.236 -4.664 -12.422 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.695 -4.506 -11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.102 -2.751 -13.459 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.986 -2.249 -12.032 1.00 0.00 H new ATOM 476 N VAL A 34 -5.748 -2.976 -10.526 1.00 0.00 N ATOM 477 CA VAL A 34 -4.395 -3.383 -10.887 1.00 0.00 C ATOM 478 C VAL A 34 -3.839 -4.389 -9.885 1.00 0.00 C ATOM 479 O VAL A 34 -3.904 -4.178 -8.674 1.00 0.00 O ATOM 480 CB VAL A 34 -3.446 -2.172 -10.962 1.00 0.00 C ATOM 481 CG1 VAL A 34 -2.023 -2.626 -11.249 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.924 -1.187 -12.018 1.00 0.00 C ATOM 0 H VAL A 34 -5.865 -2.724 -9.545 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.456 -3.849 -11.871 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.452 -1.666 -9.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.367 -1.757 -11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.686 -3.291 -10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.995 -3.156 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.242 -0.337 -12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.948 -1.679 -12.990 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.925 -0.838 -11.763 1.00 0.00 H new ATOM 492 N THR A 35 -3.290 -5.486 -10.399 1.00 0.00 N ATOM 493 CA THR A 35 -2.723 -6.526 -9.551 1.00 0.00 C ATOM 494 C THR A 35 -1.211 -6.371 -9.427 1.00 0.00 C ATOM 495 O THR A 35 -0.482 -6.506 -10.409 1.00 0.00 O ATOM 496 CB THR A 35 -3.040 -7.931 -10.096 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.442 -8.048 -10.363 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.616 -9.005 -9.105 1.00 0.00 C ATOM 0 H THR A 35 -3.226 -5.676 -11.399 1.00 0.00 H new ATOM 0 HA THR A 35 -3.179 -6.415 -8.567 1.00 0.00 H new ATOM 0 HB THR A 35 -2.481 -8.072 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.894 -7.218 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.850 -9.989 -9.512 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.543 -8.932 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.151 -8.865 -8.166 1.00 0.00 H new ATOM 506 N ILE A 36 -0.748 -6.086 -8.215 1.00 0.00 N ATOM 507 CA ILE A 36 0.678 -5.914 -7.963 1.00 0.00 C ATOM 508 C ILE A 36 1.349 -7.251 -7.668 1.00 0.00 C ATOM 509 O ILE A 36 0.716 -8.305 -7.742 1.00 0.00 O ATOM 510 CB ILE A 36 0.930 -4.955 -6.785 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.203 -5.448 -5.532 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.481 -3.546 -7.144 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.432 -4.576 -4.318 1.00 0.00 C ATOM 0 H ILE A 36 -1.339 -5.969 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 36 1.109 -5.486 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 36 2.000 -4.933 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.866 -5.497 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.531 -6.463 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.665 -2.880 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.039 -3.196 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.584 -3.551 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.113 -4.986 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.497 -4.547 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.078 -3.566 -4.524 1.00 0.00 H new ATOM 525 N ASP A 37 2.633 -7.201 -7.332 1.00 0.00 N ATOM 526 CA ASP A 37 3.390 -8.408 -7.022 1.00 0.00 C ATOM 527 C ASP A 37 2.773 -9.148 -5.840 1.00 0.00 C ATOM 528 O ASP A 37 2.632 -10.372 -5.865 1.00 0.00 O ATOM 529 CB ASP A 37 4.847 -8.057 -6.716 1.00 0.00 C ATOM 530 CG ASP A 37 5.654 -9.264 -6.278 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.316 -9.856 -5.232 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.622 -9.616 -6.982 1.00 0.00 O ATOM 0 H ASP A 37 3.172 -6.337 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 37 3.357 -9.062 -7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.306 -7.619 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.878 -7.299 -5.933 1.00 0.00 H new ATOM 537 N CYS A 38 2.407 -8.400 -4.805 1.00 0.00 N ATOM 538 CA CYS A 38 1.807 -8.984 -3.612 1.00 0.00 C ATOM 539 C CYS A 38 0.723 -9.992 -3.987 1.00 0.00 C ATOM 540 O CYS A 38 0.657 -11.085 -3.427 1.00 0.00 O ATOM 541 CB CYS A 38 1.214 -7.888 -2.725 1.00 0.00 C ATOM 542 SG CYS A 38 -0.522 -7.483 -3.102 1.00 0.00 S ATOM 0 H CYS A 38 2.516 -7.386 -4.769 1.00 0.00 H new ATOM 0 HA CYS A 38 2.589 -9.505 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.285 -8.201 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.817 -6.986 -2.829 1.00 0.00 H new ATOM 547 N GLY A 39 -0.125 -9.614 -4.939 1.00 0.00 N ATOM 548 CA GLY A 39 -1.194 -10.495 -5.372 1.00 0.00 C ATOM 549 C GLY A 39 -2.565 -9.974 -4.991 1.00 0.00 C ATOM 550 O GLY A 39 -3.470 -10.752 -4.687 1.00 0.00 O ATOM 0 H GLY A 39 -0.091 -8.714 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.143 -10.618 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.048 -11.481 -4.932 1.00 0.00 H new ATOM 554 N HIS A 40 -2.720 -8.654 -5.004 1.00 0.00 N ATOM 555 CA HIS A 40 -3.991 -8.029 -4.656 1.00 0.00 C ATOM 556 C HIS A 40 -4.409 -7.018 -5.719 1.00 0.00 C ATOM 557 O HIS A 40 -3.567 -6.447 -6.411 1.00 0.00 O ATOM 558 CB HIS A 40 -3.889 -7.342 -3.294 1.00 0.00 C ATOM 559 CG HIS A 40 -3.820 -8.300 -2.144 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.226 -7.987 -0.940 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.275 -9.568 -2.019 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.317 -9.023 -0.124 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.951 -9.995 -0.755 1.00 0.00 N ATOM 0 H HIS A 40 -1.981 -7.996 -5.252 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.750 -8.810 -4.605 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.003 -6.708 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.751 -6.688 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.796 -10.138 -2.773 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.938 -9.067 0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.165 -10.913 -0.366 1.00 0.00 H new ATOM 571 N ASN A 41 -5.715 -6.803 -5.843 1.00 0.00 N ATOM 572 CA ASN A 41 -6.244 -5.861 -6.823 1.00 0.00 C ATOM 573 C ASN A 41 -6.674 -4.561 -6.151 1.00 0.00 C ATOM 574 O ASN A 41 -7.430 -4.572 -5.179 1.00 0.00 O ATOM 575 CB ASN A 41 -7.429 -6.480 -7.567 1.00 0.00 C ATOM 576 CG ASN A 41 -6.993 -7.333 -8.742 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.680 -6.818 -9.816 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.970 -8.646 -8.543 1.00 0.00 N ATOM 0 H ASN A 41 -6.426 -7.268 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.452 -5.635 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.010 -7.090 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.086 -5.686 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.685 -9.271 -9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.238 -9.029 -7.636 1.00 0.00 H new ATOM 585 N PHE A 42 -6.187 -3.441 -6.676 1.00 0.00 N ATOM 586 CA PHE A 42 -6.521 -2.132 -6.127 1.00 0.00 C ATOM 587 C PHE A 42 -6.867 -1.147 -7.240 1.00 0.00 C ATOM 588 O PHE A 42 -6.577 -1.390 -8.412 1.00 0.00 O ATOM 589 CB PHE A 42 -5.354 -1.591 -5.297 1.00 0.00 C ATOM 590 CG PHE A 42 -5.113 -2.359 -4.029 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.988 -2.249 -2.960 1.00 0.00 C ATOM 592 CD2 PHE A 42 -4.012 -3.191 -3.906 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.770 -2.954 -1.792 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.789 -3.899 -2.740 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.668 -3.780 -1.682 1.00 0.00 C ATOM 0 H PHE A 42 -5.560 -3.414 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.393 -2.247 -5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.448 -1.611 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.548 -0.548 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.851 -1.604 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.321 -3.287 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.460 -2.860 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.928 -4.545 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.494 -4.332 -0.770 1.00 0.00 H new ATOM 605 N CYS A 43 -7.491 -0.035 -6.865 1.00 0.00 N ATOM 606 CA CYS A 43 -7.879 0.986 -7.830 1.00 0.00 C ATOM 607 C CYS A 43 -6.766 2.014 -8.011 1.00 0.00 C ATOM 608 O CYS A 43 -6.150 2.457 -7.041 1.00 0.00 O ATOM 609 CB CYS A 43 -9.163 1.684 -7.377 1.00 0.00 C ATOM 610 SG CYS A 43 -8.883 3.163 -6.350 1.00 0.00 S ATOM 0 H CYS A 43 -7.739 0.182 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.057 0.496 -8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.738 1.970 -8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.771 0.975 -6.815 1.00 0.00 H new ATOM 615 N LEU A 44 -6.513 2.390 -9.260 1.00 0.00 N ATOM 616 CA LEU A 44 -5.474 3.366 -9.570 1.00 0.00 C ATOM 617 C LEU A 44 -5.557 4.566 -8.633 1.00 0.00 C ATOM 618 O LEU A 44 -4.567 4.951 -8.010 1.00 0.00 O ATOM 619 CB LEU A 44 -5.599 3.829 -11.023 1.00 0.00 C ATOM 620 CG LEU A 44 -4.551 4.836 -11.498 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.168 4.204 -11.507 1.00 0.00 C ATOM 622 CD2 LEU A 44 -4.908 5.364 -12.881 1.00 0.00 C ATOM 0 H LEU A 44 -7.013 2.034 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.506 2.886 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.550 2.952 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.586 4.270 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.539 5.675 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.436 4.936 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.911 3.876 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.164 3.347 -12.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.152 6.079 -13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.948 4.535 -13.588 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.880 5.856 -12.843 1.00 0.00 H new ATOM 634 N LYS A 45 -6.745 5.152 -8.535 1.00 0.00 N ATOM 635 CA LYS A 45 -6.961 6.307 -7.671 1.00 0.00 C ATOM 636 C LYS A 45 -6.340 6.080 -6.296 1.00 0.00 C ATOM 637 O LYS A 45 -5.948 7.030 -5.616 1.00 0.00 O ATOM 638 CB LYS A 45 -8.458 6.590 -7.526 1.00 0.00 C ATOM 639 CG LYS A 45 -8.840 7.168 -6.175 1.00 0.00 C ATOM 640 CD LYS A 45 -10.066 8.060 -6.276 1.00 0.00 C ATOM 641 CE LYS A 45 -9.740 9.380 -6.957 1.00 0.00 C ATOM 642 NZ LYS A 45 -10.926 10.280 -7.019 1.00 0.00 N ATOM 0 H LYS A 45 -7.574 4.846 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.478 7.169 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.765 7.284 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.011 5.664 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.036 6.357 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.004 7.741 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.847 7.544 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.461 8.252 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.934 9.878 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.377 9.188 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.663 11.169 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.686 9.816 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.258 10.484 -6.055 1.00 0.00 H new ATOM 656 N CYS A 46 -6.253 4.818 -5.892 1.00 0.00 N ATOM 657 CA CYS A 46 -5.679 4.466 -4.599 1.00 0.00 C ATOM 658 C CYS A 46 -4.194 4.141 -4.733 1.00 0.00 C ATOM 659 O CYS A 46 -3.339 4.884 -4.249 1.00 0.00 O ATOM 660 CB CYS A 46 -6.421 3.272 -3.996 1.00 0.00 C ATOM 661 SG CYS A 46 -7.811 3.731 -2.911 1.00 0.00 S ATOM 0 H CYS A 46 -6.573 4.021 -6.442 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.787 5.325 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.797 2.645 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.714 2.668 -3.427 1.00 0.00 H new ATOM 666 N ILE A 47 -3.896 3.026 -5.391 1.00 0.00 N ATOM 667 CA ILE A 47 -2.515 2.603 -5.590 1.00 0.00 C ATOM 668 C ILE A 47 -1.604 3.800 -5.842 1.00 0.00 C ATOM 669 O ILE A 47 -0.437 3.802 -5.449 1.00 0.00 O ATOM 670 CB ILE A 47 -2.391 1.621 -6.770 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.238 0.373 -6.513 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.934 1.243 -6.993 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.356 -0.536 -7.717 1.00 0.00 C ATOM 0 H ILE A 47 -4.592 2.399 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.205 2.099 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.761 2.109 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.803 -0.188 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.236 0.679 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.862 0.549 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.355 2.140 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.539 0.770 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.970 -1.400 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.819 0.008 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.364 -0.872 -8.018 1.00 0.00 H new ATOM 685 N THR A 48 -2.146 4.821 -6.501 1.00 0.00 N ATOM 686 CA THR A 48 -1.384 6.025 -6.806 1.00 0.00 C ATOM 687 C THR A 48 -1.347 6.969 -5.610 1.00 0.00 C ATOM 688 O THR A 48 -0.274 7.332 -5.128 1.00 0.00 O ATOM 689 CB THR A 48 -1.973 6.771 -8.017 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.057 5.890 -9.143 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.121 7.979 -8.375 1.00 0.00 C ATOM 0 H THR A 48 -3.110 4.837 -6.833 1.00 0.00 H new ATOM 0 HA THR A 48 -0.370 5.705 -7.045 1.00 0.00 H new ATOM 0 HB THR A 48 -2.972 7.116 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.900 5.391 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.557 8.490 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.084 8.662 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.111 7.652 -8.622 1.00 0.00 H new ATOM 699 N GLN A 49 -2.524 7.363 -5.136 1.00 0.00 N ATOM 700 CA GLN A 49 -2.625 8.266 -3.996 1.00 0.00 C ATOM 701 C GLN A 49 -1.635 7.876 -2.903 1.00 0.00 C ATOM 702 O GLN A 49 -0.923 8.725 -2.366 1.00 0.00 O ATOM 703 CB GLN A 49 -4.049 8.258 -3.436 1.00 0.00 C ATOM 704 CG GLN A 49 -4.993 9.204 -4.161 1.00 0.00 C ATOM 705 CD GLN A 49 -4.874 10.634 -3.673 1.00 0.00 C ATOM 706 OE1 GLN A 49 -4.594 11.547 -4.452 1.00 0.00 O ATOM 707 NE2 GLN A 49 -5.087 10.838 -2.379 1.00 0.00 N ATOM 0 H GLN A 49 -3.421 7.071 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.382 9.272 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.448 7.245 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.017 8.528 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.784 9.170 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.019 8.862 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.316 10.053 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.021 11.780 -1.994 1.00 0.00 H new ATOM 716 N ILE A 50 -1.595 6.588 -2.580 1.00 0.00 N ATOM 717 CA ILE A 50 -0.692 6.087 -1.552 1.00 0.00 C ATOM 718 C ILE A 50 0.690 6.719 -1.678 1.00 0.00 C ATOM 719 O ILE A 50 1.282 7.146 -0.688 1.00 0.00 O ATOM 720 CB ILE A 50 -0.551 4.555 -1.624 1.00 0.00 C ATOM 721 CG1 ILE A 50 -1.909 3.885 -1.404 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.460 4.066 -0.598 1.00 0.00 C ATOM 723 CD1 ILE A 50 -1.941 2.431 -1.820 1.00 0.00 C ATOM 0 H ILE A 50 -2.177 5.873 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.127 6.359 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.190 4.285 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.174 3.958 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.669 4.431 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.548 2.981 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.430 4.521 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.127 4.345 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.934 2.022 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.707 2.351 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.205 1.871 -1.243 1.00 0.00 H new ATOM 735 N GLY A 51 1.198 6.778 -2.906 1.00 0.00 N ATOM 736 CA GLY A 51 2.506 7.361 -3.140 1.00 0.00 C ATOM 737 C GLY A 51 2.774 8.560 -2.252 1.00 0.00 C ATOM 738 O GLY A 51 1.846 9.265 -1.856 1.00 0.00 O ATOM 0 H GLY A 51 0.727 6.433 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.273 6.606 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.585 7.662 -4.185 1.00 0.00 H new ATOM 742 N GLU A 52 4.045 8.791 -1.938 1.00 0.00 N ATOM 743 CA GLU A 52 4.430 9.911 -1.089 1.00 0.00 C ATOM 744 C GLU A 52 5.237 10.939 -1.877 1.00 0.00 C ATOM 745 O GLU A 52 5.003 12.143 -1.772 1.00 0.00 O ATOM 746 CB GLU A 52 5.244 9.416 0.108 1.00 0.00 C ATOM 747 CG GLU A 52 6.569 8.781 -0.278 1.00 0.00 C ATOM 748 CD GLU A 52 7.265 8.123 0.898 1.00 0.00 C ATOM 749 OE1 GLU A 52 6.600 7.362 1.631 1.00 0.00 O ATOM 750 OE2 GLU A 52 8.475 8.370 1.085 1.00 0.00 O ATOM 0 H GLU A 52 4.825 8.217 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 52 3.520 10.389 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.434 10.254 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.651 8.690 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.398 8.038 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.223 9.543 -0.703 1.00 0.00 H new ATOM 757 N THR A 53 6.190 10.454 -2.668 1.00 0.00 N ATOM 758 CA THR A 53 7.033 11.329 -3.473 1.00 0.00 C ATOM 759 C THR A 53 6.962 10.956 -4.949 1.00 0.00 C ATOM 760 O THR A 53 6.726 11.809 -5.804 1.00 0.00 O ATOM 761 CB THR A 53 8.502 11.273 -3.011 1.00 0.00 C ATOM 762 OG1 THR A 53 8.594 11.626 -1.626 1.00 0.00 O ATOM 763 CG2 THR A 53 9.365 12.215 -3.838 1.00 0.00 C ATOM 0 H THR A 53 6.397 9.460 -2.768 1.00 0.00 H new ATOM 0 HA THR A 53 6.655 12.343 -3.339 1.00 0.00 H new ATOM 0 HB THR A 53 8.866 10.255 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.530 11.586 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.398 12.159 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.316 11.926 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.000 13.236 -3.725 1.00 0.00 H new ATOM 771 N SER A 54 7.167 9.675 -5.241 1.00 0.00 N ATOM 772 CA SER A 54 7.128 9.190 -6.616 1.00 0.00 C ATOM 773 C SER A 54 6.619 7.752 -6.670 1.00 0.00 C ATOM 774 O SER A 54 7.079 6.890 -5.920 1.00 0.00 O ATOM 775 CB SER A 54 8.519 9.274 -7.248 1.00 0.00 C ATOM 776 OG SER A 54 8.834 10.607 -7.610 1.00 0.00 O ATOM 0 H SER A 54 7.361 8.955 -4.545 1.00 0.00 H new ATOM 0 HA SER A 54 6.442 9.822 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.264 8.898 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.561 8.635 -8.130 1.00 0.00 H new ATOM 0 HG SER A 54 8.196 11.220 -7.189 1.00 0.00 H new ATOM 782 N CYS A 55 5.667 7.502 -7.562 1.00 0.00 N ATOM 783 CA CYS A 55 5.093 6.170 -7.715 1.00 0.00 C ATOM 784 C CYS A 55 6.184 5.133 -7.962 1.00 0.00 C ATOM 785 O CYS A 55 6.679 4.993 -9.080 1.00 0.00 O ATOM 786 CB CYS A 55 4.087 6.154 -8.866 1.00 0.00 C ATOM 787 SG CYS A 55 3.038 4.682 -8.910 1.00 0.00 S ATOM 0 H CYS A 55 5.276 8.204 -8.190 1.00 0.00 H new ATOM 0 HA CYS A 55 4.578 5.915 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.452 7.037 -8.792 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.629 6.229 -9.809 1.00 0.00 H new ATOM 0 HG CYS A 55 2.220 4.762 -9.917 1.00 0.00 H new ATOM 793 N GLY A 56 6.555 4.410 -6.910 1.00 0.00 N ATOM 794 CA GLY A 56 7.587 3.396 -7.034 1.00 0.00 C ATOM 795 C GLY A 56 7.666 2.498 -5.816 1.00 0.00 C ATOM 796 O GLY A 56 7.257 1.337 -5.864 1.00 0.00 O ATOM 0 H GLY A 56 6.160 4.508 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.391 2.788 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.551 3.880 -7.188 1.00 0.00 H new ATOM 800 N PHE A 57 8.195 3.033 -4.721 1.00 0.00 N ATOM 801 CA PHE A 57 8.329 2.271 -3.485 1.00 0.00 C ATOM 802 C PHE A 57 7.105 2.461 -2.594 1.00 0.00 C ATOM 803 O PHE A 57 6.883 3.541 -2.046 1.00 0.00 O ATOM 804 CB PHE A 57 9.592 2.695 -2.733 1.00 0.00 C ATOM 805 CG PHE A 57 10.832 2.663 -3.579 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.183 1.517 -4.275 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.649 3.778 -3.679 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.324 1.484 -5.055 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.790 3.751 -4.457 1.00 0.00 C ATOM 810 CZ PHE A 57 13.129 2.603 -5.145 1.00 0.00 C ATOM 0 H PHE A 57 8.538 3.992 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 57 8.407 1.215 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.453 3.704 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.731 2.039 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.558 0.639 -4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.390 4.679 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.586 0.585 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.417 4.628 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.022 2.580 -5.752 1.00 0.00 H new ATOM 820 N PHE A 58 6.313 1.403 -2.454 1.00 0.00 N ATOM 821 CA PHE A 58 5.110 1.452 -1.630 1.00 0.00 C ATOM 822 C PHE A 58 4.675 0.049 -1.219 1.00 0.00 C ATOM 823 O PHE A 58 4.691 -0.881 -2.026 1.00 0.00 O ATOM 824 CB PHE A 58 3.977 2.148 -2.387 1.00 0.00 C ATOM 825 CG PHE A 58 3.306 1.268 -3.403 1.00 0.00 C ATOM 826 CD1 PHE A 58 4.038 0.680 -4.421 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.942 1.030 -3.340 1.00 0.00 C ATOM 828 CE1 PHE A 58 3.424 -0.130 -5.358 1.00 0.00 C ATOM 829 CE2 PHE A 58 1.322 0.221 -4.273 1.00 0.00 C ATOM 830 CZ PHE A 58 2.064 -0.359 -5.284 1.00 0.00 C ATOM 0 H PHE A 58 6.482 0.501 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 58 5.339 2.021 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.232 2.496 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.374 3.031 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.102 0.856 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.357 1.482 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.007 -0.583 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.259 0.042 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.581 -0.990 -6.015 1.00 0.00 H new ATOM 840 N LYS A 59 4.287 -0.097 0.044 1.00 0.00 N ATOM 841 CA LYS A 59 3.847 -1.386 0.565 1.00 0.00 C ATOM 842 C LYS A 59 2.332 -1.527 0.459 1.00 0.00 C ATOM 843 O LYS A 59 1.590 -0.580 0.720 1.00 0.00 O ATOM 844 CB LYS A 59 4.284 -1.545 2.024 1.00 0.00 C ATOM 845 CG LYS A 59 3.756 -0.454 2.939 1.00 0.00 C ATOM 846 CD LYS A 59 3.663 -0.930 4.379 1.00 0.00 C ATOM 847 CE LYS A 59 5.009 -0.844 5.082 1.00 0.00 C ATOM 848 NZ LYS A 59 5.421 0.567 5.322 1.00 0.00 N ATOM 0 H LYS A 59 4.268 0.662 0.726 1.00 0.00 H new ATOM 0 HA LYS A 59 4.310 -2.170 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.944 -2.513 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.373 -1.551 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.410 0.416 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.772 -0.135 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.931 -0.327 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.305 -1.959 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.956 -1.374 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.766 -1.346 4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.151 0.594 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.804 0.971 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.596 1.122 5.628 1.00 0.00 H new ATOM 862 N CYS A 60 1.879 -2.716 0.075 1.00 0.00 N ATOM 863 CA CYS A 60 0.452 -2.982 -0.066 1.00 0.00 C ATOM 864 C CYS A 60 -0.259 -2.857 1.279 1.00 0.00 C ATOM 865 O CYS A 60 0.244 -3.286 2.318 1.00 0.00 O ATOM 866 CB CYS A 60 0.228 -4.379 -0.646 1.00 0.00 C ATOM 867 SG CYS A 60 -1.494 -4.964 -0.531 1.00 0.00 S ATOM 0 H CYS A 60 2.480 -3.511 -0.144 1.00 0.00 H new ATOM 0 HA CYS A 60 0.034 -2.242 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.531 -4.379 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.876 -5.085 -0.126 1.00 0.00 H new ATOM 872 N PRO A 61 -1.458 -2.256 1.260 1.00 0.00 N ATOM 873 CA PRO A 61 -2.265 -2.062 2.469 1.00 0.00 C ATOM 874 C PRO A 61 -2.822 -3.373 3.011 1.00 0.00 C ATOM 875 O PRO A 61 -2.679 -3.677 4.196 1.00 0.00 O ATOM 876 CB PRO A 61 -3.402 -1.154 1.993 1.00 0.00 C ATOM 877 CG PRO A 61 -3.513 -1.420 0.532 1.00 0.00 C ATOM 878 CD PRO A 61 -2.118 -1.721 0.058 1.00 0.00 C ATOM 0 HA PRO A 61 -1.680 -1.643 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.334 -1.383 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.179 -0.105 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.181 -2.260 0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.925 -0.557 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.118 -2.445 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.617 -0.826 -0.311 1.00 0.00 H new ATOM 886 N LEU A 62 -3.455 -4.148 2.137 1.00 0.00 N ATOM 887 CA LEU A 62 -4.033 -5.429 2.529 1.00 0.00 C ATOM 888 C LEU A 62 -2.980 -6.331 3.163 1.00 0.00 C ATOM 889 O LEU A 62 -3.256 -7.044 4.128 1.00 0.00 O ATOM 890 CB LEU A 62 -4.653 -6.124 1.315 1.00 0.00 C ATOM 891 CG LEU A 62 -6.030 -5.620 0.884 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.442 -6.255 -0.435 1.00 0.00 C ATOM 893 CD2 LEU A 62 -7.065 -5.908 1.962 1.00 0.00 C ATOM 0 H LEU A 62 -3.581 -3.912 1.153 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.812 -5.237 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.969 -6.018 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.730 -7.190 1.531 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.972 -4.541 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.425 -5.884 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.715 -5.998 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.482 -7.338 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.039 -5.542 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.120 -6.983 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.778 -5.406 2.886 1.00 0.00 H new ATOM 905 N CYS A 63 -1.769 -6.294 2.615 1.00 0.00 N ATOM 906 CA CYS A 63 -0.673 -7.106 3.128 1.00 0.00 C ATOM 907 C CYS A 63 0.641 -6.329 3.096 1.00 0.00 C ATOM 908 O CYS A 63 1.038 -5.801 2.057 1.00 0.00 O ATOM 909 CB CYS A 63 -0.537 -8.392 2.309 1.00 0.00 C ATOM 910 SG CYS A 63 0.039 -8.129 0.601 1.00 0.00 S ATOM 0 H CYS A 63 -1.523 -5.710 1.816 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.898 -7.364 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.158 -9.061 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.503 -8.896 2.282 1.00 0.00 H new ATOM 915 N LYS A 64 1.310 -6.264 4.242 1.00 0.00 N ATOM 916 CA LYS A 64 2.579 -5.553 4.347 1.00 0.00 C ATOM 917 C LYS A 64 3.690 -6.315 3.632 1.00 0.00 C ATOM 918 O LYS A 64 4.506 -6.985 4.266 1.00 0.00 O ATOM 919 CB LYS A 64 2.952 -5.347 5.817 1.00 0.00 C ATOM 920 CG LYS A 64 2.269 -4.150 6.456 1.00 0.00 C ATOM 921 CD LYS A 64 3.046 -3.641 7.658 1.00 0.00 C ATOM 922 CE LYS A 64 2.408 -2.392 8.246 1.00 0.00 C ATOM 923 NZ LYS A 64 2.852 -2.148 9.646 1.00 0.00 N ATOM 0 H LYS A 64 0.995 -6.695 5.111 1.00 0.00 H new ATOM 0 HA LYS A 64 2.463 -4.581 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.693 -6.245 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.032 -5.223 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.170 -3.351 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.261 -4.427 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.092 -4.420 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.072 -3.422 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.662 -1.530 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.323 -2.493 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.395 -1.288 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.587 -2.959 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.885 -2.026 9.666 1.00 0.00 H new ATOM 937 N THR A 65 3.718 -6.208 2.307 1.00 0.00 N ATOM 938 CA THR A 65 4.729 -6.887 1.506 1.00 0.00 C ATOM 939 C THR A 65 5.563 -5.888 0.713 1.00 0.00 C ATOM 940 O THR A 65 5.025 -5.061 -0.024 1.00 0.00 O ATOM 941 CB THR A 65 4.090 -7.894 0.531 1.00 0.00 C ATOM 942 OG1 THR A 65 3.424 -8.929 1.263 1.00 0.00 O ATOM 943 CG2 THR A 65 5.143 -8.507 -0.380 1.00 0.00 C ATOM 0 H THR A 65 3.052 -5.657 1.766 1.00 0.00 H new ATOM 0 HA THR A 65 5.374 -7.425 2.200 1.00 0.00 H new ATOM 0 HB THR A 65 3.365 -7.361 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.454 -8.826 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.669 -9.215 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.628 -7.720 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.888 -9.026 0.223 1.00 0.00 H new ATOM 951 N SER A 66 6.881 -5.970 0.867 1.00 0.00 N ATOM 952 CA SER A 66 7.790 -5.070 0.167 1.00 0.00 C ATOM 953 C SER A 66 7.817 -5.380 -1.327 1.00 0.00 C ATOM 954 O SER A 66 8.182 -6.482 -1.738 1.00 0.00 O ATOM 955 CB SER A 66 9.201 -5.183 0.748 1.00 0.00 C ATOM 956 OG SER A 66 10.081 -4.259 0.132 1.00 0.00 O ATOM 0 H SER A 66 7.343 -6.651 1.470 1.00 0.00 H new ATOM 0 HA SER A 66 7.429 -4.050 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.171 -5.001 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.576 -6.197 0.607 1.00 0.00 H new ATOM 0 HG SER A 66 10.976 -4.350 0.522 1.00 0.00 H new ATOM 962 N VAL A 67 7.429 -4.399 -2.136 1.00 0.00 N ATOM 963 CA VAL A 67 7.409 -4.565 -3.584 1.00 0.00 C ATOM 964 C VAL A 67 8.342 -3.569 -4.264 1.00 0.00 C ATOM 965 O VAL A 67 8.511 -2.443 -3.797 1.00 0.00 O ATOM 966 CB VAL A 67 5.987 -4.388 -4.150 1.00 0.00 C ATOM 967 CG1 VAL A 67 5.437 -3.016 -3.792 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.984 -4.596 -5.657 1.00 0.00 C ATOM 0 H VAL A 67 7.124 -3.481 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 67 7.751 -5.579 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 67 5.339 -5.141 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.432 -2.909 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.402 -2.910 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.083 -2.244 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.972 -4.467 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.645 -3.867 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.333 -5.603 -5.886 1.00 0.00 H new ATOM 978 N ARG A 68 8.946 -3.993 -5.370 1.00 0.00 N ATOM 979 CA ARG A 68 9.863 -3.138 -6.114 1.00 0.00 C ATOM 980 C ARG A 68 9.353 -2.898 -7.532 1.00 0.00 C ATOM 981 O ARG A 68 9.476 -3.760 -8.403 1.00 0.00 O ATOM 982 CB ARG A 68 11.256 -3.769 -6.162 1.00 0.00 C ATOM 983 CG ARG A 68 12.270 -2.947 -6.941 1.00 0.00 C ATOM 984 CD ARG A 68 13.692 -3.251 -6.496 1.00 0.00 C ATOM 985 NE ARG A 68 14.679 -2.501 -7.268 1.00 0.00 N ATOM 986 CZ ARG A 68 15.956 -2.391 -6.919 1.00 0.00 C ATOM 987 NH1 ARG A 68 16.399 -2.980 -5.817 1.00 0.00 N ATOM 988 NH2 ARG A 68 16.793 -1.691 -7.674 1.00 0.00 N ATOM 0 H ARG A 68 8.817 -4.922 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 68 9.923 -2.178 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.618 -3.907 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.182 -4.759 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.168 -3.156 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.063 -1.886 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.800 -3.011 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.884 -4.319 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 68 14.371 -2.036 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.759 -3.520 -5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.380 -2.894 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.456 -1.237 -8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.773 -1.607 -7.405 1.00 0.00 H new ATOM 1002 N LYS A 69 8.778 -1.722 -7.757 1.00 0.00 N ATOM 1003 CA LYS A 69 8.249 -1.366 -9.068 1.00 0.00 C ATOM 1004 C LYS A 69 8.677 0.043 -9.464 1.00 0.00 C ATOM 1005 O LYS A 69 8.708 0.949 -8.632 1.00 0.00 O ATOM 1006 CB LYS A 69 6.722 -1.466 -9.069 1.00 0.00 C ATOM 1007 CG LYS A 69 6.042 -0.393 -8.236 1.00 0.00 C ATOM 1008 CD LYS A 69 5.738 0.845 -9.062 1.00 0.00 C ATOM 1009 CE LYS A 69 4.387 0.737 -9.753 1.00 0.00 C ATOM 1010 NZ LYS A 69 4.315 1.593 -10.969 1.00 0.00 N ATOM 0 H LYS A 69 8.666 -0.998 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 69 8.654 -2.068 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.363 -1.399 -10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.430 -2.446 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.117 -0.788 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.682 -0.123 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.749 1.725 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.519 0.986 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.202 -0.301 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.599 1.027 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.379 1.491 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.466 2.587 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.050 1.300 -11.644 1.00 0.00 H new ATOM 1024 N ASN A 70 9.005 0.221 -10.740 1.00 0.00 N ATOM 1025 CA ASN A 70 9.431 1.521 -11.245 1.00 0.00 C ATOM 1026 C ASN A 70 8.923 1.744 -12.667 1.00 0.00 C ATOM 1027 O ASN A 70 8.727 0.794 -13.423 1.00 0.00 O ATOM 1028 CB ASN A 70 10.956 1.630 -11.213 1.00 0.00 C ATOM 1029 CG ASN A 70 11.435 3.068 -11.252 1.00 0.00 C ATOM 1030 OD1 ASN A 70 12.208 3.454 -12.129 1.00 0.00 O ATOM 1031 ND2 ASN A 70 10.975 3.870 -10.298 1.00 0.00 N ATOM 0 H ASN A 70 8.984 -0.518 -11.442 1.00 0.00 H new ATOM 0 HA ASN A 70 9.006 2.291 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.333 1.149 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.374 1.088 -12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.261 4.849 -10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.336 3.507 -9.591 1.00 0.00 H new ATOM 1038 N ALA A 71 8.714 3.007 -13.023 1.00 0.00 N ATOM 1039 CA ALA A 71 8.233 3.356 -14.354 1.00 0.00 C ATOM 1040 C ALA A 71 8.855 2.455 -15.416 1.00 0.00 C ATOM 1041 O ALA A 71 8.169 1.989 -16.326 1.00 0.00 O ATOM 1042 CB ALA A 71 8.532 4.817 -14.658 1.00 0.00 C ATOM 0 H ALA A 71 8.870 3.806 -12.408 1.00 0.00 H new ATOM 0 HA ALA A 71 7.154 3.206 -14.374 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.167 5.063 -15.655 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.035 5.451 -13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.608 4.985 -14.614 1.00 0.00 H new ATOM 1048 N ILE A 72 10.156 2.216 -15.294 1.00 0.00 N ATOM 1049 CA ILE A 72 10.869 1.371 -16.244 1.00 0.00 C ATOM 1050 C ILE A 72 10.514 -0.099 -16.046 1.00 0.00 C ATOM 1051 O ILE A 72 10.434 -0.583 -14.917 1.00 0.00 O ATOM 1052 CB ILE A 72 12.394 1.540 -16.114 1.00 0.00 C ATOM 1053 CG1 ILE A 72 13.118 0.605 -17.085 1.00 0.00 C ATOM 1054 CG2 ILE A 72 12.837 1.273 -14.683 1.00 0.00 C ATOM 1055 CD1 ILE A 72 13.384 1.227 -18.438 1.00 0.00 C ATOM 0 H ILE A 72 10.738 2.595 -14.547 1.00 0.00 H new ATOM 0 HA ILE A 72 10.560 1.687 -17.240 1.00 0.00 H new ATOM 0 HB ILE A 72 12.653 2.568 -16.368 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.066 0.298 -16.643 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.522 -0.298 -17.220 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.917 1.396 -14.608 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.344 1.976 -14.012 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.568 0.255 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.900 0.508 -19.074 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.438 1.509 -18.901 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.006 2.114 -18.315 1.00 0.00 H new ATOM 1067 N ARG A 73 10.302 -0.805 -17.152 1.00 0.00 N ATOM 1068 CA ARG A 73 9.956 -2.220 -17.101 1.00 0.00 C ATOM 1069 C ARG A 73 11.211 -3.084 -17.024 1.00 0.00 C ATOM 1070 O ARG A 73 11.390 -3.853 -16.079 1.00 0.00 O ATOM 1071 CB ARG A 73 9.131 -2.610 -18.329 1.00 0.00 C ATOM 1072 CG ARG A 73 9.929 -2.618 -19.622 1.00 0.00 C ATOM 1073 CD ARG A 73 10.556 -3.979 -19.882 1.00 0.00 C ATOM 1074 NE ARG A 73 9.652 -4.868 -20.606 1.00 0.00 N ATOM 1075 CZ ARG A 73 9.440 -4.794 -21.915 1.00 0.00 C ATOM 1076 NH1 ARG A 73 10.065 -3.877 -22.640 1.00 0.00 N ATOM 1077 NH2 ARG A 73 8.603 -5.640 -22.502 1.00 0.00 N ATOM 0 H ARG A 73 10.364 -0.420 -18.094 1.00 0.00 H new ATOM 0 HA ARG A 73 9.362 -2.391 -16.203 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.704 -3.600 -18.170 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.297 -1.916 -18.431 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.278 -2.351 -20.454 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.710 -1.860 -19.573 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.475 -3.852 -20.454 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.833 -4.438 -18.933 1.00 0.00 H new ATOM 0 HE ARG A 73 9.156 -5.585 -20.077 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.711 -3.226 -22.193 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.900 -3.822 -23.645 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.122 -6.348 -21.948 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.441 -5.582 -23.507 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.362 2.639 -4.124 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.382 -7.279 -0.922 1.00 0.00 ZN