USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: B 4 GLN : amide:sc= 0.66 K(o=1.4,f=-1.4) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.694 K(o=1.4,f=-4.2!) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.649 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.733 K(o=1.4,f=0.53) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.29) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -64:sc= 1.25 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.12) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.467 K(o=-0.47,f=-3.3!) USER MOD Single : B 5 HIS : no HE2:sc= 0.26 K(o=0.26,f=-2.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0642 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : B 30 THR OG1 : rot 44:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.720 -1.608 -1.565 1.00 25.00 N ATOM 2 CA GLY A 1 2.117 -0.277 -2.113 1.00 25.00 C ATOM 3 C GLY A 1 1.227 0.208 -3.237 1.00 25.00 C ATOM 4 O GLY A 1 0.021 0.286 -3.138 1.00 25.00 O ATOM 0 H1 GLY A 1 2.372 -1.877 -0.800 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.751 -1.555 -1.191 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.761 -2.321 -2.321 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.102 0.457 -1.307 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.144 -0.334 -2.473 1.00 25.00 H new ATOM 9 N ILE A 2 1.835 0.468 -4.403 1.00 25.00 N ATOM 10 CA ILE A 2 1.097 0.898 -5.589 1.00 25.00 C ATOM 11 C ILE A 2 0.207 -0.250 -6.115 1.00 25.00 C ATOM 12 O ILE A 2 -0.740 -0.020 -6.861 1.00 25.00 O ATOM 13 CB ILE A 2 2.078 1.423 -6.692 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.358 2.412 -7.630 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.711 0.252 -7.495 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.062 3.799 -6.989 1.00 25.00 C ATOM 0 H ILE A 2 2.842 0.386 -4.546 1.00 25.00 H new ATOM 0 HA ILE A 2 0.443 1.726 -5.314 1.00 25.00 H new ATOM 0 HB ILE A 2 2.890 1.952 -6.194 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.968 2.559 -8.522 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.418 1.967 -7.956 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.386 0.653 -8.251 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.268 -0.395 -6.817 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.923 -0.324 -7.980 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.555 4.434 -7.715 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.425 3.667 -6.114 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.999 4.268 -6.688 1.00 25.00 H new ATOM 28 N VAL A 3 0.462 -1.465 -5.623 1.00 25.00 N ATOM 29 CA VAL A 3 -0.389 -2.619 -5.914 1.00 25.00 C ATOM 30 C VAL A 3 -1.810 -2.324 -5.452 1.00 25.00 C ATOM 31 O VAL A 3 -2.788 -2.609 -6.155 1.00 25.00 O ATOM 32 CB VAL A 3 0.143 -3.879 -5.164 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.805 -5.083 -5.319 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.548 -4.246 -5.663 1.00 25.00 C ATOM 0 H VAL A 3 1.256 -1.674 -5.018 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.378 -2.810 -6.987 1.00 25.00 H new ATOM 0 HB VAL A 3 0.192 -3.630 -4.104 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.397 -5.939 -4.782 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.783 -4.831 -4.910 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.907 -5.333 -6.375 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.905 -5.127 -5.130 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.511 -4.459 -6.731 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.227 -3.413 -5.483 1.00 25.00 H new ATOM 44 N GLU A 4 -1.933 -1.701 -4.284 1.00 25.00 N ATOM 45 CA GLU A 4 -3.236 -1.367 -3.728 1.00 25.00 C ATOM 46 C GLU A 4 -3.981 -0.415 -4.658 1.00 25.00 C ATOM 47 O GLU A 4 -5.161 -0.589 -4.912 1.00 25.00 O ATOM 48 CB GLU A 4 -3.050 -0.757 -2.341 1.00 25.00 C ATOM 49 CG GLU A 4 -4.331 -0.669 -1.544 1.00 25.00 C ATOM 50 CD GLU A 4 -4.105 -0.155 -0.148 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.740 0.961 0.092 1.00 25.00 O ATOM 52 OE2 GLU A 4 -4.346 -1.028 0.772 1.00 25.00 O ATOM 0 H GLU A 4 -1.143 -1.417 -3.704 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.838 -2.271 -3.633 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.326 -1.353 -1.785 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.627 0.242 -2.446 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.032 -0.014 -2.060 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.793 -1.655 -1.495 1.00 25.00 H new ATOM 60 N GLN A 5 -3.281 0.580 -5.177 1.00 25.00 N ATOM 61 CA GLN A 5 -3.895 1.532 -6.096 1.00 25.00 C ATOM 62 C GLN A 5 -4.307 0.866 -7.398 1.00 25.00 C ATOM 63 O GLN A 5 -5.422 1.091 -7.891 1.00 25.00 O ATOM 64 CB GLN A 5 -2.933 2.687 -6.375 1.00 25.00 C ATOM 65 CG GLN A 5 -2.584 3.515 -5.142 1.00 25.00 C ATOM 66 CD GLN A 5 -3.807 4.150 -4.512 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.453 3.554 -3.663 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.135 5.344 -4.932 1.00 25.00 N ATOM 0 H GLN A 5 -2.295 0.752 -4.982 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.797 1.920 -5.622 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.014 2.286 -6.803 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.375 3.341 -7.126 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.089 2.879 -4.408 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.874 4.295 -5.419 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.569 5.808 -5.643 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.957 5.811 -4.549 1.00 25.00 H new ATOM 77 N CYS A 6 -3.430 0.032 -7.942 1.00 25.00 N ATOM 78 CA CYS A 6 -3.684 -0.644 -9.210 1.00 25.00 C ATOM 79 C CYS A 6 -4.857 -1.620 -9.062 1.00 25.00 C ATOM 80 O CYS A 6 -5.559 -1.940 -10.030 1.00 25.00 O ATOM 81 CB CYS A 6 -2.410 -1.374 -9.641 1.00 25.00 C ATOM 82 SG CYS A 6 -2.192 -1.632 -11.433 1.00 25.00 S ATOM 0 H CYS A 6 -2.529 -0.194 -7.521 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.954 0.084 -9.975 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.552 -0.813 -9.269 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.391 -2.347 -9.151 1.00 25.00 H new ATOM 87 N CYS A 7 -5.070 -2.086 -7.839 1.00 25.00 N ATOM 88 CA CYS A 7 -6.179 -2.968 -7.527 1.00 25.00 C ATOM 89 C CYS A 7 -7.498 -2.213 -7.316 1.00 25.00 C ATOM 90 O CYS A 7 -8.507 -2.577 -7.907 1.00 25.00 O ATOM 91 CB CYS A 7 -5.853 -3.768 -6.262 1.00 25.00 C ATOM 92 SG CYS A 7 -7.113 -5.014 -5.832 1.00 25.00 S ATOM 0 H CYS A 7 -4.478 -1.862 -7.039 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.313 -3.629 -8.383 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.893 -4.267 -6.397 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.739 -3.077 -5.426 1.00 25.00 H new ATOM 97 N THR A 8 -7.494 -1.203 -6.460 1.00 25.00 N ATOM 98 CA THR A 8 -8.733 -0.503 -6.105 1.00 25.00 C ATOM 99 C THR A 8 -9.233 0.447 -7.205 1.00 25.00 C ATOM 100 O THR A 8 -10.436 0.684 -7.329 1.00 25.00 O ATOM 101 CB THR A 8 -8.565 0.257 -4.746 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.840 0.687 -4.259 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.689 1.501 -4.873 1.00 25.00 C ATOM 0 H THR A 8 -6.657 -0.847 -5.998 1.00 25.00 H new ATOM 0 HA THR A 8 -9.500 -1.269 -5.995 1.00 25.00 H new ATOM 0 HB THR A 8 -8.090 -0.448 -4.063 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.723 1.159 -3.408 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.607 1.989 -3.902 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.697 1.213 -5.220 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.138 2.190 -5.588 1.00 25.00 H new ATOM 111 N SER A 9 -8.331 0.963 -8.032 1.00 25.00 N ATOM 112 CA SER A 9 -8.717 1.869 -9.124 1.00 25.00 C ATOM 113 C SER A 9 -8.451 1.149 -10.433 1.00 25.00 C ATOM 114 O SER A 9 -7.908 0.051 -10.438 1.00 25.00 O ATOM 115 CB SER A 9 -7.939 3.184 -9.069 1.00 25.00 C ATOM 116 OG SER A 9 -6.573 2.995 -9.391 1.00 25.00 O ATOM 0 H SER A 9 -7.330 0.775 -7.973 1.00 25.00 H new ATOM 0 HA SER A 9 -9.772 2.126 -9.030 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.382 3.899 -9.763 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.022 3.615 -8.071 1.00 25.00 H new ATOM 0 HG SER A 9 -6.152 2.428 -8.712 1.00 25.00 H new ATOM 122 N ILE A 10 -8.843 1.756 -11.538 1.00 25.00 N ATOM 123 CA ILE A 10 -8.587 1.165 -12.835 1.00 25.00 C ATOM 124 C ILE A 10 -7.182 1.606 -13.225 1.00 25.00 C ATOM 125 O ILE A 10 -6.894 2.798 -13.351 1.00 25.00 O ATOM 126 CB ILE A 10 -9.616 1.645 -13.904 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.028 1.099 -13.597 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.178 1.209 -15.312 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.238 -0.391 -13.915 1.00 25.00 C ATOM 0 H ILE A 10 -9.335 2.649 -11.563 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.679 0.080 -12.786 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.651 2.734 -13.868 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.241 1.262 -12.541 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.756 1.681 -14.163 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.909 1.553 -16.043 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.204 1.642 -15.541 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.110 0.122 -15.351 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.260 -0.676 -13.664 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.063 -0.565 -14.977 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.540 -0.990 -13.330 1.00 25.00 H new ATOM 141 N CYS A 11 -6.296 0.638 -13.382 1.00 25.00 N ATOM 142 CA CYS A 11 -4.916 0.928 -13.736 1.00 25.00 C ATOM 143 C CYS A 11 -4.870 1.267 -15.225 1.00 25.00 C ATOM 144 O CYS A 11 -5.712 0.789 -16.003 1.00 25.00 O ATOM 145 CB CYS A 11 -4.018 -0.264 -13.419 1.00 25.00 C ATOM 146 SG CYS A 11 -2.625 0.143 -12.310 1.00 25.00 S ATOM 0 H CYS A 11 -6.506 -0.354 -13.270 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.548 1.773 -13.153 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.619 -1.049 -12.960 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.623 -0.669 -14.351 1.00 25.00 H new ATOM 151 N SER A 12 -3.917 2.109 -15.609 1.00 25.00 N ATOM 152 CA SER A 12 -3.808 2.573 -16.992 1.00 25.00 C ATOM 153 C SER A 12 -2.422 2.297 -17.542 1.00 25.00 C ATOM 154 O SER A 12 -1.468 2.150 -16.773 1.00 25.00 O ATOM 155 CB SER A 12 -4.091 4.076 -17.047 1.00 25.00 C ATOM 156 OG SER A 12 -4.698 4.505 -15.846 1.00 25.00 O ATOM 0 H SER A 12 -3.206 2.486 -14.982 1.00 25.00 H new ATOM 0 HA SER A 12 -4.536 2.036 -17.600 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.162 4.622 -17.208 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.743 4.300 -17.892 1.00 25.00 H new ATOM 0 HG SER A 12 -4.872 5.468 -15.893 1.00 25.00 H new ATOM 162 N LEU A 13 -2.304 2.260 -18.861 1.00 25.00 N ATOM 163 CA LEU A 13 -1.033 1.947 -19.522 1.00 25.00 C ATOM 164 C LEU A 13 0.098 2.855 -19.070 1.00 25.00 C ATOM 165 O LEU A 13 1.181 2.391 -18.778 1.00 25.00 O ATOM 166 CB LEU A 13 -1.206 2.070 -21.038 1.00 25.00 C ATOM 167 CG LEU A 13 -1.931 0.911 -21.735 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.403 1.334 -23.128 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.011 -0.290 -21.854 1.00 25.00 C ATOM 0 H LEU A 13 -3.075 2.443 -19.503 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.764 0.928 -19.245 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.752 2.990 -21.247 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.219 2.176 -21.488 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.799 0.640 -21.133 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.915 0.500 -23.608 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.088 2.177 -23.040 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.543 1.626 -23.730 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.538 -1.105 -22.350 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.132 -0.018 -22.438 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.701 -0.611 -20.859 1.00 25.00 H new ATOM 181 N TYR A 14 -0.177 4.144 -18.957 1.00 25.00 N ATOM 182 CA TYR A 14 0.832 5.115 -18.532 1.00 25.00 C ATOM 183 C TYR A 14 1.329 4.837 -17.115 1.00 25.00 C ATOM 184 O TYR A 14 2.515 4.962 -16.815 1.00 25.00 O ATOM 185 CB TYR A 14 0.253 6.522 -18.592 1.00 25.00 C ATOM 186 CG TYR A 14 -0.915 6.602 -19.536 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.712 6.594 -20.938 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.238 6.677 -19.054 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.808 6.657 -21.827 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.333 6.729 -19.950 1.00 25.00 C ATOM 191 CZ TYR A 14 -3.111 6.722 -21.332 1.00 25.00 C ATOM 192 OH TYR A 14 -4.175 6.760 -22.196 1.00 25.00 O ATOM 0 H TYR A 14 -1.093 4.549 -19.153 1.00 25.00 H new ATOM 0 HA TYR A 14 1.679 5.026 -19.212 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -0.063 6.828 -17.595 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.027 7.221 -18.910 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.292 6.539 -21.332 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.418 6.695 -17.989 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.637 6.655 -22.893 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.342 6.774 -19.566 1.00 25.00 H new ATOM 0 HH TYR A 14 -5.010 6.803 -21.685 1.00 25.00 H new ATOM 202 N GLN A 15 0.416 4.443 -16.248 1.00 25.00 N ATOM 203 CA GLN A 15 0.782 4.154 -14.861 1.00 25.00 C ATOM 204 C GLN A 15 1.654 2.913 -14.827 1.00 25.00 C ATOM 205 O GLN A 15 2.637 2.870 -14.127 1.00 25.00 O ATOM 206 CB GLN A 15 -0.450 3.907 -13.992 1.00 25.00 C ATOM 207 CG GLN A 15 -1.463 5.033 -14.002 1.00 25.00 C ATOM 208 CD GLN A 15 -2.408 4.951 -12.826 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.994 5.032 -11.685 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.670 4.752 -13.096 1.00 25.00 N ATOM 0 H GLN A 15 -0.572 4.315 -16.467 1.00 25.00 H new ATOM 0 HA GLN A 15 1.315 5.019 -14.467 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.939 2.993 -14.329 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.126 3.736 -12.965 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.942 5.990 -13.983 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.034 4.999 -14.930 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.980 4.690 -14.066 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.345 4.659 -12.337 1.00 25.00 H new ATOM 219 N LEU A 16 1.310 1.913 -15.623 1.00 25.00 N ATOM 220 CA LEU A 16 2.109 0.690 -15.662 1.00 25.00 C ATOM 221 C LEU A 16 3.497 0.974 -16.244 1.00 25.00 C ATOM 222 O LEU A 16 4.500 0.507 -15.719 1.00 25.00 O ATOM 223 CB LEU A 16 1.392 -0.380 -16.483 1.00 25.00 C ATOM 224 CG LEU A 16 0.020 -0.835 -15.955 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.648 -1.714 -17.016 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.124 -1.597 -14.634 1.00 25.00 C ATOM 0 H LEU A 16 0.499 1.918 -16.242 1.00 25.00 H new ATOM 0 HA LEU A 16 2.235 0.322 -14.644 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.261 -0.003 -17.497 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.041 -1.253 -16.549 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.579 0.054 -15.758 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.622 -2.044 -16.655 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.777 -1.141 -17.935 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.022 -2.583 -17.215 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.872 -1.895 -14.306 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.741 -2.485 -14.774 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.578 -0.955 -13.879 1.00 25.00 H new ATOM 238 N GLU A 17 3.559 1.789 -17.289 1.00 25.00 N ATOM 239 CA GLU A 17 4.835 2.177 -17.891 1.00 25.00 C ATOM 240 C GLU A 17 5.695 2.957 -16.897 1.00 25.00 C ATOM 241 O GLU A 17 6.899 2.816 -16.900 1.00 25.00 O ATOM 242 CB GLU A 17 4.600 3.029 -19.142 1.00 25.00 C ATOM 243 CG GLU A 17 4.110 2.216 -20.329 1.00 25.00 C ATOM 244 CD GLU A 17 3.795 3.070 -21.519 1.00 25.00 C ATOM 245 OE1 GLU A 17 2.840 3.803 -21.585 1.00 25.00 O ATOM 246 OE2 GLU A 17 4.648 2.954 -22.470 1.00 25.00 O ATOM 0 H GLU A 17 2.740 2.197 -17.741 1.00 25.00 H new ATOM 0 HA GLU A 17 5.362 1.265 -18.170 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.870 3.806 -18.914 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.528 3.533 -19.412 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.870 1.484 -20.602 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.219 1.658 -20.040 1.00 25.00 H new ATOM 254 N ASN A 18 5.064 3.736 -16.018 1.00 25.00 N ATOM 255 CA ASN A 18 5.790 4.452 -14.958 1.00 25.00 C ATOM 256 C ASN A 18 6.467 3.512 -13.942 1.00 25.00 C ATOM 257 O ASN A 18 7.372 3.938 -13.229 1.00 25.00 O ATOM 258 CB ASN A 18 4.828 5.384 -14.190 1.00 25.00 C ATOM 259 CG ASN A 18 4.889 6.810 -14.684 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.731 7.587 -14.285 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.990 7.156 -15.566 1.00 25.00 N ATOM 0 H ASN A 18 4.056 3.890 -16.015 1.00 25.00 H new ATOM 0 HA ASN A 18 6.572 5.021 -15.461 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.809 5.011 -14.290 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.074 5.360 -13.128 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.982 8.105 -15.941 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.296 6.478 -15.880 1.00 25.00 H new ATOM 268 N TYR A 19 6.035 2.248 -13.863 1.00 25.00 N ATOM 269 CA TYR A 19 6.654 1.312 -12.910 1.00 25.00 C ATOM 270 C TYR A 19 7.823 0.601 -13.582 1.00 25.00 C ATOM 271 O TYR A 19 8.462 -0.270 -12.992 1.00 25.00 O ATOM 272 CB TYR A 19 5.673 0.223 -12.452 1.00 25.00 C ATOM 273 CG TYR A 19 4.301 0.677 -11.981 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.059 1.967 -11.476 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.222 -0.231 -12.037 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.756 2.355 -11.064 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.921 0.146 -11.634 1.00 25.00 C ATOM 278 CZ TYR A 19 1.697 1.438 -11.154 1.00 25.00 C ATOM 279 OH TYR A 19 0.436 1.797 -10.765 1.00 25.00 O ATOM 0 H TYR A 19 5.282 1.855 -14.428 1.00 25.00 H new ATOM 0 HA TYR A 19 6.973 1.900 -12.049 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.533 -0.474 -13.278 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.141 -0.334 -11.641 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.874 2.672 -11.400 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.394 -1.235 -12.395 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.581 3.350 -10.683 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.106 -0.560 -11.697 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.174 1.041 -10.896 1.00 25.00 H new ATOM 289 N CYS A 20 8.021 0.923 -14.849 1.00 25.00 N ATOM 290 CA CYS A 20 8.949 0.197 -15.700 1.00 25.00 C ATOM 291 C CYS A 20 9.955 1.154 -16.348 1.00 25.00 C ATOM 292 O CYS A 20 9.934 2.353 -16.115 1.00 25.00 O ATOM 293 CB CYS A 20 8.159 -0.552 -16.780 1.00 25.00 C ATOM 294 SG CYS A 20 8.934 -2.115 -17.294 1.00 25.00 S ATOM 0 H CYS A 20 7.544 1.694 -15.316 1.00 25.00 H new ATOM 0 HA CYS A 20 9.507 -0.516 -15.092 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.156 -0.759 -16.407 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.049 0.093 -17.651 1.00 25.00 H new ATOM 299 N ASN A 21 10.840 0.596 -17.176 1.00 25.00 N ATOM 300 CA ASN A 21 11.833 1.402 -17.898 1.00 25.00 C ATOM 301 C ASN A 21 11.179 2.287 -18.960 1.00 25.00 C ATOM 302 O ASN A 21 10.529 1.868 -19.898 1.00 25.00 O ATOM 303 CB ASN A 21 12.925 0.522 -18.535 1.00 25.00 C ATOM 304 CG ASN A 21 13.514 -0.436 -17.544 1.00 25.00 C ATOM 305 OD1 ASN A 21 13.481 -1.622 -17.703 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.088 0.084 -16.470 1.00 25.00 N ATOM 307 OXT ASN A 21 11.389 3.547 -18.791 1.00 25.00 O ATOM 0 H ASN A 21 10.892 -0.405 -17.364 1.00 25.00 H new ATOM 0 HA ASN A 21 12.306 2.050 -17.160 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.502 -0.034 -19.371 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.713 1.157 -18.940 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.507 -0.527 -15.769 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.111 1.096 -16.343 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.076 -4.073 -25.590 1.00 25.00 N ATOM 317 CA PHE B 1 -5.103 -3.867 -24.111 1.00 25.00 C ATOM 318 C PHE B 1 -6.466 -3.466 -23.536 1.00 25.00 C ATOM 319 O PHE B 1 -7.194 -2.655 -24.058 1.00 25.00 O ATOM 320 CB PHE B 1 -4.049 -2.800 -23.746 1.00 25.00 C ATOM 321 CG PHE B 1 -3.836 -2.624 -22.257 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.634 -1.730 -21.541 1.00 25.00 C ATOM 323 CD2 PHE B 1 -2.839 -3.340 -21.597 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.435 -1.569 -20.169 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.643 -3.180 -20.231 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.439 -2.293 -19.510 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.116 -4.341 -25.886 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.741 -4.830 -25.847 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.352 -3.192 -26.068 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.879 -4.834 -23.661 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.100 -3.070 -24.208 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.352 -1.844 -24.174 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.403 -1.165 -22.047 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.214 -4.024 -22.152 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -5.055 -0.881 -19.614 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.872 -3.744 -19.727 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.287 -2.166 -18.448 1.00 25.00 H new ATOM 337 N VAL B 2 -6.804 -4.072 -22.390 1.00 25.00 N ATOM 338 CA VAL B 2 -8.064 -3.769 -21.697 1.00 25.00 C ATOM 339 C VAL B 2 -7.759 -3.136 -20.344 1.00 25.00 C ATOM 340 O VAL B 2 -7.123 -3.753 -19.483 1.00 25.00 O ATOM 341 CB VAL B 2 -8.918 -5.043 -21.484 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.255 -4.705 -20.799 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.196 -5.726 -22.832 1.00 25.00 C ATOM 0 H VAL B 2 -6.226 -4.772 -21.925 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.633 -3.079 -22.320 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.355 -5.719 -20.840 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.835 -5.618 -20.662 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.061 -4.249 -19.828 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.817 -4.009 -21.421 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -9.797 -6.621 -22.669 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.736 -5.039 -23.483 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.252 -6.004 -23.301 1.00 25.00 H new ATOM 353 N ASN B 3 -8.215 -1.905 -20.150 1.00 25.00 N ATOM 354 CA ASN B 3 -8.042 -1.184 -18.893 1.00 25.00 C ATOM 355 C ASN B 3 -8.924 -1.861 -17.844 1.00 25.00 C ATOM 356 O ASN B 3 -10.114 -2.080 -18.063 1.00 25.00 O ATOM 357 CB ASN B 3 -8.432 0.304 -19.058 1.00 25.00 C ATOM 358 CG ASN B 3 -9.859 0.481 -19.546 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.210 0.046 -20.632 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.672 1.125 -18.762 1.00 25.00 N ATOM 0 H ASN B 3 -8.717 -1.375 -20.862 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.998 -1.211 -18.582 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.312 0.816 -18.103 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.749 0.779 -19.762 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.639 1.281 -19.047 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.343 1.474 -17.862 1.00 25.00 H new ATOM 367 N GLN B 4 -8.330 -2.230 -16.716 1.00 25.00 N ATOM 368 CA GLN B 4 -9.039 -3.003 -15.701 1.00 25.00 C ATOM 369 C GLN B 4 -8.374 -2.827 -14.335 1.00 25.00 C ATOM 370 O GLN B 4 -7.286 -2.248 -14.228 1.00 25.00 O ATOM 371 CB GLN B 4 -9.023 -4.485 -16.110 1.00 25.00 C ATOM 372 CG GLN B 4 -7.612 -5.065 -16.189 1.00 25.00 C ATOM 373 CD GLN B 4 -7.584 -6.483 -16.699 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.525 -7.437 -15.930 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.598 -6.632 -17.999 1.00 25.00 N ATOM 0 H GLN B 4 -7.363 -2.008 -16.480 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.068 -2.650 -15.626 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.607 -5.061 -15.392 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.510 -4.595 -17.079 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.004 -4.438 -16.841 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.156 -5.032 -15.200 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.648 -5.814 -18.606 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.559 -7.567 -18.406 1.00 25.00 H new ATOM 384 N HIS B 5 -9.008 -3.373 -13.311 1.00 25.00 N ATOM 385 CA HIS B 5 -8.401 -3.452 -11.989 1.00 25.00 C ATOM 386 C HIS B 5 -7.376 -4.581 -12.034 1.00 25.00 C ATOM 387 O HIS B 5 -7.654 -5.631 -12.618 1.00 25.00 O ATOM 388 CB HIS B 5 -9.475 -3.789 -10.959 1.00 25.00 C ATOM 389 CG HIS B 5 -10.461 -2.683 -10.748 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.216 -1.610 -9.900 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.691 -2.436 -11.265 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.250 -0.787 -9.938 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.155 -1.269 -10.743 1.00 25.00 N ATOM 0 H HIS B 5 -9.946 -3.770 -13.368 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.933 -2.506 -11.716 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.007 -4.685 -11.279 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.996 -4.025 -10.009 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.374 -1.478 -9.339 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.214 -3.062 -11.973 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.332 0.139 -9.388 1.00 25.00 H new ATOM 402 N LEU B 6 -6.205 -4.372 -11.450 1.00 25.00 N ATOM 403 CA LEU B 6 -5.151 -5.384 -11.445 1.00 25.00 C ATOM 404 C LEU B 6 -4.701 -5.608 -10.003 1.00 25.00 C ATOM 405 O LEU B 6 -4.102 -4.735 -9.387 1.00 25.00 O ATOM 406 CB LEU B 6 -3.956 -4.917 -12.290 1.00 25.00 C ATOM 407 CG LEU B 6 -4.182 -4.542 -13.764 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.957 -3.836 -14.293 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.464 -5.745 -14.627 1.00 25.00 C ATOM 0 H LEU B 6 -5.957 -3.507 -10.970 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.534 -6.311 -11.871 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.522 -4.049 -11.793 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.206 -5.708 -12.264 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.056 -3.891 -13.804 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.114 -3.569 -15.338 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.778 -2.932 -13.710 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.094 -4.496 -14.213 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.616 -5.426 -15.658 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.619 -6.432 -14.581 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.361 -6.249 -14.267 1.00 25.00 H new ATOM 421 N CYS B 7 -5.009 -6.771 -9.453 1.00 25.00 N ATOM 422 CA CYS B 7 -4.721 -7.046 -8.045 1.00 25.00 C ATOM 423 C CYS B 7 -3.702 -8.170 -7.857 1.00 25.00 C ATOM 424 O CYS B 7 -2.608 -7.933 -7.369 1.00 25.00 O ATOM 425 CB CYS B 7 -6.020 -7.418 -7.323 1.00 25.00 C ATOM 426 SG CYS B 7 -7.319 -6.159 -7.488 1.00 25.00 S ATOM 0 H CYS B 7 -5.456 -7.540 -9.952 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.287 -6.140 -7.623 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.389 -8.365 -7.718 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.808 -7.575 -6.265 1.00 25.00 H new ATOM 431 N GLY B 8 -4.070 -9.392 -8.236 1.00 25.00 N ATOM 432 CA GLY B 8 -3.167 -10.528 -8.111 1.00 25.00 C ATOM 433 C GLY B 8 -2.233 -10.623 -9.304 1.00 25.00 C ATOM 434 O GLY B 8 -1.798 -9.604 -9.820 1.00 25.00 O ATOM 0 H GLY B 8 -4.983 -9.618 -8.630 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -2.583 -10.432 -7.196 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.746 -11.448 -8.025 1.00 25.00 H new ATOM 438 N SER B 9 -1.998 -11.837 -9.795 1.00 25.00 N ATOM 439 CA SER B 9 -1.126 -12.084 -10.959 1.00 25.00 C ATOM 440 C SER B 9 -1.513 -11.352 -12.249 1.00 25.00 C ATOM 441 O SER B 9 -0.766 -11.345 -13.221 1.00 25.00 O ATOM 442 CB SER B 9 -1.080 -13.595 -11.220 1.00 25.00 C ATOM 443 OG SER B 9 -1.141 -14.283 -9.985 1.00 25.00 O ATOM 0 H SER B 9 -2.405 -12.686 -9.401 1.00 25.00 H new ATOM 0 HA SER B 9 -0.151 -11.677 -10.692 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.914 -13.892 -11.857 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.165 -13.857 -11.751 1.00 25.00 H new ATOM 0 HG SER B 9 -1.114 -15.249 -10.147 1.00 25.00 H new ATOM 449 N HIS B 10 -2.648 -10.672 -12.249 1.00 25.00 N ATOM 450 CA HIS B 10 -3.000 -9.791 -13.350 1.00 25.00 C ATOM 451 C HIS B 10 -1.939 -8.682 -13.487 1.00 25.00 C ATOM 452 O HIS B 10 -1.665 -8.223 -14.593 1.00 25.00 O ATOM 453 CB HIS B 10 -4.361 -9.150 -13.090 1.00 25.00 C ATOM 454 CG HIS B 10 -5.518 -10.012 -13.500 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.594 -9.547 -14.261 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.784 -11.334 -13.289 1.00 25.00 C ATOM 457 CE1 HIS B 10 -7.438 -10.554 -14.456 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.973 -11.633 -13.883 1.00 25.00 N ATOM 0 H HIS B 10 -3.340 -10.713 -11.501 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.043 -10.375 -14.269 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.448 -8.920 -12.028 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.416 -8.203 -13.627 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -6.711 -8.595 -14.608 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.158 -12.025 -12.744 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.366 -10.491 -15.004 1.00 25.00 H new ATOM 467 N LEU B 11 -1.354 -8.258 -12.378 1.00 25.00 N ATOM 468 CA LEU B 11 -0.346 -7.196 -12.393 1.00 25.00 C ATOM 469 C LEU B 11 0.916 -7.641 -13.106 1.00 25.00 C ATOM 470 O LEU B 11 1.369 -6.971 -14.017 1.00 25.00 O ATOM 471 CB LEU B 11 -0.006 -6.749 -10.969 1.00 25.00 C ATOM 472 CG LEU B 11 -0.453 -5.313 -10.626 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.447 -5.133 -9.131 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.434 -4.261 -11.293 1.00 25.00 C ATOM 0 H LEU B 11 -1.557 -8.631 -11.451 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.771 -6.353 -12.938 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.471 -7.439 -10.264 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.072 -6.825 -10.825 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.462 -5.170 -11.012 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.762 -4.119 -8.885 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.133 -5.847 -8.676 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.559 -5.303 -8.748 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.082 -3.265 -11.024 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.463 -4.386 -10.956 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.390 -4.381 -12.375 1.00 25.00 H new ATOM 486 N VAL B 12 1.487 -8.774 -12.698 1.00 25.00 N ATOM 487 CA VAL B 12 2.720 -9.276 -13.313 1.00 25.00 C ATOM 488 C VAL B 12 2.502 -9.531 -14.821 1.00 25.00 C ATOM 489 O VAL B 12 3.374 -9.239 -15.627 1.00 25.00 O ATOM 490 CB VAL B 12 3.284 -10.545 -12.545 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.306 -11.715 -12.576 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.614 -11.000 -13.107 1.00 25.00 C ATOM 0 H VAL B 12 1.120 -9.360 -11.949 1.00 25.00 H new ATOM 0 HA VAL B 12 3.491 -8.510 -13.223 1.00 25.00 H new ATOM 0 HB VAL B 12 3.423 -10.229 -11.511 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.734 -12.561 -12.038 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.370 -11.420 -12.102 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.114 -12.002 -13.610 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.964 -11.871 -12.553 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.494 -11.263 -14.158 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.342 -10.194 -13.015 1.00 25.00 H new ATOM 502 N GLU B 13 1.308 -9.985 -15.202 1.00 25.00 N ATOM 503 CA GLU B 13 0.985 -10.158 -16.619 1.00 25.00 C ATOM 504 C GLU B 13 0.934 -8.818 -17.353 1.00 25.00 C ATOM 505 O GLU B 13 1.456 -8.687 -18.458 1.00 25.00 O ATOM 506 CB GLU B 13 -0.369 -10.835 -16.785 1.00 25.00 C ATOM 507 CG GLU B 13 -0.315 -12.347 -16.782 1.00 25.00 C ATOM 508 CD GLU B 13 -1.610 -12.954 -17.230 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.644 -12.833 -16.616 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.526 -13.605 -18.347 1.00 25.00 O ATOM 0 H GLU B 13 0.557 -10.237 -14.559 1.00 25.00 H new ATOM 0 HA GLU B 13 1.774 -10.777 -17.045 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.028 -10.505 -15.982 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.816 -10.501 -17.721 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.489 -12.683 -17.437 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.077 -12.700 -15.779 1.00 25.00 H new ATOM 518 N ALA B 14 0.289 -7.825 -16.760 1.00 25.00 N ATOM 519 CA ALA B 14 0.141 -6.534 -17.413 1.00 25.00 C ATOM 520 C ALA B 14 1.502 -5.878 -17.597 1.00 25.00 C ATOM 521 O ALA B 14 1.782 -5.310 -18.640 1.00 25.00 O ATOM 522 CB ALA B 14 -0.771 -5.646 -16.593 1.00 25.00 C ATOM 0 H ALA B 14 -0.137 -7.887 -15.835 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.304 -6.681 -18.397 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.878 -4.680 -17.087 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.750 -6.117 -16.500 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.342 -5.501 -15.601 1.00 25.00 H new ATOM 528 N LEU B 15 2.347 -5.988 -16.592 1.00 25.00 N ATOM 529 CA LEU B 15 3.685 -5.414 -16.665 1.00 25.00 C ATOM 530 C LEU B 15 4.548 -6.180 -17.661 1.00 25.00 C ATOM 531 O LEU B 15 5.301 -5.584 -18.422 1.00 25.00 O ATOM 532 CB LEU B 15 4.317 -5.383 -15.271 1.00 25.00 C ATOM 533 CG LEU B 15 3.583 -4.518 -14.225 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.278 -4.594 -12.876 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.501 -3.078 -14.678 1.00 25.00 C ATOM 0 H LEU B 15 2.137 -6.467 -15.716 1.00 25.00 H new ATOM 0 HA LEU B 15 3.613 -4.388 -17.025 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.375 -6.405 -14.895 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.340 -5.019 -15.364 1.00 25.00 H new ATOM 0 HG LEU B 15 2.572 -4.911 -14.122 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.742 -3.976 -12.155 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.289 -5.628 -12.530 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.302 -4.233 -12.973 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.979 -2.489 -13.924 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.507 -2.682 -14.816 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.957 -3.024 -15.621 1.00 25.00 H new ATOM 547 N TYR B 16 4.397 -7.492 -17.708 1.00 25.00 N ATOM 548 CA TYR B 16 5.127 -8.291 -18.682 1.00 25.00 C ATOM 549 C TYR B 16 4.793 -7.832 -20.093 1.00 25.00 C ATOM 550 O TYR B 16 5.694 -7.659 -20.927 1.00 25.00 O ATOM 551 CB TYR B 16 4.752 -9.765 -18.522 1.00 25.00 C ATOM 552 CG TYR B 16 5.304 -10.648 -19.614 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.649 -11.060 -19.593 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.481 -11.074 -20.685 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.178 -11.874 -20.625 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.999 -11.898 -21.703 1.00 25.00 C ATOM 557 CZ TYR B 16 6.341 -12.288 -21.673 1.00 25.00 C ATOM 558 OH TYR B 16 6.864 -13.078 -22.661 1.00 25.00 O ATOM 0 H TYR B 16 3.783 -8.024 -17.091 1.00 25.00 H new ATOM 0 HA TYR B 16 6.196 -8.166 -18.511 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.116 -10.122 -17.558 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.666 -9.856 -18.506 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.288 -10.751 -18.778 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.447 -10.764 -20.721 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.216 -12.173 -20.605 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.359 -12.229 -22.507 1.00 25.00 H new ATOM 0 HH TYR B 16 6.167 -13.286 -23.317 1.00 25.00 H new ATOM 568 N LEU B 17 3.511 -7.599 -20.347 1.00 25.00 N ATOM 569 CA LEU B 17 3.062 -7.148 -21.661 1.00 25.00 C ATOM 570 C LEU B 17 3.476 -5.708 -21.977 1.00 25.00 C ATOM 571 O LEU B 17 3.864 -5.420 -23.100 1.00 25.00 O ATOM 572 CB LEU B 17 1.536 -7.261 -21.741 1.00 25.00 C ATOM 573 CG LEU B 17 0.960 -8.688 -21.775 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.538 -8.620 -21.560 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.270 -9.379 -23.104 1.00 25.00 C ATOM 0 H LEU B 17 2.764 -7.714 -19.662 1.00 25.00 H new ATOM 0 HA LEU B 17 3.543 -7.790 -22.399 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.109 -6.740 -20.884 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.200 -6.735 -22.635 1.00 25.00 H new ATOM 0 HG LEU B 17 1.424 -9.274 -20.981 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.955 -9.627 -21.583 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.746 -8.163 -20.593 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.992 -8.022 -22.350 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.850 -10.385 -23.098 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.831 -8.808 -23.922 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.350 -9.437 -23.241 1.00 25.00 H new ATOM 587 N VAL B 18 3.356 -4.803 -21.011 1.00 25.00 N ATOM 588 CA VAL B 18 3.605 -3.386 -21.281 1.00 25.00 C ATOM 589 C VAL B 18 5.107 -3.088 -21.403 1.00 25.00 C ATOM 590 O VAL B 18 5.501 -2.192 -22.126 1.00 25.00 O ATOM 591 CB VAL B 18 2.915 -2.449 -20.216 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.808 -2.211 -18.973 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.535 -1.113 -20.858 1.00 25.00 C ATOM 0 H VAL B 18 3.093 -5.017 -20.049 1.00 25.00 H new ATOM 0 HA VAL B 18 3.147 -3.164 -22.245 1.00 25.00 H new ATOM 0 HB VAL B 18 2.014 -2.958 -19.872 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.288 -1.560 -18.270 1.00 25.00 H new ATOM 0 HG12 VAL B 18 4.024 -3.165 -18.492 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.742 -1.740 -19.281 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.059 -0.474 -20.114 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.432 -0.623 -21.237 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.842 -1.289 -21.681 1.00 25.00 H new ATOM 603 N CYS B 19 5.928 -3.836 -20.675 1.00 25.00 N ATOM 604 CA CYS B 19 7.371 -3.631 -20.705 1.00 25.00 C ATOM 605 C CYS B 19 7.994 -4.407 -21.860 1.00 25.00 C ATOM 606 O CYS B 19 8.878 -3.925 -22.550 1.00 25.00 O ATOM 607 CB CYS B 19 8.016 -4.088 -19.390 1.00 25.00 C ATOM 608 SG CYS B 19 7.368 -3.250 -17.910 1.00 25.00 S ATOM 0 H CYS B 19 5.620 -4.588 -20.058 1.00 25.00 H new ATOM 0 HA CYS B 19 7.552 -2.565 -20.840 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.868 -5.162 -19.280 1.00 25.00 H new ATOM 0 HB3 CYS B 19 9.091 -3.919 -19.448 1.00 25.00 H new ATOM 613 N GLY B 20 7.539 -5.634 -22.038 1.00 25.00 N ATOM 614 CA GLY B 20 8.035 -6.457 -23.128 1.00 25.00 C ATOM 615 C GLY B 20 9.269 -7.217 -22.709 1.00 25.00 C ATOM 616 O GLY B 20 10.329 -7.098 -23.323 1.00 25.00 O ATOM 0 H GLY B 20 6.835 -6.080 -21.450 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.261 -7.157 -23.442 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.265 -5.829 -23.988 1.00 25.00 H new ATOM 620 N GLU B 21 9.131 -7.972 -21.624 1.00 25.00 N ATOM 621 CA GLU B 21 10.205 -8.811 -21.051 1.00 25.00 C ATOM 622 C GLU B 21 11.392 -8.014 -20.481 1.00 25.00 C ATOM 623 O GLU B 21 12.379 -8.590 -20.049 1.00 25.00 O ATOM 624 CB GLU B 21 10.688 -9.820 -22.093 1.00 25.00 C ATOM 625 CG GLU B 21 11.100 -11.173 -21.519 1.00 25.00 C ATOM 626 CD GLU B 21 11.640 -12.097 -22.576 1.00 25.00 C ATOM 627 OE1 GLU B 21 12.273 -11.727 -23.529 1.00 25.00 O ATOM 628 OE2 GLU B 21 11.352 -13.353 -22.360 1.00 25.00 O ATOM 0 H GLU B 21 8.257 -8.026 -21.100 1.00 25.00 H new ATOM 0 HA GLU B 21 9.765 -9.330 -20.199 1.00 25.00 H new ATOM 0 HB2 GLU B 21 9.895 -9.976 -22.824 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.536 -9.393 -22.628 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.856 -11.024 -20.748 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.240 -11.638 -21.037 1.00 25.00 H new ATOM 636 N ARG B 22 11.275 -6.688 -20.430 1.00 25.00 N ATOM 637 CA ARG B 22 12.335 -5.865 -19.838 1.00 25.00 C ATOM 638 C ARG B 22 12.474 -6.136 -18.346 1.00 25.00 C ATOM 639 O ARG B 22 13.566 -6.054 -17.790 1.00 25.00 O ATOM 640 CB ARG B 22 12.046 -4.365 -20.009 1.00 25.00 C ATOM 641 CG ARG B 22 11.932 -3.884 -21.442 1.00 25.00 C ATOM 642 CD ARG B 22 13.259 -3.885 -22.199 1.00 25.00 C ATOM 643 NE ARG B 22 13.550 -5.199 -22.805 1.00 25.00 N ATOM 644 CZ ARG B 22 13.032 -5.664 -23.936 1.00 25.00 C ATOM 645 NH1 ARG B 22 12.185 -4.966 -24.652 1.00 25.00 N ATOM 646 NH2 ARG B 22 13.376 -6.849 -24.353 1.00 25.00 N ATOM 0 H ARG B 22 10.473 -6.166 -20.784 1.00 25.00 H new ATOM 0 HA ARG B 22 13.254 -6.131 -20.360 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.117 -4.130 -19.490 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.838 -3.801 -19.516 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.221 -4.517 -21.973 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.523 -2.874 -21.445 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.232 -3.124 -22.979 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.065 -3.614 -21.517 1.00 25.00 H new ATOM 0 HE ARG B 22 14.207 -5.803 -22.312 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.904 -4.035 -24.345 1.00 25.00 H new ATOM 0 HH12 ARG B 22 11.807 -5.354 -25.516 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.036 -7.408 -23.812 1.00 25.00 H new ATOM 0 HH22 ARG B 22 12.985 -7.218 -25.220 1.00 25.00 H new ATOM 660 N GLY B 23 11.359 -6.466 -17.706 1.00 25.00 N ATOM 661 CA GLY B 23 11.364 -6.749 -16.277 1.00 25.00 C ATOM 662 C GLY B 23 10.888 -5.531 -15.504 1.00 25.00 C ATOM 663 O GLY B 23 10.764 -4.450 -16.073 1.00 25.00 O ATOM 0 H GLY B 23 10.445 -6.544 -18.151 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.717 -7.600 -16.064 1.00 25.00 H new ATOM 0 HA3 GLY B 23 12.369 -7.024 -15.956 1.00 25.00 H new ATOM 667 N PHE B 24 10.517 -5.734 -14.246 1.00 25.00 N ATOM 668 CA PHE B 24 9.865 -4.706 -13.433 1.00 25.00 C ATOM 669 C PHE B 24 9.904 -5.226 -11.991 1.00 25.00 C ATOM 670 O PHE B 24 10.338 -6.350 -11.759 1.00 25.00 O ATOM 671 CB PHE B 24 8.404 -4.552 -13.879 1.00 25.00 C ATOM 672 CG PHE B 24 7.714 -5.867 -14.117 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.137 -6.571 -13.047 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.680 -6.423 -15.409 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.539 -7.823 -13.259 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.095 -7.685 -15.629 1.00 25.00 C ATOM 677 CZ PHE B 24 6.522 -8.384 -14.555 1.00 25.00 C ATOM 0 H PHE B 24 10.659 -6.617 -13.756 1.00 25.00 H new ATOM 0 HA PHE B 24 10.359 -3.739 -13.530 1.00 25.00 H new ATOM 0 HB2 PHE B 24 7.856 -3.994 -13.120 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.371 -3.961 -14.794 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.154 -6.146 -12.054 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.106 -5.878 -16.238 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.093 -8.356 -12.433 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.087 -8.113 -16.620 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.068 -9.350 -14.720 1.00 25.00 H new ATOM 687 N PHE B 25 9.427 -4.429 -11.046 1.00 25.00 N ATOM 688 CA PHE B 25 9.356 -4.843 -9.653 1.00 25.00 C ATOM 689 C PHE B 25 7.975 -5.417 -9.356 1.00 25.00 C ATOM 690 O PHE B 25 6.950 -4.747 -9.525 1.00 25.00 O ATOM 691 CB PHE B 25 9.617 -3.654 -8.724 1.00 25.00 C ATOM 692 CG PHE B 25 9.735 -4.030 -7.266 1.00 25.00 C ATOM 693 CD1 PHE B 25 8.581 -4.290 -6.485 1.00 25.00 C ATOM 694 CD2 PHE B 25 11.004 -4.134 -6.664 1.00 25.00 C ATOM 695 CE1 PHE B 25 8.706 -4.648 -5.115 1.00 25.00 C ATOM 696 CE2 PHE B 25 11.138 -4.490 -5.296 1.00 25.00 C ATOM 697 CZ PHE B 25 9.992 -4.759 -4.524 1.00 25.00 C ATOM 0 H PHE B 25 9.081 -3.485 -11.221 1.00 25.00 H new ATOM 0 HA PHE B 25 10.118 -5.603 -9.480 1.00 25.00 H new ATOM 0 HB2 PHE B 25 10.535 -3.157 -9.036 1.00 25.00 H new ATOM 0 HB3 PHE B 25 8.809 -2.932 -8.838 1.00 25.00 H new ATOM 0 HD1 PHE B 25 7.601 -4.216 -6.933 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.889 -3.940 -7.252 1.00 25.00 H new ATOM 0 HE1 PHE B 25 7.822 -4.836 -4.523 1.00 25.00 H new ATOM 0 HE2 PHE B 25 12.119 -4.554 -4.848 1.00 25.00 H new ATOM 0 HZ PHE B 25 10.091 -5.048 -3.488 1.00 25.00 H new HETATM 707 N NVA B 26 7.997 -6.654 -8.870 1.00 25.00 N HETATM 708 CA NVA B 26 6.824 -7.373 -8.309 1.00 25.00 C HETATM 709 CB NVA B 26 6.360 -8.594 -9.165 1.00 25.00 C HETATM 710 CG NVA B 26 7.339 -9.812 -9.129 1.00 25.00 C HETATM 711 CD NVA B 26 6.738 -11.062 -9.859 1.00 25.00 C HETATM 712 C NVA B 26 7.079 -7.756 -6.844 1.00 25.00 C HETATM 713 O NVA B 26 8.196 -7.789 -6.356 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.282 -9.535 -9.600 1.00 25.00 H new HETATM 0 HG2 NVA B 26 7.563 -10.068 -8.093 1.00 25.00 H new HETATM 0 HD2 NVA B 26 6.539 -10.814 -10.901 1.00 25.00 H new HETATM 0 HB3 NVA B 26 5.381 -8.919 -8.813 1.00 25.00 H new HETATM 0 HB2 NVA B 26 6.236 -8.272 -10.199 1.00 25.00 H new HETATM 0 HA NVA B 26 5.986 -6.677 -8.345 1.00 25.00 H new ATOM 722 N THR B 27 5.973 -8.034 -6.111 1.00 25.00 N ATOM 723 CA THR B 27 6.017 -8.488 -4.726 1.00 25.00 C ATOM 724 C THR B 27 6.535 -9.925 -4.738 1.00 25.00 C ATOM 725 O THR B 27 6.393 -10.619 -5.733 1.00 25.00 O ATOM 726 CB THR B 27 4.622 -8.450 -4.085 1.00 25.00 C ATOM 727 OG1 THR B 27 3.678 -9.049 -4.976 1.00 25.00 O ATOM 728 CG2 THR B 27 4.184 -7.017 -3.828 1.00 25.00 C ATOM 0 H THR B 27 5.026 -7.944 -6.480 1.00 25.00 H new ATOM 0 HA THR B 27 6.665 -7.834 -4.142 1.00 25.00 H new ATOM 0 HB THR B 27 4.665 -8.991 -3.140 1.00 25.00 H new ATOM 0 HG1 THR B 27 2.786 -9.028 -4.570 1.00 25.00 H new ATOM 0 HG21 THR B 27 3.193 -7.015 -3.374 1.00 25.00 H new ATOM 0 HG22 THR B 27 4.893 -6.535 -3.155 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.152 -6.472 -4.771 1.00 25.00 H new ATOM 736 N PRO B 28 7.149 -10.398 -3.637 1.00 25.00 N ATOM 737 CA PRO B 28 7.682 -11.759 -3.748 1.00 25.00 C ATOM 738 C PRO B 28 6.614 -12.845 -3.812 1.00 25.00 C ATOM 739 O PRO B 28 5.899 -13.099 -2.847 1.00 25.00 O ATOM 740 CB PRO B 28 8.537 -11.894 -2.488 1.00 25.00 C ATOM 741 CG PRO B 28 7.924 -10.982 -1.512 1.00 25.00 C ATOM 742 CD PRO B 28 7.449 -9.802 -2.327 1.00 25.00 C ATOM 0 HA PRO B 28 8.230 -11.898 -4.680 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.540 -12.920 -2.121 1.00 25.00 H new ATOM 0 HB3 PRO B 28 9.574 -11.623 -2.684 1.00 25.00 H new ATOM 0 HG2 PRO B 28 7.095 -11.461 -0.990 1.00 25.00 H new ATOM 0 HG3 PRO B 28 8.643 -10.674 -0.753 1.00 25.00 H new ATOM 0 HD2 PRO B 28 6.568 -9.336 -1.885 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.215 -9.030 -2.402 1.00 25.00 H new HETATM 750 N HIX B 29 6.548 -13.523 -4.987 1.00 25.00 N HETATM 751 CA HIX B 29 5.609 -14.652 -5.340 1.00 25.00 C HETATM 752 C HIX B 29 5.817 -15.994 -4.531 1.00 25.00 C HETATM 753 O HIX B 29 5.518 -17.095 -4.971 1.00 25.00 O HETATM 754 CB HIX B 29 5.653 -14.950 -6.877 1.00 25.00 C HETATM 755 CG HIX B 29 5.532 -13.680 -7.718 1.00 25.00 C HETATM 756 CD2 HIX B 29 6.591 -13.091 -8.363 1.00 25.00 C HETATM 757 ND1 HIX B 29 4.423 -12.922 -8.031 1.00 25.00 N HETATM 758 NE1 HIX B 29 4.682 -11.832 -8.876 1.00 25.00 N HETATM 759 NE2 HIX B 29 6.066 -12.019 -9.005 1.00 25.00 N ATOM 766 N THR B 30 6.364 -15.855 -3.310 1.00 25.00 N ATOM 767 CA THR B 30 6.764 -16.935 -2.367 1.00 25.00 C ATOM 768 C THR B 30 6.742 -16.429 -0.924 1.00 25.00 C ATOM 769 O THR B 30 6.111 -16.965 -0.039 1.00 25.00 O ATOM 770 CB THR B 30 8.173 -17.478 -2.703 1.00 25.00 C ATOM 771 OG1 THR B 30 8.987 -16.380 -3.090 1.00 25.00 O ATOM 772 CG2 THR B 30 8.189 -18.507 -3.858 1.00 25.00 C ATOM 773 OXT THR B 30 7.510 -15.404 -0.713 1.00 25.00 O ATOM 0 H THR B 30 6.554 -14.930 -2.924 1.00 25.00 H new ATOM 0 HA THR B 30 6.043 -17.745 -2.474 1.00 25.00 H new ATOM 0 HB THR B 30 8.537 -17.988 -1.811 1.00 25.00 H new ATOM 0 HG1 THR B 30 8.834 -15.628 -2.480 1.00 25.00 H new ATOM 0 HG21 THR B 30 9.212 -18.841 -4.034 1.00 25.00 H new ATOM 0 HG22 THR B 30 7.569 -19.363 -3.591 1.00 25.00 H new ATOM 0 HG23 THR B 30 7.798 -18.044 -4.764 1.00 25.00 H new TER 782 THR B 30