USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 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: B 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.048 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.288 K(o=0.34,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0 (180deg=-0.52) USER MOD Single : A 5 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.048) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.00139 USER MOD Single : A 9 SER OG : rot -53:sc= 1.25 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.99) USER MOD Single : A 19 TYR OH : rot 172:sc= 0.135 USER MOD Single : A 21 ASN : amide:sc= -0.911 K(o=-0.91,f=-0.11) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.32 K(o=-0.32,f=-4.3!) USER MOD Single : B 4 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.29) USER MOD Single : B 5 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-2.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0303 USER MOD Single : B 10 HIS : no HD1:sc=-0.00713 X(o=-0.0071,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -60:sc= 1.2 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.001 0.019 -0.528 1.00 25.00 N ATOM 2 CA GLY A 1 1.478 -0.643 -1.792 1.00 25.00 C ATOM 3 C GLY A 1 0.756 -0.325 -3.128 1.00 25.00 C ATOM 4 O GLY A 1 -0.408 -0.017 -3.244 1.00 25.00 O ATOM 0 H1 GLY A 1 1.183 -0.607 0.282 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.509 0.916 -0.393 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.020 0.206 -0.598 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.531 -0.390 -1.919 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.426 -1.721 -1.639 1.00 25.00 H new ATOM 9 N ILE A 2 1.482 -0.458 -4.218 1.00 25.00 N ATOM 10 CA ILE A 2 0.930 -0.121 -5.532 1.00 25.00 C ATOM 11 C ILE A 2 -0.102 -1.170 -6.002 1.00 25.00 C ATOM 12 O ILE A 2 -0.959 -0.940 -6.867 1.00 25.00 O ATOM 13 CB ILE A 2 2.095 0.066 -6.562 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.630 0.927 -7.748 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.671 -1.283 -7.014 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.448 2.427 -7.393 1.00 25.00 C ATOM 0 H ILE A 2 2.446 -0.792 -4.231 1.00 25.00 H new ATOM 0 HA ILE A 2 0.389 0.822 -5.455 1.00 25.00 H new ATOM 0 HB ILE A 2 2.908 0.597 -6.067 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.356 0.839 -8.557 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.685 0.534 -8.123 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.477 -1.114 -7.728 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.060 -1.821 -6.149 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.886 -1.874 -7.486 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.119 2.973 -8.277 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.700 2.527 -6.606 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.397 2.837 -7.046 1.00 25.00 H new ATOM 28 N VAL A 3 -0.024 -2.354 -5.404 1.00 25.00 N ATOM 29 CA VAL A 3 -0.868 -3.469 -5.800 1.00 25.00 C ATOM 30 C VAL A 3 -2.263 -3.164 -5.356 1.00 25.00 C ATOM 31 O VAL A 3 -3.177 -3.291 -6.185 1.00 25.00 O ATOM 32 CB VAL A 3 -0.375 -4.826 -5.159 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.399 -5.931 -5.315 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.973 -5.240 -5.781 1.00 25.00 C ATOM 0 H VAL A 3 0.619 -2.564 -4.640 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.824 -3.593 -6.882 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.242 -4.663 -4.090 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.019 -6.846 -4.860 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.327 -5.639 -4.823 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.589 -6.104 -6.374 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.307 -6.176 -5.335 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.852 -5.373 -6.856 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.714 -4.463 -5.593 1.00 25.00 H new ATOM 44 N GLU A 4 -2.454 -2.784 -4.127 1.00 25.00 N ATOM 45 CA GLU A 4 -3.783 -2.452 -3.674 1.00 25.00 C ATOM 46 C GLU A 4 -4.276 -1.221 -4.382 1.00 25.00 C ATOM 47 O GLU A 4 -5.442 -1.140 -4.635 1.00 25.00 O ATOM 48 CB GLU A 4 -3.884 -2.353 -2.144 1.00 25.00 C ATOM 49 CG GLU A 4 -3.122 -1.255 -1.419 1.00 25.00 C ATOM 50 CD GLU A 4 -1.862 -1.751 -0.818 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.063 -2.408 -1.474 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.740 -1.476 0.435 1.00 25.00 O ATOM 0 H GLU A 4 -1.720 -2.695 -3.424 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.447 -3.275 -3.939 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -4.939 -2.242 -1.892 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.556 -3.307 -1.731 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.897 -0.449 -2.118 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.753 -0.832 -0.638 1.00 25.00 H new ATOM 60 N GLN A 5 -3.412 -0.252 -4.754 1.00 25.00 N ATOM 61 CA GLN A 5 -3.906 0.879 -5.543 1.00 25.00 C ATOM 62 C GLN A 5 -4.487 0.371 -6.873 1.00 25.00 C ATOM 63 O GLN A 5 -5.583 0.757 -7.246 1.00 25.00 O ATOM 64 CB GLN A 5 -2.783 1.884 -5.773 1.00 25.00 C ATOM 65 CG GLN A 5 -2.372 2.685 -4.514 1.00 25.00 C ATOM 66 CD GLN A 5 -3.447 3.702 -4.068 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.788 3.770 -2.907 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.955 4.483 -5.000 1.00 25.00 N ATOM 0 H GLN A 5 -2.417 -0.233 -4.530 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.702 1.386 -4.997 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.910 1.353 -6.152 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.092 2.584 -6.549 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.175 1.991 -3.697 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.440 3.214 -4.715 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.641 4.394 -5.966 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.662 5.176 -4.755 1.00 25.00 H new ATOM 77 N CYS A 6 -3.791 -0.517 -7.562 1.00 25.00 N ATOM 78 CA CYS A 6 -4.242 -1.021 -8.845 1.00 25.00 C ATOM 79 C CYS A 6 -5.441 -1.975 -8.705 1.00 25.00 C ATOM 80 O CYS A 6 -6.125 -2.258 -9.690 1.00 25.00 O ATOM 81 CB CYS A 6 -3.051 -1.735 -9.496 1.00 25.00 C ATOM 82 SG CYS A 6 -3.067 -1.581 -11.317 1.00 25.00 S ATOM 0 H CYS A 6 -2.902 -0.906 -7.249 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.588 -0.193 -9.463 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.122 -1.319 -9.106 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.068 -2.790 -9.222 1.00 25.00 H new ATOM 87 N CYS A 7 -5.702 -2.483 -7.514 1.00 25.00 N ATOM 88 CA CYS A 7 -6.852 -3.353 -7.328 1.00 25.00 C ATOM 89 C CYS A 7 -8.076 -2.493 -7.095 1.00 25.00 C ATOM 90 O CYS A 7 -9.147 -2.741 -7.657 1.00 25.00 O ATOM 91 CB CYS A 7 -6.546 -4.302 -6.165 1.00 25.00 C ATOM 92 SG CYS A 7 -7.679 -5.713 -5.964 1.00 25.00 S ATOM 0 H CYS A 7 -5.147 -2.314 -6.675 1.00 25.00 H new ATOM 0 HA CYS A 7 -7.056 -3.965 -8.207 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.535 -4.689 -6.295 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.550 -3.724 -5.241 1.00 25.00 H new ATOM 97 N THR A 8 -7.945 -1.466 -6.265 1.00 25.00 N ATOM 98 CA THR A 8 -9.109 -0.665 -5.870 1.00 25.00 C ATOM 99 C THR A 8 -9.395 0.433 -6.881 1.00 25.00 C ATOM 100 O THR A 8 -10.515 0.949 -6.903 1.00 25.00 O ATOM 101 CB THR A 8 -8.853 -0.080 -4.433 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.066 0.373 -3.873 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.879 1.114 -4.430 1.00 25.00 C ATOM 0 H THR A 8 -7.061 -1.167 -5.854 1.00 25.00 H new ATOM 0 HA THR A 8 -9.996 -1.298 -5.846 1.00 25.00 H new ATOM 0 HB THR A 8 -8.414 -0.893 -3.855 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.641 0.730 -4.582 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.745 1.471 -3.409 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.917 0.800 -4.834 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.286 1.917 -5.045 1.00 25.00 H new ATOM 111 N SER A 9 -8.402 0.774 -7.726 1.00 25.00 N ATOM 112 CA SER A 9 -8.568 1.793 -8.805 1.00 25.00 C ATOM 113 C SER A 9 -8.082 1.203 -10.118 1.00 25.00 C ATOM 114 O SER A 9 -7.562 0.081 -10.084 1.00 25.00 O ATOM 115 CB SER A 9 -7.799 3.080 -8.480 1.00 25.00 C ATOM 116 OG SER A 9 -6.393 2.954 -8.559 1.00 25.00 O ATOM 0 H SER A 9 -7.470 0.362 -7.689 1.00 25.00 H new ATOM 0 HA SER A 9 -9.623 2.055 -8.884 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.121 3.864 -9.165 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.067 3.405 -7.475 1.00 25.00 H new ATOM 0 HG SER A 9 -6.101 2.196 -8.010 1.00 25.00 H new ATOM 122 N ILE A 10 -8.321 1.860 -11.252 1.00 25.00 N ATOM 123 CA ILE A 10 -7.844 1.352 -12.545 1.00 25.00 C ATOM 124 C ILE A 10 -6.492 2.026 -12.860 1.00 25.00 C ATOM 125 O ILE A 10 -6.387 3.246 -12.784 1.00 25.00 O ATOM 126 CB ILE A 10 -8.938 1.553 -13.685 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.204 0.749 -13.333 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.400 1.139 -15.068 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.441 1.067 -14.238 1.00 25.00 C ATOM 0 H ILE A 10 -8.837 2.738 -11.306 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.683 0.275 -12.498 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.186 2.613 -13.739 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.977 -0.315 -13.408 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.468 0.946 -12.294 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.175 1.290 -15.820 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.530 1.746 -15.316 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.115 0.087 -15.047 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.289 0.458 -13.923 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.698 2.122 -14.146 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.199 0.842 -15.277 1.00 25.00 H new ATOM 141 N CYS A 11 -5.515 1.221 -13.248 1.00 25.00 N ATOM 142 CA CYS A 11 -4.211 1.679 -13.692 1.00 25.00 C ATOM 143 C CYS A 11 -4.251 1.886 -15.167 1.00 25.00 C ATOM 144 O CYS A 11 -4.583 0.990 -15.924 1.00 25.00 O ATOM 145 CB CYS A 11 -3.162 0.572 -13.438 1.00 25.00 C ATOM 146 SG CYS A 11 -2.789 0.396 -11.677 1.00 25.00 S ATOM 0 H CYS A 11 -5.611 0.206 -13.263 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.958 2.595 -13.158 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.532 -0.376 -13.828 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.247 0.806 -13.982 1.00 25.00 H new ATOM 151 N SER A 12 -3.846 3.055 -15.621 1.00 25.00 N ATOM 152 CA SER A 12 -3.738 3.318 -17.096 1.00 25.00 C ATOM 153 C SER A 12 -2.454 2.763 -17.666 1.00 25.00 C ATOM 154 O SER A 12 -1.487 2.537 -16.962 1.00 25.00 O ATOM 155 CB SER A 12 -3.771 4.834 -17.329 1.00 25.00 C ATOM 156 OG SER A 12 -4.221 5.556 -16.190 1.00 25.00 O ATOM 0 H SER A 12 -3.584 3.842 -15.027 1.00 25.00 H new ATOM 0 HA SER A 12 -4.573 2.826 -17.595 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.773 5.177 -17.600 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.424 5.053 -18.174 1.00 25.00 H new ATOM 0 HG SER A 12 -4.222 6.515 -16.390 1.00 25.00 H new ATOM 162 N LEU A 13 -2.410 2.671 -18.997 1.00 25.00 N ATOM 163 CA LEU A 13 -1.204 2.216 -19.696 1.00 25.00 C ATOM 164 C LEU A 13 0.055 3.004 -19.325 1.00 25.00 C ATOM 165 O LEU A 13 1.110 2.424 -19.142 1.00 25.00 O ATOM 166 CB LEU A 13 -1.435 2.284 -21.198 1.00 25.00 C ATOM 167 CG LEU A 13 -2.146 1.037 -21.733 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.687 1.250 -23.124 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.149 -0.191 -21.732 1.00 25.00 C ATOM 0 H LEU A 13 -3.191 2.904 -19.611 1.00 25.00 H new ATOM 0 HA LEU A 13 -1.025 1.189 -19.379 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -2.029 3.167 -21.433 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.478 2.400 -21.706 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.991 0.832 -21.075 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -3.183 0.341 -23.465 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.403 2.072 -23.114 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.867 1.491 -23.800 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.660 -1.075 -22.113 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.292 0.035 -22.367 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.806 -0.381 -20.715 1.00 25.00 H new ATOM 181 N TYR A 14 -0.053 4.309 -19.289 1.00 25.00 N ATOM 182 CA TYR A 14 1.092 5.184 -19.005 1.00 25.00 C ATOM 183 C TYR A 14 1.573 4.932 -17.595 1.00 25.00 C ATOM 184 O TYR A 14 2.779 4.915 -17.356 1.00 25.00 O ATOM 185 CB TYR A 14 0.615 6.607 -19.167 1.00 25.00 C ATOM 186 CG TYR A 14 -0.602 6.710 -20.050 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.497 6.512 -21.445 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.867 6.987 -19.502 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.638 6.597 -22.282 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.044 7.049 -20.366 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.921 6.872 -21.702 1.00 25.00 C ATOM 192 OH TYR A 14 -4.051 6.944 -22.452 1.00 25.00 O ATOM 0 H TYR A 14 -0.927 4.808 -19.453 1.00 25.00 H new ATOM 0 HA TYR A 14 1.924 4.991 -19.682 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.385 7.024 -18.186 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.419 7.210 -19.589 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.467 6.293 -21.880 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.969 7.154 -18.440 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.542 6.456 -23.348 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.017 7.237 -19.936 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.817 7.138 -21.872 1.00 25.00 H new ATOM 202 N GLN A 15 0.647 4.637 -16.684 1.00 25.00 N ATOM 203 CA GLN A 15 1.022 4.395 -15.278 1.00 25.00 C ATOM 204 C GLN A 15 1.748 3.078 -15.177 1.00 25.00 C ATOM 205 O GLN A 15 2.687 2.968 -14.456 1.00 25.00 O ATOM 206 CB GLN A 15 -0.211 4.355 -14.388 1.00 25.00 C ATOM 207 CG GLN A 15 -1.166 5.611 -14.479 1.00 25.00 C ATOM 208 CD GLN A 15 -2.198 5.652 -13.382 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.137 4.887 -13.362 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.029 6.542 -12.435 1.00 25.00 N ATOM 0 H GLN A 15 -0.351 4.559 -16.881 1.00 25.00 H new ATOM 0 HA GLN A 15 1.667 5.209 -14.945 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.788 3.465 -14.638 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.114 4.244 -13.354 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.565 6.520 -14.438 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.671 5.606 -15.445 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.232 7.178 -12.469 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.694 6.599 -11.664 1.00 25.00 H new ATOM 219 N LEU A 16 1.304 2.070 -15.902 1.00 25.00 N ATOM 220 CA LEU A 16 1.986 0.766 -15.889 1.00 25.00 C ATOM 221 C LEU A 16 3.400 0.876 -16.513 1.00 25.00 C ATOM 222 O LEU A 16 4.352 0.280 -15.995 1.00 25.00 O ATOM 223 CB LEU A 16 1.118 -0.275 -16.613 1.00 25.00 C ATOM 224 CG LEU A 16 -0.255 -0.618 -16.017 1.00 25.00 C ATOM 225 CD1 LEU A 16 -1.007 -1.437 -17.092 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.156 -1.407 -14.707 1.00 25.00 C ATOM 0 H LEU A 16 0.483 2.115 -16.506 1.00 25.00 H new ATOM 0 HA LEU A 16 2.121 0.439 -14.858 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.960 0.075 -17.633 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.692 -1.199 -16.679 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.784 0.300 -15.762 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.994 -1.708 -16.718 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.113 -0.839 -17.997 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.444 -2.342 -17.320 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.158 -1.620 -14.334 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.372 -2.344 -14.886 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.389 -0.819 -13.968 1.00 25.00 H new ATOM 238 N GLU A 17 3.532 1.744 -17.502 1.00 25.00 N ATOM 239 CA GLU A 17 4.825 2.065 -18.071 1.00 25.00 C ATOM 240 C GLU A 17 5.744 2.715 -17.045 1.00 25.00 C ATOM 241 O GLU A 17 6.915 2.357 -16.969 1.00 25.00 O ATOM 242 CB GLU A 17 4.659 2.955 -19.320 1.00 25.00 C ATOM 243 CG GLU A 17 4.119 2.224 -20.505 1.00 25.00 C ATOM 244 CD GLU A 17 5.211 1.545 -21.329 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.634 1.991 -22.360 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.676 0.431 -20.852 1.00 25.00 O ATOM 0 H GLU A 17 2.751 2.242 -17.929 1.00 25.00 H new ATOM 0 HA GLU A 17 5.298 1.132 -18.377 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.993 3.784 -19.080 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.625 3.387 -19.579 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.404 1.473 -20.168 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.573 2.922 -21.139 1.00 25.00 H new ATOM 254 N ASN A 18 5.216 3.569 -16.179 1.00 25.00 N ATOM 255 CA ASN A 18 6.029 4.162 -15.107 1.00 25.00 C ATOM 256 C ASN A 18 6.480 3.152 -14.045 1.00 25.00 C ATOM 257 O ASN A 18 7.397 3.471 -13.258 1.00 25.00 O ATOM 258 CB ASN A 18 5.251 5.282 -14.426 1.00 25.00 C ATOM 259 CG ASN A 18 5.069 6.483 -15.311 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.838 6.751 -16.173 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.004 7.198 -15.070 1.00 25.00 N ATOM 0 H ASN A 18 4.241 3.869 -16.190 1.00 25.00 H new ATOM 0 HA ASN A 18 6.929 4.545 -15.587 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.273 4.908 -14.123 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.773 5.581 -13.517 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.806 8.025 -15.634 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.369 6.930 -14.318 1.00 25.00 H new ATOM 268 N TYR A 19 5.874 1.980 -13.951 1.00 25.00 N ATOM 269 CA TYR A 19 6.310 1.035 -12.922 1.00 25.00 C ATOM 270 C TYR A 19 7.528 0.225 -13.379 1.00 25.00 C ATOM 271 O TYR A 19 8.228 -0.357 -12.547 1.00 25.00 O ATOM 272 CB TYR A 19 5.175 0.069 -12.614 1.00 25.00 C ATOM 273 CG TYR A 19 3.865 0.672 -12.139 1.00 25.00 C ATOM 274 CD1 TYR A 19 3.782 2.002 -11.620 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.680 -0.077 -12.194 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.563 2.534 -11.186 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.441 0.477 -11.792 1.00 25.00 C ATOM 278 CZ TYR A 19 1.379 1.770 -11.304 1.00 25.00 C ATOM 279 OH TYR A 19 0.152 2.298 -10.967 1.00 25.00 O ATOM 0 H TYR A 19 5.108 1.663 -14.546 1.00 25.00 H new ATOM 0 HA TYR A 19 6.586 1.608 -12.037 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.973 -0.514 -13.513 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.522 -0.629 -11.852 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.675 2.606 -11.562 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.714 -1.096 -12.550 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.526 3.526 -10.762 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.539 -0.113 -11.867 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.557 1.676 -11.236 1.00 25.00 H new ATOM 289 N CYS A 20 7.771 0.173 -14.681 1.00 25.00 N ATOM 290 CA CYS A 20 8.900 -0.562 -15.207 1.00 25.00 C ATOM 291 C CYS A 20 9.881 0.410 -15.843 1.00 25.00 C ATOM 292 O CYS A 20 9.822 1.611 -15.688 1.00 25.00 O ATOM 293 CB CYS A 20 8.385 -1.559 -16.229 1.00 25.00 C ATOM 294 SG CYS A 20 8.027 -0.849 -17.887 1.00 25.00 S ATOM 0 H CYS A 20 7.198 0.633 -15.388 1.00 25.00 H new ATOM 0 HA CYS A 20 9.419 -1.098 -14.412 1.00 25.00 H new ATOM 0 HB2 CYS A 20 9.121 -2.355 -16.342 1.00 25.00 H new ATOM 0 HB3 CYS A 20 7.475 -2.018 -15.842 1.00 25.00 H new ATOM 299 N ASN A 21 10.898 -0.165 -16.522 1.00 25.00 N ATOM 300 CA ASN A 21 11.955 0.635 -17.244 1.00 25.00 C ATOM 301 C ASN A 21 11.772 0.512 -18.754 1.00 25.00 C ATOM 302 O ASN A 21 12.086 -0.423 -19.439 1.00 25.00 O ATOM 303 CB ASN A 21 13.373 0.161 -16.779 1.00 25.00 C ATOM 304 CG ASN A 21 14.468 1.112 -17.259 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.050 1.900 -16.529 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.692 1.092 -18.550 1.00 25.00 N ATOM 307 OXT ASN A 21 11.236 1.551 -19.302 1.00 25.00 O ATOM 0 H ASN A 21 11.023 -1.175 -16.595 1.00 25.00 H new ATOM 0 HA ASN A 21 11.856 1.692 -16.996 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.397 0.096 -15.691 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.566 -0.841 -17.162 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.362 1.742 -18.961 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.196 0.427 -19.143 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.856 -2.736 -25.976 1.00 25.00 N ATOM 317 CA PHE B 1 -5.830 -2.966 -24.510 1.00 25.00 C ATOM 318 C PHE B 1 -7.046 -2.509 -23.790 1.00 25.00 C ATOM 319 O PHE B 1 -7.665 -1.558 -24.173 1.00 25.00 O ATOM 320 CB PHE B 1 -4.614 -2.199 -23.970 1.00 25.00 C ATOM 321 CG PHE B 1 -4.188 -2.530 -22.584 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.699 -1.771 -21.512 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.207 -3.473 -22.336 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.234 -1.982 -20.184 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.804 -3.736 -21.014 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.280 -2.975 -19.936 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.971 -3.084 -26.398 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.662 -3.245 -26.393 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.953 -1.718 -26.166 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.780 -4.042 -24.341 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.772 -2.378 -24.639 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.835 -1.133 -24.014 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.452 -1.020 -21.701 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.751 -4.007 -23.156 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.615 -1.380 -19.373 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.112 -4.543 -20.825 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.917 -3.152 -18.934 1.00 25.00 H new ATOM 337 N VAL B 2 -7.386 -3.196 -22.667 1.00 25.00 N ATOM 338 CA VAL B 2 -8.544 -2.776 -21.837 1.00 25.00 C ATOM 339 C VAL B 2 -8.083 -2.359 -20.487 1.00 25.00 C ATOM 340 O VAL B 2 -7.493 -3.144 -19.740 1.00 25.00 O ATOM 341 CB VAL B 2 -9.529 -3.956 -21.676 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.837 -3.499 -20.978 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.905 -4.588 -23.041 1.00 25.00 C ATOM 0 H VAL B 2 -6.891 -4.019 -22.324 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.038 -1.940 -22.332 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.017 -4.699 -21.065 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.512 -4.349 -20.878 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.603 -3.103 -19.990 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.316 -2.724 -21.575 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.599 -5.413 -22.881 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.376 -3.835 -23.673 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -9.005 -4.960 -23.530 1.00 25.00 H new ATOM 353 N ASN B 3 -8.325 -1.107 -20.152 1.00 25.00 N ATOM 354 CA ASN B 3 -7.940 -0.609 -18.822 1.00 25.00 C ATOM 355 C ASN B 3 -8.865 -1.231 -17.752 1.00 25.00 C ATOM 356 O ASN B 3 -10.005 -0.921 -17.679 1.00 25.00 O ATOM 357 CB ASN B 3 -8.069 0.956 -18.777 1.00 25.00 C ATOM 358 CG ASN B 3 -9.461 1.465 -19.113 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.014 1.124 -20.165 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.055 2.264 -18.208 1.00 25.00 N ATOM 0 H ASN B 3 -8.775 -0.421 -20.757 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.906 -0.889 -18.621 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.794 1.306 -17.782 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.354 1.391 -19.476 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.998 2.613 -18.377 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.562 2.521 -17.353 1.00 25.00 H new ATOM 367 N GLN B 4 -8.331 -2.097 -16.903 1.00 25.00 N ATOM 368 CA GLN B 4 -9.123 -2.765 -15.834 1.00 25.00 C ATOM 369 C GLN B 4 -8.440 -2.660 -14.445 1.00 25.00 C ATOM 370 O GLN B 4 -7.271 -2.227 -14.343 1.00 25.00 O ATOM 371 CB GLN B 4 -9.321 -4.247 -16.172 1.00 25.00 C ATOM 372 CG GLN B 4 -10.184 -4.484 -17.350 1.00 25.00 C ATOM 373 CD GLN B 4 -11.006 -5.769 -17.168 1.00 25.00 C ATOM 374 OE1 GLN B 4 -11.674 -5.942 -16.181 1.00 25.00 O ATOM 375 NE2 GLN B 4 -10.894 -6.696 -18.050 1.00 25.00 N ATOM 0 H GLN B 4 -7.347 -2.367 -16.919 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.083 -2.252 -15.785 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.347 -4.702 -16.350 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.755 -4.751 -15.309 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -10.853 -3.635 -17.494 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -9.570 -4.562 -18.247 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -10.326 -6.541 -18.883 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -11.373 -7.587 -17.917 1.00 25.00 H new ATOM 384 N HIS B 5 -9.122 -3.110 -13.381 1.00 25.00 N ATOM 385 CA HIS B 5 -8.464 -3.161 -12.081 1.00 25.00 C ATOM 386 C HIS B 5 -7.496 -4.333 -12.230 1.00 25.00 C ATOM 387 O HIS B 5 -7.796 -5.273 -12.932 1.00 25.00 O ATOM 388 CB HIS B 5 -9.454 -3.438 -10.935 1.00 25.00 C ATOM 389 CG HIS B 5 -10.455 -2.339 -10.753 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.189 -1.159 -10.089 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.767 -2.232 -11.146 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.272 -0.393 -10.092 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.234 -1.022 -10.707 1.00 25.00 N ATOM 0 H HIS B 5 -10.090 -3.431 -13.397 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.986 -2.215 -11.827 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.979 -4.372 -11.133 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.899 -3.575 -10.007 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.296 -0.913 -9.661 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.329 -2.969 -11.701 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.345 0.592 -9.656 1.00 25.00 H new ATOM 402 N LEU B 6 -6.352 -4.302 -11.555 1.00 25.00 N ATOM 403 CA LEU B 6 -5.415 -5.392 -11.613 1.00 25.00 C ATOM 404 C LEU B 6 -5.104 -5.786 -10.185 1.00 25.00 C ATOM 405 O LEU B 6 -4.630 -4.957 -9.428 1.00 25.00 O ATOM 406 CB LEU B 6 -4.115 -4.997 -12.345 1.00 25.00 C ATOM 407 CG LEU B 6 -4.348 -4.543 -13.794 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.062 -4.058 -14.397 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.900 -5.661 -14.659 1.00 25.00 C ATOM 0 H LEU B 6 -6.060 -3.525 -10.962 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.851 -6.220 -12.173 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.626 -4.194 -11.794 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.432 -5.847 -12.343 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.081 -3.737 -13.762 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.239 -3.739 -15.424 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.682 -3.217 -13.816 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.329 -4.865 -14.389 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.049 -5.295 -15.675 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.195 -6.492 -14.673 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.853 -6.000 -14.252 1.00 25.00 H new ATOM 421 N CYS B 7 -5.388 -7.035 -9.809 1.00 25.00 N ATOM 422 CA CYS B 7 -5.098 -7.528 -8.482 1.00 25.00 C ATOM 423 C CYS B 7 -4.251 -8.778 -8.566 1.00 25.00 C ATOM 424 O CYS B 7 -4.241 -9.420 -9.603 1.00 25.00 O ATOM 425 CB CYS B 7 -6.409 -7.878 -7.743 1.00 25.00 C ATOM 426 SG CYS B 7 -7.756 -6.614 -7.783 1.00 25.00 S ATOM 0 H CYS B 7 -5.824 -7.723 -10.422 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.563 -6.749 -7.940 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.800 -8.803 -8.166 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.166 -8.082 -6.700 1.00 25.00 H new ATOM 431 N GLY B 8 -3.506 -9.076 -7.502 1.00 25.00 N ATOM 432 CA GLY B 8 -2.689 -10.277 -7.470 1.00 25.00 C ATOM 433 C GLY B 8 -1.708 -10.379 -8.639 1.00 25.00 C ATOM 434 O GLY B 8 -1.197 -9.409 -9.116 1.00 25.00 O ATOM 0 H GLY B 8 -3.455 -8.504 -6.659 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -2.131 -10.302 -6.534 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.341 -11.151 -7.476 1.00 25.00 H new ATOM 438 N SER B 9 -1.598 -11.579 -9.210 1.00 25.00 N ATOM 439 CA SER B 9 -0.835 -11.847 -10.427 1.00 25.00 C ATOM 440 C SER B 9 -1.259 -11.115 -11.700 1.00 25.00 C ATOM 441 O SER B 9 -0.553 -11.143 -12.688 1.00 25.00 O ATOM 442 CB SER B 9 -0.921 -13.344 -10.668 1.00 25.00 C ATOM 443 OG SER B 9 -0.659 -14.037 -9.445 1.00 25.00 O ATOM 0 H SER B 9 -2.048 -12.411 -8.829 1.00 25.00 H new ATOM 0 HA SER B 9 0.170 -11.468 -10.241 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.910 -13.607 -11.043 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.201 -13.643 -11.430 1.00 25.00 H new ATOM 0 HG SER B 9 -0.716 -15.003 -9.598 1.00 25.00 H new ATOM 449 N HIS B 10 -2.395 -10.416 -11.703 1.00 25.00 N ATOM 450 CA HIS B 10 -2.777 -9.710 -12.925 1.00 25.00 C ATOM 451 C HIS B 10 -1.771 -8.581 -13.183 1.00 25.00 C ATOM 452 O HIS B 10 -1.615 -8.160 -14.325 1.00 25.00 O ATOM 453 CB HIS B 10 -4.199 -9.123 -12.850 1.00 25.00 C ATOM 454 CG HIS B 10 -5.232 -9.898 -13.644 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.207 -9.283 -14.470 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.465 -11.228 -13.788 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.931 -10.240 -15.034 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.483 -11.411 -14.656 1.00 25.00 N ATOM 0 H HIS B 10 -3.038 -10.325 -10.916 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.770 -10.433 -13.741 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.511 -9.087 -11.806 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.175 -8.095 -13.211 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.922 -12.016 -13.287 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.763 -10.078 -15.703 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -6.844 -12.313 -14.966 1.00 25.00 H new ATOM 467 N LEU B 11 -1.110 -8.066 -12.137 1.00 25.00 N ATOM 468 CA LEU B 11 -0.207 -6.966 -12.326 1.00 25.00 C ATOM 469 C LEU B 11 1.027 -7.397 -13.050 1.00 25.00 C ATOM 470 O LEU B 11 1.400 -6.759 -14.033 1.00 25.00 O ATOM 471 CB LEU B 11 0.192 -6.380 -10.973 1.00 25.00 C ATOM 472 CG LEU B 11 -0.582 -5.184 -10.421 1.00 25.00 C ATOM 473 CD1 LEU B 11 -1.555 -5.513 -9.348 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.515 -4.174 -9.912 1.00 25.00 C ATOM 0 H LEU B 11 -1.193 -8.398 -11.176 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.721 -6.213 -12.924 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.127 -7.181 -10.237 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.241 -6.091 -11.037 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.211 -4.767 -11.207 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -2.056 -4.602 -9.019 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.295 -6.216 -9.731 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.029 -5.962 -8.505 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.031 -3.288 -9.501 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.117 -4.650 -9.138 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.157 -3.884 -10.744 1.00 25.00 H new ATOM 486 N VAL B 12 1.666 -8.464 -12.571 1.00 25.00 N ATOM 487 CA VAL B 12 2.890 -8.970 -13.206 1.00 25.00 C ATOM 488 C VAL B 12 2.591 -9.283 -14.653 1.00 25.00 C ATOM 489 O VAL B 12 3.418 -8.983 -15.469 1.00 25.00 O ATOM 490 CB VAL B 12 3.491 -10.213 -12.445 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.457 -11.279 -12.109 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.612 -10.896 -13.242 1.00 25.00 C ATOM 0 H VAL B 12 1.363 -8.993 -11.753 1.00 25.00 H new ATOM 0 HA VAL B 12 3.659 -8.199 -13.155 1.00 25.00 H new ATOM 0 HB VAL B 12 3.882 -9.791 -11.520 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.941 -12.104 -11.587 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.685 -10.849 -11.471 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.003 -11.649 -13.029 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.994 -11.746 -12.677 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.220 -11.243 -14.198 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.419 -10.185 -13.417 1.00 25.00 H new ATOM 502 N GLU B 13 1.449 -9.876 -14.955 1.00 25.00 N ATOM 503 CA GLU B 13 1.113 -10.200 -16.338 1.00 25.00 C ATOM 504 C GLU B 13 1.061 -8.942 -17.197 1.00 25.00 C ATOM 505 O GLU B 13 1.670 -8.859 -18.254 1.00 25.00 O ATOM 506 CB GLU B 13 -0.203 -10.940 -16.439 1.00 25.00 C ATOM 507 CG GLU B 13 -0.128 -12.492 -16.316 1.00 25.00 C ATOM 508 CD GLU B 13 -1.469 -13.136 -16.444 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.401 -12.883 -15.721 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.552 -13.981 -17.442 1.00 25.00 O ATOM 0 H GLU B 13 0.741 -10.143 -14.270 1.00 25.00 H new ATOM 0 HA GLU B 13 1.902 -10.854 -16.709 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.868 -10.566 -15.660 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.663 -10.693 -17.396 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.536 -12.884 -17.087 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.310 -12.757 -15.354 1.00 25.00 H new ATOM 518 N ALA B 14 0.321 -7.948 -16.742 1.00 25.00 N ATOM 519 CA ALA B 14 0.148 -6.704 -17.496 1.00 25.00 C ATOM 520 C ALA B 14 1.497 -6.026 -17.719 1.00 25.00 C ATOM 521 O ALA B 14 1.781 -5.499 -18.780 1.00 25.00 O ATOM 522 CB ALA B 14 -0.793 -5.781 -16.726 1.00 25.00 C ATOM 0 H ALA B 14 -0.175 -7.971 -15.851 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.283 -6.927 -18.472 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.927 -4.853 -17.281 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.759 -6.270 -16.599 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.366 -5.560 -15.748 1.00 25.00 H new ATOM 528 N LEU B 15 2.315 -6.034 -16.675 1.00 25.00 N ATOM 529 CA LEU B 15 3.618 -5.340 -16.690 1.00 25.00 C ATOM 530 C LEU B 15 4.617 -6.041 -17.608 1.00 25.00 C ATOM 531 O LEU B 15 5.382 -5.357 -18.310 1.00 25.00 O ATOM 532 CB LEU B 15 4.200 -5.231 -15.277 1.00 25.00 C ATOM 533 CG LEU B 15 3.350 -4.291 -14.430 1.00 25.00 C ATOM 534 CD1 LEU B 15 3.781 -4.391 -12.951 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.440 -2.849 -14.915 1.00 25.00 C ATOM 0 H LEU B 15 2.108 -6.513 -15.798 1.00 25.00 H new ATOM 0 HA LEU B 15 3.441 -4.337 -17.077 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.237 -6.217 -14.814 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.225 -4.863 -15.325 1.00 25.00 H new ATOM 0 HG LEU B 15 2.309 -4.599 -14.528 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.172 -3.718 -12.348 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.646 -5.414 -12.601 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.830 -4.111 -12.858 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.819 -2.213 -14.284 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.475 -2.512 -14.863 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.090 -2.789 -15.946 1.00 25.00 H new ATOM 547 N TYR B 16 4.491 -7.343 -17.700 1.00 25.00 N ATOM 548 CA TYR B 16 5.304 -8.112 -18.621 1.00 25.00 C ATOM 549 C TYR B 16 4.907 -7.800 -20.052 1.00 25.00 C ATOM 550 O TYR B 16 5.761 -7.592 -20.920 1.00 25.00 O ATOM 551 CB TYR B 16 5.100 -9.608 -18.388 1.00 25.00 C ATOM 552 CG TYR B 16 5.616 -10.448 -19.505 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.999 -10.673 -19.677 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.712 -11.047 -20.424 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.505 -11.463 -20.752 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.214 -11.840 -21.498 1.00 25.00 C ATOM 557 CZ TYR B 16 6.604 -12.054 -21.627 1.00 25.00 C ATOM 558 OH TYR B 16 7.030 -12.845 -22.655 1.00 25.00 O ATOM 0 H TYR B 16 3.834 -7.896 -17.149 1.00 25.00 H new ATOM 0 HA TYR B 16 6.348 -7.847 -18.452 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.599 -9.897 -17.463 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.037 -9.807 -18.252 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.693 -10.235 -18.975 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.648 -10.902 -20.309 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.569 -11.599 -20.882 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.532 -12.277 -22.212 1.00 25.00 H new ATOM 0 HH TYR B 16 6.256 -13.171 -23.160 1.00 25.00 H new ATOM 568 N LEU B 17 3.624 -7.703 -20.283 1.00 25.00 N ATOM 569 CA LEU B 17 3.147 -7.420 -21.619 1.00 25.00 C ATOM 570 C LEU B 17 3.382 -5.961 -22.079 1.00 25.00 C ATOM 571 O LEU B 17 3.674 -5.707 -23.237 1.00 25.00 O ATOM 572 CB LEU B 17 1.616 -7.714 -21.683 1.00 25.00 C ATOM 573 CG LEU B 17 1.105 -9.173 -21.845 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.377 -9.219 -21.585 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.362 -9.706 -23.262 1.00 25.00 C ATOM 0 H LEU B 17 2.896 -7.813 -19.577 1.00 25.00 H new ATOM 0 HA LEU B 17 3.720 -8.060 -22.290 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.172 -7.316 -20.770 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.211 -7.136 -22.513 1.00 25.00 H new ATOM 0 HG LEU B 17 1.645 -9.794 -21.130 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.735 -10.242 -21.699 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.579 -8.874 -20.571 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.891 -8.574 -22.297 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.992 -10.728 -23.339 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.844 -9.077 -23.987 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.432 -9.691 -23.468 1.00 25.00 H new ATOM 587 N VAL B 18 3.291 -5.022 -21.169 1.00 25.00 N ATOM 588 CA VAL B 18 3.473 -3.601 -21.518 1.00 25.00 C ATOM 589 C VAL B 18 4.917 -3.173 -21.648 1.00 25.00 C ATOM 590 O VAL B 18 5.246 -2.256 -22.396 1.00 25.00 O ATOM 591 CB VAL B 18 2.737 -2.644 -20.465 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.555 -2.337 -19.217 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.315 -1.312 -21.150 1.00 25.00 C ATOM 0 H VAL B 18 3.094 -5.196 -20.183 1.00 25.00 H new ATOM 0 HA VAL B 18 3.019 -3.500 -22.504 1.00 25.00 H new ATOM 0 HB VAL B 18 1.861 -3.200 -20.129 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.983 -1.684 -18.558 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.786 -3.266 -18.696 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.483 -1.841 -19.503 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.816 -0.671 -20.423 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.200 -0.804 -21.534 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.633 -1.526 -21.973 1.00 25.00 H new ATOM 603 N CYS B 19 5.783 -3.756 -20.847 1.00 25.00 N ATOM 604 CA CYS B 19 7.182 -3.306 -20.852 1.00 25.00 C ATOM 605 C CYS B 19 8.000 -4.134 -21.828 1.00 25.00 C ATOM 606 O CYS B 19 8.874 -3.652 -22.540 1.00 25.00 O ATOM 607 CB CYS B 19 7.823 -3.398 -19.454 1.00 25.00 C ATOM 608 SG CYS B 19 9.041 -2.102 -19.138 1.00 25.00 S ATOM 0 H CYS B 19 5.568 -4.516 -20.202 1.00 25.00 H new ATOM 0 HA CYS B 19 7.179 -2.260 -21.160 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.039 -3.342 -18.698 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.302 -4.371 -19.345 1.00 25.00 H new ATOM 613 N GLY B 20 7.609 -5.416 -21.916 1.00 25.00 N ATOM 614 CA GLY B 20 8.190 -6.327 -22.871 1.00 25.00 C ATOM 615 C GLY B 20 8.983 -7.475 -22.289 1.00 25.00 C ATOM 616 O GLY B 20 8.464 -8.565 -22.133 1.00 25.00 O ATOM 0 H GLY B 20 6.888 -5.831 -21.326 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.389 -6.738 -23.486 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.842 -5.760 -23.535 1.00 25.00 H new ATOM 620 N GLU B 21 10.261 -7.222 -22.016 1.00 25.00 N ATOM 621 CA GLU B 21 11.145 -8.284 -21.499 1.00 25.00 C ATOM 622 C GLU B 21 11.971 -7.857 -20.256 1.00 25.00 C ATOM 623 O GLU B 21 12.485 -8.685 -19.530 1.00 25.00 O ATOM 624 CB GLU B 21 12.121 -8.758 -22.605 1.00 25.00 C ATOM 625 CG GLU B 21 11.487 -9.470 -23.870 1.00 25.00 C ATOM 626 CD GLU B 21 12.533 -9.860 -24.900 1.00 25.00 C ATOM 627 OE1 GLU B 21 13.492 -10.523 -24.625 1.00 25.00 O ATOM 628 OE2 GLU B 21 12.350 -9.322 -26.062 1.00 25.00 O ATOM 0 H GLU B 21 10.708 -6.313 -22.138 1.00 25.00 H new ATOM 0 HA GLU B 21 10.484 -9.093 -21.189 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.686 -7.892 -22.952 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.836 -9.445 -22.153 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.947 -10.361 -23.549 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.758 -8.804 -24.331 1.00 25.00 H new ATOM 636 N ARG B 22 12.136 -6.535 -20.033 1.00 25.00 N ATOM 637 CA ARG B 22 12.986 -6.124 -18.905 1.00 25.00 C ATOM 638 C ARG B 22 12.402 -6.482 -17.555 1.00 25.00 C ATOM 639 O ARG B 22 13.106 -6.550 -16.574 1.00 25.00 O ATOM 640 CB ARG B 22 13.261 -4.606 -18.909 1.00 25.00 C ATOM 641 CG ARG B 22 14.249 -4.195 -19.996 1.00 25.00 C ATOM 642 CD ARG B 22 14.739 -2.808 -19.856 1.00 25.00 C ATOM 643 NE ARG B 22 15.562 -2.632 -18.629 1.00 25.00 N ATOM 644 CZ ARG B 22 16.762 -2.067 -18.585 1.00 25.00 C ATOM 645 NH1 ARG B 22 17.367 -1.565 -19.654 1.00 25.00 N ATOM 646 NH2 ARG B 22 17.369 -1.990 -17.450 1.00 25.00 N ATOM 0 H ARG B 22 11.721 -5.781 -20.581 1.00 25.00 H new ATOM 0 HA ARG B 22 13.914 -6.677 -19.050 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.323 -4.070 -19.054 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.651 -4.308 -17.936 1.00 25.00 H new ATOM 0 HG2 ARG B 22 15.100 -4.876 -19.978 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.772 -4.307 -20.970 1.00 25.00 H new ATOM 0 HD2 ARG B 22 15.331 -2.542 -20.732 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.891 -2.124 -19.825 1.00 25.00 H new ATOM 0 HE ARG B 22 15.172 -2.973 -17.750 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.909 -1.603 -20.564 1.00 25.00 H new ATOM 0 HH12 ARG B 22 18.290 -1.141 -19.565 1.00 25.00 H new ATOM 0 HH21 ARG B 22 16.926 -2.359 -16.609 1.00 25.00 H new ATOM 0 HH22 ARG B 22 18.292 -1.560 -17.393 1.00 25.00 H new ATOM 660 N GLY B 23 11.082 -6.654 -17.497 1.00 25.00 N ATOM 661 CA GLY B 23 10.449 -6.896 -16.217 1.00 25.00 C ATOM 662 C GLY B 23 10.281 -5.554 -15.570 1.00 25.00 C ATOM 663 O GLY B 23 10.404 -4.519 -16.236 1.00 25.00 O ATOM 0 H GLY B 23 10.452 -6.630 -18.299 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.485 -7.388 -16.347 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.061 -7.552 -15.598 1.00 25.00 H new ATOM 667 N PHE B 24 9.987 -5.542 -14.288 1.00 25.00 N ATOM 668 CA PHE B 24 9.756 -4.333 -13.506 1.00 25.00 C ATOM 669 C PHE B 24 10.263 -4.549 -12.084 1.00 25.00 C ATOM 670 O PHE B 24 10.452 -5.685 -11.675 1.00 25.00 O ATOM 671 CB PHE B 24 8.261 -4.041 -13.444 1.00 25.00 C ATOM 672 CG PHE B 24 7.466 -5.121 -12.798 1.00 25.00 C ATOM 673 CD1 PHE B 24 6.992 -6.184 -13.565 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.162 -5.076 -11.405 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.254 -7.274 -12.969 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.410 -6.119 -10.807 1.00 25.00 C ATOM 677 CZ PHE B 24 5.990 -7.232 -11.582 1.00 25.00 C ATOM 0 H PHE B 24 9.898 -6.397 -13.738 1.00 25.00 H new ATOM 0 HA PHE B 24 10.280 -3.499 -13.973 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.104 -3.111 -12.898 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.888 -3.884 -14.456 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.181 -6.193 -14.628 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.505 -4.246 -10.805 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.912 -8.103 -13.571 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.156 -6.067 -9.759 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.467 -8.050 -11.109 1.00 25.00 H new ATOM 687 N PHE B 25 10.460 -3.467 -11.333 1.00 25.00 N ATOM 688 CA PHE B 25 10.909 -3.582 -9.950 1.00 25.00 C ATOM 689 C PHE B 25 9.806 -4.084 -9.067 1.00 25.00 C ATOM 690 O PHE B 25 8.972 -3.298 -8.616 1.00 25.00 O ATOM 691 CB PHE B 25 11.456 -2.247 -9.437 1.00 25.00 C ATOM 692 CG PHE B 25 12.218 -2.336 -8.141 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.578 -2.644 -8.144 1.00 25.00 C ATOM 694 CD2 PHE B 25 11.559 -2.165 -6.886 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.299 -2.751 -6.959 1.00 25.00 C ATOM 696 CE2 PHE B 25 12.318 -2.252 -5.661 1.00 25.00 C ATOM 697 CZ PHE B 25 13.675 -2.545 -5.701 1.00 25.00 C ATOM 0 H PHE B 25 10.317 -2.510 -11.656 1.00 25.00 H new ATOM 0 HA PHE B 25 11.720 -4.310 -9.921 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.109 -1.821 -10.198 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.624 -1.555 -9.307 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.082 -2.803 -9.086 1.00 25.00 H new ATOM 0 HD2 PHE B 25 10.497 -1.971 -6.853 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.350 -2.995 -6.997 1.00 25.00 H new ATOM 0 HE2 PHE B 25 11.830 -2.089 -4.712 1.00 25.00 H new ATOM 0 HZ PHE B 25 14.247 -2.615 -4.788 1.00 25.00 H new HETATM 707 N NVA B 26 9.849 -5.395 -8.738 1.00 25.00 N HETATM 708 CA NVA B 26 8.905 -6.159 -7.877 1.00 25.00 C HETATM 709 CB NVA B 26 8.632 -7.526 -8.499 1.00 25.00 C HETATM 710 CG NVA B 26 9.902 -8.474 -8.514 1.00 25.00 C HETATM 711 CD NVA B 26 9.508 -10.016 -8.670 1.00 25.00 C HETATM 712 C NVA B 26 9.280 -6.342 -6.356 1.00 25.00 C HETATM 713 O NVA B 26 8.565 -6.915 -5.544 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.559 -8.185 -9.334 1.00 25.00 H new HETATM 0 HG2 NVA B 26 10.466 -8.337 -7.591 1.00 25.00 H new HETATM 0 HD2 NVA B 26 8.969 -10.161 -9.606 1.00 25.00 H new HETATM 0 HB3 NVA B 26 7.829 -8.015 -7.947 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.278 -7.388 -9.521 1.00 25.00 H new HETATM 0 HA NVA B 26 8.020 -5.523 -7.850 1.00 25.00 H new HETATM 0 H NVA B 26 10.205 -5.811 -9.598 1.00 25.00 H new ATOM 722 N THR B 27 10.486 -5.782 -6.034 1.00 25.00 N ATOM 723 CA THR B 27 11.225 -5.818 -4.727 1.00 25.00 C ATOM 724 C THR B 27 11.885 -7.215 -4.633 1.00 25.00 C ATOM 725 O THR B 27 11.569 -8.099 -5.368 1.00 25.00 O ATOM 726 CB THR B 27 10.325 -5.418 -3.478 1.00 25.00 C ATOM 727 OG1 THR B 27 9.514 -6.545 -3.058 1.00 25.00 O ATOM 728 CG2 THR B 27 9.401 -4.229 -3.784 1.00 25.00 C ATOM 0 H THR B 27 11.008 -5.253 -6.733 1.00 25.00 H new ATOM 0 HA THR B 27 11.998 -5.050 -4.697 1.00 25.00 H new ATOM 0 HB THR B 27 11.008 -5.126 -2.680 1.00 25.00 H new ATOM 0 HG1 THR B 27 8.928 -6.819 -3.794 1.00 25.00 H new ATOM 0 HG21 THR B 27 8.807 -3.993 -2.901 1.00 25.00 H new ATOM 0 HG22 THR B 27 10.002 -3.362 -4.059 1.00 25.00 H new ATOM 0 HG23 THR B 27 8.738 -4.487 -4.610 1.00 25.00 H new ATOM 736 N PRO B 28 12.916 -7.369 -3.795 1.00 25.00 N ATOM 737 CA PRO B 28 13.530 -8.721 -3.843 1.00 25.00 C ATOM 738 C PRO B 28 12.658 -9.849 -3.230 1.00 25.00 C ATOM 739 O PRO B 28 12.309 -9.827 -2.059 1.00 25.00 O ATOM 740 CB PRO B 28 14.863 -8.537 -3.110 1.00 25.00 C ATOM 741 CG PRO B 28 14.573 -7.449 -2.115 1.00 25.00 C ATOM 742 CD PRO B 28 13.643 -6.487 -2.885 1.00 25.00 C ATOM 0 HA PRO B 28 13.649 -9.065 -4.870 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.180 -9.456 -2.618 1.00 25.00 H new ATOM 0 HB3 PRO B 28 15.661 -8.251 -3.795 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.090 -7.843 -1.221 1.00 25.00 H new ATOM 0 HG3 PRO B 28 15.486 -6.949 -1.791 1.00 25.00 H new ATOM 0 HD2 PRO B 28 12.967 -5.959 -2.213 1.00 25.00 H new ATOM 0 HD3 PRO B 28 14.209 -5.730 -3.427 1.00 25.00 H new HETATM 750 N HIX B 29 12.429 -10.897 -4.063 1.00 25.00 N HETATM 751 CA HIX B 29 11.787 -12.215 -3.710 1.00 25.00 C HETATM 752 C HIX B 29 12.775 -13.073 -2.857 1.00 25.00 C HETATM 753 O HIX B 29 13.581 -13.821 -3.361 1.00 25.00 O HETATM 754 CB HIX B 29 11.400 -12.998 -5.052 1.00 25.00 C HETATM 755 CG HIX B 29 10.505 -12.181 -5.933 1.00 25.00 C HETATM 756 CD2 HIX B 29 10.872 -11.461 -7.077 1.00 25.00 C HETATM 757 ND1 HIX B 29 9.181 -11.916 -5.794 1.00 25.00 N HETATM 758 NE1 HIX B 29 8.583 -11.097 -6.735 1.00 25.00 N HETATM 759 NE2 HIX B 29 9.738 -10.885 -7.498 1.00 25.00 N ATOM 766 N THR B 30 12.707 -12.893 -1.514 1.00 25.00 N ATOM 767 CA THR B 30 13.542 -13.593 -0.476 1.00 25.00 C ATOM 768 C THR B 30 15.038 -13.420 -0.747 1.00 25.00 C ATOM 769 O THR B 30 15.816 -14.240 -1.191 1.00 25.00 O ATOM 770 CB THR B 30 13.183 -15.090 -0.331 1.00 25.00 C ATOM 771 OG1 THR B 30 11.814 -15.086 -0.364 1.00 25.00 O ATOM 772 CG2 THR B 30 13.687 -15.693 0.998 1.00 25.00 C ATOM 773 OXT THR B 30 15.504 -12.324 -0.233 1.00 25.00 O ATOM 0 H THR B 30 12.049 -12.235 -1.097 1.00 25.00 H new ATOM 0 HA THR B 30 13.308 -13.114 0.474 1.00 25.00 H new ATOM 0 HB THR B 30 13.645 -15.698 -1.109 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.482 -16.004 -0.279 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.408 -16.746 1.049 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.772 -15.602 1.051 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.237 -15.158 1.834 1.00 25.00 H new TER 782 THR B 30