USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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: B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Set 2.1: A 1 GLY N :NH3+ -162:sc= 0.0907 (180deg=0.0409) USER MOD Set 2.2: A 5 GLN : amide:sc= 0 K(o=0.091,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.135 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.083 X(o=-0.083,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 19 TYR OH : rot 15:sc= 0.542 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.0933 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.083 X(o=-0.083,f=-0.048) USER MOD Single : B 5 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-7.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 47:sc= 0.541 USER MOD Single : B 29 LYS NZ :NH3+ -135:sc= -0.188 (180deg=-1.54!) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0184 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.934 -0.885 -1.037 1.00 25.00 N ATOM 2 CA GLY A 1 1.849 0.554 -1.431 1.00 25.00 C ATOM 3 C GLY A 1 1.382 0.706 -2.855 1.00 25.00 C ATOM 4 O GLY A 1 1.524 -0.231 -3.621 1.00 25.00 O ATOM 0 H1 GLY A 1 1.956 -0.960 0.000 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.105 -1.395 -1.404 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.800 -1.303 -1.433 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.163 1.076 -0.764 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.826 1.023 -1.315 1.00 25.00 H new ATOM 10 N ILE A 2 0.818 1.851 -3.223 1.00 25.00 N ATOM 11 CA ILE A 2 0.184 1.991 -4.539 1.00 25.00 C ATOM 12 C ILE A 2 1.158 1.793 -5.707 1.00 25.00 C ATOM 13 O ILE A 2 0.812 1.162 -6.697 1.00 25.00 O ATOM 14 CB ILE A 2 -0.587 3.348 -4.636 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.553 3.308 -5.833 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.383 4.565 -4.692 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.531 4.477 -5.891 1.00 25.00 C ATOM 0 H ILE A 2 0.784 2.688 -2.641 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.539 1.181 -4.631 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.176 3.483 -3.729 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.971 3.291 -6.754 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.119 2.377 -5.797 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.194 5.487 -4.759 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.995 4.584 -3.790 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.028 4.476 -5.566 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.174 4.370 -6.764 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.143 4.485 -4.989 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.976 5.413 -5.961 1.00 25.00 H new ATOM 29 N VAL A 3 2.399 2.242 -5.569 1.00 25.00 N ATOM 30 CA VAL A 3 3.390 2.062 -6.633 1.00 25.00 C ATOM 31 C VAL A 3 3.737 0.588 -6.773 1.00 25.00 C ATOM 32 O VAL A 3 3.842 0.065 -7.866 1.00 25.00 O ATOM 33 CB VAL A 3 4.684 2.862 -6.342 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.646 2.786 -7.546 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.339 4.326 -6.026 1.00 25.00 C ATOM 0 H VAL A 3 2.745 2.729 -4.742 1.00 25.00 H new ATOM 0 HA VAL A 3 2.953 2.434 -7.560 1.00 25.00 H new ATOM 0 HB VAL A 3 5.180 2.423 -5.476 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.550 3.353 -7.326 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.908 1.745 -7.737 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.160 3.206 -8.427 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.255 4.880 -5.823 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.827 4.771 -6.879 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.689 4.366 -5.152 1.00 25.00 H new ATOM 45 N GLU A 4 3.861 -0.089 -5.644 1.00 25.00 N ATOM 46 CA GLU A 4 4.169 -1.516 -5.624 1.00 25.00 C ATOM 47 C GLU A 4 3.055 -2.295 -6.320 1.00 25.00 C ATOM 48 O GLU A 4 3.316 -3.183 -7.122 1.00 25.00 O ATOM 49 CB GLU A 4 4.294 -1.967 -4.168 1.00 25.00 C ATOM 50 CG GLU A 4 4.726 -3.402 -3.945 1.00 25.00 C ATOM 51 CD GLU A 4 4.633 -3.797 -2.499 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.106 -3.106 -1.648 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.153 -4.942 -2.241 1.00 25.00 O ATOM 0 H GLU A 4 3.753 0.328 -4.719 1.00 25.00 H new ATOM 0 HA GLU A 4 5.105 -1.704 -6.150 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.008 -1.313 -3.667 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.330 -1.820 -3.680 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.102 -4.066 -4.543 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.752 -3.530 -4.291 1.00 25.00 H new ATOM 61 N GLN A 5 1.816 -1.935 -6.026 1.00 25.00 N ATOM 62 CA GLN A 5 0.657 -2.599 -6.617 1.00 25.00 C ATOM 63 C GLN A 5 0.576 -2.313 -8.116 1.00 25.00 C ATOM 64 O GLN A 5 0.265 -3.198 -8.900 1.00 25.00 O ATOM 65 CB GLN A 5 -0.617 -2.129 -5.906 1.00 25.00 C ATOM 66 CG GLN A 5 -0.720 -2.645 -4.464 1.00 25.00 C ATOM 67 CD GLN A 5 -1.638 -1.804 -3.599 1.00 25.00 C ATOM 68 OE1 GLN A 5 -1.180 -1.043 -2.752 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.922 -1.948 -3.787 1.00 25.00 N ATOM 0 H GLN A 5 1.583 -1.183 -5.378 1.00 25.00 H new ATOM 0 HA GLN A 5 0.760 -3.677 -6.489 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.643 -1.039 -5.900 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.487 -2.465 -6.470 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.082 -3.673 -4.477 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.275 -2.663 -4.018 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.264 -2.591 -4.501 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.583 -1.418 -3.220 1.00 25.00 H new ATOM 78 N CYS A 6 0.907 -1.093 -8.512 1.00 25.00 N ATOM 79 CA CYS A 6 0.900 -0.707 -9.923 1.00 25.00 C ATOM 80 C CYS A 6 2.059 -1.313 -10.709 1.00 25.00 C ATOM 81 O CYS A 6 1.991 -1.441 -11.934 1.00 25.00 O ATOM 82 CB CYS A 6 0.950 0.815 -10.036 1.00 25.00 C ATOM 83 SG CYS A 6 -0.695 1.555 -9.786 1.00 25.00 S ATOM 0 H CYS A 6 1.186 -0.347 -7.875 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.021 -1.095 -10.357 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.646 1.213 -9.298 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.332 1.096 -11.018 1.00 25.00 H new ATOM 88 N CYS A 7 3.114 -1.689 -10.006 1.00 25.00 N ATOM 89 CA CYS A 7 4.264 -2.314 -10.636 1.00 25.00 C ATOM 90 C CYS A 7 4.051 -3.818 -10.804 1.00 25.00 C ATOM 91 O CYS A 7 4.337 -4.374 -11.856 1.00 25.00 O ATOM 92 CB CYS A 7 5.526 -2.076 -9.807 1.00 25.00 C ATOM 93 SG CYS A 7 6.438 -0.586 -10.318 1.00 25.00 S ATOM 0 H CYS A 7 3.198 -1.572 -8.996 1.00 25.00 H new ATOM 0 HA CYS A 7 4.384 -1.861 -11.620 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.252 -1.986 -8.756 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.180 -2.944 -9.893 1.00 25.00 H new ATOM 98 N THR A 8 3.575 -4.479 -9.757 1.00 25.00 N ATOM 99 CA THR A 8 3.414 -5.938 -9.792 1.00 25.00 C ATOM 100 C THR A 8 2.110 -6.356 -10.481 1.00 25.00 C ATOM 101 O THR A 8 2.003 -7.460 -11.010 1.00 25.00 O ATOM 102 CB THR A 8 3.498 -6.550 -8.358 1.00 25.00 C ATOM 103 OG1 THR A 8 3.746 -7.953 -8.453 1.00 25.00 O ATOM 104 CG2 THR A 8 2.218 -6.345 -7.560 1.00 25.00 C ATOM 0 H THR A 8 3.295 -4.040 -8.880 1.00 25.00 H new ATOM 0 HA THR A 8 4.240 -6.333 -10.384 1.00 25.00 H new ATOM 0 HB THR A 8 4.309 -6.037 -7.840 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.800 -8.337 -7.553 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.331 -6.790 -6.571 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.020 -5.278 -7.458 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.386 -6.820 -8.079 1.00 25.00 H new ATOM 112 N SER A 9 1.125 -5.468 -10.508 1.00 25.00 N ATOM 113 CA SER A 9 -0.154 -5.776 -11.132 1.00 25.00 C ATOM 114 C SER A 9 -0.634 -4.583 -11.942 1.00 25.00 C ATOM 115 O SER A 9 0.118 -3.648 -12.173 1.00 25.00 O ATOM 116 CB SER A 9 -1.187 -6.192 -10.079 1.00 25.00 C ATOM 117 OG SER A 9 -2.310 -6.812 -10.689 1.00 25.00 O ATOM 0 H SER A 9 1.187 -4.532 -10.107 1.00 25.00 H new ATOM 0 HA SER A 9 -0.024 -6.620 -11.810 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.730 -6.879 -9.366 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.511 -5.317 -9.516 1.00 25.00 H new ATOM 0 HG SER A 9 -2.956 -7.071 -9.999 1.00 25.00 H new ATOM 123 N ILE A 10 -1.803 -4.698 -12.545 1.00 25.00 N ATOM 124 CA ILE A 10 -2.240 -3.722 -13.539 1.00 25.00 C ATOM 125 C ILE A 10 -2.685 -2.426 -12.875 1.00 25.00 C ATOM 126 O ILE A 10 -3.610 -2.399 -12.062 1.00 25.00 O ATOM 127 CB ILE A 10 -3.383 -4.298 -14.419 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.906 -5.575 -15.159 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.907 -3.231 -15.411 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.775 -5.372 -16.169 1.00 25.00 C ATOM 0 H ILE A 10 -2.467 -5.452 -12.369 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.388 -3.502 -14.182 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.213 -4.577 -13.770 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.579 -6.303 -14.416 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.759 -6.012 -15.679 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.707 -3.658 -16.016 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.290 -2.375 -14.856 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.094 -2.908 -16.061 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.520 -6.328 -16.627 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.098 -4.674 -16.941 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.900 -4.969 -15.659 1.00 25.00 H new ATOM 142 N CYS A 11 -2.021 -1.343 -13.246 1.00 25.00 N ATOM 143 CA CYS A 11 -2.341 -0.024 -12.731 1.00 25.00 C ATOM 144 C CYS A 11 -3.423 0.610 -13.605 1.00 25.00 C ATOM 145 O CYS A 11 -3.147 1.435 -14.476 1.00 25.00 O ATOM 146 CB CYS A 11 -1.086 0.835 -12.726 1.00 25.00 C ATOM 147 SG CYS A 11 -1.165 2.285 -11.621 1.00 25.00 S ATOM 0 H CYS A 11 -1.247 -1.355 -13.911 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.715 -0.103 -11.710 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.239 0.216 -12.432 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -0.892 1.179 -13.742 1.00 25.00 H new ATOM 152 N SER A 12 -4.656 0.174 -13.405 1.00 25.00 N ATOM 153 CA SER A 12 -5.789 0.698 -14.160 1.00 25.00 C ATOM 154 C SER A 12 -5.985 2.178 -13.839 1.00 25.00 C ATOM 155 O SER A 12 -5.549 2.652 -12.792 1.00 25.00 O ATOM 156 CB SER A 12 -7.048 -0.085 -13.802 1.00 25.00 C ATOM 157 OG SER A 12 -6.851 -1.462 -14.065 1.00 25.00 O ATOM 0 H SER A 12 -4.901 -0.544 -12.724 1.00 25.00 H new ATOM 0 HA SER A 12 -5.593 0.591 -15.227 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.291 0.062 -12.750 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.894 0.287 -14.379 1.00 25.00 H new ATOM 0 HG SER A 12 -7.663 -1.959 -13.831 1.00 25.00 H new ATOM 163 N LEU A 13 -6.676 2.896 -14.718 1.00 25.00 N ATOM 164 CA LEU A 13 -6.905 4.338 -14.544 1.00 25.00 C ATOM 165 C LEU A 13 -7.517 4.708 -13.191 1.00 25.00 C ATOM 166 O LEU A 13 -7.256 5.775 -12.663 1.00 25.00 O ATOM 167 CB LEU A 13 -7.777 4.874 -15.691 1.00 25.00 C ATOM 168 CG LEU A 13 -9.249 4.420 -15.735 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.164 5.471 -15.102 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.672 4.168 -17.175 1.00 25.00 C ATOM 0 H LEU A 13 -7.092 2.507 -15.564 1.00 25.00 H new ATOM 0 HA LEU A 13 -5.923 4.810 -14.568 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.762 5.963 -15.645 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.308 4.588 -16.633 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.339 3.496 -15.164 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.197 5.127 -15.145 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.876 5.625 -14.062 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.071 6.410 -15.647 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.714 3.847 -17.197 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.562 5.086 -17.752 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.044 3.390 -17.608 1.00 25.00 H new ATOM 182 N TYR A 14 -8.288 3.802 -12.613 1.00 25.00 N ATOM 183 CA TYR A 14 -8.917 4.032 -11.318 1.00 25.00 C ATOM 184 C TYR A 14 -7.877 4.189 -10.208 1.00 25.00 C ATOM 185 O TYR A 14 -8.016 5.013 -9.320 1.00 25.00 O ATOM 186 CB TYR A 14 -9.830 2.853 -11.007 1.00 25.00 C ATOM 187 CG TYR A 14 -10.665 2.435 -12.200 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.683 3.269 -12.703 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.429 1.201 -12.846 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.447 2.884 -13.840 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.191 0.815 -13.982 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.191 1.665 -14.470 1.00 25.00 C ATOM 193 OH TYR A 14 -12.922 1.304 -15.571 1.00 25.00 O ATOM 0 H TYR A 14 -8.496 2.891 -13.023 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.489 4.958 -11.365 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.227 2.008 -10.676 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.490 3.117 -10.180 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -11.886 4.213 -12.219 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.659 0.542 -12.472 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.224 3.534 -14.215 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.999 -0.131 -14.467 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.620 0.429 -15.892 1.00 25.00 H new ATOM 203 N GLN A 15 -6.811 3.404 -10.293 1.00 25.00 N ATOM 204 CA GLN A 15 -5.712 3.485 -9.332 1.00 25.00 C ATOM 205 C GLN A 15 -4.890 4.731 -9.613 1.00 25.00 C ATOM 206 O GLN A 15 -4.453 5.417 -8.703 1.00 25.00 O ATOM 207 CB GLN A 15 -4.808 2.256 -9.450 1.00 25.00 C ATOM 208 CG GLN A 15 -5.488 0.956 -9.059 1.00 25.00 C ATOM 209 CD GLN A 15 -5.889 0.937 -7.596 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.084 1.201 -6.719 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.134 0.641 -7.332 1.00 25.00 N ATOM 0 H GLN A 15 -6.681 2.700 -11.020 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.128 3.527 -8.326 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.453 2.175 -10.477 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.930 2.400 -8.820 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.373 0.810 -9.679 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.816 0.122 -9.261 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.779 0.425 -8.092 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.461 0.626 -6.366 1.00 25.00 H new ATOM 220 N LEU A 16 -4.705 5.024 -10.891 1.00 25.00 N ATOM 221 CA LEU A 16 -3.941 6.197 -11.317 1.00 25.00 C ATOM 222 C LEU A 16 -4.555 7.502 -10.797 1.00 25.00 C ATOM 223 O LEU A 16 -3.831 8.400 -10.405 1.00 25.00 O ATOM 224 CB LEU A 16 -3.801 6.222 -12.843 1.00 25.00 C ATOM 225 CG LEU A 16 -2.831 5.164 -13.406 1.00 25.00 C ATOM 226 CD1 LEU A 16 -2.973 5.027 -14.911 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.384 5.519 -13.090 1.00 25.00 C ATOM 0 H LEU A 16 -5.074 4.464 -11.659 1.00 25.00 H new ATOM 0 HA LEU A 16 -2.946 6.118 -10.880 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.784 6.072 -13.289 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.460 7.211 -13.149 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.090 4.219 -12.929 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.275 4.273 -15.275 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -3.992 4.726 -15.154 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.754 5.984 -15.386 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.724 4.754 -13.500 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.141 6.484 -13.534 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.250 5.573 -12.010 1.00 25.00 H new ATOM 239 N GLU A 17 -5.877 7.589 -10.744 1.00 25.00 N ATOM 240 CA GLU A 17 -6.545 8.789 -10.218 1.00 25.00 C ATOM 241 C GLU A 17 -6.113 9.127 -8.785 1.00 25.00 C ATOM 242 O GLU A 17 -6.056 10.291 -8.417 1.00 25.00 O ATOM 243 CB GLU A 17 -8.068 8.603 -10.230 1.00 25.00 C ATOM 244 CG GLU A 17 -8.696 8.712 -11.609 1.00 25.00 C ATOM 245 CD GLU A 17 -10.184 8.528 -11.578 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.963 9.420 -11.423 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.561 7.309 -11.759 1.00 25.00 O ATOM 0 H GLU A 17 -6.511 6.853 -11.054 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.250 9.611 -10.870 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.307 7.626 -9.810 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.520 9.350 -9.577 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.463 9.688 -12.035 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.254 7.963 -12.266 1.00 25.00 H new ATOM 255 N ASN A 18 -5.792 8.114 -7.993 1.00 25.00 N ATOM 256 CA ASN A 18 -5.400 8.308 -6.589 1.00 25.00 C ATOM 257 C ASN A 18 -4.070 9.051 -6.436 1.00 25.00 C ATOM 258 O ASN A 18 -3.809 9.655 -5.405 1.00 25.00 O ATOM 259 CB ASN A 18 -5.312 6.968 -5.859 1.00 25.00 C ATOM 260 CG ASN A 18 -6.633 6.249 -5.802 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.666 6.839 -5.557 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.605 4.964 -6.031 1.00 25.00 N ATOM 0 H ASN A 18 -5.793 7.139 -8.294 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.179 8.926 -6.143 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.579 6.334 -6.359 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.950 7.135 -4.845 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.469 4.423 -6.007 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.719 4.501 -6.234 1.00 25.00 H new ATOM 269 N TYR A 19 -3.201 8.942 -7.434 1.00 25.00 N ATOM 270 CA TYR A 19 -1.889 9.602 -7.397 1.00 25.00 C ATOM 271 C TYR A 19 -2.056 11.118 -7.510 1.00 25.00 C ATOM 272 O TYR A 19 -1.165 11.886 -7.152 1.00 25.00 O ATOM 273 CB TYR A 19 -1.048 9.148 -8.583 1.00 25.00 C ATOM 274 CG TYR A 19 -0.479 7.754 -8.479 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.265 6.624 -8.768 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.865 7.560 -8.117 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.717 5.321 -8.707 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.418 6.261 -8.054 1.00 25.00 C ATOM 279 CZ TYR A 19 0.624 5.154 -8.356 1.00 25.00 C ATOM 280 OH TYR A 19 1.159 3.895 -8.295 1.00 25.00 O ATOM 0 H TYR A 19 -3.376 8.404 -8.282 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.406 9.340 -6.455 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.660 9.206 -9.483 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.224 9.850 -8.712 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.302 6.753 -9.040 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.483 8.414 -7.884 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.332 4.462 -8.930 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.452 6.126 -7.773 1.00 25.00 H new ATOM 0 HH TYR A 19 0.563 3.264 -8.750 1.00 25.00 H new ATOM 290 N CYS A 20 -3.185 11.543 -8.053 1.00 25.00 N ATOM 291 CA CYS A 20 -3.466 12.956 -8.235 1.00 25.00 C ATOM 292 C CYS A 20 -4.128 13.470 -6.958 1.00 25.00 C ATOM 293 O CYS A 20 -5.022 12.836 -6.409 1.00 25.00 O ATOM 294 CB CYS A 20 -4.377 13.140 -9.450 1.00 25.00 C ATOM 295 SG CYS A 20 -3.689 12.315 -10.924 1.00 25.00 S ATOM 0 H CYS A 20 -3.927 10.923 -8.378 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.552 13.521 -8.418 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.365 12.735 -9.231 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.506 14.203 -9.653 1.00 25.00 H new ATOM 300 N ASN A 21 -3.651 14.619 -6.457 1.00 25.00 N ATOM 301 CA ASN A 21 -4.092 15.249 -5.190 1.00 25.00 C ATOM 302 C ASN A 21 -3.824 14.402 -3.932 1.00 25.00 C ATOM 303 O ASN A 21 -3.147 14.805 -3.015 1.00 25.00 O ATOM 304 CB ASN A 21 -5.551 15.718 -5.259 1.00 25.00 C ATOM 305 CG ASN A 21 -5.971 16.296 -3.938 1.00 25.00 C ATOM 306 OD1 ASN A 21 -5.583 17.359 -3.529 1.00 25.00 O ATOM 307 ND2 ASN A 21 -6.823 15.573 -3.226 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.397 13.231 -3.900 1.00 25.00 O ATOM 0 H ASN A 21 -2.926 15.157 -6.932 1.00 25.00 H new ATOM 0 HA ASN A 21 -3.460 16.131 -5.081 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -5.664 16.466 -6.044 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -6.198 14.881 -5.521 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -7.154 15.917 -2.325 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -7.147 14.673 -3.579 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.525 2.581 -22.617 1.00 25.00 N ATOM 318 CA PHE B 1 -7.324 2.305 -21.778 1.00 25.00 C ATOM 319 C PHE B 1 -6.751 0.946 -22.135 1.00 25.00 C ATOM 320 O PHE B 1 -7.484 0.102 -22.619 1.00 25.00 O ATOM 321 CB PHE B 1 -7.717 2.344 -20.293 1.00 25.00 C ATOM 322 CG PHE B 1 -6.546 2.519 -19.358 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.009 3.800 -19.120 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.971 1.408 -18.708 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.901 3.973 -18.252 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.861 1.571 -17.837 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.327 2.854 -17.618 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.296 3.312 -23.321 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.816 1.709 -23.104 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.302 2.915 -22.012 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.565 3.065 -21.965 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.422 3.160 -20.135 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.237 1.420 -20.040 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.447 4.660 -19.605 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.379 0.422 -18.874 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.499 4.960 -18.078 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.428 0.713 -17.344 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.477 2.981 -16.964 1.00 25.00 H new ATOM 339 N VAL B 2 -5.456 0.740 -21.931 1.00 25.00 N ATOM 340 CA VAL B 2 -4.804 -0.532 -22.260 1.00 25.00 C ATOM 341 C VAL B 2 -4.149 -1.028 -20.982 1.00 25.00 C ATOM 342 O VAL B 2 -3.511 -0.248 -20.281 1.00 25.00 O ATOM 343 CB VAL B 2 -3.716 -0.345 -23.368 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.022 -1.679 -23.695 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.349 0.233 -24.647 1.00 25.00 C ATOM 0 H VAL B 2 -4.828 1.440 -21.536 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.537 -1.242 -22.644 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.969 0.351 -22.987 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.271 -1.518 -24.468 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.541 -2.069 -22.798 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.762 -2.396 -24.051 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.580 0.358 -25.409 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.116 -0.449 -25.014 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.800 1.200 -24.425 1.00 25.00 H new ATOM 355 N ASN B 3 -4.326 -2.299 -20.653 1.00 25.00 N ATOM 356 CA ASN B 3 -3.712 -2.828 -19.441 1.00 25.00 C ATOM 357 C ASN B 3 -2.225 -3.020 -19.637 1.00 25.00 C ATOM 358 O ASN B 3 -1.781 -3.604 -20.615 1.00 25.00 O ATOM 359 CB ASN B 3 -4.321 -4.164 -18.982 1.00 25.00 C ATOM 360 CG ASN B 3 -4.069 -5.305 -19.944 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.159 -6.084 -19.749 1.00 25.00 O ATOM 362 ND2 ASN B 3 -4.909 -5.445 -20.936 1.00 25.00 N ATOM 0 H ASN B 3 -4.875 -2.970 -21.191 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.907 -2.087 -18.665 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.911 -4.425 -18.006 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.396 -4.039 -18.853 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.812 -6.231 -21.579 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.661 -4.769 -21.067 1.00 25.00 H new ATOM 369 N GLN B 4 -1.469 -2.545 -18.665 1.00 25.00 N ATOM 370 CA GLN B 4 -0.049 -2.809 -18.588 1.00 25.00 C ATOM 371 C GLN B 4 0.347 -2.545 -17.144 1.00 25.00 C ATOM 372 O GLN B 4 -0.231 -1.684 -16.475 1.00 25.00 O ATOM 373 CB GLN B 4 0.754 -1.924 -19.561 1.00 25.00 C ATOM 374 CG GLN B 4 0.453 -0.434 -19.470 1.00 25.00 C ATOM 375 CD GLN B 4 1.223 0.380 -20.500 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.430 0.588 -20.389 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.523 0.853 -21.497 1.00 25.00 N ATOM 0 H GLN B 4 -1.825 -1.964 -17.906 1.00 25.00 H new ATOM 0 HA GLN B 4 0.172 -3.836 -18.880 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.817 -2.077 -19.375 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.557 -2.258 -20.580 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.616 -0.273 -19.610 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.701 -0.077 -18.470 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.477 0.659 -21.555 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.976 1.416 -22.217 1.00 25.00 H new ATOM 386 N HIS B 5 1.328 -3.285 -16.667 1.00 25.00 N ATOM 387 CA HIS B 5 1.969 -2.969 -15.388 1.00 25.00 C ATOM 388 C HIS B 5 2.748 -1.668 -15.616 1.00 25.00 C ATOM 389 O HIS B 5 3.237 -1.445 -16.723 1.00 25.00 O ATOM 390 CB HIS B 5 2.913 -4.100 -14.972 1.00 25.00 C ATOM 391 CG HIS B 5 2.226 -5.423 -14.828 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.080 -5.605 -14.079 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.500 -6.652 -15.328 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.703 -6.877 -14.161 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.550 -7.520 -14.900 1.00 25.00 N ATOM 0 H HIS B 5 1.704 -4.108 -17.137 1.00 25.00 H new ATOM 0 HA HIS B 5 1.237 -2.856 -14.589 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.709 -4.190 -15.712 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.386 -3.839 -14.025 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.338 -6.900 -15.963 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.168 -7.305 -13.688 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.509 -8.514 -15.123 1.00 25.00 H new ATOM 404 N LEU B 6 2.829 -0.799 -14.618 1.00 25.00 N ATOM 405 CA LEU B 6 3.458 0.516 -14.796 1.00 25.00 C ATOM 406 C LEU B 6 4.434 0.868 -13.679 1.00 25.00 C ATOM 407 O LEU B 6 4.067 0.896 -12.511 1.00 25.00 O ATOM 408 CB LEU B 6 2.381 1.607 -14.839 1.00 25.00 C ATOM 409 CG LEU B 6 1.435 1.662 -16.048 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.384 2.730 -15.821 1.00 25.00 C ATOM 411 CD2 LEU B 6 2.188 1.992 -17.325 1.00 25.00 C ATOM 0 H LEU B 6 2.471 -0.973 -13.679 1.00 25.00 H new ATOM 0 HA LEU B 6 4.014 0.463 -15.732 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.768 1.502 -13.944 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.884 2.571 -14.769 1.00 25.00 H new ATOM 0 HG LEU B 6 0.972 0.681 -16.154 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.287 2.769 -16.679 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.188 2.493 -14.924 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.870 3.698 -15.696 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.490 2.023 -18.161 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.673 2.963 -17.221 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.942 1.227 -17.511 1.00 25.00 H new ATOM 423 N CYS B 7 5.663 1.195 -14.059 1.00 25.00 N ATOM 424 CA CYS B 7 6.688 1.629 -13.109 1.00 25.00 C ATOM 425 C CYS B 7 7.433 2.821 -13.694 1.00 25.00 C ATOM 426 O CYS B 7 7.455 3.000 -14.916 1.00 25.00 O ATOM 427 CB CYS B 7 7.705 0.507 -12.868 1.00 25.00 C ATOM 428 SG CYS B 7 7.003 -1.038 -12.216 1.00 25.00 S ATOM 0 H CYS B 7 5.979 1.168 -15.028 1.00 25.00 H new ATOM 0 HA CYS B 7 6.203 1.892 -12.169 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.213 0.290 -13.807 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.462 0.867 -12.172 1.00 25.00 H new ATOM 433 N GLY B 8 8.102 3.588 -12.843 1.00 25.00 N ATOM 434 CA GLY B 8 8.976 4.654 -13.312 1.00 25.00 C ATOM 435 C GLY B 8 8.318 5.640 -14.256 1.00 25.00 C ATOM 436 O GLY B 8 7.196 6.085 -14.033 1.00 25.00 O ATOM 0 H GLY B 8 8.056 3.492 -11.829 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.359 5.198 -12.449 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.834 4.208 -13.814 1.00 25.00 H new ATOM 440 N SER B 9 9.011 5.962 -15.339 1.00 25.00 N ATOM 441 CA SER B 9 8.512 6.914 -16.327 1.00 25.00 C ATOM 442 C SER B 9 7.200 6.471 -16.967 1.00 25.00 C ATOM 443 O SER B 9 6.369 7.303 -17.289 1.00 25.00 O ATOM 444 CB SER B 9 9.559 7.106 -17.418 1.00 25.00 C ATOM 445 OG SER B 9 9.996 5.846 -17.905 1.00 25.00 O ATOM 0 H SER B 9 9.929 5.575 -15.559 1.00 25.00 H new ATOM 0 HA SER B 9 8.319 7.849 -15.802 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.140 7.694 -18.234 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.407 7.666 -17.024 1.00 25.00 H new ATOM 0 HG SER B 9 10.667 5.981 -18.606 1.00 25.00 H new ATOM 451 N HIS B 10 6.985 5.172 -17.119 1.00 25.00 N ATOM 452 CA HIS B 10 5.731 4.681 -17.704 1.00 25.00 C ATOM 453 C HIS B 10 4.547 5.042 -16.817 1.00 25.00 C ATOM 454 O HIS B 10 3.475 5.374 -17.309 1.00 25.00 O ATOM 455 CB HIS B 10 5.775 3.162 -17.895 1.00 25.00 C ATOM 456 CG HIS B 10 6.287 2.741 -19.235 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.500 2.096 -20.197 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.513 2.857 -19.811 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.244 1.870 -21.272 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.455 2.320 -21.059 1.00 25.00 N ATOM 0 H HIS B 10 7.647 4.443 -16.852 1.00 25.00 H new ATOM 0 HA HIS B 10 5.611 5.158 -18.677 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.406 2.725 -17.121 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.773 2.758 -17.755 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.386 3.301 -19.355 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.905 1.391 -22.179 1.00 25.00 H new ATOM 0 HE2 HIS B 10 8.229 2.275 -21.722 1.00 25.00 H new ATOM 469 N LEU B 11 4.751 4.990 -15.511 1.00 25.00 N ATOM 470 CA LEU B 11 3.693 5.317 -14.559 1.00 25.00 C ATOM 471 C LEU B 11 3.361 6.805 -14.659 1.00 25.00 C ATOM 472 O LEU B 11 2.199 7.190 -14.700 1.00 25.00 O ATOM 473 CB LEU B 11 4.156 4.942 -13.144 1.00 25.00 C ATOM 474 CG LEU B 11 3.158 5.058 -11.981 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.928 4.196 -12.186 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.865 4.620 -10.704 1.00 25.00 C ATOM 0 H LEU B 11 5.638 4.725 -15.082 1.00 25.00 H new ATOM 0 HA LEU B 11 2.789 4.752 -14.787 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.508 3.911 -13.175 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.017 5.565 -12.903 1.00 25.00 H new ATOM 0 HG LEU B 11 2.822 6.093 -11.921 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.255 4.314 -11.337 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.417 4.502 -13.099 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.226 3.151 -12.270 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.176 4.694 -9.863 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.200 3.588 -10.809 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.726 5.264 -10.525 1.00 25.00 H new ATOM 488 N VAL B 12 4.394 7.628 -14.764 1.00 25.00 N ATOM 489 CA VAL B 12 4.230 9.080 -14.900 1.00 25.00 C ATOM 490 C VAL B 12 3.530 9.437 -16.220 1.00 25.00 C ATOM 491 O VAL B 12 2.643 10.283 -16.255 1.00 25.00 O ATOM 492 CB VAL B 12 5.625 9.781 -14.835 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.509 11.287 -15.051 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.289 9.504 -13.472 1.00 25.00 C ATOM 0 H VAL B 12 5.366 7.318 -14.758 1.00 25.00 H new ATOM 0 HA VAL B 12 3.607 9.430 -14.077 1.00 25.00 H new ATOM 0 HB VAL B 12 6.240 9.371 -15.636 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.499 11.739 -14.999 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.072 11.482 -16.031 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.872 11.717 -14.278 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.261 9.996 -13.434 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.656 9.890 -12.673 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.421 8.430 -13.343 1.00 25.00 H new ATOM 504 N GLU B 13 3.906 8.763 -17.297 1.00 25.00 N ATOM 505 CA GLU B 13 3.319 9.018 -18.615 1.00 25.00 C ATOM 506 C GLU B 13 1.827 8.701 -18.620 1.00 25.00 C ATOM 507 O GLU B 13 1.044 9.357 -19.299 1.00 25.00 O ATOM 508 CB GLU B 13 4.025 8.159 -19.666 1.00 25.00 C ATOM 509 CG GLU B 13 5.414 8.678 -20.041 1.00 25.00 C ATOM 510 CD GLU B 13 6.226 7.670 -20.808 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.013 6.483 -20.811 1.00 25.00 O ATOM 512 OE2 GLU B 13 7.207 8.191 -21.454 1.00 25.00 O ATOM 0 H GLU B 13 4.617 8.032 -17.289 1.00 25.00 H new ATOM 0 HA GLU B 13 3.449 10.075 -18.849 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.115 7.140 -19.291 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.407 8.115 -20.563 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.309 9.584 -20.638 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.950 8.955 -19.134 1.00 25.00 H new ATOM 520 N ALA B 14 1.430 7.708 -17.843 1.00 25.00 N ATOM 521 CA ALA B 14 0.030 7.330 -17.763 1.00 25.00 C ATOM 522 C ALA B 14 -0.767 8.350 -16.946 1.00 25.00 C ATOM 523 O ALA B 14 -1.929 8.614 -17.235 1.00 25.00 O ATOM 524 CB ALA B 14 -0.084 5.959 -17.148 1.00 25.00 C ATOM 0 H ALA B 14 2.055 7.151 -17.260 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.387 7.311 -18.770 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.134 5.674 -17.087 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.453 5.238 -17.764 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.347 5.972 -16.147 1.00 25.00 H new ATOM 530 N LEU B 15 -0.136 8.925 -15.933 1.00 25.00 N ATOM 531 CA LEU B 15 -0.800 9.908 -15.076 1.00 25.00 C ATOM 532 C LEU B 15 -1.172 11.167 -15.848 1.00 25.00 C ATOM 533 O LEU B 15 -2.235 11.748 -15.607 1.00 25.00 O ATOM 534 CB LEU B 15 0.098 10.272 -13.890 1.00 25.00 C ATOM 535 CG LEU B 15 0.188 9.217 -12.779 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.282 9.543 -11.765 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.139 9.113 -12.079 1.00 25.00 C ATOM 0 H LEU B 15 0.833 8.731 -15.681 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.720 9.454 -14.708 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.103 10.466 -14.264 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.265 11.203 -13.454 1.00 25.00 H new ATOM 0 HG LEU B 15 0.445 8.265 -13.243 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.309 8.769 -10.998 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.246 9.586 -12.271 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.073 10.507 -11.301 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.076 8.364 -11.290 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.397 10.078 -11.644 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.907 8.821 -12.796 1.00 25.00 H new ATOM 549 N TYR B 16 -0.353 11.532 -16.827 1.00 25.00 N ATOM 550 CA TYR B 16 -0.662 12.672 -17.695 1.00 25.00 C ATOM 551 C TYR B 16 -2.000 12.468 -18.384 1.00 25.00 C ATOM 552 O TYR B 16 -2.771 13.395 -18.535 1.00 25.00 O ATOM 553 CB TYR B 16 0.406 12.856 -18.780 1.00 25.00 C ATOM 554 CG TYR B 16 1.613 13.656 -18.345 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.547 15.062 -18.259 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.832 13.022 -18.040 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.682 15.821 -17.862 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.972 13.779 -17.653 1.00 25.00 C ATOM 559 CZ TYR B 16 3.880 15.169 -17.563 1.00 25.00 C ATOM 560 OH TYR B 16 4.980 15.892 -17.179 1.00 25.00 O ATOM 0 H TYR B 16 0.526 11.061 -17.043 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.691 13.557 -17.059 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.739 11.873 -19.114 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.049 13.348 -19.640 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.623 15.568 -18.498 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.903 11.946 -18.101 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.618 16.897 -17.792 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.904 13.281 -17.430 1.00 25.00 H new ATOM 0 HH TYR B 16 5.728 15.283 -17.008 1.00 25.00 H new ATOM 570 N LEU B 17 -2.273 11.247 -18.815 1.00 25.00 N ATOM 571 CA LEU B 17 -3.523 10.964 -19.512 1.00 25.00 C ATOM 572 C LEU B 17 -4.738 10.982 -18.595 1.00 25.00 C ATOM 573 O LEU B 17 -5.795 11.479 -18.960 1.00 25.00 O ATOM 574 CB LEU B 17 -3.472 9.584 -20.150 1.00 25.00 C ATOM 575 CG LEU B 17 -2.376 9.313 -21.191 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.378 7.820 -21.537 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.579 10.146 -22.457 1.00 25.00 C ATOM 0 H LEU B 17 -1.656 10.443 -18.698 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.627 11.754 -20.256 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.363 8.850 -19.351 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.436 9.399 -20.624 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.415 9.600 -20.765 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.603 7.617 -22.276 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.183 7.238 -20.637 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.350 7.542 -21.945 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.783 9.926 -23.169 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.543 9.901 -22.903 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.555 11.206 -22.203 1.00 25.00 H new ATOM 589 N VAL B 18 -4.605 10.348 -17.442 1.00 25.00 N ATOM 590 CA VAL B 18 -5.752 10.125 -16.557 1.00 25.00 C ATOM 591 C VAL B 18 -6.197 11.412 -15.889 1.00 25.00 C ATOM 592 O VAL B 18 -7.393 11.699 -15.799 1.00 25.00 O ATOM 593 CB VAL B 18 -5.408 9.051 -15.488 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.559 8.852 -14.496 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.102 7.729 -16.182 1.00 25.00 C ATOM 0 H VAL B 18 -3.721 9.978 -17.092 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.580 9.765 -17.168 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.538 9.396 -14.929 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.281 8.094 -13.764 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.765 9.792 -13.984 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.451 8.528 -15.033 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.860 6.973 -15.435 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.973 7.408 -16.754 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.254 7.859 -16.854 1.00 25.00 H new ATOM 605 N CYS B 19 -5.243 12.201 -15.426 1.00 25.00 N ATOM 606 CA CYS B 19 -5.586 13.446 -14.756 1.00 25.00 C ATOM 607 C CYS B 19 -5.552 14.630 -15.723 1.00 25.00 C ATOM 608 O CYS B 19 -6.122 15.685 -15.432 1.00 25.00 O ATOM 609 CB CYS B 19 -4.711 13.627 -13.517 1.00 25.00 C ATOM 610 SG CYS B 19 -5.182 12.353 -12.292 1.00 25.00 S ATOM 0 H CYS B 19 -4.244 12.009 -15.498 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.617 13.400 -14.406 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.657 13.531 -13.779 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.846 14.624 -13.099 1.00 25.00 H new ATOM 615 N GLY B 20 -5.011 14.429 -16.918 1.00 25.00 N ATOM 616 CA GLY B 20 -5.061 15.469 -17.933 1.00 25.00 C ATOM 617 C GLY B 20 -4.383 16.764 -17.523 1.00 25.00 C ATOM 618 O GLY B 20 -3.422 16.781 -16.756 1.00 25.00 O ATOM 0 H GLY B 20 -4.541 13.570 -17.204 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.591 15.097 -18.843 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.103 15.677 -18.175 1.00 25.00 H new ATOM 622 N GLU B 21 -4.932 17.868 -18.013 1.00 25.00 N ATOM 623 CA GLU B 21 -4.398 19.206 -17.744 1.00 25.00 C ATOM 624 C GLU B 21 -4.535 19.645 -16.280 1.00 25.00 C ATOM 625 O GLU B 21 -4.030 20.694 -15.901 1.00 25.00 O ATOM 626 CB GLU B 21 -5.107 20.238 -18.634 1.00 25.00 C ATOM 627 CG GLU B 21 -5.015 19.943 -20.135 1.00 25.00 C ATOM 628 CD GLU B 21 -3.597 19.806 -20.612 1.00 25.00 C ATOM 629 OE1 GLU B 21 -3.158 18.813 -21.107 1.00 25.00 O ATOM 630 OE2 GLU B 21 -2.885 20.861 -20.429 1.00 25.00 O ATOM 0 H GLU B 21 -5.760 17.866 -18.609 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.332 19.154 -17.967 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.158 20.286 -18.349 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.679 21.222 -18.442 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.559 19.024 -20.355 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.505 20.743 -20.689 1.00 25.00 H new ATOM 638 N ARG B 22 -5.221 18.853 -15.463 1.00 25.00 N ATOM 639 CA ARG B 22 -5.389 19.176 -14.040 1.00 25.00 C ATOM 640 C ARG B 22 -4.081 18.952 -13.288 1.00 25.00 C ATOM 641 O ARG B 22 -3.885 19.488 -12.205 1.00 25.00 O ATOM 642 CB ARG B 22 -6.485 18.307 -13.417 1.00 25.00 C ATOM 643 CG ARG B 22 -7.867 18.538 -14.032 1.00 25.00 C ATOM 644 CD ARG B 22 -8.893 17.536 -13.514 1.00 25.00 C ATOM 645 NE ARG B 22 -8.660 16.184 -14.055 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.441 15.128 -13.846 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.518 15.192 -13.100 1.00 25.00 N ATOM 648 NH2 ARG B 22 -9.141 13.989 -14.402 1.00 25.00 N ATOM 0 H ARG B 22 -5.670 17.985 -15.755 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.676 20.225 -13.963 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.215 17.257 -13.532 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.534 18.508 -12.347 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.201 19.550 -13.805 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.799 18.461 -15.117 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.852 17.504 -12.425 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.895 17.868 -13.786 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.833 16.048 -14.636 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.780 16.073 -12.658 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -11.093 14.361 -12.962 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.313 13.912 -14.992 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.734 13.174 -14.247 1.00 25.00 H new ATOM 662 N GLY B 23 -3.193 18.169 -13.880 1.00 25.00 N ATOM 663 CA GLY B 23 -1.905 17.898 -13.267 1.00 25.00 C ATOM 664 C GLY B 23 -1.966 16.773 -12.253 1.00 25.00 C ATOM 665 O GLY B 23 -3.033 16.229 -11.962 1.00 25.00 O ATOM 0 H GLY B 23 -3.341 17.712 -14.780 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.184 17.643 -14.044 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.542 18.802 -12.779 1.00 25.00 H new ATOM 669 N PHE B 24 -0.799 16.399 -11.751 1.00 25.00 N ATOM 670 CA PHE B 24 -0.642 15.304 -10.802 1.00 25.00 C ATOM 671 C PHE B 24 0.757 15.463 -10.230 1.00 25.00 C ATOM 672 O PHE B 24 1.512 16.309 -10.706 1.00 25.00 O ATOM 673 CB PHE B 24 -0.756 13.954 -11.516 1.00 25.00 C ATOM 674 CG PHE B 24 0.320 13.719 -12.529 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.165 14.165 -13.849 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.495 13.044 -12.168 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.180 13.953 -14.801 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.514 12.816 -13.108 1.00 25.00 C ATOM 679 CZ PHE B 24 2.357 13.273 -14.433 1.00 25.00 C ATOM 0 H PHE B 24 0.081 16.854 -11.995 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.411 15.331 -10.030 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.725 13.156 -10.774 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.726 13.894 -12.009 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.741 14.676 -14.138 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.618 12.695 -11.154 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.056 14.311 -15.812 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.413 12.293 -12.817 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.136 13.102 -15.162 1.00 25.00 H new ATOM 689 N PHE B 25 1.130 14.616 -9.283 1.00 25.00 N ATOM 690 CA PHE B 25 2.500 14.584 -8.786 1.00 25.00 C ATOM 691 C PHE B 25 2.944 13.130 -8.705 1.00 25.00 C ATOM 692 O PHE B 25 2.129 12.215 -8.805 1.00 25.00 O ATOM 693 CB PHE B 25 2.606 15.264 -7.414 1.00 25.00 C ATOM 694 CG PHE B 25 1.714 14.663 -6.363 1.00 25.00 C ATOM 695 CD1 PHE B 25 2.103 13.501 -5.663 1.00 25.00 C ATOM 696 CD2 PHE B 25 0.483 15.267 -6.048 1.00 25.00 C ATOM 697 CE1 PHE B 25 1.265 12.943 -4.668 1.00 25.00 C ATOM 698 CE2 PHE B 25 -0.353 14.724 -5.048 1.00 25.00 C ATOM 699 CZ PHE B 25 0.034 13.557 -4.361 1.00 25.00 C ATOM 0 H PHE B 25 0.505 13.941 -8.842 1.00 25.00 H new ATOM 0 HA PHE B 25 3.150 15.134 -9.466 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.640 15.211 -7.072 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.361 16.320 -7.524 1.00 25.00 H new ATOM 0 HD1 PHE B 25 3.050 13.033 -5.889 1.00 25.00 H new ATOM 0 HD2 PHE B 25 0.174 16.156 -6.577 1.00 25.00 H new ATOM 0 HE1 PHE B 25 1.568 12.048 -4.145 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -1.291 15.204 -4.810 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.609 13.135 -3.603 1.00 25.00 H new ATOM 709 N TYR B 26 4.235 12.923 -8.518 1.00 25.00 N ATOM 710 CA TYR B 26 4.801 11.591 -8.374 1.00 25.00 C ATOM 711 C TYR B 26 5.880 11.714 -7.314 1.00 25.00 C ATOM 712 O TYR B 26 6.487 12.771 -7.185 1.00 25.00 O ATOM 713 CB TYR B 26 5.397 11.107 -9.699 1.00 25.00 C ATOM 714 CG TYR B 26 6.108 9.782 -9.559 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.382 8.596 -9.336 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.516 9.709 -9.615 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.050 7.357 -9.165 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.187 8.467 -9.458 1.00 25.00 C ATOM 719 CZ TYR B 26 7.444 7.303 -9.232 1.00 25.00 C ATOM 720 OH TYR B 26 8.087 6.102 -9.073 1.00 25.00 O ATOM 0 H TYR B 26 4.923 13.674 -8.461 1.00 25.00 H new ATOM 0 HA TYR B 26 4.041 10.863 -8.090 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.602 11.014 -10.439 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.096 11.854 -10.074 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.303 8.631 -9.295 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.091 10.609 -9.779 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.482 6.457 -8.983 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.265 8.421 -9.513 1.00 25.00 H new ATOM 0 HH TYR B 26 9.055 6.237 -9.148 1.00 25.00 H new ATOM 730 N THR B 27 6.096 10.657 -6.545 1.00 25.00 N ATOM 731 CA THR B 27 7.070 10.669 -5.455 1.00 25.00 C ATOM 732 C THR B 27 8.317 9.834 -5.791 1.00 25.00 C ATOM 733 O THR B 27 8.353 8.618 -5.551 1.00 25.00 O ATOM 734 CB THR B 27 6.424 10.116 -4.173 1.00 25.00 C ATOM 735 OG1 THR B 27 5.846 8.837 -4.449 1.00 25.00 O ATOM 736 CG2 THR B 27 5.318 11.040 -3.689 1.00 25.00 C ATOM 0 H THR B 27 5.606 9.769 -6.655 1.00 25.00 H new ATOM 0 HA THR B 27 7.383 11.703 -5.307 1.00 25.00 H new ATOM 0 HB THR B 27 7.195 10.037 -3.406 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.487 8.289 -4.948 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.874 10.631 -2.781 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.733 12.025 -3.478 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.553 11.127 -4.460 1.00 25.00 H new ATOM 744 N PRO B 28 9.356 10.463 -6.370 1.00 25.00 N ATOM 745 CA PRO B 28 10.561 9.676 -6.644 1.00 25.00 C ATOM 746 C PRO B 28 11.358 9.402 -5.367 1.00 25.00 C ATOM 747 O PRO B 28 11.237 10.118 -4.378 1.00 25.00 O ATOM 748 CB PRO B 28 11.342 10.578 -7.601 1.00 25.00 C ATOM 749 CG PRO B 28 10.981 11.951 -7.173 1.00 25.00 C ATOM 750 CD PRO B 28 9.527 11.872 -6.781 1.00 25.00 C ATOM 0 HA PRO B 28 10.344 8.690 -7.056 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.416 10.406 -7.526 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.062 10.397 -8.639 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.598 12.278 -6.336 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.133 12.668 -7.980 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.293 12.559 -5.967 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.872 12.129 -7.614 1.00 25.00 H new ATOM 758 N LYS B 29 12.195 8.373 -5.392 1.00 25.00 N ATOM 759 CA LYS B 29 13.044 8.053 -4.245 1.00 25.00 C ATOM 760 C LYS B 29 14.318 8.873 -4.329 1.00 25.00 C ATOM 761 O LYS B 29 15.323 8.426 -4.868 1.00 25.00 O ATOM 762 CB LYS B 29 13.410 6.572 -4.226 1.00 25.00 C ATOM 763 CG LYS B 29 12.248 5.640 -3.887 1.00 25.00 C ATOM 764 CD LYS B 29 12.649 4.149 -3.936 1.00 25.00 C ATOM 765 CE LYS B 29 13.618 3.735 -2.805 1.00 25.00 C ATOM 766 NZ LYS B 29 15.073 4.016 -3.122 1.00 25.00 N ATOM 0 H LYS B 29 12.306 7.746 -6.189 1.00 25.00 H new ATOM 0 HA LYS B 29 12.494 8.286 -3.333 1.00 25.00 H new ATOM 0 HB2 LYS B 29 13.809 6.296 -5.202 1.00 25.00 H new ATOM 0 HB3 LYS B 29 14.208 6.417 -3.500 1.00 25.00 H new ATOM 0 HG2 LYS B 29 11.874 5.879 -2.892 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.430 5.816 -4.586 1.00 25.00 H new ATOM 0 HD2 LYS B 29 11.749 3.537 -3.876 1.00 25.00 H new ATOM 0 HD3 LYS B 29 13.115 3.937 -4.899 1.00 25.00 H new ATOM 0 HE2 LYS B 29 13.345 4.264 -1.892 1.00 25.00 H new ATOM 0 HE3 LYS B 29 13.497 2.670 -2.605 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 15.651 3.192 -2.861 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 15.177 4.203 -4.140 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 15.392 4.847 -2.583 1.00 25.00 H new ATOM 780 N THR B 30 14.259 10.086 -3.811 1.00 25.00 N ATOM 781 CA THR B 30 15.395 11.004 -3.819 1.00 25.00 C ATOM 782 C THR B 30 16.513 10.547 -2.892 1.00 25.00 C ATOM 783 O THR B 30 16.347 10.002 -1.823 1.00 25.00 O ATOM 784 CB THR B 30 14.907 12.402 -3.424 1.00 25.00 C ATOM 785 OG1 THR B 30 14.182 12.285 -2.205 1.00 25.00 O ATOM 786 CG2 THR B 30 13.930 12.945 -4.481 1.00 25.00 C ATOM 787 OXT THR B 30 17.694 10.803 -3.343 1.00 25.00 O ATOM 0 H THR B 30 13.422 10.468 -3.371 1.00 25.00 H new ATOM 0 HA THR B 30 15.813 11.023 -4.826 1.00 25.00 H new ATOM 0 HB THR B 30 15.765 13.068 -3.332 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.860 13.169 -1.930 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.592 13.939 -4.187 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.434 13.004 -5.446 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.072 12.278 -4.560 1.00 25.00 H new TER 796 THR B 30