USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 Set 1.1: A 6 HIS : no HD1:sc= 0.778 K(o=1.6,f=-1.7!) USER MOD Set 1.2: A 40 THR OG1 : rot 62:sc= 0.85 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.294 USER MOD Set 2.2: A 61 TYR OH : rot -105:sc= 0.309 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 170:sc= -0.0101 (180deg=-0.155) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.375 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 158:sc= 0.651 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -4:sc= 0.176 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -11:sc= -0.0376 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 THR OG1 : rot 69:sc= 0.168 USER MOD Single : A 62 THR OG1 : rot -44:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.614 -9.852 -1.966 1.00 0.00 N ATOM 19 CA LEU A 3 3.030 -9.281 -0.757 1.00 0.00 C ATOM 20 C LEU A 3 1.602 -8.812 -1.010 1.00 0.00 C ATOM 21 O LEU A 3 1.306 -8.224 -2.051 1.00 0.00 O ATOM 22 CB LEU A 3 3.894 -8.121 -0.247 1.00 0.00 C ATOM 23 CG LEU A 3 5.312 -8.505 0.194 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.085 -7.261 0.609 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.234 -9.501 1.342 1.00 0.00 C ATOM 0 HA LEU A 3 2.999 -10.058 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.967 -7.370 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.384 -7.652 0.594 1.00 0.00 H new ATOM 0 HG LEU A 3 5.839 -8.970 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.090 -7.544 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.147 -6.573 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.572 -6.774 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.241 -9.774 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.703 -9.050 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.702 -10.394 1.014 1.00 0.00 H new ATOM 37 N SER A 4 0.718 -9.074 -0.052 1.00 0.00 N ATOM 38 CA SER A 4 -0.679 -8.679 -0.172 1.00 0.00 C ATOM 39 C SER A 4 -1.167 -8.014 1.112 1.00 0.00 C ATOM 40 O SER A 4 -0.943 -8.520 2.211 1.00 0.00 O ATOM 41 CB SER A 4 -1.538 -9.883 -0.506 1.00 0.00 C ATOM 42 OG SER A 4 -2.894 -9.551 -0.612 1.00 0.00 O ATOM 0 H SER A 4 0.946 -9.559 0.816 1.00 0.00 H new ATOM 0 HA SER A 4 -0.763 -7.954 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.198 -10.321 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.411 -10.643 0.265 1.00 0.00 H new ATOM 0 HG SER A 4 -3.411 -10.354 -0.830 1.00 0.00 H new ATOM 48 N PHE A 5 -1.839 -6.876 0.963 1.00 0.00 N ATOM 49 CA PHE A 5 -2.366 -6.144 2.109 1.00 0.00 C ATOM 50 C PHE A 5 -3.855 -5.861 1.934 1.00 0.00 C ATOM 51 O PHE A 5 -4.292 -5.397 0.881 1.00 0.00 O ATOM 52 CB PHE A 5 -1.598 -4.836 2.309 1.00 0.00 C ATOM 53 CG PHE A 5 -0.127 -5.027 2.545 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.759 -5.083 1.480 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.373 -5.151 3.832 1.00 0.00 C ATOM 56 CE1 PHE A 5 2.113 -5.258 1.696 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.726 -5.326 4.051 1.00 0.00 C ATOM 58 CZ PHE A 5 2.597 -5.379 2.981 1.00 0.00 C ATOM 0 H PHE A 5 -2.031 -6.442 0.060 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.236 -6.764 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.737 -4.206 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.026 -4.300 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.387 -4.989 0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.303 -5.110 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.792 -5.300 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.102 -5.421 5.059 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.655 -5.515 3.150 1.00 0.00 H new ATOM 68 N HIS A 6 -4.632 -6.147 2.975 1.00 0.00 N ATOM 69 CA HIS A 6 -6.052 -5.815 2.984 1.00 0.00 C ATOM 70 C HIS A 6 -6.338 -4.672 3.952 1.00 0.00 C ATOM 71 O HIS A 6 -6.035 -4.762 5.141 1.00 0.00 O ATOM 72 CB HIS A 6 -6.894 -7.040 3.353 1.00 0.00 C ATOM 73 CG HIS A 6 -8.364 -6.764 3.414 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.140 -6.610 2.284 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.200 -6.612 4.469 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.391 -6.377 2.642 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.453 -6.373 3.962 1.00 0.00 N ATOM 0 H HIS A 6 -4.302 -6.608 3.823 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.325 -5.494 1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.711 -7.829 2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.564 -7.419 4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.931 -6.668 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.221 -6.217 1.970 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.296 -6.217 4.515 1.00 0.00 H new ATOM 84 N VAL A 7 -6.924 -3.596 3.434 1.00 0.00 N ATOM 85 CA VAL A 7 -7.172 -2.402 4.233 1.00 0.00 C ATOM 86 C VAL A 7 -8.667 -2.158 4.407 1.00 0.00 C ATOM 87 O VAL A 7 -9.375 -1.881 3.440 1.00 0.00 O ATOM 88 CB VAL A 7 -6.527 -1.154 3.601 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.807 0.077 4.450 1.00 0.00 C ATOM 90 CG2 VAL A 7 -5.028 -1.356 3.435 1.00 0.00 C ATOM 0 H VAL A 7 -7.235 -3.527 2.465 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.719 -2.577 5.209 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.966 -1.001 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.344 0.950 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.883 0.232 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.394 -0.068 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.588 -0.465 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.575 -1.534 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.846 -2.215 2.789 1.00 0.00 H new ATOM 100 N GLU A 8 -9.137 -2.262 5.645 1.00 0.00 N ATOM 101 CA GLU A 8 -10.560 -2.123 5.934 1.00 0.00 C ATOM 102 C GLU A 8 -11.040 -0.705 5.638 1.00 0.00 C ATOM 103 O GLU A 8 -12.127 -0.507 5.097 1.00 0.00 O ATOM 104 CB GLU A 8 -10.848 -2.485 7.393 1.00 0.00 C ATOM 105 CG GLU A 8 -10.904 -3.981 7.671 1.00 0.00 C ATOM 106 CD GLU A 8 -12.046 -4.629 6.939 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.135 -4.110 6.996 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.808 -5.579 6.230 1.00 0.00 O ATOM 0 H GLU A 8 -8.555 -2.442 6.463 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.105 -2.811 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.079 -2.039 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.798 -2.038 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.965 -4.445 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.013 -4.150 8.742 1.00 0.00 H new ATOM 115 N ASP A 9 -10.220 0.277 5.996 1.00 0.00 N ATOM 116 CA ASP A 9 -10.613 1.678 5.889 1.00 0.00 C ATOM 117 C ASP A 9 -10.613 2.134 4.434 1.00 0.00 C ATOM 118 O ASP A 9 -11.086 3.223 4.116 1.00 0.00 O ATOM 119 CB ASP A 9 -9.680 2.563 6.721 1.00 0.00 C ATOM 120 CG ASP A 9 -9.866 2.432 8.227 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.844 1.854 8.637 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.958 2.770 8.948 1.00 0.00 O ATOM 0 H ASP A 9 -9.280 0.129 6.363 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.626 1.774 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.648 2.317 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.837 3.604 6.437 1.00 0.00 H new ATOM 127 N MET A 10 -10.075 1.293 3.557 1.00 0.00 N ATOM 128 CA MET A 10 -9.890 1.663 2.158 1.00 0.00 C ATOM 129 C MET A 10 -11.235 1.894 1.475 1.00 0.00 C ATOM 130 O MET A 10 -12.010 0.959 1.273 1.00 0.00 O ATOM 131 CB MET A 10 -9.102 0.581 1.424 1.00 0.00 C ATOM 132 CG MET A 10 -8.839 0.881 -0.045 1.00 0.00 C ATOM 133 SD MET A 10 -7.905 2.406 -0.288 1.00 0.00 S ATOM 134 CE MET A 10 -6.294 1.917 0.323 1.00 0.00 C ATOM 0 H MET A 10 -9.760 0.351 3.790 1.00 0.00 H new ATOM 0 HA MET A 10 -9.325 2.594 2.123 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.147 0.438 1.930 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.646 -0.361 1.498 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.291 0.050 -0.489 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.790 0.954 -0.573 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.563 2.687 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.338 1.789 1.405 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.999 0.976 -0.141 1.00 0.00 H new ATOM 144 N THR A 11 -11.507 3.146 1.119 1.00 0.00 N ATOM 145 CA THR A 11 -12.753 3.498 0.452 1.00 0.00 C ATOM 146 C THR A 11 -12.500 4.436 -0.724 1.00 0.00 C ATOM 147 O THR A 11 -13.422 4.775 -1.469 1.00 0.00 O ATOM 148 CB THR A 11 -13.746 4.164 1.422 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.155 5.345 1.981 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.116 3.207 2.546 1.00 0.00 C ATOM 0 H THR A 11 -10.880 3.933 1.282 1.00 0.00 H new ATOM 0 HA THR A 11 -13.188 2.568 0.086 1.00 0.00 H new ATOM 0 HB THR A 11 -14.648 4.428 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.789 5.768 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.819 3.694 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.577 2.313 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.218 2.927 3.096 1.00 0.00 H new ATOM 158 N CYS A 12 -11.250 4.853 -0.883 1.00 0.00 N ATOM 159 CA CYS A 12 -10.901 5.864 -1.876 1.00 0.00 C ATOM 160 C CYS A 12 -9.585 5.517 -2.566 1.00 0.00 C ATOM 161 O CYS A 12 -8.645 5.047 -1.929 1.00 0.00 O ATOM 162 CB CYS A 12 -10.752 7.131 -1.032 1.00 0.00 C ATOM 163 SG CYS A 12 -10.431 8.633 -1.986 1.00 0.00 S ATOM 0 H CYS A 12 -10.460 4.507 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.638 5.958 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.662 7.273 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.938 6.986 -0.322 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.324 9.646 -1.178 1.00 0.00 H new ATOM 169 N GLY A 13 -9.529 5.751 -3.873 1.00 0.00 N ATOM 170 CA GLY A 13 -8.335 5.433 -4.634 1.00 0.00 C ATOM 171 C GLY A 13 -7.223 6.440 -4.415 1.00 0.00 C ATOM 172 O GLY A 13 -6.086 6.222 -4.833 1.00 0.00 O ATOM 0 H GLY A 13 -10.290 6.155 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.983 4.440 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.583 5.395 -5.695 1.00 0.00 H new ATOM 176 N HIS A 14 -7.552 7.550 -3.759 1.00 0.00 N ATOM 177 CA HIS A 14 -6.558 8.561 -3.422 1.00 0.00 C ATOM 178 C HIS A 14 -5.505 7.993 -2.474 1.00 0.00 C ATOM 179 O HIS A 14 -4.307 8.056 -2.753 1.00 0.00 O ATOM 180 CB HIS A 14 -7.224 9.790 -2.794 1.00 0.00 C ATOM 181 CG HIS A 14 -6.252 10.831 -2.332 1.00 0.00 C ATOM 182 ND1 HIS A 14 -5.594 11.672 -3.203 1.00 0.00 N ATOM 183 CD2 HIS A 14 -5.829 11.166 -1.090 1.00 0.00 C ATOM 184 CE1 HIS A 14 -4.805 12.481 -2.516 1.00 0.00 C ATOM 185 NE2 HIS A 14 -4.930 12.194 -1.234 1.00 0.00 N ATOM 0 H HIS A 14 -8.499 7.771 -3.451 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.065 8.866 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.902 10.236 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.831 9.470 -1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.140 10.711 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.167 13.246 -2.933 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.438 12.661 -0.472 1.00 0.00 H new ATOM 192 N CYS A 15 -5.960 7.441 -1.357 1.00 0.00 N ATOM 193 CA CYS A 15 -5.056 6.868 -0.365 1.00 0.00 C ATOM 194 C CYS A 15 -4.332 5.649 -0.929 1.00 0.00 C ATOM 195 O CYS A 15 -3.203 5.350 -0.540 1.00 0.00 O ATOM 196 CB CYS A 15 -6.004 6.459 0.763 1.00 0.00 C ATOM 197 SG CYS A 15 -6.729 7.844 1.673 1.00 0.00 S ATOM 0 H CYS A 15 -6.949 7.377 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.274 7.557 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.809 5.856 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.462 5.824 1.464 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.825 7.455 2.254 1.00 0.00 H new ATOM 203 N ALA A 16 -4.990 4.949 -1.846 1.00 0.00 N ATOM 204 CA ALA A 16 -4.355 3.860 -2.578 1.00 0.00 C ATOM 205 C ALA A 16 -3.177 4.367 -3.405 1.00 0.00 C ATOM 206 O ALA A 16 -2.130 3.723 -3.472 1.00 0.00 O ATOM 207 CB ALA A 16 -5.369 3.162 -3.472 1.00 0.00 C ATOM 0 H ALA A 16 -5.964 5.116 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.973 3.142 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.880 2.351 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.175 2.757 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.779 3.878 -4.185 1.00 0.00 H new ATOM 213 N GLY A 17 -3.356 5.524 -4.034 1.00 0.00 N ATOM 214 CA GLY A 17 -2.252 6.178 -4.711 1.00 0.00 C ATOM 215 C GLY A 17 -1.165 6.623 -3.755 1.00 0.00 C ATOM 216 O GLY A 17 0.022 6.551 -4.075 1.00 0.00 O ATOM 0 H GLY A 17 -4.246 6.020 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.827 5.496 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.627 7.043 -5.257 1.00 0.00 H new ATOM 220 N VAL A 18 -1.568 7.084 -2.575 1.00 0.00 N ATOM 221 CA VAL A 18 -0.618 7.467 -1.538 1.00 0.00 C ATOM 222 C VAL A 18 0.225 6.275 -1.098 1.00 0.00 C ATOM 223 O VAL A 18 1.425 6.406 -0.858 1.00 0.00 O ATOM 224 CB VAL A 18 -1.332 8.061 -0.309 1.00 0.00 C ATOM 225 CG1 VAL A 18 -0.349 8.254 0.836 1.00 0.00 C ATOM 226 CG2 VAL A 18 -1.997 9.381 -0.666 1.00 0.00 C ATOM 0 H VAL A 18 -2.547 7.201 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 18 0.031 8.228 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.104 7.362 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.870 8.674 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.085 7.292 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.444 8.934 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.497 9.786 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.242 10.087 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.730 9.217 -1.456 1.00 0.00 H new ATOM 236 N ILE A 19 -0.413 5.113 -0.996 1.00 0.00 N ATOM 237 CA ILE A 19 0.293 3.882 -0.664 1.00 0.00 C ATOM 238 C ILE A 19 1.362 3.564 -1.702 1.00 0.00 C ATOM 239 O ILE A 19 2.498 3.236 -1.362 1.00 0.00 O ATOM 240 CB ILE A 19 -0.673 2.689 -0.552 1.00 0.00 C ATOM 241 CG1 ILE A 19 -1.569 2.842 0.680 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.100 1.381 -0.492 1.00 0.00 C ATOM 243 CD1 ILE A 19 -2.732 1.876 0.713 1.00 0.00 C ATOM 0 H ILE A 19 -1.417 4.999 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 19 0.768 4.043 0.304 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.306 2.672 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.965 2.700 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.954 3.861 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.599 0.548 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.697 1.269 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.757 1.386 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.320 2.046 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.360 2.032 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.355 0.853 0.712 1.00 0.00 H new ATOM 255 N LYS A 20 0.991 3.664 -2.976 1.00 0.00 N ATOM 256 CA LYS A 20 1.930 3.438 -4.067 1.00 0.00 C ATOM 257 C LYS A 20 3.109 4.403 -3.982 1.00 0.00 C ATOM 258 O LYS A 20 4.262 4.003 -4.127 1.00 0.00 O ATOM 259 CB LYS A 20 1.227 3.581 -5.418 1.00 0.00 C ATOM 260 CG LYS A 20 2.140 3.401 -6.624 1.00 0.00 C ATOM 261 CD LYS A 20 1.345 3.373 -7.921 1.00 0.00 C ATOM 262 CE LYS A 20 2.255 3.187 -9.126 1.00 0.00 C ATOM 263 NZ LYS A 20 1.490 3.159 -10.402 1.00 0.00 N ATOM 0 H LYS A 20 0.045 3.900 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 20 2.312 2.421 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.422 2.848 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.765 4.567 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.866 4.213 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.704 2.474 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.616 2.563 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.785 4.302 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.984 3.996 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.814 2.258 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.147 3.031 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.811 2.371 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.976 4.056 -10.518 1.00 0.00 H new ATOM 277 N GLY A 21 2.809 5.675 -3.742 1.00 0.00 N ATOM 278 CA GLY A 21 3.856 6.673 -3.616 1.00 0.00 C ATOM 279 C GLY A 21 4.737 6.437 -2.405 1.00 0.00 C ATOM 280 O GLY A 21 5.955 6.603 -2.475 1.00 0.00 O ATOM 0 H GLY A 21 1.860 6.033 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.471 6.666 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.404 7.663 -3.546 1.00 0.00 H new ATOM 284 N ALA A 22 4.122 6.053 -1.292 1.00 0.00 N ATOM 285 CA ALA A 22 4.856 5.810 -0.058 1.00 0.00 C ATOM 286 C ALA A 22 5.813 4.633 -0.210 1.00 0.00 C ATOM 287 O ALA A 22 6.955 4.685 0.250 1.00 0.00 O ATOM 288 CB ALA A 22 3.890 5.564 1.092 1.00 0.00 C ATOM 0 H ALA A 22 3.116 5.903 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 22 5.448 6.698 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.453 5.384 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.252 6.438 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.272 4.694 0.869 1.00 0.00 H new ATOM 294 N ILE A 23 5.341 3.572 -0.856 1.00 0.00 N ATOM 295 CA ILE A 23 6.156 2.384 -1.070 1.00 0.00 C ATOM 296 C ILE A 23 7.344 2.688 -1.977 1.00 0.00 C ATOM 297 O ILE A 23 8.478 2.319 -1.675 1.00 0.00 O ATOM 298 CB ILE A 23 5.332 1.238 -1.684 1.00 0.00 C ATOM 299 CG1 ILE A 23 4.301 0.721 -0.676 1.00 0.00 C ATOM 300 CG2 ILE A 23 6.245 0.111 -2.140 1.00 0.00 C ATOM 301 CD1 ILE A 23 3.268 -0.204 -1.278 1.00 0.00 C ATOM 0 H ILE A 23 4.398 3.512 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 23 6.521 2.071 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 23 4.800 1.622 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.822 0.196 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.793 1.572 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.646 -0.691 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.941 0.487 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.804 -0.273 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.574 -0.528 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.720 0.322 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.765 -1.074 -1.707 1.00 0.00 H new ATOM 313 N GLU A 24 7.074 3.366 -3.089 1.00 0.00 N ATOM 314 CA GLU A 24 8.127 3.753 -4.020 1.00 0.00 C ATOM 315 C GLU A 24 9.113 4.714 -3.358 1.00 0.00 C ATOM 316 O GLU A 24 10.309 4.692 -3.649 1.00 0.00 O ATOM 317 CB GLU A 24 7.527 4.393 -5.274 1.00 0.00 C ATOM 318 CG GLU A 24 8.549 4.790 -6.329 1.00 0.00 C ATOM 319 CD GLU A 24 9.275 3.588 -6.867 1.00 0.00 C ATOM 320 OE1 GLU A 24 8.869 2.491 -6.567 1.00 0.00 O ATOM 321 OE2 GLU A 24 10.164 3.764 -7.665 1.00 0.00 O ATOM 0 H GLU A 24 6.137 3.658 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 24 8.667 2.852 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.817 3.696 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.963 5.279 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.048 5.311 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.267 5.488 -5.898 1.00 0.00 H new ATOM 328 N LYS A 25 8.601 5.556 -2.468 1.00 0.00 N ATOM 329 CA LYS A 25 9.432 6.523 -1.763 1.00 0.00 C ATOM 330 C LYS A 25 10.441 5.819 -0.860 1.00 0.00 C ATOM 331 O LYS A 25 11.605 6.214 -0.785 1.00 0.00 O ATOM 332 CB LYS A 25 8.566 7.479 -0.942 1.00 0.00 C ATOM 333 CG LYS A 25 9.346 8.554 -0.197 1.00 0.00 C ATOM 334 CD LYS A 25 8.414 9.524 0.513 1.00 0.00 C ATOM 335 CE LYS A 25 9.193 10.580 1.283 1.00 0.00 C ATOM 336 NZ LYS A 25 8.293 11.523 2.000 1.00 0.00 N ATOM 0 H LYS A 25 7.613 5.588 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 25 9.981 7.100 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.850 7.962 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.991 6.899 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.009 8.086 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.977 9.100 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.766 10.008 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.768 8.975 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.853 10.092 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.827 11.137 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.863 12.226 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.680 12.008 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.705 10.995 2.677 1.00 0.00 H new ATOM 350 N THR A 26 9.986 4.774 -0.177 1.00 0.00 N ATOM 351 CA THR A 26 10.811 4.090 0.812 1.00 0.00 C ATOM 352 C THR A 26 11.677 3.018 0.158 1.00 0.00 C ATOM 353 O THR A 26 12.681 2.587 0.723 1.00 0.00 O ATOM 354 CB THR A 26 9.951 3.441 1.913 1.00 0.00 C ATOM 355 OG1 THR A 26 9.044 2.502 1.324 1.00 0.00 O ATOM 356 CG2 THR A 26 9.160 4.501 2.666 1.00 0.00 C ATOM 0 H THR A 26 9.051 4.382 -0.290 1.00 0.00 H new ATOM 0 HA THR A 26 11.453 4.846 1.265 1.00 0.00 H new ATOM 0 HB THR A 26 10.611 2.928 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.130 2.532 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.558 4.025 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.848 5.210 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.506 5.029 1.972 1.00 0.00 H new ATOM 364 N VAL A 27 11.279 2.590 -1.037 1.00 0.00 N ATOM 365 CA VAL A 27 12.099 1.690 -1.837 1.00 0.00 C ATOM 366 C VAL A 27 11.848 1.897 -3.327 1.00 0.00 C ATOM 367 O VAL A 27 10.728 1.758 -3.819 1.00 0.00 O ATOM 368 CB VAL A 27 11.833 0.215 -1.480 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.361 -0.122 -1.674 1.00 0.00 C ATOM 370 CG2 VAL A 27 12.703 -0.703 -2.324 1.00 0.00 C ATOM 0 H VAL A 27 10.394 2.853 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 27 13.139 1.925 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 27 12.088 0.063 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.190 -1.168 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.754 0.514 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.083 0.046 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.502 -1.741 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.478 -0.549 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.754 -0.479 -2.140 1.00 0.00 H new ATOM 380 N PRO A 28 12.916 2.235 -4.065 1.00 0.00 N ATOM 381 CA PRO A 28 12.820 2.569 -5.488 1.00 0.00 C ATOM 382 C PRO A 28 12.637 1.333 -6.363 1.00 0.00 C ATOM 383 O PRO A 28 13.187 0.270 -6.075 1.00 0.00 O ATOM 384 CB PRO A 28 14.141 3.287 -5.788 1.00 0.00 C ATOM 385 CG PRO A 28 15.100 2.731 -4.792 1.00 0.00 C ATOM 386 CD PRO A 28 14.290 2.501 -3.544 1.00 0.00 C ATOM 0 HA PRO A 28 11.948 3.185 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.473 3.097 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.039 4.367 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.543 1.802 -5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.920 3.425 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 28 14.671 1.658 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.309 3.371 -2.887 1.00 0.00 H new ATOM 394 N GLY A 29 11.861 1.479 -7.432 1.00 0.00 N ATOM 395 CA GLY A 29 11.665 0.384 -8.362 1.00 0.00 C ATOM 396 C GLY A 29 10.658 -0.633 -7.858 1.00 0.00 C ATOM 397 O GLY A 29 10.743 -1.815 -8.186 1.00 0.00 O ATOM 0 H GLY A 29 11.364 2.337 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.328 0.781 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.619 -0.112 -8.541 1.00 0.00 H new ATOM 401 N ALA A 30 9.704 -0.170 -7.057 1.00 0.00 N ATOM 402 CA ALA A 30 8.705 -1.054 -6.469 1.00 0.00 C ATOM 403 C ALA A 30 7.436 -1.087 -7.315 1.00 0.00 C ATOM 404 O ALA A 30 6.946 -0.048 -7.755 1.00 0.00 O ATOM 405 CB ALA A 30 8.384 -0.618 -5.048 1.00 0.00 C ATOM 0 H ALA A 30 9.602 0.812 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 30 9.119 -2.062 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.637 -1.287 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.290 -0.654 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.995 0.400 -5.059 1.00 0.00 H new ATOM 411 N ALA A 31 6.910 -2.287 -7.540 1.00 0.00 N ATOM 412 CA ALA A 31 5.652 -2.446 -8.256 1.00 0.00 C ATOM 413 C ALA A 31 4.477 -2.540 -7.288 1.00 0.00 C ATOM 414 O ALA A 31 4.406 -3.455 -6.468 1.00 0.00 O ATOM 415 CB ALA A 31 5.704 -3.680 -9.145 1.00 0.00 C ATOM 0 H ALA A 31 7.336 -3.162 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 31 5.505 -1.565 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.757 -3.787 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.514 -3.574 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.878 -4.564 -8.531 1.00 0.00 H new ATOM 421 N VAL A 32 3.557 -1.586 -7.387 1.00 0.00 N ATOM 422 CA VAL A 32 2.385 -1.560 -6.520 1.00 0.00 C ATOM 423 C VAL A 32 1.097 -1.553 -7.337 1.00 0.00 C ATOM 424 O VAL A 32 0.856 -0.642 -8.129 1.00 0.00 O ATOM 425 CB VAL A 32 2.399 -0.332 -5.589 1.00 0.00 C ATOM 426 CG1 VAL A 32 1.172 -0.332 -4.690 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.669 -0.313 -4.753 1.00 0.00 C ATOM 0 H VAL A 32 3.601 -0.820 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 32 2.421 -2.464 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 32 2.377 0.567 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.198 0.542 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.272 -0.301 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.166 -1.237 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.663 0.561 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.719 -1.218 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.537 -0.269 -5.411 1.00 0.00 H new ATOM 437 N HIS A 33 0.272 -2.576 -7.137 1.00 0.00 N ATOM 438 CA HIS A 33 -1.039 -2.635 -7.775 1.00 0.00 C ATOM 439 C HIS A 33 -2.152 -2.609 -6.733 1.00 0.00 C ATOM 440 O HIS A 33 -2.383 -3.593 -6.030 1.00 0.00 O ATOM 441 CB HIS A 33 -1.162 -3.890 -8.646 1.00 0.00 C ATOM 442 CG HIS A 33 -0.114 -3.989 -9.711 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.204 -3.310 -10.907 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.044 -4.688 -9.759 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.857 -3.587 -11.647 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.628 -4.420 -10.972 1.00 0.00 N ATOM 0 H HIS A 33 0.487 -3.374 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.141 -1.757 -8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.103 -4.772 -8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.146 -3.901 -9.115 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.435 -5.335 -8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.058 -3.198 -12.634 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.515 -4.803 -11.299 1.00 0.00 H new ATOM 453 N ALA A 34 -2.840 -1.475 -6.637 1.00 0.00 N ATOM 454 CA ALA A 34 -3.820 -1.263 -5.579 1.00 0.00 C ATOM 455 C ALA A 34 -5.229 -1.150 -6.150 1.00 0.00 C ATOM 456 O ALA A 34 -5.436 -0.543 -7.201 1.00 0.00 O ATOM 457 CB ALA A 34 -3.471 -0.016 -4.779 1.00 0.00 C ATOM 0 H ALA A 34 -2.736 -0.689 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.794 -2.127 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.211 0.130 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.484 -0.135 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.467 0.851 -5.440 1.00 0.00 H new ATOM 463 N ASP A 35 -6.194 -1.738 -5.453 1.00 0.00 N ATOM 464 CA ASP A 35 -7.596 -1.622 -5.839 1.00 0.00 C ATOM 465 C ASP A 35 -8.476 -1.371 -4.619 1.00 0.00 C ATOM 466 O ASP A 35 -8.657 -2.239 -3.764 1.00 0.00 O ATOM 467 CB ASP A 35 -8.057 -2.884 -6.573 1.00 0.00 C ATOM 468 CG ASP A 35 -9.487 -2.821 -7.093 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.141 -1.832 -6.857 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.860 -3.684 -7.851 1.00 0.00 O ATOM 0 H ASP A 35 -6.032 -2.300 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.692 -0.771 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.386 -3.068 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.965 -3.736 -5.899 1.00 0.00 H new ATOM 475 N PRO A 36 -9.036 -0.156 -4.534 1.00 0.00 N ATOM 476 CA PRO A 36 -9.875 0.251 -3.402 1.00 0.00 C ATOM 477 C PRO A 36 -11.266 -0.373 -3.457 1.00 0.00 C ATOM 478 O PRO A 36 -11.984 -0.402 -2.459 1.00 0.00 O ATOM 479 CB PRO A 36 -9.965 1.772 -3.556 1.00 0.00 C ATOM 480 CG PRO A 36 -9.778 2.017 -5.014 1.00 0.00 C ATOM 481 CD PRO A 36 -8.808 0.970 -5.488 1.00 0.00 C ATOM 0 HA PRO A 36 -9.457 -0.071 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.928 2.148 -3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.197 2.276 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.726 1.941 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.390 3.019 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.006 0.673 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.779 1.327 -5.452 1.00 0.00 H new ATOM 489 N ALA A 37 -11.638 -0.872 -4.632 1.00 0.00 N ATOM 490 CA ALA A 37 -12.883 -1.615 -4.785 1.00 0.00 C ATOM 491 C ALA A 37 -12.807 -2.964 -4.080 1.00 0.00 C ATOM 492 O ALA A 37 -13.787 -3.427 -3.495 1.00 0.00 O ATOM 493 CB ALA A 37 -13.205 -1.806 -6.259 1.00 0.00 C ATOM 0 H ALA A 37 -11.096 -0.775 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.682 -1.036 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.137 -2.362 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.311 -0.832 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.398 -2.360 -6.739 1.00 0.00 H new ATOM 499 N SER A 38 -11.638 -3.593 -4.137 1.00 0.00 N ATOM 500 CA SER A 38 -11.405 -4.843 -3.422 1.00 0.00 C ATOM 501 C SER A 38 -10.716 -4.583 -2.085 1.00 0.00 C ATOM 502 O SER A 38 -10.498 -5.503 -1.298 1.00 0.00 O ATOM 503 CB SER A 38 -10.576 -5.785 -4.272 1.00 0.00 C ATOM 504 OG SER A 38 -9.290 -5.284 -4.513 1.00 0.00 O ATOM 0 H SER A 38 -10.836 -3.258 -4.671 1.00 0.00 H new ATOM 0 HA SER A 38 -12.369 -5.310 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.501 -6.751 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.082 -5.956 -5.222 1.00 0.00 H new ATOM 0 HG SER A 38 -9.248 -4.345 -4.236 1.00 0.00 H new ATOM 510 N ARG A 39 -10.375 -3.323 -1.837 1.00 0.00 N ATOM 511 CA ARG A 39 -9.722 -2.939 -0.592 1.00 0.00 C ATOM 512 C ARG A 39 -8.405 -3.691 -0.415 1.00 0.00 C ATOM 513 O ARG A 39 -7.994 -3.987 0.707 1.00 0.00 O ATOM 514 CB ARG A 39 -10.634 -3.114 0.613 1.00 0.00 C ATOM 515 CG ARG A 39 -11.850 -2.202 0.632 1.00 0.00 C ATOM 516 CD ARG A 39 -12.585 -2.188 1.923 1.00 0.00 C ATOM 517 NE ARG A 39 -13.167 -3.467 2.299 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.599 -3.776 3.536 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.483 -2.922 4.528 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.122 -4.974 3.734 1.00 0.00 N ATOM 0 H ARG A 39 -10.540 -2.550 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.496 -1.875 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.974 -4.149 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.053 -2.940 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.531 -1.186 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.534 -2.511 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.904 -1.867 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.380 -1.444 1.866 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.254 -4.180 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.060 -2.008 4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.816 -3.173 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.189 -5.635 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.458 -5.237 4.660 1.00 0.00 H new ATOM 534 N THR A 40 -7.750 -3.996 -1.531 1.00 0.00 N ATOM 535 CA THR A 40 -6.593 -4.882 -1.518 1.00 0.00 C ATOM 536 C THR A 40 -5.423 -4.268 -2.279 1.00 0.00 C ATOM 537 O THR A 40 -5.601 -3.691 -3.352 1.00 0.00 O ATOM 538 CB THR A 40 -6.928 -6.256 -2.129 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.987 -6.869 -1.383 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.706 -7.161 -2.107 1.00 0.00 C ATOM 0 H THR A 40 -8.001 -3.643 -2.454 1.00 0.00 H new ATOM 0 HA THR A 40 -6.311 -5.019 -0.474 1.00 0.00 H new ATOM 0 HB THR A 40 -7.241 -6.111 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.793 -6.314 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.961 -8.127 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.904 -6.703 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.376 -7.302 -1.078 1.00 0.00 H new ATOM 548 N VAL A 41 -4.225 -4.398 -1.716 1.00 0.00 N ATOM 549 CA VAL A 41 -3.020 -3.888 -2.360 1.00 0.00 C ATOM 550 C VAL A 41 -2.007 -5.005 -2.592 1.00 0.00 C ATOM 551 O VAL A 41 -1.675 -5.757 -1.676 1.00 0.00 O ATOM 552 CB VAL A 41 -2.361 -2.774 -1.526 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.124 -2.240 -2.233 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.351 -1.648 -1.264 1.00 0.00 C ATOM 0 H VAL A 41 -4.064 -4.851 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.327 -3.474 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.056 -3.196 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.671 -1.453 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.407 -3.049 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.407 -1.834 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.868 -0.869 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.685 -1.229 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.210 -2.038 -0.718 1.00 0.00 H new ATOM 564 N VAL A 42 -1.517 -5.106 -3.823 1.00 0.00 N ATOM 565 CA VAL A 42 -0.493 -6.087 -4.161 1.00 0.00 C ATOM 566 C VAL A 42 0.865 -5.419 -4.351 1.00 0.00 C ATOM 567 O VAL A 42 1.002 -4.484 -5.140 1.00 0.00 O ATOM 568 CB VAL A 42 -0.855 -6.867 -5.439 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.250 -7.850 -5.794 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.179 -7.596 -5.261 1.00 0.00 C ATOM 0 H VAL A 42 -1.813 -4.520 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.439 -6.786 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.960 -6.156 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.023 -8.392 -6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.180 -7.307 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.386 -8.556 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.419 -8.142 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.100 -8.296 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.967 -6.873 -5.053 1.00 0.00 H new ATOM 580 N VAL A 43 1.865 -5.905 -3.624 1.00 0.00 N ATOM 581 CA VAL A 43 3.153 -5.225 -3.542 1.00 0.00 C ATOM 582 C VAL A 43 4.290 -6.149 -3.960 1.00 0.00 C ATOM 583 O VAL A 43 4.396 -7.276 -3.478 1.00 0.00 O ATOM 584 CB VAL A 43 3.425 -4.700 -2.119 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.765 -3.982 -2.065 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.305 -3.773 -1.670 1.00 0.00 C ATOM 0 H VAL A 43 1.809 -6.768 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 43 3.107 -4.379 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 43 3.461 -5.550 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.942 -3.617 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.560 -4.673 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.755 -3.140 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.513 -3.412 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.238 -2.926 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.360 -4.316 -1.672 1.00 0.00 H new ATOM 596 N GLY A 44 5.139 -5.664 -4.860 1.00 0.00 N ATOM 597 CA GLY A 44 6.273 -6.451 -5.310 1.00 0.00 C ATOM 598 C GLY A 44 7.452 -6.363 -4.362 1.00 0.00 C ATOM 599 O GLY A 44 7.287 -6.065 -3.180 1.00 0.00 O ATOM 0 H GLY A 44 5.062 -4.740 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.970 -7.493 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.579 -6.109 -6.299 1.00 0.00 H new ATOM 603 N GLY A 45 8.649 -6.625 -4.882 1.00 0.00 N ATOM 604 CA GLY A 45 9.838 -6.604 -4.051 1.00 0.00 C ATOM 605 C GLY A 45 10.043 -5.268 -3.365 1.00 0.00 C ATOM 606 O GLY A 45 10.272 -4.253 -4.021 1.00 0.00 O ATOM 0 H GLY A 45 8.815 -6.851 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.765 -7.388 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.710 -6.832 -4.664 1.00 0.00 H new ATOM 610 N VAL A 46 9.958 -5.268 -2.038 1.00 0.00 N ATOM 611 CA VAL A 46 10.058 -4.034 -1.266 1.00 0.00 C ATOM 612 C VAL A 46 10.738 -4.279 0.075 1.00 0.00 C ATOM 613 O VAL A 46 11.067 -5.414 0.419 1.00 0.00 O ATOM 614 CB VAL A 46 8.671 -3.408 -1.021 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.050 -2.958 -2.336 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.758 -4.395 -0.312 1.00 0.00 C ATOM 0 H VAL A 46 9.820 -6.108 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 46 10.660 -3.342 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 46 8.796 -2.534 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.071 -2.518 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.695 -2.217 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.939 -3.816 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.783 -3.936 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.639 -5.287 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.196 -4.671 0.647 1.00 0.00 H new ATOM 626 N SER A 47 10.946 -3.206 0.831 1.00 0.00 N ATOM 627 CA SER A 47 11.475 -3.316 2.185 1.00 0.00 C ATOM 628 C SER A 47 10.497 -4.056 3.092 1.00 0.00 C ATOM 629 O SER A 47 9.376 -4.369 2.690 1.00 0.00 O ATOM 630 CB SER A 47 11.776 -1.938 2.743 1.00 0.00 C ATOM 631 OG SER A 47 10.610 -1.196 2.974 1.00 0.00 O ATOM 0 H SER A 47 10.756 -2.250 0.529 1.00 0.00 H new ATOM 0 HA SER A 47 12.401 -3.889 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.332 -2.038 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.417 -1.398 2.046 1.00 0.00 H new ATOM 0 HG SER A 47 10.848 -0.316 3.334 1.00 0.00 H new ATOM 637 N ASP A 48 10.930 -4.334 4.316 1.00 0.00 N ATOM 638 CA ASP A 48 10.154 -5.165 5.231 1.00 0.00 C ATOM 639 C ASP A 48 8.664 -4.874 5.099 1.00 0.00 C ATOM 640 O ASP A 48 8.230 -3.729 5.228 1.00 0.00 O ATOM 641 CB ASP A 48 10.610 -4.945 6.676 1.00 0.00 C ATOM 642 CG ASP A 48 9.905 -5.826 7.699 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.010 -6.545 7.319 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.365 -5.893 8.814 1.00 0.00 O ATOM 0 H ASP A 48 11.813 -3.997 4.698 1.00 0.00 H new ATOM 0 HA ASP A 48 10.325 -6.208 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.683 -5.126 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.447 -3.900 6.941 1.00 0.00 H new ATOM 649 N ALA A 49 7.883 -5.917 4.841 1.00 0.00 N ATOM 650 CA ALA A 49 6.442 -5.771 4.672 1.00 0.00 C ATOM 651 C ALA A 49 5.812 -5.105 5.890 1.00 0.00 C ATOM 652 O ALA A 49 4.799 -4.414 5.776 1.00 0.00 O ATOM 653 CB ALA A 49 5.800 -7.126 4.418 1.00 0.00 C ATOM 0 H ALA A 49 8.224 -6.873 4.744 1.00 0.00 H new ATOM 0 HA ALA A 49 6.265 -5.131 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.724 -7.001 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.221 -7.564 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.994 -7.785 5.265 1.00 0.00 H new ATOM 659 N ALA A 50 6.416 -5.316 7.054 1.00 0.00 N ATOM 660 CA ALA A 50 5.964 -4.668 8.279 1.00 0.00 C ATOM 661 C ALA A 50 6.041 -3.150 8.157 1.00 0.00 C ATOM 662 O ALA A 50 5.132 -2.436 8.582 1.00 0.00 O ATOM 663 CB ALA A 50 6.789 -5.148 9.464 1.00 0.00 C ATOM 0 H ALA A 50 7.220 -5.931 7.175 1.00 0.00 H new ATOM 0 HA ALA A 50 4.921 -4.940 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.441 -4.656 10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.679 -6.227 9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.839 -4.905 9.299 1.00 0.00 H new ATOM 669 N HIS A 51 7.132 -2.662 7.576 1.00 0.00 N ATOM 670 CA HIS A 51 7.279 -1.238 7.300 1.00 0.00 C ATOM 671 C HIS A 51 6.283 -0.784 6.237 1.00 0.00 C ATOM 672 O HIS A 51 5.767 0.332 6.294 1.00 0.00 O ATOM 673 CB HIS A 51 8.709 -0.916 6.853 1.00 0.00 C ATOM 674 CG HIS A 51 8.939 0.536 6.571 1.00 0.00 C ATOM 675 ND1 HIS A 51 8.885 1.501 7.555 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.224 1.187 5.419 1.00 0.00 C ATOM 677 CE1 HIS A 51 9.128 2.685 7.018 1.00 0.00 C ATOM 678 NE2 HIS A 51 9.335 2.521 5.725 1.00 0.00 N ATOM 0 H HIS A 51 7.927 -3.232 7.287 1.00 0.00 H new ATOM 0 HA HIS A 51 7.072 -0.696 8.223 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.404 -1.241 7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.938 -1.492 5.956 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.689 1.329 8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.342 0.741 4.443 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.153 3.626 7.548 1.00 0.00 H new ATOM 685 N ILE A 52 6.020 -1.656 5.270 1.00 0.00 N ATOM 686 CA ILE A 52 5.061 -1.357 4.213 1.00 0.00 C ATOM 687 C ILE A 52 3.663 -1.140 4.784 1.00 0.00 C ATOM 688 O ILE A 52 2.919 -0.279 4.317 1.00 0.00 O ATOM 689 CB ILE A 52 5.009 -2.481 3.163 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.374 -2.648 2.492 1.00 0.00 C ATOM 691 CG2 ILE A 52 3.934 -2.191 2.126 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.846 -1.415 1.753 1.00 0.00 C ATOM 0 H ILE A 52 6.457 -2.575 5.196 1.00 0.00 H new ATOM 0 HA ILE A 52 5.399 -0.440 3.731 1.00 0.00 H new ATOM 0 HB ILE A 52 4.757 -3.414 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.112 -2.910 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.325 -3.483 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.911 -2.996 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.964 -2.121 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.156 -1.249 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.820 -1.610 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.130 -1.163 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.929 -0.582 2.451 1.00 0.00 H new ATOM 704 N ALA A 53 3.317 -1.924 5.799 1.00 0.00 N ATOM 705 CA ALA A 53 2.042 -1.762 6.489 1.00 0.00 C ATOM 706 C ALA A 53 1.975 -0.421 7.211 1.00 0.00 C ATOM 707 O ALA A 53 0.915 0.199 7.290 1.00 0.00 O ATOM 708 CB ALA A 53 1.826 -2.903 7.472 1.00 0.00 C ATOM 0 H ALA A 53 3.901 -2.677 6.162 1.00 0.00 H new ATOM 0 HA ALA A 53 1.248 -1.784 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.871 -2.770 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.822 -3.851 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.631 -2.907 8.207 1.00 0.00 H new ATOM 714 N GLU A 54 3.114 0.022 7.735 1.00 0.00 N ATOM 715 CA GLU A 54 3.177 1.281 8.467 1.00 0.00 C ATOM 716 C GLU A 54 2.946 2.466 7.535 1.00 0.00 C ATOM 717 O GLU A 54 2.223 3.404 7.874 1.00 0.00 O ATOM 718 CB GLU A 54 4.526 1.422 9.177 1.00 0.00 C ATOM 719 CG GLU A 54 4.720 0.475 10.352 1.00 0.00 C ATOM 720 CD GLU A 54 6.125 0.544 10.884 1.00 0.00 C ATOM 721 OE1 GLU A 54 6.929 1.227 10.296 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.366 0.007 11.939 1.00 0.00 O ATOM 0 H GLU A 54 4.004 -0.472 7.666 1.00 0.00 H new ATOM 0 HA GLU A 54 2.385 1.275 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.323 1.252 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.631 2.447 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.016 0.727 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.497 -0.545 10.040 1.00 0.00 H new ATOM 729 N ILE A 55 3.564 2.415 6.360 1.00 0.00 N ATOM 730 CA ILE A 55 3.445 3.497 5.389 1.00 0.00 C ATOM 731 C ILE A 55 2.085 3.470 4.701 1.00 0.00 C ATOM 732 O ILE A 55 1.619 4.487 4.184 1.00 0.00 O ATOM 733 CB ILE A 55 4.553 3.421 4.322 1.00 0.00 C ATOM 734 CG1 ILE A 55 4.450 2.111 3.537 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.923 3.553 4.968 1.00 0.00 C ATOM 736 CD1 ILE A 55 5.444 1.997 2.404 1.00 0.00 C ATOM 0 H ILE A 55 4.151 1.638 6.057 1.00 0.00 H new ATOM 0 HA ILE A 55 3.550 4.431 5.941 1.00 0.00 H new ATOM 0 HB ILE A 55 4.421 4.249 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.597 1.276 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.442 2.019 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.694 3.497 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.992 4.511 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.066 2.745 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.309 1.042 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.284 2.811 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.457 2.056 2.802 1.00 0.00 H new ATOM 748 N ILE A 56 1.451 2.303 4.699 1.00 0.00 N ATOM 749 CA ILE A 56 0.039 2.200 4.352 1.00 0.00 C ATOM 750 C ILE A 56 -0.833 2.922 5.373 1.00 0.00 C ATOM 751 O ILE A 56 -1.781 3.622 5.013 1.00 0.00 O ATOM 752 CB ILE A 56 -0.413 0.731 4.249 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.178 0.078 2.998 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.931 0.642 4.235 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.021 -1.425 2.962 1.00 0.00 C ATOM 0 H ILE A 56 1.893 1.414 4.934 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.081 2.674 3.378 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.047 0.192 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.300 0.505 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.238 0.325 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.234 -0.403 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.329 1.072 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.320 1.193 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.464 -1.815 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.524 -1.864 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.038 -1.681 2.990 1.00 0.00 H new ATOM 767 N THR A 57 -0.505 2.749 6.650 1.00 0.00 N ATOM 768 CA THR A 57 -1.182 3.475 7.717 1.00 0.00 C ATOM 769 C THR A 57 -0.972 4.979 7.578 1.00 0.00 C ATOM 770 O THR A 57 -1.833 5.773 7.958 1.00 0.00 O ATOM 771 CB THR A 57 -0.691 3.024 9.105 1.00 0.00 C ATOM 772 OG1 THR A 57 -1.018 1.642 9.305 1.00 0.00 O ATOM 773 CG2 THR A 57 -1.342 3.859 10.198 1.00 0.00 C ATOM 0 H THR A 57 0.225 2.113 6.970 1.00 0.00 H new ATOM 0 HA THR A 57 -2.245 3.250 7.627 1.00 0.00 H new ATOM 0 HB THR A 57 0.389 3.159 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.478 1.088 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.983 3.526 11.172 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.085 4.909 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.425 3.741 10.150 1.00 0.00 H new ATOM 781 N ALA A 58 0.176 5.363 7.029 1.00 0.00 N ATOM 782 CA ALA A 58 0.497 6.772 6.836 1.00 0.00 C ATOM 783 C ALA A 58 -0.497 7.435 5.889 1.00 0.00 C ATOM 784 O ALA A 58 -0.641 8.658 5.881 1.00 0.00 O ATOM 785 CB ALA A 58 1.915 6.923 6.308 1.00 0.00 C ATOM 0 H ALA A 58 0.899 4.718 6.710 1.00 0.00 H new ATOM 0 HA ALA A 58 0.427 7.272 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.141 7.980 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.617 6.493 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.005 6.404 5.354 1.00 0.00 H new ATOM 791 N ALA A 59 -1.180 6.622 5.089 1.00 0.00 N ATOM 792 CA ALA A 59 -2.170 7.130 4.148 1.00 0.00 C ATOM 793 C ALA A 59 -3.485 7.447 4.851 1.00 0.00 C ATOM 794 O ALA A 59 -4.415 7.973 4.241 1.00 0.00 O ATOM 795 CB ALA A 59 -2.398 6.123 3.029 1.00 0.00 C ATOM 0 H ALA A 59 -1.065 5.609 5.074 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.786 8.055 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.140 6.514 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.461 5.948 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.757 5.185 3.452 1.00 0.00 H new ATOM 801 N GLY A 60 -3.556 7.122 6.138 1.00 0.00 N ATOM 802 CA GLY A 60 -4.723 7.473 6.928 1.00 0.00 C ATOM 803 C GLY A 60 -5.731 6.346 7.004 1.00 0.00 C ATOM 804 O GLY A 60 -6.726 6.441 7.724 1.00 0.00 O ATOM 0 H GLY A 60 -2.827 6.622 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.408 7.743 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.199 8.353 6.496 1.00 0.00 H new ATOM 808 N TYR A 61 -5.477 5.275 6.261 1.00 0.00 N ATOM 809 CA TYR A 61 -6.332 4.094 6.301 1.00 0.00 C ATOM 810 C TYR A 61 -5.619 2.928 6.974 1.00 0.00 C ATOM 811 O TYR A 61 -4.448 2.658 6.703 1.00 0.00 O ATOM 812 CB TYR A 61 -6.770 3.701 4.888 1.00 0.00 C ATOM 813 CG TYR A 61 -7.826 4.609 4.298 1.00 0.00 C ATOM 814 CD1 TYR A 61 -8.583 5.443 5.109 1.00 0.00 C ATOM 815 CD2 TYR A 61 -8.063 4.631 2.932 1.00 0.00 C ATOM 816 CE1 TYR A 61 -9.550 6.273 4.576 1.00 0.00 C ATOM 817 CE2 TYR A 61 -9.027 5.457 2.388 1.00 0.00 C ATOM 818 CZ TYR A 61 -9.768 6.278 3.213 1.00 0.00 C ATOM 819 OH TYR A 61 -10.729 7.103 2.676 1.00 0.00 O ATOM 0 H TYR A 61 -4.685 5.200 5.623 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.217 4.339 6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.898 3.702 4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.152 2.680 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.413 5.443 6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.484 3.991 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.132 6.914 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.200 5.460 1.322 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.514 6.572 2.426 1.00 0.00 H new ATOM 829 N THR A 62 -6.333 2.236 7.858 1.00 0.00 N ATOM 830 CA THR A 62 -5.773 1.092 8.566 1.00 0.00 C ATOM 831 C THR A 62 -6.505 -0.194 8.200 1.00 0.00 C ATOM 832 O THR A 62 -7.666 -0.179 7.788 1.00 0.00 O ATOM 833 CB THR A 62 -5.829 1.288 10.092 1.00 0.00 C ATOM 834 OG1 THR A 62 -7.194 1.277 10.527 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.186 2.609 10.484 1.00 0.00 C ATOM 0 H THR A 62 -7.301 2.449 8.100 1.00 0.00 H new ATOM 0 HA THR A 62 -4.730 1.012 8.259 1.00 0.00 H new ATOM 0 HB THR A 62 -5.282 0.475 10.568 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.735 1.823 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.235 2.730 11.566 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.144 2.615 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.718 3.430 10.002 1.00 0.00 H new