USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=10 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 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 12 SER OG : rot 155:sc= 1.13 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 15 GLN : amide:sc= 0.323 K(o=1.4,f=0.76) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0702 K(o=-0.07,f=-1.2) USER MOD Single : A 8 THR OG1 : rot -79:sc= 1.3 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.029 X(o=0.029,f=0) USER MOD Single : A 19 TYR OH : rot 100:sc= -0.782 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 1 PHE N :NH3+ 130:sc= 0.0368 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1) USER MOD Single : B 4 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.26) USER MOD Single : B 5 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-1.5) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00834 USER MOD Single : B 10 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0262 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.075 -0.462 -1.889 1.00 25.00 N ATOM 2 CA GLY A 1 3.696 -1.905 -2.094 1.00 25.00 C ATOM 3 C GLY A 1 2.748 -2.046 -3.233 1.00 25.00 C ATOM 4 O GLY A 1 1.599 -2.344 -3.011 1.00 25.00 O ATOM 0 H1 GLY A 1 4.736 -0.387 -1.090 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.529 -0.097 -2.750 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.221 0.096 -1.685 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.591 -2.497 -2.285 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.241 -2.299 -1.185 1.00 25.00 H new ATOM 10 N ILE A 2 3.215 -1.797 -4.455 1.00 25.00 N ATOM 11 CA ILE A 2 2.375 -1.851 -5.651 1.00 25.00 C ATOM 12 C ILE A 2 1.860 -3.276 -5.961 1.00 25.00 C ATOM 13 O ILE A 2 0.754 -3.413 -6.471 1.00 25.00 O ATOM 14 CB ILE A 2 3.147 -1.249 -6.899 1.00 25.00 C ATOM 15 CG1 ILE A 2 2.154 -0.862 -8.016 1.00 25.00 C ATOM 16 CG2 ILE A 2 4.231 -2.201 -7.443 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.768 0.064 -9.125 1.00 25.00 C ATOM 0 H ILE A 2 4.187 -1.552 -4.644 1.00 25.00 H new ATOM 0 HA ILE A 2 1.495 -1.241 -5.446 1.00 25.00 H new ATOM 0 HB ILE A 2 3.660 -0.352 -6.551 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.778 -1.771 -8.484 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.298 -0.357 -7.568 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.727 -1.738 -8.296 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.964 -2.402 -6.662 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.769 -3.137 -7.756 1.00 25.00 H new ATOM 0 HD11 ILE A 2 2.007 0.290 -9.872 1.00 25.00 H new ATOM 0 HD12 ILE A 2 3.119 0.991 -8.672 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.605 -0.446 -9.602 1.00 25.00 H new ATOM 29 N VAL A 3 2.589 -4.305 -5.560 1.00 25.00 N ATOM 30 CA VAL A 3 2.110 -5.690 -5.698 1.00 25.00 C ATOM 31 C VAL A 3 0.759 -5.886 -4.962 1.00 25.00 C ATOM 32 O VAL A 3 -0.236 -6.311 -5.578 1.00 25.00 O ATOM 33 CB VAL A 3 3.178 -6.728 -5.204 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.665 -8.136 -5.315 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.512 -6.591 -5.984 1.00 25.00 C ATOM 0 H VAL A 3 3.513 -4.218 -5.136 1.00 25.00 H new ATOM 0 HA VAL A 3 1.948 -5.874 -6.760 1.00 25.00 H new ATOM 0 HB VAL A 3 3.369 -6.507 -4.154 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.429 -8.830 -4.965 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.768 -8.246 -4.705 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.425 -8.355 -6.356 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.227 -7.326 -5.614 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.332 -6.762 -7.045 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.916 -5.589 -5.841 1.00 25.00 H new ATOM 45 N GLU A 4 0.703 -5.524 -3.685 1.00 25.00 N ATOM 46 CA GLU A 4 -0.528 -5.610 -2.918 1.00 25.00 C ATOM 47 C GLU A 4 -1.599 -4.711 -3.518 1.00 25.00 C ATOM 48 O GLU A 4 -2.775 -5.110 -3.640 1.00 25.00 O ATOM 49 CB GLU A 4 -0.258 -5.204 -1.449 1.00 25.00 C ATOM 50 CG GLU A 4 0.491 -6.273 -0.608 1.00 25.00 C ATOM 51 CD GLU A 4 -0.499 -7.319 -0.110 1.00 25.00 C ATOM 52 OE1 GLU A 4 -1.119 -7.087 0.968 1.00 25.00 O ATOM 53 OE2 GLU A 4 -0.644 -8.355 -0.818 1.00 25.00 O ATOM 0 H GLU A 4 1.501 -5.167 -3.160 1.00 25.00 H new ATOM 0 HA GLU A 4 -0.886 -6.639 -2.948 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.324 -4.283 -1.442 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.210 -4.983 -0.966 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.265 -6.748 -1.211 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.991 -5.800 0.237 1.00 25.00 H new ATOM 60 N GLN A 5 -1.208 -3.517 -3.948 1.00 25.00 N ATOM 61 CA GLN A 5 -2.153 -2.577 -4.576 1.00 25.00 C ATOM 62 C GLN A 5 -2.846 -3.169 -5.804 1.00 25.00 C ATOM 63 O GLN A 5 -3.970 -2.809 -6.126 1.00 25.00 O ATOM 64 CB GLN A 5 -1.434 -1.336 -5.062 1.00 25.00 C ATOM 65 CG GLN A 5 -2.251 -0.151 -5.033 1.00 25.00 C ATOM 66 CD GLN A 5 -2.201 0.549 -3.678 1.00 25.00 C ATOM 67 OE1 GLN A 5 -1.649 0.045 -2.730 1.00 25.00 O ATOM 68 NE2 GLN A 5 -2.670 1.769 -3.635 1.00 25.00 N ATOM 0 H GLN A 5 -0.251 -3.171 -3.878 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.887 -2.349 -3.803 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.550 -1.173 -4.446 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.086 -1.503 -6.081 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.917 0.538 -5.809 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.282 -0.417 -5.265 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.132 2.167 -4.453 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.574 2.323 -2.784 1.00 25.00 H new ATOM 77 N CYS A 6 -2.153 -4.072 -6.499 1.00 25.00 N ATOM 78 CA CYS A 6 -2.723 -4.747 -7.677 1.00 25.00 C ATOM 79 C CYS A 6 -3.337 -6.104 -7.346 1.00 25.00 C ATOM 80 O CYS A 6 -4.126 -6.593 -8.094 1.00 25.00 O ATOM 81 CB CYS A 6 -1.661 -4.939 -8.713 1.00 25.00 C ATOM 82 SG CYS A 6 -1.453 -3.558 -9.911 1.00 25.00 S ATOM 0 H CYS A 6 -1.200 -4.355 -6.272 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.521 -4.105 -8.050 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.710 -5.101 -8.206 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.884 -5.849 -9.271 1.00 25.00 H new ATOM 87 N CYS A 7 -3.000 -6.683 -6.207 1.00 25.00 N ATOM 88 CA CYS A 7 -3.597 -7.936 -5.776 1.00 25.00 C ATOM 89 C CYS A 7 -4.862 -7.703 -4.974 1.00 25.00 C ATOM 90 O CYS A 7 -5.683 -8.626 -4.854 1.00 25.00 O ATOM 91 CB CYS A 7 -2.592 -8.779 -4.928 1.00 25.00 C ATOM 92 SG CYS A 7 -1.195 -9.403 -5.922 1.00 25.00 S ATOM 0 H CYS A 7 -2.311 -6.302 -5.559 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.853 -8.490 -6.679 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.209 -8.168 -4.111 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.118 -9.621 -4.477 1.00 25.00 H new ATOM 97 N THR A 8 -5.056 -6.507 -4.464 1.00 25.00 N ATOM 98 CA THR A 8 -6.270 -6.160 -3.746 1.00 25.00 C ATOM 99 C THR A 8 -7.351 -5.785 -4.749 1.00 25.00 C ATOM 100 O THR A 8 -7.788 -4.625 -4.876 1.00 25.00 O ATOM 101 CB THR A 8 -6.019 -5.021 -2.721 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.192 -3.994 -3.256 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.375 -5.580 -1.439 1.00 25.00 C ATOM 0 H THR A 8 -4.380 -5.746 -4.533 1.00 25.00 H new ATOM 0 HA THR A 8 -6.604 -7.024 -3.171 1.00 25.00 H new ATOM 0 HB THR A 8 -6.990 -4.586 -2.485 1.00 25.00 H new ATOM 0 HG1 THR A 8 -4.255 -4.278 -3.222 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.206 -4.767 -0.732 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.039 -6.319 -0.991 1.00 25.00 H new ATOM 0 HG23 THR A 8 -4.423 -6.050 -1.685 1.00 25.00 H new ATOM 111 N SER A 9 -7.730 -6.833 -5.509 1.00 25.00 N ATOM 112 CA SER A 9 -8.694 -6.735 -6.618 1.00 25.00 C ATOM 113 C SER A 9 -7.996 -6.129 -7.813 1.00 25.00 C ATOM 114 O SER A 9 -7.029 -5.440 -7.709 1.00 25.00 O ATOM 115 CB SER A 9 -9.937 -5.970 -6.242 1.00 25.00 C ATOM 116 OG SER A 9 -10.940 -6.093 -7.228 1.00 25.00 O ATOM 0 H SER A 9 -7.371 -7.777 -5.367 1.00 25.00 H new ATOM 0 HA SER A 9 -9.041 -7.737 -6.870 1.00 25.00 H new ATOM 0 HB2 SER A 9 -10.316 -6.337 -5.288 1.00 25.00 H new ATOM 0 HB3 SER A 9 -9.689 -4.918 -6.103 1.00 25.00 H new ATOM 0 HG SER A 9 -11.733 -5.587 -6.953 1.00 25.00 H new ATOM 122 N ILE A 10 -8.521 -6.420 -8.972 1.00 25.00 N ATOM 123 CA ILE A 10 -7.913 -6.031 -10.254 1.00 25.00 C ATOM 124 C ILE A 10 -7.541 -4.548 -10.459 1.00 25.00 C ATOM 125 O ILE A 10 -8.406 -3.667 -10.454 1.00 25.00 O ATOM 126 CB ILE A 10 -8.855 -6.418 -11.450 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.366 -7.868 -11.237 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.116 -6.268 -12.797 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.215 -8.468 -12.312 1.00 25.00 C ATOM 0 H ILE A 10 -9.393 -6.939 -9.074 1.00 25.00 H new ATOM 0 HA ILE A 10 -6.972 -6.580 -10.226 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.711 -5.743 -11.480 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.498 -8.512 -11.095 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.935 -7.890 -10.308 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.786 -6.541 -13.612 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.794 -5.234 -12.922 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.245 -6.923 -12.809 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -10.498 -9.482 -12.029 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.113 -7.864 -12.446 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.654 -8.496 -13.246 1.00 25.00 H new ATOM 141 N CYS A 11 -6.242 -4.320 -10.676 1.00 25.00 N ATOM 142 CA CYS A 11 -5.725 -3.015 -11.014 1.00 25.00 C ATOM 143 C CYS A 11 -5.675 -2.786 -12.540 1.00 25.00 C ATOM 144 O CYS A 11 -5.684 -3.747 -13.351 1.00 25.00 O ATOM 145 CB CYS A 11 -4.335 -2.802 -10.451 1.00 25.00 C ATOM 146 SG CYS A 11 -2.992 -3.795 -11.196 1.00 25.00 S ATOM 0 H CYS A 11 -5.527 -5.046 -10.619 1.00 25.00 H new ATOM 0 HA CYS A 11 -6.415 -2.298 -10.568 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.081 -1.748 -10.560 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.364 -3.014 -9.382 1.00 25.00 H new ATOM 151 N SER A 12 -5.614 -1.519 -12.926 1.00 25.00 N ATOM 152 CA SER A 12 -5.657 -1.117 -14.349 1.00 25.00 C ATOM 153 C SER A 12 -4.336 -1.311 -15.088 1.00 25.00 C ATOM 154 O SER A 12 -3.260 -1.495 -14.456 1.00 25.00 O ATOM 155 CB SER A 12 -6.075 0.353 -14.411 1.00 25.00 C ATOM 156 OG SER A 12 -6.194 0.875 -13.109 1.00 25.00 O ATOM 0 H SER A 12 -5.534 -0.736 -12.277 1.00 25.00 H new ATOM 0 HA SER A 12 -6.374 -1.765 -14.853 1.00 25.00 H new ATOM 0 HB2 SER A 12 -5.339 0.925 -14.975 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.024 0.448 -14.938 1.00 25.00 H new ATOM 0 HG SER A 12 -6.062 1.846 -13.132 1.00 25.00 H new ATOM 162 N LEU A 13 -4.394 -1.256 -16.415 1.00 25.00 N ATOM 163 CA LEU A 13 -3.181 -1.432 -17.216 1.00 25.00 C ATOM 164 C LEU A 13 -2.141 -0.358 -16.878 1.00 25.00 C ATOM 165 O LEU A 13 -0.992 -0.632 -16.856 1.00 25.00 O ATOM 166 CB LEU A 13 -3.548 -1.351 -18.704 1.00 25.00 C ATOM 167 CG LEU A 13 -2.346 -1.355 -19.665 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.513 -2.605 -19.470 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.848 -1.244 -21.086 1.00 25.00 C ATOM 0 H LEU A 13 -5.246 -1.095 -16.952 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.747 -2.406 -16.991 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.196 -2.192 -18.951 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -4.127 -0.443 -18.872 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.704 -0.501 -19.452 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.668 -2.590 -20.158 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.145 -2.641 -18.444 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.126 -3.485 -19.667 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.001 -1.246 -21.772 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.498 -2.090 -21.309 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.407 -0.316 -21.203 1.00 25.00 H new ATOM 181 N TYR A 14 -2.547 0.859 -16.620 1.00 25.00 N ATOM 182 CA TYR A 14 -1.580 1.925 -16.340 1.00 25.00 C ATOM 183 C TYR A 14 -0.887 1.707 -14.994 1.00 25.00 C ATOM 184 O TYR A 14 0.241 2.108 -14.813 1.00 25.00 O ATOM 185 CB TYR A 14 -2.236 3.345 -16.403 1.00 25.00 C ATOM 186 CG TYR A 14 -3.648 3.454 -15.863 1.00 25.00 C ATOM 187 CD1 TYR A 14 -4.787 3.208 -16.692 1.00 25.00 C ATOM 188 CD2 TYR A 14 -3.901 3.821 -14.530 1.00 25.00 C ATOM 189 CE1 TYR A 14 -6.062 3.320 -16.221 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.209 3.862 -14.023 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.299 3.593 -14.867 1.00 25.00 C ATOM 192 OH TYR A 14 -7.585 3.534 -14.393 1.00 25.00 O ATOM 0 H TYR A 14 -3.525 1.148 -16.595 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.824 1.880 -17.124 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.603 4.040 -15.850 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.240 3.675 -17.442 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -4.633 2.925 -17.723 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -3.074 4.076 -13.884 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -6.896 3.197 -16.897 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -5.378 4.101 -12.983 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.591 3.746 -13.436 1.00 25.00 H new ATOM 202 N GLN A 15 -1.575 1.041 -14.053 1.00 25.00 N ATOM 203 CA GLN A 15 -1.029 0.753 -12.746 1.00 25.00 C ATOM 204 C GLN A 15 -0.064 -0.375 -12.843 1.00 25.00 C ATOM 205 O GLN A 15 0.979 -0.356 -12.222 1.00 25.00 O ATOM 206 CB GLN A 15 -2.139 0.382 -11.774 1.00 25.00 C ATOM 207 CG GLN A 15 -3.011 1.524 -11.359 1.00 25.00 C ATOM 208 CD GLN A 15 -3.802 1.169 -10.135 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.251 0.960 -9.075 1.00 25.00 O ATOM 210 NE2 GLN A 15 -5.096 1.095 -10.266 1.00 25.00 N ATOM 0 H GLN A 15 -2.524 0.693 -14.191 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.520 1.644 -12.379 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.762 -0.386 -12.231 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.692 -0.059 -10.883 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.398 2.403 -11.160 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.688 1.786 -12.172 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -5.528 1.277 -11.172 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.677 0.855 -9.463 1.00 25.00 H new ATOM 219 N LEU A 16 -0.372 -1.315 -13.777 1.00 25.00 N ATOM 220 CA LEU A 16 0.532 -2.410 -14.138 1.00 25.00 C ATOM 221 C LEU A 16 1.768 -1.858 -14.858 1.00 25.00 C ATOM 222 O LEU A 16 2.860 -2.280 -14.560 1.00 25.00 O ATOM 223 CB LEU A 16 -0.228 -3.372 -15.086 1.00 25.00 C ATOM 224 CG LEU A 16 0.332 -4.797 -15.242 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.775 -5.539 -16.048 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.672 -4.981 -16.010 1.00 25.00 C ATOM 0 H LEU A 16 -1.253 -1.324 -14.291 1.00 25.00 H new ATOM 0 HA LEU A 16 0.856 -2.934 -13.239 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -1.256 -3.450 -14.734 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.264 -2.913 -16.074 1.00 25.00 H new ATOM 0 HG LEU A 16 0.566 -5.161 -14.242 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.472 -6.573 -16.215 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.709 -5.520 -15.486 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.920 -5.044 -17.008 1.00 25.00 H new ATOM 0 HD21 LEU A 16 1.935 -6.039 -16.035 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.561 -4.610 -17.029 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.461 -4.424 -15.505 1.00 25.00 H new ATOM 238 N GLU A 17 1.586 -0.905 -15.757 1.00 25.00 N ATOM 239 CA GLU A 17 2.693 -0.253 -16.470 1.00 25.00 C ATOM 240 C GLU A 17 3.554 0.590 -15.516 1.00 25.00 C ATOM 241 O GLU A 17 4.738 0.772 -15.771 1.00 25.00 O ATOM 242 CB GLU A 17 2.167 0.632 -17.607 1.00 25.00 C ATOM 243 CG GLU A 17 1.635 -0.172 -18.789 1.00 25.00 C ATOM 244 CD GLU A 17 1.142 0.691 -19.951 1.00 25.00 C ATOM 245 OE1 GLU A 17 0.580 1.797 -19.739 1.00 25.00 O ATOM 246 OE2 GLU A 17 1.175 0.145 -21.090 1.00 25.00 O ATOM 0 H GLU A 17 0.665 -0.554 -16.020 1.00 25.00 H new ATOM 0 HA GLU A 17 3.314 -1.043 -16.893 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.373 1.273 -17.224 1.00 25.00 H new ATOM 0 HB3 GLU A 17 2.968 1.287 -17.951 1.00 25.00 H new ATOM 0 HG2 GLU A 17 2.422 -0.835 -19.149 1.00 25.00 H new ATOM 0 HG3 GLU A 17 0.817 -0.806 -18.447 1.00 25.00 H new ATOM 253 N ASN A 18 2.970 1.015 -14.393 1.00 25.00 N ATOM 254 CA ASN A 18 3.717 1.772 -13.406 1.00 25.00 C ATOM 255 C ASN A 18 4.748 0.861 -12.712 1.00 25.00 C ATOM 256 O ASN A 18 5.621 1.415 -12.009 1.00 25.00 O ATOM 257 CB ASN A 18 2.795 2.363 -12.331 1.00 25.00 C ATOM 258 CG ASN A 18 2.784 3.838 -12.353 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.525 4.487 -11.648 1.00 25.00 O ATOM 260 ND2 ASN A 18 1.921 4.404 -13.134 1.00 25.00 N ATOM 0 H ASN A 18 1.993 0.847 -14.153 1.00 25.00 H new ATOM 0 HA ASN A 18 4.216 2.586 -13.932 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.781 1.992 -12.481 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.118 2.019 -11.349 1.00 25.00 H new ATOM 0 HD21 ASN A 18 1.853 5.421 -13.166 1.00 25.00 H new ATOM 0 HD22 ASN A 18 1.309 3.833 -13.717 1.00 25.00 H new ATOM 267 N TYR A 19 4.670 -0.461 -12.854 1.00 25.00 N ATOM 268 CA TYR A 19 5.753 -1.320 -12.372 1.00 25.00 C ATOM 269 C TYR A 19 7.004 -1.061 -13.185 1.00 25.00 C ATOM 270 O TYR A 19 8.105 -1.150 -12.660 1.00 25.00 O ATOM 271 CB TYR A 19 5.478 -2.789 -12.572 1.00 25.00 C ATOM 272 CG TYR A 19 4.521 -3.409 -11.580 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.199 -2.932 -11.449 1.00 25.00 C ATOM 274 CD2 TYR A 19 4.923 -4.522 -10.763 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.290 -3.501 -10.528 1.00 25.00 C ATOM 276 CE2 TYR A 19 3.980 -5.128 -9.845 1.00 25.00 C ATOM 277 CZ TYR A 19 2.688 -4.607 -9.749 1.00 25.00 C ATOM 278 OH TYR A 19 1.761 -5.117 -8.892 1.00 25.00 O ATOM 0 H TYR A 19 3.889 -0.953 -13.288 1.00 25.00 H new ATOM 0 HA TYR A 19 5.855 -1.090 -11.311 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.079 -2.933 -13.576 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.424 -3.328 -12.525 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.873 -2.110 -12.069 1.00 25.00 H new ATOM 0 HD2 TYR A 19 5.930 -4.907 -10.834 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.297 -3.091 -10.422 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.273 -5.974 -9.241 1.00 25.00 H new ATOM 0 HH TYR A 19 1.351 -5.914 -9.289 1.00 25.00 H new ATOM 288 N CYS A 20 6.836 -0.808 -14.474 1.00 25.00 N ATOM 289 CA CYS A 20 7.980 -0.613 -15.371 1.00 25.00 C ATOM 290 C CYS A 20 8.641 0.701 -15.088 1.00 25.00 C ATOM 291 O CYS A 20 8.081 1.488 -14.339 1.00 25.00 O ATOM 292 CB CYS A 20 7.517 -0.606 -16.833 1.00 25.00 C ATOM 293 SG CYS A 20 8.272 -1.951 -17.779 1.00 25.00 S ATOM 0 H CYS A 20 5.925 -0.732 -14.927 1.00 25.00 H new ATOM 0 HA CYS A 20 8.680 -1.432 -15.204 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.432 -0.698 -16.872 1.00 25.00 H new ATOM 0 HB3 CYS A 20 7.772 0.349 -17.291 1.00 25.00 H new ATOM 298 N ASN A 21 9.792 0.938 -15.643 1.00 25.00 N ATOM 299 CA ASN A 21 10.539 2.174 -15.321 1.00 25.00 C ATOM 300 C ASN A 21 10.653 3.061 -16.539 1.00 25.00 C ATOM 301 O ASN A 21 10.914 4.269 -16.386 1.00 25.00 O ATOM 302 CB ASN A 21 11.920 1.852 -14.796 1.00 25.00 C ATOM 303 CG ASN A 21 11.901 1.128 -13.502 1.00 25.00 C ATOM 304 OD1 ASN A 21 11.181 1.433 -12.592 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.786 0.142 -13.399 1.00 25.00 N ATOM 306 OXT ASN A 21 10.744 2.483 -17.633 1.00 25.00 O ATOM 0 H ASN A 21 10.250 0.320 -16.313 1.00 25.00 H new ATOM 0 HA ASN A 21 9.984 2.703 -14.546 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.450 1.250 -15.534 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.482 2.779 -14.678 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.868 -0.381 -12.527 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.383 -0.092 -14.192 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.568 -6.249 -23.151 1.00 25.00 N ATOM 315 CA PHE B 1 -2.873 -6.873 -21.842 1.00 25.00 C ATOM 316 C PHE B 1 -4.326 -7.252 -21.771 1.00 25.00 C ATOM 317 O PHE B 1 -5.151 -6.570 -22.303 1.00 25.00 O ATOM 318 CB PHE B 1 -2.632 -5.847 -20.756 1.00 25.00 C ATOM 319 CG PHE B 1 -2.958 -6.360 -19.354 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.306 -7.496 -18.847 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.936 -5.719 -18.570 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.610 -7.972 -17.586 1.00 25.00 C ATOM 323 CE2 PHE B 1 -4.250 -6.185 -17.275 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.582 -7.323 -16.791 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.058 -5.356 -22.999 1.00 25.00 H new ATOM 0 H2 PHE B 1 -1.977 -6.894 -23.714 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.455 -6.059 -23.660 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.246 -7.756 -21.718 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.588 -5.534 -20.787 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.236 -4.963 -20.961 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.563 -8.000 -19.446 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.454 -4.858 -18.965 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.102 -8.846 -17.205 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.987 -5.678 -16.670 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.813 -7.703 -15.807 1.00 25.00 H new ATOM 336 N VAL B 2 -4.662 -8.382 -21.163 1.00 25.00 N ATOM 337 CA VAL B 2 -6.082 -8.763 -20.990 1.00 25.00 C ATOM 338 C VAL B 2 -6.233 -8.824 -19.441 1.00 25.00 C ATOM 339 O VAL B 2 -5.304 -9.229 -18.789 1.00 25.00 O ATOM 340 CB VAL B 2 -6.426 -10.127 -21.679 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.910 -10.556 -21.433 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.219 -10.067 -23.220 1.00 25.00 C ATOM 0 H VAL B 2 -3.992 -9.050 -20.782 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.772 -8.062 -21.460 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.746 -10.851 -21.230 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.101 -11.507 -21.930 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.085 -10.664 -20.363 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.580 -9.796 -21.835 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.469 -11.033 -23.659 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.865 -9.298 -23.644 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.178 -9.828 -23.438 1.00 25.00 H new ATOM 352 N ASN B 3 -7.308 -8.282 -18.878 1.00 25.00 N ATOM 353 CA ASN B 3 -7.469 -8.176 -17.446 1.00 25.00 C ATOM 354 C ASN B 3 -7.597 -9.556 -16.807 1.00 25.00 C ATOM 355 O ASN B 3 -8.255 -10.437 -17.305 1.00 25.00 O ATOM 356 CB ASN B 3 -8.674 -7.298 -17.012 1.00 25.00 C ATOM 357 CG ASN B 3 -9.970 -8.069 -16.942 1.00 25.00 C ATOM 358 OD1 ASN B 3 -10.360 -8.534 -15.907 1.00 25.00 O ATOM 359 ND2 ASN B 3 -10.653 -8.186 -18.065 1.00 25.00 N ATOM 0 H ASN B 3 -8.091 -7.904 -19.411 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.566 -7.679 -17.093 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.465 -6.860 -16.036 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.786 -6.472 -17.714 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.543 -8.685 -18.071 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.291 -7.778 -18.927 1.00 25.00 H new ATOM 366 N GLN B 4 -6.902 -9.678 -15.671 1.00 25.00 N ATOM 367 CA GLN B 4 -6.801 -10.927 -14.897 1.00 25.00 C ATOM 368 C GLN B 4 -6.803 -10.440 -13.467 1.00 25.00 C ATOM 369 O GLN B 4 -6.603 -9.247 -13.277 1.00 25.00 O ATOM 370 CB GLN B 4 -5.448 -11.621 -15.235 1.00 25.00 C ATOM 371 CG GLN B 4 -5.425 -12.318 -16.629 1.00 25.00 C ATOM 372 CD GLN B 4 -6.487 -13.351 -16.773 1.00 25.00 C ATOM 373 OE1 GLN B 4 -6.695 -14.153 -15.855 1.00 25.00 O ATOM 374 NE2 GLN B 4 -7.255 -13.278 -17.821 1.00 25.00 N ATOM 0 H GLN B 4 -6.386 -8.903 -15.255 1.00 25.00 H new ATOM 0 HA GLN B 4 -7.594 -11.647 -15.100 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -4.651 -10.878 -15.198 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -5.229 -12.362 -14.466 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -5.547 -11.566 -17.409 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -4.450 -12.781 -16.783 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.050 -12.603 -18.557 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.062 -13.896 -17.906 1.00 25.00 H new ATOM 383 N HIS B 5 -7.006 -11.322 -12.479 1.00 25.00 N ATOM 384 CA HIS B 5 -6.995 -10.853 -11.061 1.00 25.00 C ATOM 385 C HIS B 5 -5.540 -10.769 -10.568 1.00 25.00 C ATOM 386 O HIS B 5 -5.295 -10.321 -9.453 1.00 25.00 O ATOM 387 CB HIS B 5 -7.867 -11.782 -10.204 1.00 25.00 C ATOM 388 CG HIS B 5 -8.706 -11.084 -9.193 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.019 -10.717 -9.384 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.435 -10.711 -7.899 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.481 -10.107 -8.276 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.568 -10.105 -7.317 1.00 25.00 N ATOM 0 H HIS B 5 -7.173 -12.320 -12.609 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.423 -9.854 -10.979 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.518 -12.358 -10.862 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.221 -12.495 -9.691 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.490 -10.860 -7.399 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.467 -9.676 -8.182 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -9.663 -9.745 -6.367 1.00 25.00 H new ATOM 400 N LEU B 6 -4.611 -11.206 -11.402 1.00 25.00 N ATOM 401 CA LEU B 6 -3.188 -11.191 -11.112 1.00 25.00 C ATOM 402 C LEU B 6 -2.785 -11.979 -9.852 1.00 25.00 C ATOM 403 O LEU B 6 -3.464 -12.926 -9.489 1.00 25.00 O ATOM 404 CB LEU B 6 -2.597 -9.736 -11.099 1.00 25.00 C ATOM 405 CG LEU B 6 -2.975 -8.840 -12.309 1.00 25.00 C ATOM 406 CD1 LEU B 6 -2.511 -7.422 -12.120 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.364 -9.453 -13.556 1.00 25.00 C ATOM 0 H LEU B 6 -4.831 -11.590 -12.321 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.734 -11.728 -11.945 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.926 -9.239 -10.187 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.510 -9.806 -11.049 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.060 -8.797 -12.404 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.795 -6.827 -12.988 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.974 -7.004 -11.227 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -1.427 -7.406 -12.008 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -2.615 -8.841 -14.423 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -1.281 -9.498 -13.446 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -2.757 -10.460 -13.696 1.00 25.00 H new ATOM 419 N CYS B 7 -1.645 -11.600 -9.260 1.00 25.00 N ATOM 420 CA CYS B 7 -0.974 -12.267 -8.140 1.00 25.00 C ATOM 421 C CYS B 7 -0.494 -13.704 -8.558 1.00 25.00 C ATOM 422 O CYS B 7 -0.953 -14.285 -9.513 1.00 25.00 O ATOM 423 CB CYS B 7 -1.843 -12.258 -6.894 1.00 25.00 C ATOM 424 SG CYS B 7 -1.103 -11.368 -5.463 1.00 25.00 S ATOM 0 H CYS B 7 -1.138 -10.771 -9.569 1.00 25.00 H new ATOM 0 HA CYS B 7 -0.077 -11.705 -7.880 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -2.801 -11.799 -7.137 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -2.048 -13.288 -6.600 1.00 25.00 H new ATOM 429 N GLY B 8 0.499 -14.218 -7.812 1.00 25.00 N ATOM 430 CA GLY B 8 1.032 -15.536 -8.137 1.00 25.00 C ATOM 431 C GLY B 8 1.557 -15.554 -9.556 1.00 25.00 C ATOM 432 O GLY B 8 2.099 -14.580 -10.042 1.00 25.00 O ATOM 0 H GLY B 8 0.930 -13.756 -7.011 1.00 25.00 H new ATOM 0 HA2 GLY B 8 1.832 -15.794 -7.443 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.253 -16.290 -8.020 1.00 25.00 H new ATOM 436 N SER B 9 1.465 -16.694 -10.251 1.00 25.00 N ATOM 437 CA SER B 9 2.015 -16.812 -11.612 1.00 25.00 C ATOM 438 C SER B 9 1.412 -15.844 -12.613 1.00 25.00 C ATOM 439 O SER B 9 2.073 -15.453 -13.555 1.00 25.00 O ATOM 440 CB SER B 9 1.830 -18.229 -12.110 1.00 25.00 C ATOM 441 OG SER B 9 2.117 -19.156 -11.069 1.00 25.00 O ATOM 0 H SER B 9 1.020 -17.542 -9.900 1.00 25.00 H new ATOM 0 HA SER B 9 3.071 -16.554 -11.536 1.00 25.00 H new ATOM 0 HB2 SER B 9 0.807 -18.369 -12.460 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.486 -18.412 -12.961 1.00 25.00 H new ATOM 0 HG SER B 9 1.993 -20.070 -11.401 1.00 25.00 H new ATOM 447 N HIS B 10 0.148 -15.458 -12.404 1.00 25.00 N ATOM 448 CA HIS B 10 -0.560 -14.548 -13.320 1.00 25.00 C ATOM 449 C HIS B 10 0.098 -13.183 -13.368 1.00 25.00 C ATOM 450 O HIS B 10 0.022 -12.491 -14.383 1.00 25.00 O ATOM 451 CB HIS B 10 -2.034 -14.445 -12.935 1.00 25.00 C ATOM 452 CG HIS B 10 -2.784 -15.735 -13.094 1.00 25.00 C ATOM 453 ND1 HIS B 10 -4.017 -16.007 -12.554 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.479 -16.855 -13.811 1.00 25.00 C ATOM 455 CE1 HIS B 10 -4.368 -17.242 -12.908 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.449 -17.818 -13.653 1.00 25.00 N ATOM 0 H HIS B 10 -0.410 -15.762 -11.606 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.500 -14.965 -14.325 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.109 -14.115 -11.899 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.509 -13.679 -13.548 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -1.595 -16.970 -14.421 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.295 -17.714 -12.618 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -3.454 -18.766 -14.029 1.00 25.00 H new ATOM 464 N LEU B 11 0.758 -12.805 -12.278 1.00 25.00 N ATOM 465 CA LEU B 11 1.447 -11.505 -12.194 1.00 25.00 C ATOM 466 C LEU B 11 2.743 -11.562 -12.971 1.00 25.00 C ATOM 467 O LEU B 11 3.071 -10.591 -13.657 1.00 25.00 O ATOM 468 CB LEU B 11 1.792 -11.249 -10.702 1.00 25.00 C ATOM 469 CG LEU B 11 2.321 -9.845 -10.372 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.279 -8.746 -10.597 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.746 -9.803 -8.902 1.00 25.00 C ATOM 0 H LEU B 11 0.835 -13.375 -11.436 1.00 25.00 H new ATOM 0 HA LEU B 11 0.810 -10.719 -12.600 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.898 -11.430 -10.105 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.537 -11.981 -10.390 1.00 25.00 H new ATOM 0 HG LEU B 11 3.159 -9.656 -11.043 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.712 -7.777 -10.347 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.970 -8.746 -11.642 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.412 -8.931 -9.962 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.123 -8.809 -8.660 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.888 -10.030 -8.269 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.530 -10.540 -8.729 1.00 25.00 H new ATOM 483 N VAL B 12 3.430 -12.658 -12.878 1.00 25.00 N ATOM 484 CA VAL B 12 4.682 -12.840 -13.597 1.00 25.00 C ATOM 485 C VAL B 12 4.374 -12.835 -15.100 1.00 25.00 C ATOM 486 O VAL B 12 4.987 -12.076 -15.866 1.00 25.00 O ATOM 487 CB VAL B 12 5.347 -14.127 -13.150 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.655 -14.334 -13.902 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.605 -14.106 -11.637 1.00 25.00 C ATOM 0 H VAL B 12 3.152 -13.457 -12.308 1.00 25.00 H new ATOM 0 HA VAL B 12 5.381 -12.031 -13.383 1.00 25.00 H new ATOM 0 HB VAL B 12 4.676 -14.956 -13.375 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.122 -15.262 -13.571 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.455 -14.390 -14.972 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.326 -13.499 -13.702 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.083 -15.038 -11.336 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.257 -13.268 -11.391 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.658 -13.996 -11.108 1.00 25.00 H new ATOM 499 N GLU B 13 3.346 -13.600 -15.499 1.00 25.00 N ATOM 500 CA GLU B 13 2.897 -13.618 -16.885 1.00 25.00 C ATOM 501 C GLU B 13 2.403 -12.226 -17.381 1.00 25.00 C ATOM 502 O GLU B 13 2.736 -11.787 -18.466 1.00 25.00 O ATOM 503 CB GLU B 13 1.723 -14.605 -17.033 1.00 25.00 C ATOM 504 CG GLU B 13 2.096 -16.100 -17.139 1.00 25.00 C ATOM 505 CD GLU B 13 2.464 -16.471 -18.565 1.00 25.00 C ATOM 506 OE1 GLU B 13 3.506 -16.029 -19.044 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.644 -17.151 -19.235 1.00 25.00 O ATOM 0 H GLU B 13 2.816 -14.210 -14.877 1.00 25.00 H new ATOM 0 HA GLU B 13 3.758 -13.914 -17.485 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.059 -14.478 -16.178 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.155 -14.330 -17.922 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.933 -16.317 -16.476 1.00 25.00 H new ATOM 0 HG3 GLU B 13 1.258 -16.712 -16.805 1.00 25.00 H new ATOM 514 N ALA B 14 1.709 -11.463 -16.529 1.00 25.00 N ATOM 515 CA ALA B 14 1.224 -10.145 -16.912 1.00 25.00 C ATOM 516 C ALA B 14 2.367 -9.177 -17.171 1.00 25.00 C ATOM 517 O ALA B 14 2.379 -8.491 -18.204 1.00 25.00 O ATOM 518 CB ALA B 14 0.275 -9.593 -15.819 1.00 25.00 C ATOM 0 H ALA B 14 1.475 -11.739 -15.576 1.00 25.00 H new ATOM 0 HA ALA B 14 0.671 -10.248 -17.846 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.084 -8.607 -16.113 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.573 -10.267 -15.700 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.813 -9.517 -14.874 1.00 25.00 H new ATOM 524 N LEU B 15 3.338 -9.180 -16.282 1.00 25.00 N ATOM 525 CA LEU B 15 4.518 -8.348 -16.436 1.00 25.00 C ATOM 526 C LEU B 15 5.333 -8.675 -17.658 1.00 25.00 C ATOM 527 O LEU B 15 5.731 -7.778 -18.410 1.00 25.00 O ATOM 528 CB LEU B 15 5.419 -8.449 -15.219 1.00 25.00 C ATOM 529 CG LEU B 15 5.268 -7.374 -14.150 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.714 -6.022 -14.714 1.00 25.00 C ATOM 531 CD2 LEU B 15 3.829 -7.257 -13.618 1.00 25.00 C ATOM 0 H LEU B 15 3.335 -9.753 -15.438 1.00 25.00 H new ATOM 0 HA LEU B 15 4.136 -7.333 -16.550 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.247 -9.418 -14.750 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.453 -8.441 -15.563 1.00 25.00 H new ATOM 0 HG LEU B 15 5.899 -7.667 -13.311 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.605 -5.254 -13.948 1.00 25.00 H new ATOM 0 HD12 LEU B 15 6.758 -6.083 -15.021 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.097 -5.765 -15.575 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.784 -6.475 -12.860 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.157 -7.006 -14.439 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.525 -8.207 -13.178 1.00 25.00 H new ATOM 543 N TYR B 16 5.515 -9.964 -17.909 1.00 25.00 N ATOM 544 CA TYR B 16 6.251 -10.445 -19.083 1.00 25.00 C ATOM 545 C TYR B 16 5.595 -9.992 -20.362 1.00 25.00 C ATOM 546 O TYR B 16 6.236 -9.556 -21.287 1.00 25.00 O ATOM 547 CB TYR B 16 6.314 -11.989 -19.025 1.00 25.00 C ATOM 548 CG TYR B 16 7.183 -12.617 -20.128 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.578 -12.667 -20.003 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.592 -13.185 -21.280 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.382 -13.270 -21.031 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.409 -13.761 -22.322 1.00 25.00 C ATOM 553 CZ TYR B 16 8.804 -13.824 -22.163 1.00 25.00 C ATOM 554 OH TYR B 16 9.620 -14.389 -23.094 1.00 25.00 O ATOM 0 H TYR B 16 5.160 -10.709 -17.310 1.00 25.00 H new ATOM 0 HA TYR B 16 7.258 -10.029 -19.071 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.703 -12.291 -18.053 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.302 -12.388 -19.101 1.00 25.00 H new ATOM 0 HD1 TYR B 16 9.053 -12.249 -19.128 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.517 -13.188 -21.382 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.456 -13.292 -20.919 1.00 25.00 H new ATOM 0 HE2 TYR B 16 6.949 -14.143 -23.222 1.00 25.00 H new ATOM 0 HH TYR B 16 9.080 -14.738 -23.833 1.00 25.00 H new ATOM 564 N LEU B 17 4.258 -10.061 -20.381 1.00 25.00 N ATOM 565 CA LEU B 17 3.531 -9.669 -21.588 1.00 25.00 C ATOM 566 C LEU B 17 3.555 -8.141 -21.816 1.00 25.00 C ATOM 567 O LEU B 17 3.611 -7.688 -22.942 1.00 25.00 O ATOM 568 CB LEU B 17 2.097 -10.129 -21.534 1.00 25.00 C ATOM 569 CG LEU B 17 1.810 -11.632 -21.767 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.385 -11.940 -21.381 1.00 25.00 C ATOM 571 CD2 LEU B 17 2.023 -12.050 -23.250 1.00 25.00 C ATOM 0 H LEU B 17 3.677 -10.373 -19.603 1.00 25.00 H new ATOM 0 HA LEU B 17 4.043 -10.153 -22.420 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.696 -9.859 -20.557 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.536 -9.562 -22.277 1.00 25.00 H new ATOM 0 HG LEU B 17 2.512 -12.194 -21.150 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.184 -12.999 -21.546 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.233 -11.701 -20.328 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.294 -11.343 -21.990 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.809 -13.113 -23.363 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.353 -11.475 -23.890 1.00 25.00 H new ATOM 0 HD23 LEU B 17 3.056 -11.855 -23.538 1.00 25.00 H new ATOM 583 N VAL B 18 3.421 -7.368 -20.754 1.00 25.00 N ATOM 584 CA VAL B 18 3.288 -5.928 -20.901 1.00 25.00 C ATOM 585 C VAL B 18 4.603 -5.187 -21.018 1.00 25.00 C ATOM 586 O VAL B 18 4.815 -4.420 -21.922 1.00 25.00 O ATOM 587 CB VAL B 18 2.471 -5.363 -19.764 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.417 -3.762 -19.879 1.00 25.00 C ATOM 589 CG2 VAL B 18 1.016 -5.899 -19.853 1.00 25.00 C ATOM 0 H VAL B 18 3.401 -7.706 -19.792 1.00 25.00 H new ATOM 0 HA VAL B 18 2.776 -5.773 -21.851 1.00 25.00 H new ATOM 0 HB VAL B 18 2.930 -5.660 -18.821 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.827 -3.358 -19.057 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.429 -3.359 -19.831 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.959 -3.481 -20.827 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.427 -5.491 -19.032 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.574 -5.596 -20.802 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.024 -6.987 -19.787 1.00 25.00 H new ATOM 599 N CYS B 19 5.543 -5.460 -20.110 1.00 25.00 N ATOM 600 CA CYS B 19 6.859 -4.782 -20.150 1.00 25.00 C ATOM 601 C CYS B 19 7.761 -5.495 -21.181 1.00 25.00 C ATOM 602 O CYS B 19 8.675 -4.908 -21.731 1.00 25.00 O ATOM 603 CB CYS B 19 7.538 -4.716 -18.794 1.00 25.00 C ATOM 604 SG CYS B 19 6.956 -3.457 -17.627 1.00 25.00 S ATOM 0 H CYS B 19 5.431 -6.130 -19.349 1.00 25.00 H new ATOM 0 HA CYS B 19 6.690 -3.747 -20.448 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.433 -5.691 -18.317 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.603 -4.555 -18.959 1.00 25.00 H new ATOM 609 N GLY B 20 7.556 -6.824 -21.386 1.00 25.00 N ATOM 610 CA GLY B 20 8.461 -7.588 -22.235 1.00 25.00 C ATOM 611 C GLY B 20 9.356 -8.468 -21.383 1.00 25.00 C ATOM 612 O GLY B 20 9.056 -8.717 -20.229 1.00 25.00 O ATOM 0 H GLY B 20 6.790 -7.361 -20.980 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.889 -8.203 -22.930 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.069 -6.910 -22.835 1.00 25.00 H new ATOM 616 N GLU B 21 10.496 -8.895 -21.887 1.00 25.00 N ATOM 617 CA GLU B 21 11.430 -9.783 -21.120 1.00 25.00 C ATOM 618 C GLU B 21 12.163 -9.074 -19.997 1.00 25.00 C ATOM 619 O GLU B 21 12.814 -9.679 -19.189 1.00 25.00 O ATOM 620 CB GLU B 21 12.471 -10.381 -22.118 1.00 25.00 C ATOM 621 CG GLU B 21 12.951 -11.773 -21.688 1.00 25.00 C ATOM 622 CD GLU B 21 14.088 -12.335 -22.531 1.00 25.00 C ATOM 623 OE1 GLU B 21 14.480 -11.644 -23.488 1.00 25.00 O ATOM 624 OE2 GLU B 21 14.602 -13.431 -22.209 1.00 25.00 O ATOM 0 H GLU B 21 10.823 -8.657 -22.823 1.00 25.00 H new ATOM 0 HA GLU B 21 10.826 -10.559 -20.650 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.026 -10.442 -23.111 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.327 -9.710 -22.193 1.00 25.00 H new ATOM 0 HG2 GLU B 21 13.274 -11.727 -20.648 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.109 -12.463 -21.730 1.00 25.00 H new ATOM 631 N ARG B 22 12.110 -7.729 -19.988 1.00 25.00 N ATOM 632 CA ARG B 22 12.783 -6.930 -18.944 1.00 25.00 C ATOM 633 C ARG B 22 11.737 -5.966 -18.462 1.00 25.00 C ATOM 634 O ARG B 22 10.873 -5.567 -19.245 1.00 25.00 O ATOM 635 CB ARG B 22 13.990 -6.189 -19.500 1.00 25.00 C ATOM 636 CG ARG B 22 15.064 -7.070 -19.957 1.00 25.00 C ATOM 637 CD ARG B 22 16.391 -6.286 -20.119 1.00 25.00 C ATOM 638 NE ARG B 22 17.419 -7.260 -20.508 1.00 25.00 N ATOM 639 CZ ARG B 22 18.718 -7.038 -20.456 1.00 25.00 C ATOM 640 NH1 ARG B 22 19.220 -5.897 -20.109 1.00 25.00 N ATOM 641 NH2 ARG B 22 19.526 -7.994 -20.775 1.00 25.00 N ATOM 0 H ARG B 22 11.613 -7.175 -20.685 1.00 25.00 H new ATOM 0 HA ARG B 22 13.167 -7.559 -18.140 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.668 -5.562 -20.332 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.381 -5.523 -18.731 1.00 25.00 H new ATOM 0 HG2 ARG B 22 15.202 -7.882 -19.244 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.787 -7.525 -20.908 1.00 25.00 H new ATOM 0 HD2 ARG B 22 16.290 -5.509 -20.876 1.00 25.00 H new ATOM 0 HD3 ARG B 22 16.662 -5.790 -19.187 1.00 25.00 H new ATOM 0 HE ARG B 22 17.107 -8.172 -20.842 1.00 25.00 H new ATOM 0 HH11 ARG B 22 18.604 -5.123 -19.861 1.00 25.00 H new ATOM 0 HH12 ARG B 22 20.232 -5.772 -20.083 1.00 25.00 H new ATOM 0 HH21 ARG B 22 19.156 -8.901 -21.061 1.00 25.00 H new ATOM 0 HH22 ARG B 22 20.534 -7.842 -20.741 1.00 25.00 H new ATOM 655 N GLY B 23 11.820 -5.569 -17.214 1.00 25.00 N ATOM 656 CA GLY B 23 10.838 -4.654 -16.657 1.00 25.00 C ATOM 657 C GLY B 23 10.427 -5.005 -15.241 1.00 25.00 C ATOM 658 O GLY B 23 9.684 -4.277 -14.609 1.00 25.00 O ATOM 0 H GLY B 23 12.551 -5.860 -16.564 1.00 25.00 H new ATOM 0 HA2 GLY B 23 11.245 -3.643 -16.670 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.954 -4.649 -17.294 1.00 25.00 H new ATOM 662 N PHE B 24 10.913 -6.113 -14.726 1.00 25.00 N ATOM 663 CA PHE B 24 10.633 -6.459 -13.331 1.00 25.00 C ATOM 664 C PHE B 24 11.721 -7.399 -12.806 1.00 25.00 C ATOM 665 O PHE B 24 12.424 -8.033 -13.621 1.00 25.00 O ATOM 666 CB PHE B 24 9.245 -7.158 -13.202 1.00 25.00 C ATOM 667 CG PHE B 24 9.214 -8.582 -13.724 1.00 25.00 C ATOM 668 CD1 PHE B 24 9.081 -8.842 -15.112 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.280 -9.676 -12.838 1.00 25.00 C ATOM 670 CE1 PHE B 24 9.047 -10.153 -15.587 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.224 -11.015 -13.310 1.00 25.00 C ATOM 672 CZ PHE B 24 9.128 -11.258 -14.704 1.00 25.00 C ATOM 0 H PHE B 24 11.493 -6.783 -15.231 1.00 25.00 H new ATOM 0 HA PHE B 24 10.620 -5.540 -12.745 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.949 -7.161 -12.153 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.503 -6.569 -13.741 1.00 25.00 H new ATOM 0 HD1 PHE B 24 9.005 -8.018 -15.807 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.375 -9.493 -11.778 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.957 -10.329 -16.649 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.254 -11.840 -12.614 1.00 25.00 H new ATOM 0 HZ PHE B 24 9.117 -12.268 -15.086 1.00 25.00 H new ATOM 682 N PHE B 25 11.841 -7.494 -11.481 1.00 25.00 N ATOM 683 CA PHE B 25 12.733 -8.495 -10.843 1.00 25.00 C ATOM 684 C PHE B 25 12.043 -9.176 -9.678 1.00 25.00 C ATOM 685 O PHE B 25 11.902 -8.567 -8.637 1.00 25.00 O ATOM 686 CB PHE B 25 14.085 -7.887 -10.400 1.00 25.00 C ATOM 687 CG PHE B 25 15.022 -8.902 -9.751 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.126 -10.230 -10.221 1.00 25.00 C ATOM 689 CD2 PHE B 25 15.810 -8.534 -8.618 1.00 25.00 C ATOM 690 CE1 PHE B 25 15.946 -11.169 -9.635 1.00 25.00 C ATOM 691 CE2 PHE B 25 16.678 -9.510 -8.001 1.00 25.00 C ATOM 692 CZ PHE B 25 16.760 -10.806 -8.530 1.00 25.00 C ATOM 0 H PHE B 25 11.340 -6.899 -10.822 1.00 25.00 H new ATOM 0 HA PHE B 25 12.954 -9.245 -11.602 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.580 -7.449 -11.267 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.897 -7.076 -9.697 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.537 -10.522 -11.078 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.757 -7.530 -8.224 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.970 -12.179 -10.015 1.00 25.00 H new ATOM 0 HE2 PHE B 25 17.263 -9.242 -7.134 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.440 -11.525 -8.098 1.00 25.00 H new HETATM 702 N NVA B 26 11.636 -10.429 -9.951 1.00 25.00 N HETATM 703 CA NVA B 26 11.097 -11.323 -8.924 1.00 25.00 C HETATM 704 CB NVA B 26 9.612 -11.741 -9.232 1.00 25.00 C HETATM 705 CG NVA B 26 8.945 -12.394 -7.988 1.00 25.00 C HETATM 706 CD NVA B 26 7.697 -13.235 -8.286 1.00 25.00 C HETATM 707 C NVA B 26 12.050 -12.531 -8.707 1.00 25.00 C HETATM 708 O NVA B 26 12.369 -13.304 -9.612 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.680 -13.027 -7.491 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.674 -11.607 -7.285 1.00 25.00 H new HETATM 0 HD3 NVA B 26 6.938 -12.607 -8.752 1.00 25.00 H new HETATM 0 HD2 NVA B 26 7.960 -14.049 -8.962 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.040 -10.865 -9.537 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.594 -12.441 -10.068 1.00 25.00 H new HETATM 0 HA NVA B 26 11.050 -10.783 -7.978 1.00 25.00 H new ATOM 717 N THR B 27 12.592 -12.606 -7.464 1.00 25.00 N ATOM 718 CA THR B 27 13.439 -13.712 -7.041 1.00 25.00 C ATOM 719 C THR B 27 12.595 -14.966 -7.049 1.00 25.00 C ATOM 720 O THR B 27 11.407 -14.864 -6.955 1.00 25.00 O ATOM 721 CB THR B 27 13.925 -13.517 -5.628 1.00 25.00 C ATOM 722 OG1 THR B 27 12.807 -13.209 -4.786 1.00 25.00 O ATOM 723 CG2 THR B 27 14.889 -12.340 -5.522 1.00 25.00 C ATOM 0 H THR B 27 12.446 -11.899 -6.744 1.00 25.00 H new ATOM 0 HA THR B 27 14.295 -13.774 -7.713 1.00 25.00 H new ATOM 0 HB THR B 27 14.429 -14.435 -5.327 1.00 25.00 H new ATOM 0 HG1 THR B 27 13.116 -13.083 -3.865 1.00 25.00 H new ATOM 0 HG21 THR B 27 15.218 -12.231 -4.488 1.00 25.00 H new ATOM 0 HG22 THR B 27 15.754 -12.519 -6.161 1.00 25.00 H new ATOM 0 HG23 THR B 27 14.385 -11.427 -5.841 1.00 25.00 H new ATOM 731 N PRO B 28 13.219 -16.149 -7.201 1.00 25.00 N ATOM 732 CA PRO B 28 12.363 -17.330 -7.223 1.00 25.00 C ATOM 733 C PRO B 28 11.500 -17.449 -5.962 1.00 25.00 C ATOM 734 O PRO B 28 11.914 -17.225 -4.814 1.00 25.00 O ATOM 735 CB PRO B 28 13.374 -18.483 -7.363 1.00 25.00 C ATOM 736 CG PRO B 28 14.639 -17.861 -7.948 1.00 25.00 C ATOM 737 CD PRO B 28 14.652 -16.490 -7.318 1.00 25.00 C ATOM 0 HA PRO B 28 11.629 -17.312 -8.029 1.00 25.00 H new ATOM 0 HB2 PRO B 28 13.577 -18.944 -6.396 1.00 25.00 H new ATOM 0 HB3 PRO B 28 12.986 -19.266 -8.015 1.00 25.00 H new ATOM 0 HG2 PRO B 28 15.529 -18.434 -7.690 1.00 25.00 H new ATOM 0 HG3 PRO B 28 14.599 -17.807 -9.036 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.143 -16.500 -6.345 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.187 -15.769 -7.937 1.00 25.00 H new HETATM 745 N HIX B 29 10.216 -17.791 -6.270 1.00 25.00 N HETATM 746 CA HIX B 29 9.153 -17.982 -5.285 1.00 25.00 C HETATM 747 C HIX B 29 9.286 -19.401 -4.739 1.00 25.00 C HETATM 748 O HIX B 29 8.861 -20.412 -5.317 1.00 25.00 O HETATM 749 CB HIX B 29 7.777 -17.778 -5.956 1.00 25.00 C HETATM 750 CG HIX B 29 7.618 -16.309 -6.341 1.00 25.00 C HETATM 751 CD2 HIX B 29 7.842 -15.709 -7.465 1.00 25.00 C HETATM 752 ND1 HIX B 29 7.240 -15.372 -5.423 1.00 25.00 N HETATM 753 NE1 HIX B 29 7.045 -14.075 -6.018 1.00 25.00 N HETATM 754 NE2 HIX B 29 7.612 -14.373 -7.323 1.00 25.00 N ATOM 762 N THR B 30 10.076 -19.517 -3.640 1.00 25.00 N ATOM 763 CA THR B 30 10.521 -20.798 -3.036 1.00 25.00 C ATOM 764 C THR B 30 9.641 -21.166 -1.839 1.00 25.00 C ATOM 765 O THR B 30 8.823 -20.314 -1.420 1.00 25.00 O ATOM 766 CB THR B 30 11.967 -20.723 -2.619 1.00 25.00 C ATOM 767 OG1 THR B 30 12.180 -19.485 -1.957 1.00 25.00 O ATOM 768 CG2 THR B 30 12.892 -20.777 -3.830 1.00 25.00 C ATOM 769 OXT THR B 30 9.772 -22.312 -1.359 1.00 25.00 O ATOM 0 H THR B 30 10.429 -18.702 -3.138 1.00 25.00 H new ATOM 0 HA THR B 30 10.423 -21.577 -3.792 1.00 25.00 H new ATOM 0 HB THR B 30 12.185 -21.570 -1.968 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.117 -19.421 -1.677 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.929 -20.721 -3.499 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.733 -21.712 -4.368 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.676 -19.937 -4.490 1.00 25.00 H new TER 777 THR B 30