USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.294 K(o=0.61,f=-0.64) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.315 K(o=0.61,f=-0.64) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.109 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -74:sc= 0.793 USER MOD Single : A 9 SER OG : rot -99:sc= 1.26 USER MOD Single : A 12 SER OG : rot 151:sc= 1.51 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 19 TYR OH : rot -130:sc= -0.782 USER MOD Single : A 21 ASN : amide:sc=-0.00838 X(o=-0.0084,f=0) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 0.0578 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.075) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00236 X(o=-0.0024,f=-0.0024) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -60:sc= 1.24 USER MOD Single : B 30 THR OG1 : rot -20:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.685 0.442 -0.150 1.00 25.00 N ATOM 2 CA GLY A 1 1.619 0.221 -1.259 1.00 25.00 C ATOM 3 C GLY A 1 0.880 -0.317 -2.461 1.00 25.00 C ATOM 4 O GLY A 1 -0.231 -0.827 -2.315 1.00 25.00 O ATOM 0 H1 GLY A 1 0.635 1.458 0.064 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.259 0.098 -0.417 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.016 -0.073 0.691 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.117 1.156 -1.517 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.396 -0.481 -0.956 1.00 25.00 H new ATOM 10 N ILE A 2 1.449 -0.166 -3.654 1.00 25.00 N ATOM 11 CA ILE A 2 0.763 -0.570 -4.894 1.00 25.00 C ATOM 12 C ILE A 2 0.472 -2.077 -4.939 1.00 25.00 C ATOM 13 O ILE A 2 -0.558 -2.461 -5.406 1.00 25.00 O ATOM 14 CB ILE A 2 1.572 -0.114 -6.188 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.746 -0.401 -7.457 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.950 -0.779 -6.248 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.310 0.187 -8.753 1.00 25.00 C ATOM 0 H ILE A 2 2.378 0.230 -3.796 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.197 -0.054 -4.894 1.00 25.00 H new ATOM 0 HB ILE A 2 1.743 0.961 -6.129 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.657 -1.481 -7.576 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.262 -0.013 -7.310 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.476 -0.446 -7.143 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.526 -0.503 -5.365 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.830 -1.862 -6.279 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.655 -0.072 -9.585 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.372 1.272 -8.664 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.305 -0.219 -8.934 1.00 25.00 H new ATOM 29 N VAL A 3 1.355 -2.903 -4.386 1.00 25.00 N ATOM 30 CA VAL A 3 1.195 -4.365 -4.458 1.00 25.00 C ATOM 31 C VAL A 3 -0.156 -4.858 -3.914 1.00 25.00 C ATOM 32 O VAL A 3 -0.886 -5.542 -4.614 1.00 25.00 O ATOM 33 CB VAL A 3 2.346 -5.088 -3.709 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.139 -6.608 -3.732 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.692 -4.731 -4.390 1.00 25.00 C ATOM 0 H VAL A 3 2.187 -2.594 -3.884 1.00 25.00 H new ATOM 0 HA VAL A 3 1.229 -4.612 -5.519 1.00 25.00 H new ATOM 0 HB VAL A 3 2.355 -4.761 -2.669 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.957 -7.095 -3.201 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.195 -6.854 -3.247 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.118 -6.957 -4.764 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.507 -5.234 -3.871 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.670 -5.054 -5.431 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.846 -3.653 -4.348 1.00 25.00 H new ATOM 45 N GLU A 4 -0.507 -4.507 -2.689 1.00 25.00 N ATOM 46 CA GLU A 4 -1.744 -5.012 -2.085 1.00 25.00 C ATOM 47 C GLU A 4 -2.940 -4.424 -2.800 1.00 25.00 C ATOM 48 O GLU A 4 -3.960 -5.092 -2.976 1.00 25.00 O ATOM 49 CB GLU A 4 -1.785 -4.685 -0.605 1.00 25.00 C ATOM 50 CG GLU A 4 -0.755 -5.422 0.197 1.00 25.00 C ATOM 51 CD GLU A 4 -0.873 -5.058 1.664 1.00 25.00 C ATOM 52 OE1 GLU A 4 -0.700 -3.861 1.969 1.00 25.00 O ATOM 53 OE2 GLU A 4 -1.107 -5.951 2.485 1.00 25.00 O ATOM 0 H GLU A 4 0.035 -3.882 -2.093 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.773 -6.097 -2.189 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.638 -3.613 -0.473 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.775 -4.921 -0.216 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.886 -6.497 0.070 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.243 -5.177 -0.167 1.00 25.00 H new ATOM 60 N GLN A 5 -2.818 -3.163 -3.187 1.00 25.00 N ATOM 61 CA GLN A 5 -3.890 -2.473 -3.902 1.00 25.00 C ATOM 62 C GLN A 5 -4.157 -3.193 -5.217 1.00 25.00 C ATOM 63 O GLN A 5 -5.293 -3.415 -5.579 1.00 25.00 O ATOM 64 CB GLN A 5 -3.486 -1.014 -4.173 1.00 25.00 C ATOM 65 CG GLN A 5 -4.569 -0.167 -4.783 1.00 25.00 C ATOM 66 CD GLN A 5 -4.074 1.248 -5.069 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.129 1.428 -5.809 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.671 2.232 -4.442 1.00 25.00 N ATOM 0 H GLN A 5 -1.988 -2.594 -3.020 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.795 -2.477 -3.295 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -3.171 -0.558 -3.234 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.621 -1.008 -4.836 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.915 -0.627 -5.709 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -5.424 -0.126 -4.108 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.463 2.040 -3.828 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.344 3.190 -4.568 1.00 25.00 H new ATOM 77 N CYS A 6 -3.100 -3.569 -5.915 1.00 25.00 N ATOM 78 CA CYS A 6 -3.175 -4.277 -7.198 1.00 25.00 C ATOM 79 C CYS A 6 -3.754 -5.683 -7.029 1.00 25.00 C ATOM 80 O CYS A 6 -4.524 -6.141 -7.864 1.00 25.00 O ATOM 81 CB CYS A 6 -1.767 -4.327 -7.777 1.00 25.00 C ATOM 82 SG CYS A 6 -1.567 -5.060 -9.442 1.00 25.00 S ATOM 0 H CYS A 6 -2.144 -3.391 -5.607 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.845 -3.750 -7.877 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.379 -3.309 -7.808 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.138 -4.886 -7.085 1.00 25.00 H new ATOM 87 N CYS A 7 -3.379 -6.367 -5.950 1.00 25.00 N ATOM 88 CA CYS A 7 -3.886 -7.735 -5.706 1.00 25.00 C ATOM 89 C CYS A 7 -5.363 -7.764 -5.297 1.00 25.00 C ATOM 90 O CYS A 7 -6.129 -8.549 -5.818 1.00 25.00 O ATOM 91 CB CYS A 7 -3.080 -8.427 -4.589 1.00 25.00 C ATOM 92 SG CYS A 7 -1.405 -8.880 -5.105 1.00 25.00 S ATOM 0 H CYS A 7 -2.739 -6.014 -5.238 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.774 -8.260 -6.655 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -3.022 -7.764 -3.726 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.610 -9.323 -4.267 1.00 25.00 H new ATOM 97 N THR A 8 -5.763 -6.932 -4.345 1.00 25.00 N ATOM 98 CA THR A 8 -7.137 -6.972 -3.814 1.00 25.00 C ATOM 99 C THR A 8 -8.202 -6.338 -4.734 1.00 25.00 C ATOM 100 O THR A 8 -9.297 -6.003 -4.285 1.00 25.00 O ATOM 101 CB THR A 8 -7.225 -6.247 -2.443 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.802 -4.884 -2.560 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.340 -6.970 -1.421 1.00 25.00 C ATOM 0 H THR A 8 -5.167 -6.222 -3.921 1.00 25.00 H new ATOM 0 HA THR A 8 -7.356 -8.036 -3.727 1.00 25.00 H new ATOM 0 HB THR A 8 -8.263 -6.262 -2.111 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.827 -4.851 -2.656 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.403 -6.460 -0.460 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.680 -7.999 -1.309 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.306 -6.965 -1.767 1.00 25.00 H new ATOM 111 N SER A 9 -7.867 -6.193 -6.006 1.00 25.00 N ATOM 112 CA SER A 9 -8.721 -5.520 -6.973 1.00 25.00 C ATOM 113 C SER A 9 -8.348 -5.927 -8.379 1.00 25.00 C ATOM 114 O SER A 9 -7.336 -6.594 -8.590 1.00 25.00 O ATOM 115 CB SER A 9 -8.590 -4.005 -6.816 1.00 25.00 C ATOM 116 OG SER A 9 -7.337 -3.535 -7.303 1.00 25.00 O ATOM 0 H SER A 9 -6.992 -6.540 -6.399 1.00 25.00 H new ATOM 0 HA SER A 9 -9.755 -5.811 -6.789 1.00 25.00 H new ATOM 0 HB2 SER A 9 -9.399 -3.511 -7.355 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.697 -3.737 -5.765 1.00 25.00 H new ATOM 0 HG SER A 9 -6.722 -3.403 -6.551 1.00 25.00 H new ATOM 122 N ILE A 10 -9.135 -5.477 -9.351 1.00 25.00 N ATOM 123 CA ILE A 10 -8.752 -5.644 -10.749 1.00 25.00 C ATOM 124 C ILE A 10 -7.683 -4.588 -11.014 1.00 25.00 C ATOM 125 O ILE A 10 -7.948 -3.373 -11.034 1.00 25.00 O ATOM 126 CB ILE A 10 -9.956 -5.420 -11.712 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.043 -6.484 -11.504 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.479 -5.449 -13.183 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.710 -7.900 -11.954 1.00 25.00 C ATOM 0 H ILE A 10 -10.026 -5.003 -9.202 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.395 -6.658 -10.927 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.382 -4.443 -11.486 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.291 -6.514 -10.443 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.940 -6.161 -12.032 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.331 -5.291 -13.845 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.744 -4.660 -13.343 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.026 -6.416 -13.399 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.558 -8.555 -11.753 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.496 -7.901 -13.023 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.837 -8.259 -11.409 1.00 25.00 H new ATOM 141 N CYS A 11 -6.468 -5.050 -11.205 1.00 25.00 N ATOM 142 CA CYS A 11 -5.342 -4.164 -11.447 1.00 25.00 C ATOM 143 C CYS A 11 -5.369 -3.681 -12.917 1.00 25.00 C ATOM 144 O CYS A 11 -5.650 -4.461 -13.834 1.00 25.00 O ATOM 145 CB CYS A 11 -4.032 -4.908 -11.141 1.00 25.00 C ATOM 146 SG CYS A 11 -2.642 -3.849 -10.675 1.00 25.00 S ATOM 0 H CYS A 11 -6.229 -6.042 -11.198 1.00 25.00 H new ATOM 0 HA CYS A 11 -5.409 -3.293 -10.796 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.215 -5.618 -10.334 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.748 -5.489 -12.019 1.00 25.00 H new ATOM 151 N SER A 12 -5.142 -2.393 -13.118 1.00 25.00 N ATOM 152 CA SER A 12 -5.255 -1.791 -14.461 1.00 25.00 C ATOM 153 C SER A 12 -3.975 -1.902 -15.259 1.00 25.00 C ATOM 154 O SER A 12 -2.903 -2.165 -14.713 1.00 25.00 O ATOM 155 CB SER A 12 -5.654 -0.310 -14.361 1.00 25.00 C ATOM 156 OG SER A 12 -4.554 0.471 -13.971 1.00 25.00 O ATOM 0 H SER A 12 -4.879 -1.738 -12.382 1.00 25.00 H new ATOM 0 HA SER A 12 -6.029 -2.354 -14.983 1.00 25.00 H new ATOM 0 HB2 SER A 12 -6.031 0.037 -15.323 1.00 25.00 H new ATOM 0 HB3 SER A 12 -6.464 -0.193 -13.641 1.00 25.00 H new ATOM 0 HG SER A 12 -4.649 1.376 -14.336 1.00 25.00 H new ATOM 162 N LEU A 13 -4.059 -1.614 -16.550 1.00 25.00 N ATOM 163 CA LEU A 13 -2.867 -1.644 -17.397 1.00 25.00 C ATOM 164 C LEU A 13 -1.812 -0.628 -16.933 1.00 25.00 C ATOM 165 O LEU A 13 -0.650 -0.953 -16.859 1.00 25.00 O ATOM 166 CB LEU A 13 -3.266 -1.349 -18.853 1.00 25.00 C ATOM 167 CG LEU A 13 -2.099 -1.345 -19.868 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.348 -2.674 -19.919 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.672 -1.043 -21.249 1.00 25.00 C ATOM 0 H LEU A 13 -4.922 -1.361 -17.031 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.426 -2.638 -17.323 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -3.999 -2.091 -19.169 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.760 -0.378 -18.888 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.382 -0.588 -19.551 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.541 -2.608 -20.649 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -0.931 -2.894 -18.936 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.035 -3.469 -20.208 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.866 -1.035 -21.983 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.399 -1.809 -21.517 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.160 -0.069 -21.235 1.00 25.00 H new ATOM 181 N TYR A 14 -2.237 0.582 -16.574 1.00 25.00 N ATOM 182 CA TYR A 14 -1.289 1.598 -16.156 1.00 25.00 C ATOM 183 C TYR A 14 -0.750 1.302 -14.725 1.00 25.00 C ATOM 184 O TYR A 14 0.331 1.725 -14.389 1.00 25.00 O ATOM 185 CB TYR A 14 -1.897 2.996 -16.272 1.00 25.00 C ATOM 186 CG TYR A 14 -3.098 3.238 -15.367 1.00 25.00 C ATOM 187 CD1 TYR A 14 -2.915 3.650 -14.032 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.416 3.107 -15.860 1.00 25.00 C ATOM 189 CE1 TYR A 14 -4.010 3.902 -13.189 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.524 3.367 -15.006 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.299 3.745 -13.682 1.00 25.00 C ATOM 192 OH TYR A 14 -6.384 3.966 -12.895 1.00 25.00 O ATOM 0 H TYR A 14 -3.214 0.874 -16.565 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.433 1.569 -16.830 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.128 3.733 -16.040 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.197 3.163 -17.306 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -1.913 3.775 -13.649 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.582 2.810 -16.885 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -3.851 4.215 -12.168 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.533 3.272 -15.380 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.201 3.808 -13.412 1.00 25.00 H new ATOM 202 N GLN A 15 -1.512 0.570 -13.921 1.00 25.00 N ATOM 203 CA GLN A 15 -1.032 0.199 -12.584 1.00 25.00 C ATOM 204 C GLN A 15 0.021 -0.867 -12.770 1.00 25.00 C ATOM 205 O GLN A 15 0.978 -0.921 -12.027 1.00 25.00 O ATOM 206 CB GLN A 15 -2.166 -0.361 -11.709 1.00 25.00 C ATOM 207 CG GLN A 15 -3.083 0.686 -11.132 1.00 25.00 C ATOM 208 CD GLN A 15 -2.524 1.267 -9.866 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.615 2.075 -9.920 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.044 0.861 -8.730 1.00 25.00 N ATOM 0 H GLN A 15 -2.443 0.226 -14.157 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.636 1.082 -12.082 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.758 -1.056 -12.304 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.728 -0.934 -10.891 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -3.235 1.481 -11.862 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.060 0.246 -10.932 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.805 0.182 -8.731 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.687 1.225 -7.847 1.00 25.00 H new ATOM 219 N LEU A 16 -0.155 -1.700 -13.780 1.00 25.00 N ATOM 220 CA LEU A 16 0.843 -2.696 -14.143 1.00 25.00 C ATOM 221 C LEU A 16 2.089 -1.980 -14.697 1.00 25.00 C ATOM 222 O LEU A 16 3.217 -2.253 -14.261 1.00 25.00 O ATOM 223 CB LEU A 16 0.232 -3.702 -15.129 1.00 25.00 C ATOM 224 CG LEU A 16 1.006 -4.992 -15.474 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.030 -5.926 -16.186 1.00 25.00 C ATOM 226 CD2 LEU A 16 2.203 -4.758 -16.372 1.00 25.00 C ATOM 0 H LEU A 16 -0.987 -1.707 -14.370 1.00 25.00 H new ATOM 0 HA LEU A 16 1.161 -3.268 -13.271 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.739 -3.999 -14.733 1.00 25.00 H new ATOM 0 HB3 LEU A 16 0.046 -3.172 -16.063 1.00 25.00 H new ATOM 0 HG LEU A 16 1.395 -5.412 -14.546 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.539 -6.853 -16.448 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.809 -6.147 -15.526 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.338 -5.445 -17.092 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.699 -5.708 -16.573 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.872 -4.316 -17.312 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.901 -4.082 -15.879 1.00 25.00 H new ATOM 238 N GLU A 17 1.891 -1.049 -15.625 1.00 25.00 N ATOM 239 CA GLU A 17 3.033 -0.354 -16.255 1.00 25.00 C ATOM 240 C GLU A 17 3.868 0.389 -15.223 1.00 25.00 C ATOM 241 O GLU A 17 5.090 0.436 -15.309 1.00 25.00 O ATOM 242 CB GLU A 17 2.546 0.633 -17.326 1.00 25.00 C ATOM 243 CG GLU A 17 2.037 -0.041 -18.599 1.00 25.00 C ATOM 244 CD GLU A 17 3.158 -0.422 -19.580 1.00 25.00 C ATOM 245 OE1 GLU A 17 4.192 -0.944 -19.134 1.00 25.00 O ATOM 246 OE2 GLU A 17 2.908 -0.301 -20.789 1.00 25.00 O ATOM 0 H GLU A 17 0.973 -0.755 -15.960 1.00 25.00 H new ATOM 0 HA GLU A 17 3.656 -1.115 -16.724 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.748 1.246 -16.906 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.363 1.307 -17.584 1.00 25.00 H new ATOM 0 HG2 GLU A 17 1.481 -0.939 -18.328 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.338 0.628 -19.100 1.00 25.00 H new ATOM 253 N ASN A 18 3.193 0.901 -14.197 1.00 25.00 N ATOM 254 CA ASN A 18 3.847 1.587 -13.072 1.00 25.00 C ATOM 255 C ASN A 18 4.924 0.754 -12.330 1.00 25.00 C ATOM 256 O ASN A 18 5.713 1.312 -11.586 1.00 25.00 O ATOM 257 CB ASN A 18 2.775 2.054 -12.089 1.00 25.00 C ATOM 258 CG ASN A 18 2.984 3.455 -11.591 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.101 4.388 -12.361 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.009 3.608 -10.305 1.00 25.00 N ATOM 0 H ASN A 18 2.177 0.855 -14.117 1.00 25.00 H new ATOM 0 HA ASN A 18 4.391 2.428 -13.502 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.800 1.991 -12.571 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.754 1.374 -11.237 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.130 4.538 -9.904 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.907 2.798 -9.693 1.00 25.00 H new ATOM 267 N TYR A 19 4.917 -0.569 -12.516 1.00 25.00 N ATOM 268 CA TYR A 19 5.918 -1.457 -11.902 1.00 25.00 C ATOM 269 C TYR A 19 7.173 -1.564 -12.742 1.00 25.00 C ATOM 270 O TYR A 19 8.228 -1.942 -12.222 1.00 25.00 O ATOM 271 CB TYR A 19 5.414 -2.894 -11.780 1.00 25.00 C ATOM 272 CG TYR A 19 4.407 -3.145 -10.695 1.00 25.00 C ATOM 273 CD1 TYR A 19 4.830 -3.454 -9.383 1.00 25.00 C ATOM 274 CD2 TYR A 19 3.023 -3.114 -10.960 1.00 25.00 C ATOM 275 CE1 TYR A 19 3.877 -3.749 -8.360 1.00 25.00 C ATOM 276 CE2 TYR A 19 2.082 -3.396 -9.953 1.00 25.00 C ATOM 277 CZ TYR A 19 2.516 -3.722 -8.663 1.00 25.00 C ATOM 278 OH TYR A 19 1.609 -4.010 -7.676 1.00 25.00 O ATOM 0 H TYR A 19 4.227 -1.054 -13.089 1.00 25.00 H new ATOM 0 HA TYR A 19 6.116 -1.011 -10.927 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.973 -3.186 -12.733 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.271 -3.546 -11.612 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.885 -3.467 -9.151 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.679 -2.869 -11.954 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.208 -3.991 -7.361 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.026 -3.361 -10.175 1.00 25.00 H new ATOM 0 HH TYR A 19 0.973 -4.680 -8.002 1.00 25.00 H new ATOM 288 N CYS A 20 7.038 -1.349 -14.042 1.00 25.00 N ATOM 289 CA CYS A 20 8.159 -1.532 -14.969 1.00 25.00 C ATOM 290 C CYS A 20 8.876 -0.195 -15.153 1.00 25.00 C ATOM 291 O CYS A 20 8.451 0.809 -14.592 1.00 25.00 O ATOM 292 CB CYS A 20 7.642 -2.100 -16.305 1.00 25.00 C ATOM 293 SG CYS A 20 7.214 -3.869 -16.178 1.00 25.00 S ATOM 0 H CYS A 20 6.169 -1.049 -14.484 1.00 25.00 H new ATOM 0 HA CYS A 20 8.875 -2.248 -14.566 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.764 -1.537 -16.623 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.402 -1.966 -17.074 1.00 25.00 H new ATOM 298 N ASN A 21 9.995 -0.225 -15.867 1.00 25.00 N ATOM 299 CA ASN A 21 10.835 0.952 -16.101 1.00 25.00 C ATOM 300 C ASN A 21 10.565 1.451 -17.500 1.00 25.00 C ATOM 301 O ASN A 21 10.175 0.594 -18.331 1.00 25.00 O ATOM 302 CB ASN A 21 12.309 0.582 -15.957 1.00 25.00 C ATOM 303 CG ASN A 21 12.663 -0.045 -14.616 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.583 0.587 -13.561 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.117 -1.261 -14.658 1.00 25.00 N ATOM 306 OXT ASN A 21 10.896 2.615 -17.819 1.00 25.00 O ATOM 0 H ASN A 21 10.352 -1.074 -16.306 1.00 25.00 H new ATOM 0 HA ASN A 21 10.604 1.728 -15.371 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.578 -0.112 -16.753 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.913 1.478 -16.098 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.421 -1.722 -13.800 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.170 -1.755 -15.549 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.688 -7.507 -22.886 1.00 25.00 N ATOM 315 CA PHE B 1 -3.198 -7.587 -21.491 1.00 25.00 C ATOM 316 C PHE B 1 -4.698 -7.412 -21.481 1.00 25.00 C ATOM 317 O PHE B 1 -5.199 -6.656 -22.273 1.00 25.00 O ATOM 318 CB PHE B 1 -2.556 -6.516 -20.639 1.00 25.00 C ATOM 319 CG PHE B 1 -2.777 -6.726 -19.161 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.467 -7.965 -18.571 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.297 -5.688 -18.356 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.673 -8.190 -17.197 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.515 -5.915 -16.976 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.192 -7.167 -16.404 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.863 -6.875 -22.918 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.411 -8.456 -23.209 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.434 -7.134 -23.507 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.947 -8.565 -21.081 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.485 -6.493 -20.841 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -2.956 -5.543 -20.926 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.064 -8.758 -19.183 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.527 -4.727 -18.791 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.431 -9.148 -16.760 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.929 -5.131 -16.359 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.348 -7.332 -15.348 1.00 25.00 H new ATOM 336 N VAL B 2 -5.421 -8.132 -20.618 1.00 25.00 N ATOM 337 CA VAL B 2 -6.888 -8.084 -20.568 1.00 25.00 C ATOM 338 C VAL B 2 -7.380 -8.008 -19.119 1.00 25.00 C ATOM 339 O VAL B 2 -8.402 -8.551 -18.768 1.00 25.00 O ATOM 340 CB VAL B 2 -7.512 -9.314 -21.314 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.290 -9.178 -22.834 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.885 -10.634 -20.850 1.00 25.00 C ATOM 0 H VAL B 2 -5.007 -8.765 -19.934 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.217 -7.181 -21.081 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.577 -9.327 -21.082 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.727 -10.037 -23.344 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.765 -8.264 -23.191 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -6.221 -9.137 -23.043 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -7.343 -11.464 -21.389 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.814 -10.618 -21.050 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.052 -10.760 -19.780 1.00 25.00 H new ATOM 352 N ASN B 3 -6.578 -7.376 -18.269 1.00 25.00 N ATOM 353 CA ASN B 3 -6.867 -7.164 -16.821 1.00 25.00 C ATOM 354 C ASN B 3 -6.990 -8.467 -16.013 1.00 25.00 C ATOM 355 O ASN B 3 -5.973 -9.099 -15.765 1.00 25.00 O ATOM 356 CB ASN B 3 -8.099 -6.252 -16.622 1.00 25.00 C ATOM 357 CG ASN B 3 -7.858 -4.851 -17.132 1.00 25.00 C ATOM 358 OD1 ASN B 3 -8.349 -4.484 -18.181 1.00 25.00 O ATOM 359 ND2 ASN B 3 -7.107 -4.072 -16.412 1.00 25.00 N ATOM 0 H ASN B 3 -5.683 -6.980 -18.556 1.00 25.00 H new ATOM 0 HA ASN B 3 -5.993 -6.653 -16.416 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.956 -6.683 -17.140 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.353 -6.213 -15.563 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.914 -3.120 -16.723 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.711 -4.413 -15.536 1.00 25.00 H new ATOM 366 N GLN B 4 -8.202 -8.838 -15.595 1.00 25.00 N ATOM 367 CA GLN B 4 -8.446 -9.951 -14.640 1.00 25.00 C ATOM 368 C GLN B 4 -7.837 -9.680 -13.230 1.00 25.00 C ATOM 369 O GLN B 4 -7.168 -8.678 -13.001 1.00 25.00 O ATOM 370 CB GLN B 4 -7.997 -11.321 -15.214 1.00 25.00 C ATOM 371 CG GLN B 4 -9.148 -12.096 -15.835 1.00 25.00 C ATOM 372 CD GLN B 4 -9.725 -11.389 -17.041 1.00 25.00 C ATOM 373 OE1 GLN B 4 -10.674 -10.621 -16.934 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.200 -11.688 -18.197 1.00 25.00 N ATOM 0 H GLN B 4 -9.058 -8.378 -15.906 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.526 -10.002 -14.502 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.224 -11.161 -15.965 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.550 -11.916 -14.418 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.801 -13.087 -16.128 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -9.931 -12.240 -15.091 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.410 -12.332 -18.247 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.579 -11.278 -19.051 1.00 25.00 H new ATOM 383 N HIS B 5 -8.129 -10.570 -12.286 1.00 25.00 N ATOM 384 CA HIS B 5 -7.613 -10.469 -10.918 1.00 25.00 C ATOM 385 C HIS B 5 -6.294 -11.292 -10.830 1.00 25.00 C ATOM 386 O HIS B 5 -6.332 -12.523 -10.928 1.00 25.00 O ATOM 387 CB HIS B 5 -8.618 -11.063 -9.929 1.00 25.00 C ATOM 388 CG HIS B 5 -9.292 -10.064 -9.056 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.616 -9.726 -9.146 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.807 -9.319 -8.015 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.883 -8.837 -8.208 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.821 -8.556 -7.477 1.00 25.00 N ATOM 0 H HIS B 5 -8.728 -11.380 -12.444 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.441 -9.421 -10.673 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.378 -11.609 -10.488 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.103 -11.788 -9.299 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -11.282 -10.098 -9.823 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.784 -9.328 -7.668 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.855 -8.392 -8.057 1.00 25.00 H new ATOM 400 N LEU B 6 -5.158 -10.619 -10.699 1.00 25.00 N ATOM 401 CA LEU B 6 -3.845 -11.299 -10.682 1.00 25.00 C ATOM 402 C LEU B 6 -3.025 -10.795 -9.480 1.00 25.00 C ATOM 403 O LEU B 6 -3.145 -9.643 -9.102 1.00 25.00 O ATOM 404 CB LEU B 6 -3.115 -10.988 -11.997 1.00 25.00 C ATOM 405 CG LEU B 6 -3.955 -11.122 -13.292 1.00 25.00 C ATOM 406 CD1 LEU B 6 -3.175 -10.538 -14.438 1.00 25.00 C ATOM 407 CD2 LEU B 6 -4.364 -12.562 -13.637 1.00 25.00 C ATOM 0 H LEU B 6 -5.107 -9.605 -10.602 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.976 -12.377 -10.587 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.729 -9.970 -11.942 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.254 -11.652 -12.077 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.885 -10.581 -13.116 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.756 -10.626 -15.356 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.968 -9.486 -14.239 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.235 -11.078 -14.550 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.948 -12.564 -14.557 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.471 -13.171 -13.774 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.964 -12.974 -12.825 1.00 25.00 H new ATOM 419 N CYS B 7 -2.211 -11.674 -8.905 1.00 25.00 N ATOM 420 CA CYS B 7 -1.393 -11.319 -7.738 1.00 25.00 C ATOM 421 C CYS B 7 -0.132 -12.181 -7.633 1.00 25.00 C ATOM 422 O CYS B 7 0.963 -11.680 -7.453 1.00 25.00 O ATOM 423 CB CYS B 7 -2.237 -11.469 -6.474 1.00 25.00 C ATOM 424 SG CYS B 7 -1.393 -10.906 -4.959 1.00 25.00 S ATOM 0 H CYS B 7 -2.096 -12.636 -9.223 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.066 -10.286 -7.854 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.161 -10.904 -6.596 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -2.516 -12.516 -6.356 1.00 25.00 H new ATOM 429 N GLY B 8 -0.313 -13.491 -7.746 1.00 25.00 N ATOM 430 CA GLY B 8 0.811 -14.402 -7.624 1.00 25.00 C ATOM 431 C GLY B 8 1.516 -14.641 -8.962 1.00 25.00 C ATOM 432 O GLY B 8 1.835 -13.711 -9.692 1.00 25.00 O ATOM 0 H GLY B 8 -1.213 -13.938 -7.919 1.00 25.00 H new ATOM 0 HA2 GLY B 8 1.526 -13.999 -6.907 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.462 -15.354 -7.225 1.00 25.00 H new ATOM 436 N SER B 9 1.684 -15.914 -9.291 1.00 25.00 N ATOM 437 CA SER B 9 2.412 -16.335 -10.512 1.00 25.00 C ATOM 438 C SER B 9 1.892 -15.712 -11.787 1.00 25.00 C ATOM 439 O SER B 9 2.666 -15.362 -12.673 1.00 25.00 O ATOM 440 CB SER B 9 2.330 -17.863 -10.617 1.00 25.00 C ATOM 441 OG SER B 9 0.982 -18.296 -10.544 1.00 25.00 O ATOM 0 H SER B 9 1.328 -16.690 -8.733 1.00 25.00 H new ATOM 0 HA SER B 9 3.440 -15.988 -10.410 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.773 -18.193 -11.557 1.00 25.00 H new ATOM 0 HB3 SER B 9 2.908 -18.320 -9.814 1.00 25.00 H new ATOM 0 HG SER B 9 0.948 -19.273 -10.614 1.00 25.00 H new ATOM 447 N HIS B 10 0.582 -15.545 -11.886 1.00 25.00 N ATOM 448 CA HIS B 10 -0.014 -14.889 -13.070 1.00 25.00 C ATOM 449 C HIS B 10 0.399 -13.413 -13.285 1.00 25.00 C ATOM 450 O HIS B 10 0.351 -12.911 -14.416 1.00 25.00 O ATOM 451 CB HIS B 10 -1.528 -14.958 -12.931 1.00 25.00 C ATOM 452 CG HIS B 10 -2.066 -16.351 -12.853 1.00 25.00 C ATOM 453 ND1 HIS B 10 -2.709 -16.871 -11.766 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.070 -17.346 -13.790 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.063 -18.112 -12.049 1.00 25.00 C ATOM 456 NE2 HIS B 10 -2.713 -18.445 -13.271 1.00 25.00 N ATOM 0 H HIS B 10 -0.091 -15.845 -11.180 1.00 25.00 H new ATOM 0 HA HIS B 10 0.362 -15.426 -13.941 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.826 -14.413 -12.035 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.985 -14.450 -13.780 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -1.638 -17.280 -14.778 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -3.575 -18.770 -11.363 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -2.883 -19.335 -13.738 1.00 25.00 H new ATOM 464 N LEU B 11 0.834 -12.736 -12.245 1.00 25.00 N ATOM 465 CA LEU B 11 1.335 -11.355 -12.384 1.00 25.00 C ATOM 466 C LEU B 11 2.645 -11.337 -13.130 1.00 25.00 C ATOM 467 O LEU B 11 2.945 -10.417 -13.883 1.00 25.00 O ATOM 468 CB LEU B 11 1.531 -10.706 -11.008 1.00 25.00 C ATOM 469 CG LEU B 11 1.711 -9.172 -11.019 1.00 25.00 C ATOM 470 CD1 LEU B 11 0.357 -8.478 -11.251 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.390 -8.690 -9.740 1.00 25.00 C ATOM 0 H LEU B 11 0.858 -13.102 -11.293 1.00 25.00 H new ATOM 0 HA LEU B 11 0.592 -10.789 -12.945 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.671 -10.949 -10.384 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.405 -11.154 -10.535 1.00 25.00 H new ATOM 0 HG LEU B 11 2.368 -8.902 -11.846 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.498 -7.397 -11.256 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.055 -8.795 -12.209 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.333 -8.750 -10.452 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.504 -7.607 -9.775 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.780 -8.963 -8.879 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.372 -9.156 -9.652 1.00 25.00 H new ATOM 483 N VAL B 12 3.421 -12.384 -12.931 1.00 25.00 N ATOM 484 CA VAL B 12 4.730 -12.492 -13.542 1.00 25.00 C ATOM 485 C VAL B 12 4.509 -12.599 -15.056 1.00 25.00 C ATOM 486 O VAL B 12 5.179 -11.948 -15.848 1.00 25.00 O ATOM 487 CB VAL B 12 5.506 -13.712 -12.977 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.917 -13.768 -13.566 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.555 -13.645 -11.369 1.00 25.00 C ATOM 0 H VAL B 12 3.164 -13.179 -12.345 1.00 25.00 H new ATOM 0 HA VAL B 12 5.342 -11.619 -13.317 1.00 25.00 H new ATOM 0 HB VAL B 12 4.984 -14.624 -13.265 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.447 -14.629 -13.159 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.855 -13.859 -14.650 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.455 -12.856 -13.308 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.102 -14.506 -10.985 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.057 -12.729 -11.058 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.539 -13.655 -10.973 1.00 25.00 H new ATOM 499 N GLU B 13 3.514 -13.365 -15.457 1.00 25.00 N ATOM 500 CA GLU B 13 3.173 -13.461 -16.879 1.00 25.00 C ATOM 501 C GLU B 13 2.580 -12.145 -17.418 1.00 25.00 C ATOM 502 O GLU B 13 2.822 -11.770 -18.553 1.00 25.00 O ATOM 503 CB GLU B 13 2.159 -14.570 -17.123 1.00 25.00 C ATOM 504 CG GLU B 13 2.617 -15.939 -16.679 1.00 25.00 C ATOM 505 CD GLU B 13 1.773 -17.027 -17.310 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.544 -17.072 -17.045 1.00 25.00 O ATOM 507 OE2 GLU B 13 2.339 -17.841 -18.066 1.00 25.00 O ATOM 0 H GLU B 13 2.930 -13.926 -14.836 1.00 25.00 H new ATOM 0 HA GLU B 13 4.104 -13.678 -17.403 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.234 -14.322 -16.602 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.925 -14.605 -18.187 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.663 -16.082 -16.951 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.557 -16.012 -15.593 1.00 25.00 H new ATOM 514 N ALA B 14 1.809 -11.454 -16.584 1.00 25.00 N ATOM 515 CA ALA B 14 1.190 -10.195 -16.973 1.00 25.00 C ATOM 516 C ALA B 14 2.310 -9.189 -17.283 1.00 25.00 C ATOM 517 O ALA B 14 2.293 -8.531 -18.335 1.00 25.00 O ATOM 518 CB ALA B 14 0.302 -9.698 -15.859 1.00 25.00 C ATOM 0 H ALA B 14 1.598 -11.748 -15.630 1.00 25.00 H new ATOM 0 HA ALA B 14 0.568 -10.326 -17.858 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.159 -8.756 -16.154 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.475 -10.435 -15.657 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.898 -9.544 -14.960 1.00 25.00 H new ATOM 524 N LEU B 15 3.300 -9.107 -16.401 1.00 25.00 N ATOM 525 CA LEU B 15 4.428 -8.220 -16.579 1.00 25.00 C ATOM 526 C LEU B 15 5.220 -8.623 -17.799 1.00 25.00 C ATOM 527 O LEU B 15 5.611 -7.780 -18.589 1.00 25.00 O ATOM 528 CB LEU B 15 5.335 -8.256 -15.361 1.00 25.00 C ATOM 529 CG LEU B 15 4.793 -7.543 -14.114 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.419 -8.108 -12.837 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.078 -6.052 -14.193 1.00 25.00 C ATOM 0 H LEU B 15 3.337 -9.658 -15.543 1.00 25.00 H new ATOM 0 HA LEU B 15 4.045 -7.208 -16.710 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.532 -9.297 -15.106 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.292 -7.807 -15.628 1.00 25.00 H new ATOM 0 HG LEU B 15 3.716 -7.710 -14.080 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.016 -7.583 -11.971 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.188 -9.170 -12.758 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.500 -7.974 -12.871 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.688 -5.559 -13.302 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.154 -5.890 -14.256 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.596 -5.636 -15.078 1.00 25.00 H new ATOM 543 N TYR B 16 5.393 -9.920 -17.990 1.00 25.00 N ATOM 544 CA TYR B 16 6.080 -10.453 -19.169 1.00 25.00 C ATOM 545 C TYR B 16 5.397 -10.019 -20.488 1.00 25.00 C ATOM 546 O TYR B 16 6.063 -9.583 -21.421 1.00 25.00 O ATOM 547 CB TYR B 16 6.119 -11.977 -19.088 1.00 25.00 C ATOM 548 CG TYR B 16 6.964 -12.620 -20.134 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.357 -12.775 -19.935 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.416 -13.110 -21.326 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.184 -13.417 -20.916 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.229 -13.749 -22.305 1.00 25.00 C ATOM 553 CZ TYR B 16 8.610 -13.897 -22.079 1.00 25.00 C ATOM 554 OH TYR B 16 9.398 -14.555 -23.011 1.00 25.00 O ATOM 0 H TYR B 16 5.066 -10.635 -17.340 1.00 25.00 H new ATOM 0 HA TYR B 16 7.092 -10.048 -19.175 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.491 -12.269 -18.106 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.102 -12.361 -19.171 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.806 -12.402 -19.026 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.357 -13.001 -21.506 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.245 -13.524 -20.748 1.00 25.00 H new ATOM 0 HE2 TYR B 16 6.787 -14.119 -23.218 1.00 25.00 H new ATOM 0 HH TYR B 16 8.844 -14.831 -23.771 1.00 25.00 H new ATOM 564 N LEU B 17 4.083 -10.134 -20.530 1.00 25.00 N ATOM 565 CA LEU B 17 3.309 -9.753 -21.722 1.00 25.00 C ATOM 566 C LEU B 17 3.284 -8.248 -22.014 1.00 25.00 C ATOM 567 O LEU B 17 3.247 -7.847 -23.163 1.00 25.00 O ATOM 568 CB LEU B 17 1.865 -10.210 -21.534 1.00 25.00 C ATOM 569 CG LEU B 17 1.641 -11.736 -21.625 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.222 -12.093 -21.098 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.761 -12.255 -23.052 1.00 25.00 C ATOM 0 H LEU B 17 3.518 -10.487 -19.757 1.00 25.00 H new ATOM 0 HA LEU B 17 3.805 -10.234 -22.566 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.515 -9.865 -20.561 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.245 -9.722 -22.287 1.00 25.00 H new ATOM 0 HG LEU B 17 2.416 -12.205 -21.019 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.070 -13.170 -21.165 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.130 -11.777 -20.059 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.529 -11.582 -21.701 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.595 -13.332 -23.062 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.016 -11.767 -23.680 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.758 -12.037 -23.436 1.00 25.00 H new ATOM 583 N VAL B 18 3.218 -7.419 -20.978 1.00 25.00 N ATOM 584 CA VAL B 18 3.090 -5.975 -21.164 1.00 25.00 C ATOM 585 C VAL B 18 4.440 -5.294 -21.365 1.00 25.00 C ATOM 586 O VAL B 18 4.627 -4.572 -22.334 1.00 25.00 O ATOM 587 CB VAL B 18 2.370 -5.324 -19.962 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.273 -3.830 -20.138 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.957 -5.928 -19.841 1.00 25.00 C ATOM 0 H VAL B 18 3.251 -7.719 -20.004 1.00 25.00 H new ATOM 0 HA VAL B 18 2.498 -5.835 -22.068 1.00 25.00 H new ATOM 0 HB VAL B 18 2.942 -5.522 -19.055 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.762 -3.395 -19.279 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.275 -3.407 -20.217 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.712 -3.606 -21.045 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.439 -5.476 -18.995 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.398 -5.732 -20.756 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.033 -7.004 -19.686 1.00 25.00 H new ATOM 599 N CYS B 19 5.378 -5.570 -20.476 1.00 25.00 N ATOM 600 CA CYS B 19 6.672 -4.901 -20.500 1.00 25.00 C ATOM 601 C CYS B 19 7.624 -5.503 -21.500 1.00 25.00 C ATOM 602 O CYS B 19 8.699 -4.959 -21.743 1.00 25.00 O ATOM 603 CB CYS B 19 7.292 -4.940 -19.085 1.00 25.00 C ATOM 604 SG CYS B 19 6.121 -4.280 -17.847 1.00 25.00 S ATOM 0 H CYS B 19 5.270 -6.253 -19.727 1.00 25.00 H new ATOM 0 HA CYS B 19 6.503 -3.871 -20.813 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.560 -5.965 -18.829 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.212 -4.356 -19.070 1.00 25.00 H new ATOM 609 N GLY B 20 7.239 -6.630 -22.106 1.00 25.00 N ATOM 610 CA GLY B 20 8.095 -7.297 -23.078 1.00 25.00 C ATOM 611 C GLY B 20 9.342 -7.820 -22.379 1.00 25.00 C ATOM 612 O GLY B 20 10.439 -7.644 -22.894 1.00 25.00 O ATOM 0 H GLY B 20 6.346 -7.093 -21.939 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.557 -8.120 -23.549 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.373 -6.603 -23.871 1.00 25.00 H new ATOM 616 N GLU B 21 9.131 -8.342 -21.168 1.00 25.00 N ATOM 617 CA GLU B 21 10.173 -8.779 -20.214 1.00 25.00 C ATOM 618 C GLU B 21 11.089 -7.692 -19.617 1.00 25.00 C ATOM 619 O GLU B 21 11.495 -7.776 -18.445 1.00 25.00 O ATOM 620 CB GLU B 21 11.009 -9.886 -20.854 1.00 25.00 C ATOM 621 CG GLU B 21 11.776 -10.726 -19.859 1.00 25.00 C ATOM 622 CD GLU B 21 13.111 -11.203 -20.414 1.00 25.00 C ATOM 623 OE1 GLU B 21 13.120 -11.984 -21.389 1.00 25.00 O ATOM 624 OE2 GLU B 21 14.149 -10.751 -19.884 1.00 25.00 O ATOM 0 H GLU B 21 8.189 -8.481 -20.802 1.00 25.00 H new ATOM 0 HA GLU B 21 9.614 -9.132 -19.348 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.352 -10.535 -21.433 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.713 -9.437 -21.555 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.948 -10.145 -18.953 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.174 -11.589 -19.575 1.00 25.00 H new ATOM 631 N ARG B 22 11.425 -6.667 -20.393 1.00 25.00 N ATOM 632 CA ARG B 22 12.386 -5.629 -19.969 1.00 25.00 C ATOM 633 C ARG B 22 11.882 -4.687 -18.843 1.00 25.00 C ATOM 634 O ARG B 22 11.757 -3.490 -19.041 1.00 25.00 O ATOM 635 CB ARG B 22 12.869 -4.785 -21.182 1.00 25.00 C ATOM 636 CG ARG B 22 11.752 -4.168 -22.068 1.00 25.00 C ATOM 637 CD ARG B 22 12.360 -3.197 -23.087 1.00 25.00 C ATOM 638 NE ARG B 22 11.338 -2.548 -23.922 1.00 25.00 N ATOM 639 CZ ARG B 22 11.234 -2.642 -25.232 1.00 25.00 C ATOM 640 NH1 ARG B 22 12.035 -3.400 -25.961 1.00 25.00 N ATOM 641 NH2 ARG B 22 10.301 -1.977 -25.856 1.00 25.00 N ATOM 0 H ARG B 22 11.047 -6.524 -21.330 1.00 25.00 H new ATOM 0 HA ARG B 22 13.218 -6.188 -19.541 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.498 -3.977 -20.810 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.498 -5.415 -21.811 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.211 -4.959 -22.587 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.029 -3.644 -21.442 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.933 -2.434 -22.560 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.059 -3.736 -23.726 1.00 25.00 H new ATOM 0 HE ARG B 22 10.646 -1.972 -23.443 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.772 -3.944 -25.511 1.00 25.00 H new ATOM 0 HH12 ARG B 22 11.916 -3.441 -26.973 1.00 25.00 H new ATOM 0 HH21 ARG B 22 9.656 -1.387 -25.330 1.00 25.00 H new ATOM 0 HH22 ARG B 22 10.217 -2.047 -26.870 1.00 25.00 H new ATOM 655 N GLY B 23 11.666 -5.216 -17.645 1.00 25.00 N ATOM 656 CA GLY B 23 11.291 -4.387 -16.505 1.00 25.00 C ATOM 657 C GLY B 23 11.396 -5.055 -15.135 1.00 25.00 C ATOM 658 O GLY B 23 11.946 -4.500 -14.196 1.00 25.00 O ATOM 0 H GLY B 23 11.744 -6.212 -17.437 1.00 25.00 H new ATOM 0 HA2 GLY B 23 11.921 -3.497 -16.504 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.264 -4.050 -16.647 1.00 25.00 H new ATOM 662 N PHE B 24 10.858 -6.259 -15.029 1.00 25.00 N ATOM 663 CA PHE B 24 10.814 -6.974 -13.762 1.00 25.00 C ATOM 664 C PHE B 24 11.876 -8.054 -13.726 1.00 25.00 C ATOM 665 O PHE B 24 12.417 -8.436 -14.768 1.00 25.00 O ATOM 666 CB PHE B 24 9.425 -7.605 -13.562 1.00 25.00 C ATOM 667 CG PHE B 24 9.125 -8.706 -14.525 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.748 -8.405 -15.849 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.242 -10.063 -14.128 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.493 -9.445 -16.775 1.00 25.00 C ATOM 671 CE2 PHE B 24 8.995 -11.103 -15.055 1.00 25.00 C ATOM 672 CZ PHE B 24 8.623 -10.793 -16.378 1.00 25.00 C ATOM 0 H PHE B 24 10.443 -6.766 -15.811 1.00 25.00 H new ATOM 0 HA PHE B 24 11.007 -6.265 -12.957 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.354 -7.993 -12.546 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.665 -6.830 -13.661 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.653 -7.375 -16.159 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.521 -10.303 -13.113 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.199 -9.207 -17.786 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.092 -12.134 -14.749 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.438 -11.586 -17.087 1.00 25.00 H new ATOM 682 N PHE B 25 12.144 -8.565 -12.536 1.00 25.00 N ATOM 683 CA PHE B 25 13.093 -9.644 -12.391 1.00 25.00 C ATOM 684 C PHE B 25 12.547 -10.665 -11.408 1.00 25.00 C ATOM 685 O PHE B 25 12.598 -10.469 -10.182 1.00 25.00 O ATOM 686 CB PHE B 25 14.466 -9.095 -11.924 1.00 25.00 C ATOM 687 CG PHE B 25 15.501 -10.167 -11.744 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.983 -10.875 -12.855 1.00 25.00 C ATOM 689 CD2 PHE B 25 15.988 -10.475 -10.458 1.00 25.00 C ATOM 690 CE1 PHE B 25 16.983 -11.905 -12.669 1.00 25.00 C ATOM 691 CE2 PHE B 25 16.961 -11.509 -10.255 1.00 25.00 C ATOM 692 CZ PHE B 25 17.463 -12.213 -11.355 1.00 25.00 C ATOM 0 H PHE B 25 11.718 -8.249 -11.664 1.00 25.00 H new ATOM 0 HA PHE B 25 13.242 -10.131 -13.355 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.827 -8.369 -12.653 1.00 25.00 H new ATOM 0 HB3 PHE B 25 14.336 -8.563 -10.982 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.610 -10.653 -13.844 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.621 -9.921 -9.607 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.368 -12.442 -13.523 1.00 25.00 H new ATOM 0 HE2 PHE B 25 17.304 -11.743 -9.258 1.00 25.00 H new ATOM 0 HZ PHE B 25 18.207 -12.983 -11.214 1.00 25.00 H new HETATM 702 N NVA B 26 11.951 -11.722 -11.983 1.00 25.00 N HETATM 703 CA NVA B 26 11.250 -12.846 -11.279 1.00 25.00 C HETATM 704 CB NVA B 26 10.388 -13.684 -12.286 1.00 25.00 C HETATM 705 CG NVA B 26 11.205 -14.174 -13.520 1.00 25.00 C HETATM 706 CD NVA B 26 10.440 -15.175 -14.437 1.00 25.00 C HETATM 707 C NVA B 26 12.166 -13.793 -10.429 1.00 25.00 C HETATM 708 O NVA B 26 11.684 -14.604 -9.657 1.00 25.00 O HETATM 0 HG3 NVA B 26 11.500 -13.308 -14.113 1.00 25.00 H new HETATM 0 HG2 NVA B 26 12.122 -14.648 -13.169 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.537 -14.700 -14.820 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.969 -14.547 -11.768 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.548 -13.079 -12.629 1.00 25.00 H new HETATM 0 HA NVA B 26 10.609 -12.349 -10.551 1.00 25.00 H new HETATM 0 H NVA B 26 11.827 -11.593 -12.987 1.00 25.00 H new ATOM 717 N THR B 27 13.489 -13.623 -10.646 1.00 25.00 N ATOM 718 CA THR B 27 14.641 -14.438 -10.197 1.00 25.00 C ATOM 719 C THR B 27 14.626 -15.718 -11.029 1.00 25.00 C ATOM 720 O THR B 27 13.576 -16.053 -11.584 1.00 25.00 O ATOM 721 CB THR B 27 14.697 -14.700 -8.653 1.00 25.00 C ATOM 722 OG1 THR B 27 13.656 -15.596 -8.241 1.00 25.00 O ATOM 723 CG2 THR B 27 14.569 -13.349 -7.891 1.00 25.00 C ATOM 0 H THR B 27 13.810 -12.828 -11.198 1.00 25.00 H new ATOM 0 HA THR B 27 15.562 -13.880 -10.365 1.00 25.00 H new ATOM 0 HB THR B 27 15.654 -15.165 -8.417 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.784 -15.209 -8.465 1.00 25.00 H new ATOM 0 HG21 THR B 27 14.608 -13.532 -6.817 1.00 25.00 H new ATOM 0 HG22 THR B 27 15.389 -12.691 -8.177 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.620 -12.877 -8.144 1.00 25.00 H new ATOM 731 N PRO B 28 15.783 -16.393 -11.206 1.00 25.00 N ATOM 732 CA PRO B 28 15.775 -17.514 -12.162 1.00 25.00 C ATOM 733 C PRO B 28 15.026 -18.764 -11.730 1.00 25.00 C ATOM 734 O PRO B 28 15.509 -19.604 -10.961 1.00 25.00 O ATOM 735 CB PRO B 28 17.263 -17.817 -12.362 1.00 25.00 C ATOM 736 CG PRO B 28 17.887 -17.428 -11.111 1.00 25.00 C ATOM 737 CD PRO B 28 17.145 -16.173 -10.667 1.00 25.00 C ATOM 0 HA PRO B 28 15.232 -17.223 -13.062 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.427 -18.873 -12.575 1.00 25.00 H new ATOM 0 HB3 PRO B 28 17.673 -17.255 -13.201 1.00 25.00 H new ATOM 0 HG2 PRO B 28 17.803 -18.219 -10.366 1.00 25.00 H new ATOM 0 HG3 PRO B 28 18.950 -17.230 -11.246 1.00 25.00 H new ATOM 0 HD2 PRO B 28 17.139 -16.068 -9.582 1.00 25.00 H new ATOM 0 HD3 PRO B 28 17.600 -15.269 -11.072 1.00 25.00 H new HETATM 745 N HIX B 29 13.822 -18.866 -12.317 1.00 25.00 N HETATM 746 CA HIX B 29 12.908 -20.030 -12.212 1.00 25.00 C HETATM 747 C HIX B 29 13.260 -21.094 -13.264 1.00 25.00 C HETATM 748 O HIX B 29 12.781 -21.131 -14.400 1.00 25.00 O HETATM 749 CB HIX B 29 11.410 -19.590 -12.241 1.00 25.00 C HETATM 750 CG HIX B 29 11.152 -18.478 -13.210 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.969 -17.215 -12.941 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.037 -18.664 -14.539 1.00 25.00 N HETATM 753 NE1 HIX B 29 10.832 -17.437 -15.259 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.753 -16.564 -14.108 1.00 25.00 N ATOM 762 N THR B 30 14.185 -21.976 -12.866 1.00 25.00 N ATOM 763 CA THR B 30 14.734 -23.091 -13.659 1.00 25.00 C ATOM 764 C THR B 30 15.340 -24.035 -12.668 1.00 25.00 C ATOM 765 O THR B 30 15.588 -23.587 -11.529 1.00 25.00 O ATOM 766 CB THR B 30 15.824 -22.610 -14.681 1.00 25.00 C ATOM 767 OG1 THR B 30 16.380 -23.741 -15.350 1.00 25.00 O ATOM 768 CG2 THR B 30 16.950 -21.877 -14.002 1.00 25.00 C ATOM 769 OXT THR B 30 15.575 -25.202 -13.038 1.00 25.00 O ATOM 0 H THR B 30 14.595 -21.932 -11.933 1.00 25.00 H new ATOM 0 HA THR B 30 13.948 -23.558 -14.252 1.00 25.00 H new ATOM 0 HB THR B 30 15.334 -21.933 -15.381 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.207 -24.550 -14.824 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.681 -21.563 -14.747 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.556 -21.000 -13.488 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.430 -22.537 -13.279 1.00 25.00 H new TER 777 THR B 30