USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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 NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0.00497 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.01 X(o=0.015,f=-0.016) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.223 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 8 THR OG1 : rot 79:sc= 0.347 USER MOD Single : A 9 SER OG : rot 180:sc=0.000139 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0489 USER MOD Single : A 21 ASN : amide:sc=-0.00832 X(o=-0.0083,f=-0.14) USER MOD Single : B 1 PHE N :NH3+ -101:sc= 0.0908 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : B 5 HIS : no HD1:sc= -0.0583 K(o=-0.058,f=-1.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0343 USER MOD Single : B 10 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.43) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.239 0.879 -1.015 1.00 25.00 N ATOM 2 CA GLY A 1 0.719 -0.429 -1.520 1.00 25.00 C ATOM 3 C GLY A 1 0.363 -0.574 -2.973 1.00 25.00 C ATOM 4 O GLY A 1 -0.461 0.221 -3.390 1.00 25.00 O ATOM 0 H1 GLY A 1 1.054 1.475 -0.765 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.322 1.351 -1.753 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.353 0.730 -0.173 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.799 -0.505 -1.391 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.271 -1.239 -0.944 1.00 25.00 H new ATOM 10 N ILE A 2 0.937 -1.487 -3.735 1.00 25.00 N ATOM 11 CA ILE A 2 0.585 -1.614 -5.173 1.00 25.00 C ATOM 12 C ILE A 2 0.403 -3.063 -5.614 1.00 25.00 C ATOM 13 O ILE A 2 -0.521 -3.358 -6.348 1.00 25.00 O ATOM 14 CB ILE A 2 1.664 -0.892 -6.077 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.198 -0.775 -7.545 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.028 -1.673 -6.026 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.100 0.075 -8.486 1.00 25.00 C ATOM 0 H ILE A 2 1.639 -2.150 -3.407 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.379 -1.122 -5.302 1.00 25.00 H new ATOM 0 HB ILE A 2 1.797 0.114 -5.680 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.120 -1.780 -7.961 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.195 -0.348 -7.553 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.762 -1.165 -6.652 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.390 -1.707 -4.998 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.879 -2.689 -6.392 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.673 0.085 -9.489 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.161 1.095 -8.108 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.099 -0.359 -8.522 1.00 25.00 H new ATOM 29 N VAL A 3 1.230 -3.990 -5.103 1.00 25.00 N ATOM 30 CA VAL A 3 1.081 -5.377 -5.482 1.00 25.00 C ATOM 31 C VAL A 3 -0.163 -6.006 -4.923 1.00 25.00 C ATOM 32 O VAL A 3 -0.873 -6.700 -5.666 1.00 25.00 O ATOM 33 CB VAL A 3 2.250 -6.230 -5.008 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.044 -7.716 -5.407 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.575 -5.762 -5.647 1.00 25.00 C ATOM 0 H VAL A 3 1.985 -3.798 -4.445 1.00 25.00 H new ATOM 0 HA VAL A 3 1.032 -5.355 -6.571 1.00 25.00 H new ATOM 0 HB VAL A 3 2.296 -6.126 -3.924 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.891 -8.307 -5.058 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.128 -8.091 -4.952 1.00 25.00 H new ATOM 0 HG13 VAL A 3 1.969 -7.794 -6.492 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.392 -6.389 -5.290 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.504 -5.841 -6.732 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.766 -4.725 -5.371 1.00 25.00 H new ATOM 45 N GLU A 4 -0.456 -5.752 -3.644 1.00 25.00 N ATOM 46 CA GLU A 4 -1.676 -6.275 -3.024 1.00 25.00 C ATOM 47 C GLU A 4 -2.905 -5.613 -3.671 1.00 25.00 C ATOM 48 O GLU A 4 -3.955 -6.270 -3.742 1.00 25.00 O ATOM 49 CB GLU A 4 -1.716 -6.020 -1.538 1.00 25.00 C ATOM 50 CG GLU A 4 -0.713 -6.773 -0.726 1.00 25.00 C ATOM 51 CD GLU A 4 -1.022 -6.673 0.772 1.00 25.00 C ATOM 52 OE1 GLU A 4 -1.555 -5.602 1.161 1.00 25.00 O ATOM 53 OE2 GLU A 4 -0.642 -7.595 1.556 1.00 25.00 O ATOM 0 H GLU A 4 0.129 -5.193 -3.023 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.684 -7.353 -3.184 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.569 -4.954 -1.366 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.712 -6.267 -1.172 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.708 -7.820 -1.030 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.285 -6.380 -0.921 1.00 25.00 H new ATOM 60 N GLN A 5 -2.794 -4.399 -4.168 1.00 25.00 N ATOM 61 CA GLN A 5 -3.893 -3.687 -4.868 1.00 25.00 C ATOM 62 C GLN A 5 -4.173 -4.352 -6.230 1.00 25.00 C ATOM 63 O GLN A 5 -5.304 -4.507 -6.604 1.00 25.00 O ATOM 64 CB GLN A 5 -3.569 -2.197 -5.099 1.00 25.00 C ATOM 65 CG GLN A 5 -3.565 -1.388 -3.861 1.00 25.00 C ATOM 66 CD GLN A 5 -3.566 0.135 -4.111 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.319 0.600 -5.211 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.825 0.910 -3.076 1.00 25.00 N ATOM 0 H GLN A 5 -1.934 -3.854 -4.107 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.771 -3.750 -4.226 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.593 -2.117 -5.577 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -4.299 -1.779 -5.792 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.439 -1.649 -3.265 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.687 -1.649 -3.270 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.029 0.495 -2.167 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.822 1.924 -3.185 1.00 25.00 H new ATOM 77 N CYS A 6 -3.132 -4.713 -6.969 1.00 25.00 N ATOM 78 CA CYS A 6 -3.332 -5.429 -8.228 1.00 25.00 C ATOM 79 C CYS A 6 -3.950 -6.827 -8.024 1.00 25.00 C ATOM 80 O CYS A 6 -4.833 -7.286 -8.720 1.00 25.00 O ATOM 81 CB CYS A 6 -1.970 -5.584 -8.892 1.00 25.00 C ATOM 82 SG CYS A 6 -1.986 -5.495 -10.720 1.00 25.00 S ATOM 0 H CYS A 6 -2.158 -4.528 -6.728 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.027 -4.857 -8.843 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.306 -4.808 -8.511 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.544 -6.542 -8.594 1.00 25.00 H new ATOM 87 N CYS A 7 -3.433 -7.537 -7.018 1.00 25.00 N ATOM 88 CA CYS A 7 -3.829 -8.926 -6.755 1.00 25.00 C ATOM 89 C CYS A 7 -5.294 -9.040 -6.345 1.00 25.00 C ATOM 90 O CYS A 7 -6.022 -9.827 -6.932 1.00 25.00 O ATOM 91 CB CYS A 7 -2.971 -9.485 -5.637 1.00 25.00 C ATOM 92 SG CYS A 7 -1.349 -10.124 -6.175 1.00 25.00 S ATOM 0 H CYS A 7 -2.736 -7.172 -6.369 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.690 -9.488 -7.679 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.811 -8.704 -4.894 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.518 -10.288 -5.143 1.00 25.00 H new ATOM 97 N THR A 8 -5.690 -8.345 -5.296 1.00 25.00 N ATOM 98 CA THR A 8 -7.029 -8.520 -4.769 1.00 25.00 C ATOM 99 C THR A 8 -8.054 -7.666 -5.571 1.00 25.00 C ATOM 100 O THR A 8 -9.066 -7.269 -5.007 1.00 25.00 O ATOM 101 CB THR A 8 -7.080 -8.164 -3.220 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.800 -8.409 -2.634 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.091 -9.016 -2.493 1.00 25.00 C ATOM 0 H THR A 8 -5.115 -7.665 -4.799 1.00 25.00 H new ATOM 0 HA THR A 8 -7.303 -9.569 -4.881 1.00 25.00 H new ATOM 0 HB THR A 8 -7.362 -7.115 -3.130 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.197 -7.666 -2.844 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.101 -8.747 -1.437 1.00 25.00 H new ATOM 0 HG22 THR A 8 -9.080 -8.850 -2.919 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.823 -10.067 -2.598 1.00 25.00 H new ATOM 111 N SER A 9 -7.771 -7.381 -6.855 1.00 25.00 N ATOM 112 CA SER A 9 -8.658 -6.622 -7.700 1.00 25.00 C ATOM 113 C SER A 9 -8.330 -6.969 -9.149 1.00 25.00 C ATOM 114 O SER A 9 -7.406 -7.738 -9.428 1.00 25.00 O ATOM 115 CB SER A 9 -8.486 -5.100 -7.473 1.00 25.00 C ATOM 116 OG SER A 9 -9.606 -4.372 -7.940 1.00 25.00 O ATOM 0 H SER A 9 -6.914 -7.680 -7.320 1.00 25.00 H new ATOM 0 HA SER A 9 -9.692 -6.873 -7.462 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.342 -4.904 -6.410 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.588 -4.755 -7.985 1.00 25.00 H new ATOM 0 HG SER A 9 -9.465 -3.416 -7.779 1.00 25.00 H new ATOM 122 N ILE A 10 -9.050 -6.335 -10.061 1.00 25.00 N ATOM 123 CA ILE A 10 -8.716 -6.361 -11.483 1.00 25.00 C ATOM 124 C ILE A 10 -7.373 -5.619 -11.668 1.00 25.00 C ATOM 125 O ILE A 10 -7.323 -4.422 -11.388 1.00 25.00 O ATOM 126 CB ILE A 10 -9.836 -5.654 -12.334 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.239 -6.317 -12.131 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.469 -5.632 -13.834 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.468 -7.702 -12.784 1.00 25.00 C ATOM 0 H ILE A 10 -9.882 -5.788 -9.840 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.639 -7.393 -11.824 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.899 -4.627 -11.974 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.414 -6.415 -11.060 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.995 -5.633 -12.516 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.262 -5.137 -14.395 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.534 -5.089 -13.972 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.352 -6.654 -14.195 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.479 -8.045 -12.565 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.338 -7.621 -13.863 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.748 -8.416 -12.384 1.00 25.00 H new ATOM 141 N CYS A 11 -6.318 -6.267 -12.131 1.00 25.00 N ATOM 142 CA CYS A 11 -5.056 -5.573 -12.391 1.00 25.00 C ATOM 143 C CYS A 11 -5.210 -4.558 -13.552 1.00 25.00 C ATOM 144 O CYS A 11 -5.907 -4.824 -14.512 1.00 25.00 O ATOM 145 CB CYS A 11 -3.951 -6.587 -12.733 1.00 25.00 C ATOM 146 SG CYS A 11 -2.995 -7.140 -11.273 1.00 25.00 S ATOM 0 H CYS A 11 -6.303 -7.266 -12.335 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.779 -5.029 -11.488 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.401 -7.456 -13.214 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.269 -6.140 -13.457 1.00 25.00 H new ATOM 151 N SER A 12 -4.542 -3.420 -13.494 1.00 25.00 N ATOM 152 CA SER A 12 -4.774 -2.372 -14.503 1.00 25.00 C ATOM 153 C SER A 12 -3.508 -2.181 -15.335 1.00 25.00 C ATOM 154 O SER A 12 -2.387 -2.150 -14.792 1.00 25.00 O ATOM 155 CB SER A 12 -5.167 -1.078 -13.779 1.00 25.00 C ATOM 156 OG SER A 12 -6.381 -1.267 -13.095 1.00 25.00 O ATOM 0 H SER A 12 -3.849 -3.189 -12.782 1.00 25.00 H new ATOM 0 HA SER A 12 -5.581 -2.656 -15.179 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.384 -0.791 -13.077 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.266 -0.264 -14.497 1.00 25.00 H new ATOM 0 HG SER A 12 -6.628 -0.439 -12.632 1.00 25.00 H new ATOM 162 N LEU A 13 -3.671 -2.014 -16.638 1.00 25.00 N ATOM 163 CA LEU A 13 -2.527 -1.906 -17.571 1.00 25.00 C ATOM 164 C LEU A 13 -1.544 -0.843 -17.105 1.00 25.00 C ATOM 165 O LEU A 13 -0.369 -1.082 -17.052 1.00 25.00 O ATOM 166 CB LEU A 13 -3.023 -1.482 -18.969 1.00 25.00 C ATOM 167 CG LEU A 13 -1.994 -1.294 -20.098 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.216 -2.494 -20.479 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.782 -0.808 -21.386 1.00 25.00 C ATOM 0 H LEU A 13 -4.584 -1.948 -17.089 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.042 -2.881 -17.604 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -3.745 -2.227 -19.302 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.563 -0.542 -18.856 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.265 -0.580 -19.715 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.525 -2.240 -21.283 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -0.654 -2.852 -19.617 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.896 -3.275 -20.819 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.081 -0.664 -22.209 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.521 -1.559 -21.666 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.286 0.134 -21.170 1.00 25.00 H new ATOM 181 N TYR A 14 -2.042 0.343 -16.756 1.00 25.00 N ATOM 182 CA TYR A 14 -1.163 1.468 -16.476 1.00 25.00 C ATOM 183 C TYR A 14 -0.450 1.287 -15.140 1.00 25.00 C ATOM 184 O TYR A 14 0.665 1.757 -14.995 1.00 25.00 O ATOM 185 CB TYR A 14 -1.951 2.812 -16.512 1.00 25.00 C ATOM 186 CG TYR A 14 -3.015 2.988 -15.437 1.00 25.00 C ATOM 187 CD1 TYR A 14 -4.315 2.466 -15.633 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.724 3.616 -14.197 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.309 2.563 -14.607 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.705 3.761 -13.186 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.001 3.199 -13.402 1.00 25.00 C ATOM 192 OH TYR A 14 -5.958 3.255 -12.425 1.00 25.00 O ATOM 0 H TYR A 14 -3.038 0.544 -16.662 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.403 1.503 -17.257 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.237 3.632 -16.427 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.429 2.905 -17.487 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -4.561 1.988 -16.569 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.728 3.993 -14.020 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -6.293 2.146 -14.764 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.478 4.286 -12.270 1.00 25.00 H new ATOM 0 HH TYR A 14 -5.601 3.726 -11.644 1.00 25.00 H new ATOM 202 N GLN A 15 -1.063 0.555 -14.241 1.00 25.00 N ATOM 203 CA GLN A 15 -0.440 0.276 -12.962 1.00 25.00 C ATOM 204 C GLN A 15 0.651 -0.759 -13.160 1.00 25.00 C ATOM 205 O GLN A 15 1.668 -0.655 -12.553 1.00 25.00 O ATOM 206 CB GLN A 15 -1.433 -0.172 -11.867 1.00 25.00 C ATOM 207 CG GLN A 15 -2.559 0.876 -11.544 1.00 25.00 C ATOM 208 CD GLN A 15 -3.565 0.389 -10.496 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.230 -0.262 -9.513 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.822 0.714 -10.696 1.00 25.00 N ATOM 0 H GLN A 15 -1.987 0.142 -14.366 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.016 1.212 -12.597 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.901 -1.106 -12.178 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.877 -0.383 -10.954 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.096 1.798 -11.191 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.093 1.119 -12.463 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -5.084 1.256 -11.519 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.536 0.424 -10.028 1.00 25.00 H new ATOM 219 N LEU A 16 0.449 -1.751 -14.047 1.00 25.00 N ATOM 220 CA LEU A 16 1.492 -2.709 -14.390 1.00 25.00 C ATOM 221 C LEU A 16 2.658 -1.945 -15.088 1.00 25.00 C ATOM 222 O LEU A 16 3.794 -2.185 -14.772 1.00 25.00 O ATOM 223 CB LEU A 16 0.974 -3.788 -15.310 1.00 25.00 C ATOM 224 CG LEU A 16 -0.024 -4.735 -14.637 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.762 -5.567 -15.672 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.607 -5.623 -13.641 1.00 25.00 C ATOM 0 H LEU A 16 -0.434 -1.902 -14.535 1.00 25.00 H new ATOM 0 HA LEU A 16 1.838 -3.191 -13.475 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.496 -3.322 -16.172 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.816 -4.368 -15.687 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.733 -4.101 -14.104 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.465 -6.232 -15.170 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.306 -4.908 -16.348 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.045 -6.159 -16.241 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.151 -6.270 -13.199 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.367 -6.234 -14.128 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.071 -5.021 -12.860 1.00 25.00 H new ATOM 238 N GLU A 17 2.367 -1.002 -15.964 1.00 25.00 N ATOM 239 CA GLU A 17 3.432 -0.210 -16.528 1.00 25.00 C ATOM 240 C GLU A 17 4.131 0.604 -15.471 1.00 25.00 C ATOM 241 O GLU A 17 5.334 0.771 -15.546 1.00 25.00 O ATOM 242 CB GLU A 17 2.974 0.735 -17.639 1.00 25.00 C ATOM 243 CG GLU A 17 2.553 -0.041 -18.927 1.00 25.00 C ATOM 244 CD GLU A 17 2.271 0.897 -20.061 1.00 25.00 C ATOM 245 OE1 GLU A 17 1.564 1.909 -19.837 1.00 25.00 O ATOM 246 OE2 GLU A 17 2.653 0.544 -21.201 1.00 25.00 O ATOM 0 H GLU A 17 1.428 -0.773 -16.291 1.00 25.00 H new ATOM 0 HA GLU A 17 4.117 -0.937 -16.965 1.00 25.00 H new ATOM 0 HB2 GLU A 17 2.134 1.332 -17.284 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.779 1.429 -17.880 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.346 -0.732 -19.213 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.667 -0.641 -18.719 1.00 25.00 H new ATOM 253 N ASN A 18 3.454 0.995 -14.431 1.00 25.00 N ATOM 254 CA ASN A 18 4.103 1.747 -13.375 1.00 25.00 C ATOM 255 C ASN A 18 5.288 1.001 -12.682 1.00 25.00 C ATOM 256 O ASN A 18 6.151 1.602 -12.039 1.00 25.00 O ATOM 257 CB ASN A 18 3.038 2.147 -12.345 1.00 25.00 C ATOM 258 CG ASN A 18 3.214 3.544 -11.856 1.00 25.00 C ATOM 259 OD1 ASN A 18 2.853 4.498 -12.516 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.787 3.702 -10.696 1.00 25.00 N ATOM 0 H ASN A 18 2.461 0.812 -14.283 1.00 25.00 H new ATOM 0 HA ASN A 18 4.559 2.623 -13.835 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.049 2.043 -12.791 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.080 1.461 -11.499 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.940 4.640 -10.326 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.082 2.887 -10.158 1.00 25.00 H new ATOM 267 N TYR A 19 5.294 -0.344 -12.775 1.00 25.00 N ATOM 268 CA TYR A 19 6.443 -1.105 -12.263 1.00 25.00 C ATOM 269 C TYR A 19 7.642 -1.054 -13.161 1.00 25.00 C ATOM 270 O TYR A 19 8.746 -1.291 -12.725 1.00 25.00 O ATOM 271 CB TYR A 19 6.111 -2.569 -12.176 1.00 25.00 C ATOM 272 CG TYR A 19 5.058 -2.946 -11.112 1.00 25.00 C ATOM 273 CD1 TYR A 19 5.401 -3.145 -9.723 1.00 25.00 C ATOM 274 CD2 TYR A 19 3.699 -3.104 -11.501 1.00 25.00 C ATOM 275 CE1 TYR A 19 4.476 -3.562 -8.810 1.00 25.00 C ATOM 276 CE2 TYR A 19 2.750 -3.521 -10.596 1.00 25.00 C ATOM 277 CZ TYR A 19 3.152 -3.763 -9.291 1.00 25.00 C ATOM 278 OH TYR A 19 2.193 -4.146 -8.418 1.00 25.00 O ATOM 0 H TYR A 19 4.546 -0.905 -13.184 1.00 25.00 H new ATOM 0 HA TYR A 19 6.662 -0.647 -11.298 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.754 -2.902 -13.150 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.028 -3.121 -11.967 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.414 -2.959 -9.399 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.408 -2.894 -12.520 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.736 -3.731 -7.775 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.721 -3.656 -10.894 1.00 25.00 H new ATOM 0 HH TYR A 19 1.340 -4.243 -8.891 1.00 25.00 H new ATOM 288 N CYS A 20 7.404 -0.864 -14.451 1.00 25.00 N ATOM 289 CA CYS A 20 8.449 -0.889 -15.445 1.00 25.00 C ATOM 290 C CYS A 20 9.143 0.451 -15.515 1.00 25.00 C ATOM 291 O CYS A 20 8.635 1.486 -15.093 1.00 25.00 O ATOM 292 CB CYS A 20 7.842 -1.236 -16.846 1.00 25.00 C ATOM 293 SG CYS A 20 6.962 -2.829 -16.798 1.00 25.00 S ATOM 0 H CYS A 20 6.474 -0.688 -14.832 1.00 25.00 H new ATOM 0 HA CYS A 20 9.177 -1.650 -15.164 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.157 -0.447 -17.155 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.637 -1.278 -17.591 1.00 25.00 H new ATOM 298 N ASN A 21 10.380 0.411 -16.004 1.00 25.00 N ATOM 299 CA ASN A 21 11.201 1.586 -16.097 1.00 25.00 C ATOM 300 C ASN A 21 10.762 2.352 -17.339 1.00 25.00 C ATOM 301 O ASN A 21 10.965 3.595 -17.341 1.00 25.00 O ATOM 302 CB ASN A 21 12.656 1.161 -16.270 1.00 25.00 C ATOM 303 CG ASN A 21 13.123 0.331 -15.140 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.919 0.676 -13.993 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.741 -0.756 -15.427 1.00 25.00 N ATOM 306 OXT ASN A 21 10.395 1.673 -18.335 1.00 25.00 O ATOM 0 H ASN A 21 10.828 -0.440 -16.342 1.00 25.00 H new ATOM 0 HA ASN A 21 11.104 2.201 -15.202 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.764 0.603 -17.200 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.286 2.047 -16.355 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.079 -1.363 -14.680 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.894 -1.013 -16.402 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.324 -7.201 -22.861 1.00 25.00 N ATOM 315 CA PHE B 1 -2.766 -7.487 -21.467 1.00 25.00 C ATOM 316 C PHE B 1 -4.228 -7.828 -21.416 1.00 25.00 C ATOM 317 O PHE B 1 -4.938 -7.415 -22.299 1.00 25.00 O ATOM 318 CB PHE B 1 -2.498 -6.290 -20.573 1.00 25.00 C ATOM 319 CG PHE B 1 -2.938 -6.482 -19.183 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.304 -7.480 -18.396 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.988 -5.701 -18.620 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.769 -7.756 -17.059 1.00 25.00 C ATOM 323 CE2 PHE B 1 -4.385 -5.903 -17.268 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.799 -6.953 -16.506 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.835 -8.033 -23.248 1.00 25.00 H new ATOM 0 H2 PHE B 1 -3.153 -6.982 -23.450 1.00 25.00 H new ATOM 0 H3 PHE B 1 -1.676 -6.388 -22.860 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.196 -8.345 -21.111 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.430 -6.074 -20.580 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.003 -5.417 -20.988 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.470 -8.035 -18.800 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.484 -4.953 -19.221 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.338 -8.564 -16.486 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.129 -5.261 -16.821 1.00 25.00 H new ATOM 0 HZ PHE B 1 -4.141 -7.140 -15.499 1.00 25.00 H new ATOM 336 N VAL B 2 -4.705 -8.568 -20.411 1.00 25.00 N ATOM 337 CA VAL B 2 -6.140 -8.890 -20.317 1.00 25.00 C ATOM 338 C VAL B 2 -6.618 -8.335 -18.969 1.00 25.00 C ATOM 339 O VAL B 2 -5.976 -8.593 -17.959 1.00 25.00 O ATOM 340 CB VAL B 2 -6.388 -10.463 -20.409 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.863 -10.817 -20.205 1.00 25.00 C ATOM 342 CG2 VAL B 2 -5.881 -10.997 -21.805 1.00 25.00 C ATOM 0 H VAL B 2 -4.132 -8.952 -19.660 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.694 -8.446 -21.144 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.826 -10.944 -19.608 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.991 -11.897 -20.275 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.186 -10.476 -19.221 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.464 -10.330 -20.973 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.051 -12.072 -21.867 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.426 -10.497 -22.606 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.815 -10.792 -21.908 1.00 25.00 H new ATOM 352 N ASN B 3 -7.651 -7.503 -18.973 1.00 25.00 N ATOM 353 CA ASN B 3 -8.050 -6.862 -17.748 1.00 25.00 C ATOM 354 C ASN B 3 -8.800 -7.843 -16.832 1.00 25.00 C ATOM 355 O ASN B 3 -9.975 -8.114 -17.052 1.00 25.00 O ATOM 356 CB ASN B 3 -8.937 -5.656 -18.079 1.00 25.00 C ATOM 357 CG ASN B 3 -8.209 -4.596 -18.848 1.00 25.00 C ATOM 358 OD1 ASN B 3 -7.010 -4.389 -18.660 1.00 25.00 O ATOM 359 ND2 ASN B 3 -8.904 -3.910 -19.713 1.00 25.00 N ATOM 0 H ASN B 3 -8.209 -7.266 -19.793 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.160 -6.527 -17.216 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.798 -5.991 -18.657 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.321 -5.228 -17.153 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.455 -3.175 -20.260 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.896 -4.109 -19.843 1.00 25.00 H new ATOM 366 N GLN B 4 -8.145 -8.414 -15.843 1.00 25.00 N ATOM 367 CA GLN B 4 -8.718 -9.454 -14.975 1.00 25.00 C ATOM 368 C GLN B 4 -7.884 -9.533 -13.672 1.00 25.00 C ATOM 369 O GLN B 4 -6.948 -8.755 -13.475 1.00 25.00 O ATOM 370 CB GLN B 4 -8.664 -10.821 -15.710 1.00 25.00 C ATOM 371 CG GLN B 4 -9.710 -11.858 -15.243 1.00 25.00 C ATOM 372 CD GLN B 4 -9.997 -12.938 -16.290 1.00 25.00 C ATOM 373 OE1 GLN B 4 -9.134 -13.304 -17.085 1.00 25.00 O ATOM 374 NE2 GLN B 4 -11.246 -13.399 -16.350 1.00 25.00 N ATOM 0 H GLN B 4 -7.183 -8.173 -15.605 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.754 -9.213 -14.736 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.799 -10.647 -16.778 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.669 -11.247 -15.579 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -9.358 -12.333 -14.327 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -10.639 -11.343 -14.998 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -11.941 -13.077 -15.677 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -11.507 -14.074 -17.069 1.00 25.00 H new ATOM 383 N HIS B 5 -8.246 -10.401 -12.762 1.00 25.00 N ATOM 384 CA HIS B 5 -7.485 -10.579 -11.531 1.00 25.00 C ATOM 385 C HIS B 5 -6.316 -11.466 -11.908 1.00 25.00 C ATOM 386 O HIS B 5 -6.475 -12.566 -12.424 1.00 25.00 O ATOM 387 CB HIS B 5 -8.343 -11.331 -10.469 1.00 25.00 C ATOM 388 CG HIS B 5 -9.311 -10.504 -9.711 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.436 -9.897 -10.217 1.00 25.00 N ATOM 390 CD2 HIS B 5 -9.334 -10.224 -8.373 1.00 25.00 C ATOM 391 CE1 HIS B 5 -11.095 -9.318 -9.224 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.481 -9.457 -8.072 1.00 25.00 N ATOM 0 H HIS B 5 -9.066 -11.003 -12.842 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.180 -9.620 -11.113 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.892 -12.127 -10.972 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.669 -11.808 -9.758 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -8.590 -10.540 -7.657 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -12.030 -8.792 -9.348 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -10.768 -9.093 -7.163 1.00 25.00 H new ATOM 400 N LEU B 6 -5.117 -10.968 -11.624 1.00 25.00 N ATOM 401 CA LEU B 6 -3.871 -11.742 -11.848 1.00 25.00 C ATOM 402 C LEU B 6 -3.007 -11.465 -10.631 1.00 25.00 C ATOM 403 O LEU B 6 -2.853 -10.331 -10.254 1.00 25.00 O ATOM 404 CB LEU B 6 -3.165 -11.267 -13.112 1.00 25.00 C ATOM 405 CG LEU B 6 -3.716 -11.760 -14.481 1.00 25.00 C ATOM 406 CD1 LEU B 6 -4.607 -10.641 -15.115 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.525 -11.997 -15.455 1.00 25.00 C ATOM 0 H LEU B 6 -4.967 -10.036 -11.239 1.00 25.00 H new ATOM 0 HA LEU B 6 -4.073 -12.805 -11.977 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.184 -10.177 -13.116 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.119 -11.567 -13.044 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.288 -12.675 -14.324 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.994 -10.984 -16.074 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.439 -10.416 -14.447 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.010 -9.742 -15.266 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -2.905 -12.343 -16.417 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -1.978 -11.064 -15.595 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -1.857 -12.750 -15.037 1.00 25.00 H new ATOM 419 N CYS B 7 -2.486 -12.502 -10.019 1.00 25.00 N ATOM 420 CA CYS B 7 -1.628 -12.414 -8.809 1.00 25.00 C ATOM 421 C CYS B 7 -0.679 -13.636 -8.817 1.00 25.00 C ATOM 422 O CYS B 7 -0.992 -14.683 -9.353 1.00 25.00 O ATOM 423 CB CYS B 7 -2.483 -12.522 -7.529 1.00 25.00 C ATOM 424 SG CYS B 7 -1.581 -12.114 -5.986 1.00 25.00 S ATOM 0 H CYS B 7 -2.636 -13.460 -10.336 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.093 -11.465 -8.819 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.341 -11.856 -7.622 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -2.873 -13.537 -7.451 1.00 25.00 H new ATOM 429 N GLY B 8 0.467 -13.496 -8.111 1.00 25.00 N ATOM 430 CA GLY B 8 1.371 -14.625 -7.914 1.00 25.00 C ATOM 431 C GLY B 8 2.099 -15.000 -9.177 1.00 25.00 C ATOM 432 O GLY B 8 2.700 -14.182 -9.861 1.00 25.00 O ATOM 0 H GLY B 8 0.773 -12.624 -7.680 1.00 25.00 H new ATOM 0 HA2 GLY B 8 2.096 -14.376 -7.139 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.804 -15.484 -7.555 1.00 25.00 H new ATOM 436 N SER B 9 2.004 -16.269 -9.545 1.00 25.00 N ATOM 437 CA SER B 9 2.584 -16.747 -10.799 1.00 25.00 C ATOM 438 C SER B 9 1.984 -15.956 -11.983 1.00 25.00 C ATOM 439 O SER B 9 2.641 -15.764 -12.992 1.00 25.00 O ATOM 440 CB SER B 9 2.233 -18.256 -10.985 1.00 25.00 C ATOM 441 OG SER B 9 0.923 -18.512 -10.497 1.00 25.00 O ATOM 0 H SER B 9 1.532 -16.988 -8.997 1.00 25.00 H new ATOM 0 HA SER B 9 3.665 -16.610 -10.769 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.297 -18.526 -12.039 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.956 -18.875 -10.453 1.00 25.00 H new ATOM 0 HG SER B 9 0.708 -19.460 -10.618 1.00 25.00 H new ATOM 447 N HIS B 10 0.735 -15.542 -11.865 1.00 25.00 N ATOM 448 CA HIS B 10 0.053 -14.835 -12.965 1.00 25.00 C ATOM 449 C HIS B 10 0.492 -13.386 -13.052 1.00 25.00 C ATOM 450 O HIS B 10 0.347 -12.742 -14.064 1.00 25.00 O ATOM 451 CB HIS B 10 -1.459 -14.884 -12.764 1.00 25.00 C ATOM 452 CG HIS B 10 -2.007 -16.261 -12.533 1.00 25.00 C ATOM 453 ND1 HIS B 10 -2.257 -16.769 -11.288 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.365 -17.243 -13.401 1.00 25.00 C ATOM 455 CE1 HIS B 10 -2.668 -18.030 -11.417 1.00 25.00 C ATOM 456 NE2 HIS B 10 -2.747 -18.386 -12.688 1.00 25.00 N ATOM 0 H HIS B 10 0.165 -15.676 -11.030 1.00 25.00 H new ATOM 0 HA HIS B 10 0.323 -15.338 -13.894 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.721 -14.254 -11.914 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.944 -14.455 -13.641 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -2.147 -16.266 -10.407 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -2.356 -17.155 -14.477 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -2.907 -18.680 -10.588 1.00 25.00 H new ATOM 464 N LEU B 11 1.140 -12.875 -11.997 1.00 25.00 N ATOM 465 CA LEU B 11 1.594 -11.521 -12.074 1.00 25.00 C ATOM 466 C LEU B 11 2.837 -11.481 -12.905 1.00 25.00 C ATOM 467 O LEU B 11 3.066 -10.556 -13.664 1.00 25.00 O ATOM 468 CB LEU B 11 1.946 -10.997 -10.666 1.00 25.00 C ATOM 469 CG LEU B 11 2.023 -9.469 -10.550 1.00 25.00 C ATOM 470 CD1 LEU B 11 0.674 -8.863 -10.161 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.121 -9.074 -9.585 1.00 25.00 C ATOM 0 H LEU B 11 1.345 -13.368 -11.128 1.00 25.00 H new ATOM 0 HA LEU B 11 0.807 -10.905 -12.510 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.201 -11.364 -9.960 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.905 -11.419 -10.366 1.00 25.00 H new ATOM 0 HG LEU B 11 2.272 -9.062 -11.530 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.769 -7.780 -10.089 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.069 -9.112 -10.919 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.359 -9.265 -9.198 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.166 -7.987 -9.511 1.00 25.00 H new ATOM 0 HD22 LEU B 11 2.911 -9.497 -8.602 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.077 -9.453 -9.946 1.00 25.00 H new ATOM 483 N VAL B 12 3.630 -12.555 -12.810 1.00 25.00 N ATOM 484 CA VAL B 12 4.869 -12.694 -13.556 1.00 25.00 C ATOM 485 C VAL B 12 4.415 -12.663 -15.044 1.00 25.00 C ATOM 486 O VAL B 12 4.981 -11.925 -15.852 1.00 25.00 O ATOM 487 CB VAL B 12 5.615 -14.075 -13.198 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.913 -14.159 -13.923 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.840 -14.240 -11.667 1.00 25.00 C ATOM 0 H VAL B 12 3.422 -13.352 -12.208 1.00 25.00 H new ATOM 0 HA VAL B 12 5.589 -11.909 -13.323 1.00 25.00 H new ATOM 0 HB VAL B 12 4.967 -14.890 -13.520 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.409 -15.097 -13.673 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.733 -14.118 -14.997 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.548 -13.323 -13.630 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.346 -15.186 -11.473 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.454 -13.418 -11.299 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.878 -14.232 -11.155 1.00 25.00 H new ATOM 499 N GLU B 13 3.352 -13.371 -15.318 1.00 25.00 N ATOM 500 CA GLU B 13 2.745 -13.356 -16.663 1.00 25.00 C ATOM 501 C GLU B 13 2.170 -11.985 -17.049 1.00 25.00 C ATOM 502 O GLU B 13 2.305 -11.553 -18.194 1.00 25.00 O ATOM 503 CB GLU B 13 1.637 -14.402 -16.747 1.00 25.00 C ATOM 504 CG GLU B 13 2.124 -15.904 -16.583 1.00 25.00 C ATOM 505 CD GLU B 13 0.934 -16.886 -16.537 1.00 25.00 C ATOM 506 OE1 GLU B 13 -0.130 -16.496 -17.078 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.037 -17.940 -15.886 1.00 25.00 O ATOM 0 H GLU B 13 2.875 -13.970 -14.644 1.00 25.00 H new ATOM 0 HA GLU B 13 3.546 -13.585 -17.366 1.00 25.00 H new ATOM 0 HB2 GLU B 13 0.897 -14.189 -15.976 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.134 -14.301 -17.709 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.781 -16.166 -17.412 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.710 -15.999 -15.669 1.00 25.00 H new ATOM 514 N ALA B 14 1.600 -11.247 -16.103 1.00 25.00 N ATOM 515 CA ALA B 14 1.089 -9.894 -16.440 1.00 25.00 C ATOM 516 C ALA B 14 2.188 -8.955 -16.914 1.00 25.00 C ATOM 517 O ALA B 14 2.099 -8.350 -17.975 1.00 25.00 O ATOM 518 CB ALA B 14 0.313 -9.263 -15.268 1.00 25.00 C ATOM 0 H ALA B 14 1.476 -11.533 -15.132 1.00 25.00 H new ATOM 0 HA ALA B 14 0.397 -10.036 -17.270 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.043 -8.274 -15.558 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.538 -9.895 -15.013 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.970 -9.173 -14.403 1.00 25.00 H new ATOM 524 N LEU B 15 3.273 -8.895 -16.144 1.00 25.00 N ATOM 525 CA LEU B 15 4.405 -7.996 -16.460 1.00 25.00 C ATOM 526 C LEU B 15 5.109 -8.475 -17.718 1.00 25.00 C ATOM 527 O LEU B 15 5.567 -7.657 -18.531 1.00 25.00 O ATOM 528 CB LEU B 15 5.384 -7.934 -15.283 1.00 25.00 C ATOM 529 CG LEU B 15 5.159 -7.014 -14.047 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.015 -5.560 -14.479 1.00 25.00 C ATOM 531 CD2 LEU B 15 3.996 -7.447 -13.155 1.00 25.00 C ATOM 0 H LEU B 15 3.401 -9.451 -15.299 1.00 25.00 H new ATOM 0 HA LEU B 15 4.021 -6.991 -16.635 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.475 -8.951 -14.901 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.354 -7.662 -15.700 1.00 25.00 H new ATOM 0 HG LEU B 15 6.051 -7.115 -13.428 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.859 -4.933 -13.601 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.921 -5.242 -14.995 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.162 -5.463 -15.151 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.904 -6.757 -12.317 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.072 -7.441 -13.733 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.181 -8.453 -12.778 1.00 25.00 H new ATOM 543 N TYR B 16 5.175 -9.779 -17.894 1.00 25.00 N ATOM 544 CA TYR B 16 5.794 -10.321 -19.093 1.00 25.00 C ATOM 545 C TYR B 16 5.038 -9.792 -20.317 1.00 25.00 C ATOM 546 O TYR B 16 5.611 -9.303 -21.275 1.00 25.00 O ATOM 547 CB TYR B 16 5.795 -11.836 -19.092 1.00 25.00 C ATOM 548 CG TYR B 16 6.390 -12.407 -20.341 1.00 25.00 C ATOM 549 CD1 TYR B 16 5.599 -12.691 -21.485 1.00 25.00 C ATOM 550 CD2 TYR B 16 7.771 -12.698 -20.388 1.00 25.00 C ATOM 551 CE1 TYR B 16 6.184 -13.210 -22.658 1.00 25.00 C ATOM 552 CE2 TYR B 16 8.362 -13.172 -21.551 1.00 25.00 C ATOM 553 CZ TYR B 16 7.612 -13.451 -22.665 1.00 25.00 C ATOM 554 OH TYR B 16 8.244 -13.950 -23.787 1.00 25.00 O ATOM 0 H TYR B 16 4.817 -10.474 -17.239 1.00 25.00 H new ATOM 0 HA TYR B 16 6.836 -10.001 -19.123 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.355 -12.196 -18.229 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.773 -12.197 -18.982 1.00 25.00 H new ATOM 0 HD1 TYR B 16 4.535 -12.507 -21.456 1.00 25.00 H new ATOM 0 HD2 TYR B 16 8.376 -12.550 -19.506 1.00 25.00 H new ATOM 0 HE1 TYR B 16 5.582 -13.423 -23.529 1.00 25.00 H new ATOM 0 HE2 TYR B 16 9.431 -13.324 -21.579 1.00 25.00 H new ATOM 0 HH TYR B 16 9.203 -14.046 -23.607 1.00 25.00 H new ATOM 564 N LEU B 17 3.689 -9.876 -20.267 1.00 25.00 N ATOM 565 CA LEU B 17 2.839 -9.423 -21.372 1.00 25.00 C ATOM 566 C LEU B 17 2.774 -7.894 -21.594 1.00 25.00 C ATOM 567 O LEU B 17 2.553 -7.451 -22.699 1.00 25.00 O ATOM 568 CB LEU B 17 1.384 -9.921 -21.127 1.00 25.00 C ATOM 569 CG LEU B 17 1.213 -11.436 -21.384 1.00 25.00 C ATOM 570 CD1 LEU B 17 -0.203 -11.902 -20.906 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.341 -11.742 -22.887 1.00 25.00 C ATOM 0 H LEU B 17 3.174 -10.254 -19.471 1.00 25.00 H new ATOM 0 HA LEU B 17 3.301 -9.842 -22.266 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.098 -9.698 -20.099 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.703 -9.369 -21.775 1.00 25.00 H new ATOM 0 HG LEU B 17 1.990 -11.965 -20.832 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.316 -12.970 -21.090 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.310 -11.705 -19.839 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.970 -11.356 -21.455 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.218 -12.812 -23.052 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.571 -11.200 -23.436 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.325 -11.431 -23.239 1.00 25.00 H new ATOM 583 N VAL B 18 2.871 -7.096 -20.533 1.00 25.00 N ATOM 584 CA VAL B 18 2.801 -5.650 -20.657 1.00 25.00 C ATOM 585 C VAL B 18 4.124 -4.997 -21.098 1.00 25.00 C ATOM 586 O VAL B 18 4.152 -4.110 -21.972 1.00 25.00 O ATOM 587 CB VAL B 18 2.378 -5.006 -19.286 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.417 -3.445 -19.337 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.934 -5.424 -18.915 1.00 25.00 C ATOM 0 H VAL B 18 2.998 -7.431 -19.578 1.00 25.00 H new ATOM 0 HA VAL B 18 2.061 -5.463 -21.435 1.00 25.00 H new ATOM 0 HB VAL B 18 3.091 -5.363 -18.543 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.118 -3.042 -18.370 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.429 -3.114 -19.571 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.732 -3.089 -20.106 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.657 -4.970 -17.964 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.247 -5.088 -19.692 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.880 -6.509 -18.828 1.00 25.00 H new ATOM 599 N CYS B 19 5.241 -5.435 -20.526 1.00 25.00 N ATOM 600 CA CYS B 19 6.460 -4.730 -20.783 1.00 25.00 C ATOM 601 C CYS B 19 7.514 -5.577 -21.486 1.00 25.00 C ATOM 602 O CYS B 19 8.670 -5.213 -21.598 1.00 25.00 O ATOM 603 CB CYS B 19 7.032 -4.208 -19.450 1.00 25.00 C ATOM 604 SG CYS B 19 5.986 -2.990 -18.579 1.00 25.00 S ATOM 0 H CYS B 19 5.314 -6.243 -19.908 1.00 25.00 H new ATOM 0 HA CYS B 19 6.216 -3.909 -21.457 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.201 -5.057 -18.788 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.005 -3.756 -19.643 1.00 25.00 H new ATOM 609 N GLY B 20 7.107 -6.760 -21.934 1.00 25.00 N ATOM 610 CA GLY B 20 8.010 -7.634 -22.684 1.00 25.00 C ATOM 611 C GLY B 20 9.159 -8.179 -21.853 1.00 25.00 C ATOM 612 O GLY B 20 10.220 -8.381 -22.364 1.00 25.00 O ATOM 0 H GLY B 20 6.169 -7.135 -21.794 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.439 -8.469 -23.091 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.416 -7.082 -23.532 1.00 25.00 H new ATOM 616 N GLU B 21 8.917 -8.385 -20.541 1.00 25.00 N ATOM 617 CA GLU B 21 9.908 -8.831 -19.526 1.00 25.00 C ATOM 618 C GLU B 21 10.951 -7.778 -19.159 1.00 25.00 C ATOM 619 O GLU B 21 11.508 -7.771 -18.093 1.00 25.00 O ATOM 620 CB GLU B 21 10.567 -10.156 -19.941 1.00 25.00 C ATOM 621 CG GLU B 21 11.353 -10.888 -18.830 1.00 25.00 C ATOM 622 CD GLU B 21 12.055 -12.155 -19.382 1.00 25.00 C ATOM 623 OE1 GLU B 21 11.333 -13.126 -19.670 1.00 25.00 O ATOM 624 OE2 GLU B 21 13.274 -12.149 -19.588 1.00 25.00 O ATOM 0 H GLU B 21 7.991 -8.241 -20.139 1.00 25.00 H new ATOM 0 HA GLU B 21 9.337 -8.995 -18.612 1.00 25.00 H new ATOM 0 HB2 GLU B 21 9.792 -10.825 -20.314 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.245 -9.959 -20.772 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.096 -10.215 -18.402 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.674 -11.167 -18.024 1.00 25.00 H new ATOM 631 N ARG B 22 11.156 -6.838 -20.082 1.00 25.00 N ATOM 632 CA ARG B 22 12.192 -5.835 -19.931 1.00 25.00 C ATOM 633 C ARG B 22 12.001 -4.978 -18.701 1.00 25.00 C ATOM 634 O ARG B 22 12.945 -4.352 -18.202 1.00 25.00 O ATOM 635 CB ARG B 22 12.203 -4.880 -21.123 1.00 25.00 C ATOM 636 CG ARG B 22 12.287 -5.564 -22.499 1.00 25.00 C ATOM 637 CD ARG B 22 13.684 -6.170 -22.723 1.00 25.00 C ATOM 638 NE ARG B 22 13.737 -7.089 -23.879 1.00 25.00 N ATOM 639 CZ ARG B 22 13.702 -8.419 -23.809 1.00 25.00 C ATOM 640 NH1 ARG B 22 13.558 -9.047 -22.699 1.00 25.00 N ATOM 641 NH2 ARG B 22 13.812 -9.121 -24.933 1.00 25.00 N ATOM 0 H ARG B 22 10.613 -6.756 -20.942 1.00 25.00 H new ATOM 0 HA ARG B 22 13.124 -6.395 -19.852 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.300 -4.271 -21.091 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.049 -4.201 -21.018 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.531 -6.346 -22.568 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.069 -4.840 -23.284 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.403 -5.365 -22.873 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.989 -6.707 -21.825 1.00 25.00 H new ATOM 0 HE ARG B 22 13.806 -6.671 -24.807 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.465 -8.526 -21.827 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.536 -10.067 -22.689 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.921 -8.640 -25.826 1.00 25.00 H new ATOM 0 HH22 ARG B 22 13.788 -10.140 -24.902 1.00 25.00 H new ATOM 655 N GLY B 23 10.750 -4.877 -18.282 1.00 25.00 N ATOM 656 CA GLY B 23 10.408 -3.994 -17.180 1.00 25.00 C ATOM 657 C GLY B 23 10.409 -4.594 -15.797 1.00 25.00 C ATOM 658 O GLY B 23 10.083 -3.893 -14.858 1.00 25.00 O ATOM 0 H GLY B 23 9.964 -5.389 -18.682 1.00 25.00 H new ATOM 0 HA2 GLY B 23 11.107 -3.157 -17.187 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.417 -3.583 -17.370 1.00 25.00 H new ATOM 662 N PHE B 24 10.651 -5.880 -15.666 1.00 25.00 N ATOM 663 CA PHE B 24 10.571 -6.486 -14.326 1.00 25.00 C ATOM 664 C PHE B 24 11.554 -7.647 -14.058 1.00 25.00 C ATOM 665 O PHE B 24 12.018 -8.322 -15.000 1.00 25.00 O ATOM 666 CB PHE B 24 9.159 -6.924 -14.022 1.00 25.00 C ATOM 667 CG PHE B 24 8.870 -8.339 -14.460 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.839 -8.700 -15.848 1.00 25.00 C ATOM 669 CD2 PHE B 24 8.571 -9.339 -13.490 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.545 -10.018 -16.213 1.00 25.00 C ATOM 671 CE2 PHE B 24 8.212 -10.614 -13.872 1.00 25.00 C ATOM 672 CZ PHE B 24 8.196 -10.987 -15.248 1.00 25.00 C ATOM 0 H PHE B 24 10.896 -6.515 -16.426 1.00 25.00 H new ATOM 0 HA PHE B 24 10.881 -5.689 -13.650 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.981 -6.839 -12.950 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.461 -6.248 -14.516 1.00 25.00 H new ATOM 0 HD1 PHE B 24 9.041 -7.959 -16.607 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.626 -9.094 -12.440 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.586 -10.300 -17.255 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.939 -11.339 -13.120 1.00 25.00 H new ATOM 0 HZ PHE B 24 7.923 -11.989 -15.545 1.00 25.00 H new ATOM 682 N PHE B 25 11.795 -7.887 -12.777 1.00 25.00 N ATOM 683 CA PHE B 25 12.600 -9.001 -12.349 1.00 25.00 C ATOM 684 C PHE B 25 11.745 -10.003 -11.619 1.00 25.00 C ATOM 685 O PHE B 25 10.906 -9.637 -10.749 1.00 25.00 O ATOM 686 CB PHE B 25 13.709 -8.504 -11.387 1.00 25.00 C ATOM 687 CG PHE B 25 14.589 -9.626 -10.833 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.712 -10.135 -11.582 1.00 25.00 C ATOM 689 CD2 PHE B 25 14.274 -10.238 -9.613 1.00 25.00 C ATOM 690 CE1 PHE B 25 16.493 -11.192 -11.110 1.00 25.00 C ATOM 691 CE2 PHE B 25 15.082 -11.322 -9.129 1.00 25.00 C ATOM 692 CZ PHE B 25 16.195 -11.794 -9.892 1.00 25.00 C ATOM 0 H PHE B 25 11.436 -7.312 -12.015 1.00 25.00 H new ATOM 0 HA PHE B 25 13.047 -9.467 -13.227 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.339 -7.786 -11.912 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.246 -7.973 -10.555 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.955 -9.686 -12.534 1.00 25.00 H new ATOM 0 HD2 PHE B 25 13.426 -9.896 -9.038 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.332 -11.543 -11.693 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.847 -11.784 -8.182 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.799 -12.611 -9.526 1.00 25.00 H new HETATM 702 N NVA B 26 11.988 -11.313 -11.951 1.00 25.00 N HETATM 703 CA NVA B 26 11.438 -12.513 -11.305 1.00 25.00 C HETATM 704 CB NVA B 26 10.521 -13.437 -12.238 1.00 25.00 C HETATM 705 CG NVA B 26 11.306 -14.278 -13.370 1.00 25.00 C HETATM 706 CD NVA B 26 10.422 -15.295 -14.118 1.00 25.00 C HETATM 707 C NVA B 26 12.571 -13.332 -10.668 1.00 25.00 C HETATM 708 O NVA B 26 13.697 -13.339 -11.117 1.00 25.00 O HETATM 0 HG3 NVA B 26 11.735 -13.584 -14.093 1.00 25.00 H new HETATM 0 HG2 NVA B 26 12.137 -14.807 -12.904 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.605 -14.771 -14.614 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.976 -14.136 -11.604 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.779 -12.806 -12.728 1.00 25.00 H new HETATM 0 HA NVA B 26 10.757 -12.143 -10.538 1.00 25.00 H new ATOM 717 N THR B 27 12.222 -14.010 -9.566 1.00 25.00 N ATOM 718 CA THR B 27 13.180 -14.816 -8.881 1.00 25.00 C ATOM 719 C THR B 27 13.570 -15.924 -9.863 1.00 25.00 C ATOM 720 O THR B 27 12.744 -16.308 -10.704 1.00 25.00 O ATOM 721 CB THR B 27 12.630 -15.381 -7.637 1.00 25.00 C ATOM 722 OG1 THR B 27 11.336 -15.872 -7.900 1.00 25.00 O ATOM 723 CG2 THR B 27 12.588 -14.350 -6.546 1.00 25.00 C ATOM 0 H THR B 27 11.290 -14.002 -9.152 1.00 25.00 H new ATOM 0 HA THR B 27 14.043 -14.223 -8.579 1.00 25.00 H new ATOM 0 HB THR B 27 13.274 -16.191 -7.295 1.00 25.00 H new ATOM 0 HG1 THR B 27 10.958 -16.253 -7.080 1.00 25.00 H new ATOM 0 HG21 THR B 27 12.178 -14.796 -5.640 1.00 25.00 H new ATOM 0 HG22 THR B 27 13.597 -13.989 -6.348 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.959 -13.516 -6.857 1.00 25.00 H new ATOM 731 N PRO B 28 14.850 -16.260 -9.875 1.00 25.00 N ATOM 732 CA PRO B 28 15.331 -17.021 -11.025 1.00 25.00 C ATOM 733 C PRO B 28 14.883 -18.448 -11.136 1.00 25.00 C ATOM 734 O PRO B 28 15.437 -19.349 -10.503 1.00 25.00 O ATOM 735 CB PRO B 28 16.847 -16.890 -10.861 1.00 25.00 C ATOM 736 CG PRO B 28 17.021 -16.768 -9.349 1.00 25.00 C ATOM 737 CD PRO B 28 15.942 -15.890 -8.975 1.00 25.00 C ATOM 0 HA PRO B 28 14.920 -16.630 -11.956 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.372 -17.758 -11.259 1.00 25.00 H new ATOM 0 HB3 PRO B 28 17.235 -16.016 -11.384 1.00 25.00 H new ATOM 0 HG2 PRO B 28 16.945 -17.736 -8.853 1.00 25.00 H new ATOM 0 HG3 PRO B 28 17.993 -16.350 -9.086 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.661 -16.027 -7.931 1.00 25.00 H new ATOM 0 HD3 PRO B 28 16.220 -14.843 -9.096 1.00 25.00 H new HETATM 745 N HIX B 29 13.995 -18.683 -12.116 1.00 25.00 N HETATM 746 CA HIX B 29 13.521 -20.021 -12.544 1.00 25.00 C HETATM 747 C HIX B 29 14.424 -20.569 -13.669 1.00 25.00 C HETATM 748 O HIX B 29 14.108 -20.618 -14.831 1.00 25.00 O HETATM 749 CB HIX B 29 12.036 -19.899 -12.946 1.00 25.00 C HETATM 750 CG HIX B 29 11.731 -18.606 -13.714 1.00 25.00 C HETATM 751 CD2 HIX B 29 11.348 -17.471 -13.193 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.756 -18.488 -15.048 1.00 25.00 N HETATM 753 NE1 HIX B 29 11.518 -17.116 -15.465 1.00 25.00 N HETATM 754 NE2 HIX B 29 11.115 -16.605 -14.169 1.00 25.00 N ATOM 762 N THR B 30 15.645 -20.949 -13.223 1.00 25.00 N ATOM 763 CA THR B 30 16.691 -21.590 -14.015 1.00 25.00 C ATOM 764 C THR B 30 16.318 -23.048 -14.239 1.00 25.00 C ATOM 765 O THR B 30 16.573 -23.580 -15.330 1.00 25.00 O ATOM 766 CB THR B 30 18.063 -21.560 -13.266 1.00 25.00 C ATOM 767 OG1 THR B 30 18.341 -20.220 -12.844 1.00 25.00 O ATOM 768 CG2 THR B 30 19.206 -21.976 -14.199 1.00 25.00 C ATOM 769 OXT THR B 30 15.858 -23.646 -13.221 1.00 25.00 O ATOM 0 H THR B 30 15.929 -20.805 -12.254 1.00 25.00 H new ATOM 0 HA THR B 30 16.781 -21.051 -14.958 1.00 25.00 H new ATOM 0 HB THR B 30 17.997 -22.247 -12.422 1.00 25.00 H new ATOM 0 HG1 THR B 30 19.200 -20.197 -12.372 1.00 25.00 H new ATOM 0 HG21 THR B 30 20.149 -21.947 -13.654 1.00 25.00 H new ATOM 0 HG22 THR B 30 19.028 -22.988 -14.563 1.00 25.00 H new ATOM 0 HG23 THR B 30 19.254 -21.289 -15.044 1.00 25.00 H new TER 777 THR B 30