USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 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 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Set 1.1: A 15 GLN : amide:sc= -0.073 K(o=0.046,f=-2.4) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.119 K(o=0.046,f=-0.59) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 9 SER OG : rot 85:sc= 1.14 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.0475 K(o=0.048,f=-2.4!) USER MOD Single : B 4 GLN : amide:sc= 0.442 X(o=0.44,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.285 X(o=-0.29,f=-0.48) USER MOD Single : B 9 SER OG : rot 180:sc= 0.069 USER MOD Single : B 10 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.23) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.136 -0.796 0.895 1.00 25.00 N ATOM 2 CA GLY A 1 2.339 0.178 0.092 1.00 25.00 C ATOM 3 C GLY A 1 1.388 -0.466 -0.911 1.00 25.00 C ATOM 4 O GLY A 1 0.621 -1.361 -0.622 1.00 25.00 O ATOM 0 H1 GLY A 1 3.756 -0.280 1.551 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.493 -1.409 1.436 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.715 -1.379 0.258 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.762 0.805 0.772 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.024 0.835 -0.444 1.00 25.00 H new ATOM 9 N ILE A 2 1.519 -0.024 -2.178 1.00 25.00 N ATOM 10 CA ILE A 2 0.724 -0.555 -3.293 1.00 25.00 C ATOM 11 C ILE A 2 0.892 -2.058 -3.449 1.00 25.00 C ATOM 12 O ILE A 2 -0.037 -2.758 -3.830 1.00 25.00 O ATOM 13 CB ILE A 2 1.126 0.145 -4.645 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.221 -0.322 -5.805 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.637 -0.101 -4.983 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.380 0.494 -7.040 1.00 25.00 C ATOM 0 H ILE A 2 2.176 0.707 -2.451 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.320 -0.345 -3.060 1.00 25.00 H new ATOM 0 HB ILE A 2 0.981 1.218 -4.516 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.445 -1.364 -6.035 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.820 -0.283 -5.483 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.885 0.394 -5.922 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.259 0.303 -4.184 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.819 -1.171 -5.078 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -0.284 0.113 -7.816 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.128 1.532 -6.825 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.412 0.435 -7.385 1.00 25.00 H new ATOM 28 N VAL A 3 2.067 -2.577 -3.138 1.00 25.00 N ATOM 29 CA VAL A 3 2.334 -3.989 -3.318 1.00 25.00 C ATOM 30 C VAL A 3 1.419 -4.798 -2.404 1.00 25.00 C ATOM 31 O VAL A 3 0.723 -5.708 -2.853 1.00 25.00 O ATOM 32 CB VAL A 3 3.824 -4.303 -3.031 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.094 -5.819 -3.105 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.719 -3.558 -4.042 1.00 25.00 C ATOM 0 H VAL A 3 2.849 -2.041 -2.760 1.00 25.00 H new ATOM 0 HA VAL A 3 2.132 -4.265 -4.353 1.00 25.00 H new ATOM 0 HB VAL A 3 4.058 -3.965 -2.022 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.147 -6.011 -2.900 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.480 -6.334 -2.366 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.846 -6.185 -4.101 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.766 -3.782 -3.836 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.471 -3.880 -5.053 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.553 -2.484 -3.952 1.00 25.00 H new ATOM 44 N GLU A 4 1.374 -4.437 -1.133 1.00 25.00 N ATOM 45 CA GLU A 4 0.579 -5.182 -0.157 1.00 25.00 C ATOM 46 C GLU A 4 -0.922 -4.956 -0.328 1.00 25.00 C ATOM 47 O GLU A 4 -1.728 -5.805 0.015 1.00 25.00 O ATOM 48 CB GLU A 4 1.008 -4.800 1.257 1.00 25.00 C ATOM 49 CG GLU A 4 2.475 -5.106 1.541 1.00 25.00 C ATOM 50 CD GLU A 4 2.811 -4.999 2.999 1.00 25.00 C ATOM 51 OE1 GLU A 4 3.301 -5.878 3.630 1.00 25.00 O ATOM 52 OE2 GLU A 4 2.502 -3.866 3.526 1.00 25.00 O ATOM 0 H GLU A 4 1.875 -3.636 -0.748 1.00 25.00 H new ATOM 0 HA GLU A 4 0.764 -6.242 -0.329 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.829 -3.736 1.409 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.386 -5.334 1.976 1.00 25.00 H new ATOM 0 HG2 GLU A 4 2.708 -6.111 1.190 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.103 -4.418 0.975 1.00 25.00 H new ATOM 60 N GLN A 5 -1.289 -3.818 -0.880 1.00 25.00 N ATOM 61 CA GLN A 5 -2.696 -3.499 -1.101 1.00 25.00 C ATOM 62 C GLN A 5 -3.246 -4.008 -2.433 1.00 25.00 C ATOM 63 O GLN A 5 -4.450 -4.192 -2.568 1.00 25.00 O ATOM 64 CB GLN A 5 -2.897 -1.988 -1.012 1.00 25.00 C ATOM 65 CG GLN A 5 -3.086 -1.502 0.417 1.00 25.00 C ATOM 66 CD GLN A 5 -4.421 -1.924 0.997 1.00 25.00 C ATOM 67 OE1 GLN A 5 -5.467 -1.547 0.495 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.391 -2.712 2.044 1.00 25.00 N ATOM 0 H GLN A 5 -0.638 -3.095 -1.186 1.00 25.00 H new ATOM 0 HA GLN A 5 -3.254 -4.016 -0.320 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.036 -1.485 -1.451 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.767 -1.706 -1.605 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.282 -1.893 1.040 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.009 -0.415 0.442 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.496 -3.006 2.436 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.262 -3.031 2.467 1.00 25.00 H new ATOM 77 N CYS A 6 -2.383 -4.207 -3.425 1.00 25.00 N ATOM 78 CA CYS A 6 -2.832 -4.562 -4.767 1.00 25.00 C ATOM 79 C CYS A 6 -2.316 -5.897 -5.285 1.00 25.00 C ATOM 80 O CYS A 6 -3.066 -6.667 -5.889 1.00 25.00 O ATOM 81 CB CYS A 6 -2.415 -3.448 -5.731 1.00 25.00 C ATOM 82 SG CYS A 6 -3.339 -3.357 -7.300 1.00 25.00 S ATOM 0 H CYS A 6 -1.371 -4.129 -3.325 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.915 -4.673 -4.708 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.518 -2.493 -5.216 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.357 -3.573 -5.963 1.00 25.00 H new ATOM 87 N CYS A 7 -1.056 -6.211 -5.030 1.00 25.00 N ATOM 88 CA CYS A 7 -0.556 -7.528 -5.410 1.00 25.00 C ATOM 89 C CYS A 7 -1.051 -8.537 -4.366 1.00 25.00 C ATOM 90 O CYS A 7 -1.735 -9.513 -4.687 1.00 25.00 O ATOM 91 CB CYS A 7 0.974 -7.517 -5.509 1.00 25.00 C ATOM 92 SG CYS A 7 1.671 -8.996 -6.321 1.00 25.00 S ATOM 0 H CYS A 7 -0.378 -5.598 -4.577 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.929 -7.811 -6.394 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.287 -6.630 -6.060 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.393 -7.433 -4.506 1.00 25.00 H new ATOM 97 N THR A 8 -0.748 -8.270 -3.100 1.00 25.00 N ATOM 98 CA THR A 8 -1.130 -9.166 -2.004 1.00 25.00 C ATOM 99 C THR A 8 -2.635 -9.128 -1.708 1.00 25.00 C ATOM 100 O THR A 8 -3.251 -10.166 -1.514 1.00 25.00 O ATOM 101 CB THR A 8 -0.348 -8.790 -0.727 1.00 25.00 C ATOM 102 OG1 THR A 8 1.036 -8.645 -1.053 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.479 -9.858 0.352 1.00 25.00 C ATOM 0 H THR A 8 -0.237 -7.439 -2.803 1.00 25.00 H new ATOM 0 HA THR A 8 -0.883 -10.180 -2.318 1.00 25.00 H new ATOM 0 HB THR A 8 -0.763 -7.858 -0.343 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.539 -8.404 -0.247 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.086 -9.555 1.234 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.529 -9.980 0.618 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.087 -10.804 -0.023 1.00 25.00 H new ATOM 111 N SER A 9 -3.232 -7.942 -1.696 1.00 25.00 N ATOM 112 CA SER A 9 -4.663 -7.796 -1.396 1.00 25.00 C ATOM 113 C SER A 9 -5.447 -7.327 -2.613 1.00 25.00 C ATOM 114 O SER A 9 -4.895 -7.191 -3.691 1.00 25.00 O ATOM 115 CB SER A 9 -4.859 -6.809 -0.251 1.00 25.00 C ATOM 116 OG SER A 9 -4.013 -7.123 0.841 1.00 25.00 O ATOM 0 H SER A 9 -2.752 -7.063 -1.890 1.00 25.00 H new ATOM 0 HA SER A 9 -5.041 -8.777 -1.107 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.650 -5.797 -0.599 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.899 -6.826 0.074 1.00 25.00 H new ATOM 0 HG SER A 9 -3.132 -6.718 0.699 1.00 25.00 H new ATOM 122 N ILE A 10 -6.740 -7.098 -2.436 1.00 25.00 N ATOM 123 CA ILE A 10 -7.595 -6.616 -3.521 1.00 25.00 C ATOM 124 C ILE A 10 -7.504 -5.098 -3.563 1.00 25.00 C ATOM 125 O ILE A 10 -7.832 -4.432 -2.587 1.00 25.00 O ATOM 126 CB ILE A 10 -9.086 -7.025 -3.275 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.245 -8.558 -3.259 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.026 -6.387 -4.333 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.011 -9.240 -4.608 1.00 25.00 C ATOM 0 H ILE A 10 -7.225 -7.238 -1.550 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.262 -7.055 -4.461 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.374 -6.644 -2.295 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.548 -8.974 -2.531 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.250 -8.802 -2.914 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.054 -6.690 -4.136 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.951 -5.301 -4.279 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.734 -6.722 -5.328 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.144 -10.316 -4.500 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.725 -8.858 -5.338 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.997 -9.033 -4.949 1.00 25.00 H new ATOM 141 N CYS A 11 -7.111 -4.563 -4.709 1.00 25.00 N ATOM 142 CA CYS A 11 -7.059 -3.122 -4.893 1.00 25.00 C ATOM 143 C CYS A 11 -8.170 -2.669 -5.810 1.00 25.00 C ATOM 144 O CYS A 11 -8.647 -3.420 -6.656 1.00 25.00 O ATOM 145 CB CYS A 11 -5.732 -2.733 -5.514 1.00 25.00 C ATOM 146 SG CYS A 11 -5.255 -3.856 -6.865 1.00 25.00 S ATOM 0 H CYS A 11 -6.824 -5.105 -5.524 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.173 -2.646 -3.919 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.795 -1.714 -5.895 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.957 -2.739 -4.747 1.00 25.00 H new ATOM 151 N SER A 12 -8.531 -1.406 -5.674 1.00 25.00 N ATOM 152 CA SER A 12 -9.546 -0.784 -6.504 1.00 25.00 C ATOM 153 C SER A 12 -8.911 0.428 -7.151 1.00 25.00 C ATOM 154 O SER A 12 -7.927 0.970 -6.629 1.00 25.00 O ATOM 155 CB SER A 12 -10.734 -0.342 -5.646 1.00 25.00 C ATOM 156 OG SER A 12 -11.284 -1.451 -4.957 1.00 25.00 O ATOM 0 H SER A 12 -8.125 -0.779 -4.980 1.00 25.00 H new ATOM 0 HA SER A 12 -9.910 -1.487 -7.253 1.00 25.00 H new ATOM 0 HB2 SER A 12 -10.413 0.416 -4.931 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.496 0.117 -6.276 1.00 25.00 H new ATOM 0 HG SER A 12 -12.042 -1.154 -4.411 1.00 25.00 H new ATOM 162 N LEU A 13 -9.499 0.889 -8.243 1.00 25.00 N ATOM 163 CA LEU A 13 -9.020 2.071 -8.956 1.00 25.00 C ATOM 164 C LEU A 13 -8.930 3.294 -8.039 1.00 25.00 C ATOM 165 O LEU A 13 -8.020 4.105 -8.165 1.00 25.00 O ATOM 166 CB LEU A 13 -9.934 2.371 -10.159 1.00 25.00 C ATOM 167 CG LEU A 13 -11.407 2.800 -9.941 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.879 3.552 -11.181 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.348 1.610 -9.682 1.00 25.00 C ATOM 0 H LEU A 13 -10.322 0.457 -8.663 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.013 1.856 -9.313 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.453 3.158 -10.740 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -9.948 1.477 -10.783 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.441 3.430 -9.052 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.915 3.862 -11.046 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.254 4.432 -11.333 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.806 2.900 -12.052 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.365 1.975 -9.537 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.323 0.934 -10.537 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.023 1.077 -8.788 1.00 25.00 H new ATOM 181 N TYR A 14 -9.833 3.367 -7.073 1.00 25.00 N ATOM 182 CA TYR A 14 -9.845 4.460 -6.112 1.00 25.00 C ATOM 183 C TYR A 14 -8.552 4.523 -5.306 1.00 25.00 C ATOM 184 O TYR A 14 -7.966 5.579 -5.136 1.00 25.00 O ATOM 185 CB TYR A 14 -11.036 4.280 -5.158 1.00 25.00 C ATOM 186 CG TYR A 14 -11.239 5.452 -4.236 1.00 25.00 C ATOM 187 CD1 TYR A 14 -11.973 6.584 -4.653 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.716 5.436 -2.927 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.188 7.675 -3.772 1.00 25.00 C ATOM 190 CE2 TYR A 14 -10.923 6.524 -2.047 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.662 7.631 -2.478 1.00 25.00 C ATOM 192 OH TYR A 14 -11.874 8.685 -1.631 1.00 25.00 O ATOM 0 H TYR A 14 -10.572 2.678 -6.933 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.937 5.395 -6.665 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -11.942 4.125 -5.744 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.884 3.380 -4.563 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.376 6.620 -5.655 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.149 4.580 -2.591 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -12.755 8.534 -4.099 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.513 6.500 -1.048 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.446 8.503 -0.768 1.00 25.00 H new ATOM 202 N GLN A 15 -8.067 3.376 -4.847 1.00 25.00 N ATOM 203 CA GLN A 15 -6.807 3.350 -4.106 1.00 25.00 C ATOM 204 C GLN A 15 -5.658 3.591 -5.071 1.00 25.00 C ATOM 205 O GLN A 15 -4.713 4.291 -4.744 1.00 25.00 O ATOM 206 CB GLN A 15 -6.611 2.018 -3.374 1.00 25.00 C ATOM 207 CG GLN A 15 -7.520 1.842 -2.156 1.00 25.00 C ATOM 208 CD GLN A 15 -7.118 2.705 -0.953 1.00 25.00 C ATOM 209 OE1 GLN A 15 -6.286 3.589 -1.049 1.00 25.00 O ATOM 210 NE2 GLN A 15 -7.719 2.441 0.179 1.00 25.00 N ATOM 0 H GLN A 15 -8.514 2.467 -4.970 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.832 4.137 -3.352 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -6.792 1.201 -4.072 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.572 1.939 -3.054 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.544 2.086 -2.440 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.513 0.794 -1.858 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.412 1.694 0.227 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.495 2.983 1.014 1.00 25.00 H new ATOM 219 N LEU A 16 -5.757 3.058 -6.281 1.00 25.00 N ATOM 220 CA LEU A 16 -4.696 3.269 -7.267 1.00 25.00 C ATOM 221 C LEU A 16 -4.491 4.748 -7.580 1.00 25.00 C ATOM 222 O LEU A 16 -3.360 5.178 -7.785 1.00 25.00 O ATOM 223 CB LEU A 16 -4.978 2.498 -8.545 1.00 25.00 C ATOM 224 CG LEU A 16 -4.256 1.147 -8.645 1.00 25.00 C ATOM 225 CD1 LEU A 16 -4.650 0.179 -7.541 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.547 0.521 -9.997 1.00 25.00 C ATOM 0 H LEU A 16 -6.540 2.489 -6.603 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.774 2.892 -6.824 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.052 2.328 -8.623 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.690 3.114 -9.397 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.190 1.343 -8.530 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -4.106 -0.757 -7.667 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.405 0.613 -6.572 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -5.722 -0.014 -7.592 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.036 -0.439 -10.071 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.621 0.369 -10.104 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.194 1.183 -10.788 1.00 25.00 H new ATOM 238 N GLU A 17 -5.547 5.550 -7.532 1.00 25.00 N ATOM 239 CA GLU A 17 -5.395 6.996 -7.697 1.00 25.00 C ATOM 240 C GLU A 17 -4.468 7.579 -6.634 1.00 25.00 C ATOM 241 O GLU A 17 -3.675 8.480 -6.919 1.00 25.00 O ATOM 242 CB GLU A 17 -6.752 7.713 -7.627 1.00 25.00 C ATOM 243 CG GLU A 17 -7.641 7.482 -8.840 1.00 25.00 C ATOM 244 CD GLU A 17 -8.966 8.173 -8.725 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.815 7.872 -7.933 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.133 9.125 -9.570 1.00 25.00 O ATOM 0 H GLU A 17 -6.505 5.234 -7.383 1.00 25.00 H new ATOM 0 HA GLU A 17 -4.957 7.157 -8.682 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.281 7.380 -6.734 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.580 8.783 -7.515 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.128 7.835 -9.734 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.804 6.412 -8.968 1.00 25.00 H new ATOM 254 N ASN A 18 -4.507 7.042 -5.419 1.00 25.00 N ATOM 255 CA ASN A 18 -3.658 7.548 -4.332 1.00 25.00 C ATOM 256 C ASN A 18 -2.204 7.161 -4.552 1.00 25.00 C ATOM 257 O ASN A 18 -1.297 7.748 -3.980 1.00 25.00 O ATOM 258 CB ASN A 18 -4.128 7.001 -2.978 1.00 25.00 C ATOM 259 CG ASN A 18 -5.527 7.436 -2.628 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.934 8.550 -2.907 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.276 6.554 -2.026 1.00 25.00 N ATOM 0 H ASN A 18 -5.110 6.262 -5.158 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.740 8.635 -4.330 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.085 5.912 -2.996 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.443 7.334 -2.199 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.236 6.788 -1.773 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.902 5.631 -1.808 1.00 25.00 H new ATOM 268 N TYR A 19 -1.987 6.186 -5.428 1.00 25.00 N ATOM 269 CA TYR A 19 -0.629 5.751 -5.764 1.00 25.00 C ATOM 270 C TYR A 19 -0.141 6.484 -7.012 1.00 25.00 C ATOM 271 O TYR A 19 0.964 6.252 -7.489 1.00 25.00 O ATOM 272 CB TYR A 19 -0.588 4.241 -5.988 1.00 25.00 C ATOM 273 CG TYR A 19 -1.161 3.441 -4.837 1.00 25.00 C ATOM 274 CD1 TYR A 19 -0.905 3.800 -3.496 1.00 25.00 C ATOM 275 CD2 TYR A 19 -1.976 2.319 -5.083 1.00 25.00 C ATOM 276 CE1 TYR A 19 -1.467 3.050 -2.421 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.529 1.565 -4.016 1.00 25.00 C ATOM 278 CZ TYR A 19 -2.274 1.944 -2.696 1.00 25.00 C ATOM 279 OH TYR A 19 -2.824 1.226 -1.672 1.00 25.00 O ATOM 0 H TYR A 19 -2.727 5.682 -5.918 1.00 25.00 H new ATOM 0 HA TYR A 19 0.030 5.992 -4.930 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.141 4.002 -6.896 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.445 3.935 -6.154 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -0.277 4.652 -3.282 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.184 2.027 -6.102 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.269 3.336 -1.399 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.144 0.702 -4.223 1.00 25.00 H new ATOM 0 HH TYR A 19 -3.358 0.490 -2.038 1.00 25.00 H new ATOM 289 N CYS A 20 -0.985 7.366 -7.535 1.00 25.00 N ATOM 290 CA CYS A 20 -0.620 8.212 -8.660 1.00 25.00 C ATOM 291 C CYS A 20 -0.305 9.595 -8.109 1.00 25.00 C ATOM 292 O CYS A 20 0.722 10.192 -8.412 1.00 25.00 O ATOM 293 CB CYS A 20 -1.772 8.297 -9.662 1.00 25.00 C ATOM 294 SG CYS A 20 -1.263 9.007 -11.248 1.00 25.00 S ATOM 0 H CYS A 20 -1.935 7.513 -7.193 1.00 25.00 H new ATOM 0 HA CYS A 20 0.243 7.798 -9.180 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.179 7.299 -9.828 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.574 8.901 -9.238 1.00 25.00 H new ATOM 299 N ASN A 21 -1.226 10.069 -7.252 1.00 25.00 N ATOM 300 CA ASN A 21 -1.131 11.353 -6.544 1.00 25.00 C ATOM 301 C ASN A 21 -1.002 12.550 -7.515 1.00 25.00 C ATOM 302 O ASN A 21 -1.949 13.054 -8.073 1.00 25.00 O ATOM 303 CB ASN A 21 -0.044 11.310 -5.443 1.00 25.00 C ATOM 304 CG ASN A 21 -0.182 12.516 -4.565 1.00 25.00 C ATOM 305 OD1 ASN A 21 -1.163 12.748 -3.902 1.00 25.00 O ATOM 306 ND2 ASN A 21 0.855 13.338 -4.545 1.00 25.00 N ATOM 307 OXT ASN A 21 0.198 13.013 -7.713 1.00 25.00 O ATOM 0 H ASN A 21 -2.078 9.555 -7.028 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.074 11.520 -6.023 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -0.146 10.401 -4.850 1.00 25.00 H new ATOM 0 HB3 ASN A 21 0.947 11.286 -5.895 1.00 25.00 H new ATOM 0 HD21 ASN A 21 0.830 14.177 -3.965 1.00 25.00 H new ATOM 0 HD22 ASN A 21 1.680 13.133 -5.109 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.980 -0.957 -15.414 1.00 25.00 N ATOM 317 CA PHE B 1 -12.123 -1.386 -14.272 1.00 25.00 C ATOM 318 C PHE B 1 -12.832 -2.202 -13.197 1.00 25.00 C ATOM 319 O PHE B 1 -13.808 -1.802 -12.601 1.00 25.00 O ATOM 320 CB PHE B 1 -11.523 -0.131 -13.612 1.00 25.00 C ATOM 321 CG PHE B 1 -10.332 -0.392 -12.708 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.481 -1.087 -11.498 1.00 25.00 C ATOM 323 CD2 PHE B 1 -9.067 0.069 -13.083 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.374 -1.332 -10.687 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.964 -0.166 -12.267 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.116 -0.874 -11.069 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.409 -0.410 -16.090 1.00 25.00 H new ATOM 0 H2 PHE B 1 -13.370 -1.796 -15.889 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.759 -0.366 -15.060 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.368 -2.045 -14.699 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.221 0.564 -14.395 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.301 0.363 -13.030 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.458 -1.434 -11.194 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.945 0.610 -14.010 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.492 -1.877 -9.762 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.990 0.198 -12.558 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.258 -1.065 -10.441 1.00 25.00 H new ATOM 337 N VAL B 2 -12.268 -3.380 -12.885 1.00 25.00 N ATOM 338 CA VAL B 2 -12.771 -4.238 -11.814 1.00 25.00 C ATOM 339 C VAL B 2 -11.670 -4.408 -10.770 1.00 25.00 C ATOM 340 O VAL B 2 -10.502 -4.619 -11.114 1.00 25.00 O ATOM 341 CB VAL B 2 -13.208 -5.629 -12.350 1.00 25.00 C ATOM 342 CG1 VAL B 2 -13.766 -6.496 -11.216 1.00 25.00 C ATOM 343 CG2 VAL B 2 -14.287 -5.460 -13.444 1.00 25.00 C ATOM 0 H VAL B 2 -11.454 -3.758 -13.369 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.650 -3.768 -11.372 1.00 25.00 H new ATOM 0 HB VAL B 2 -12.332 -6.121 -12.773 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -14.066 -7.466 -11.613 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -12.999 -6.637 -10.455 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -14.631 -6.002 -10.772 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.587 -6.441 -13.814 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -15.154 -4.950 -13.024 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -13.882 -4.871 -14.267 1.00 25.00 H new ATOM 353 N ASN B 3 -12.051 -4.318 -9.508 1.00 25.00 N ATOM 354 CA ASN B 3 -11.124 -4.519 -8.391 1.00 25.00 C ATOM 355 C ASN B 3 -10.740 -5.993 -8.259 1.00 25.00 C ATOM 356 O ASN B 3 -11.597 -6.866 -8.226 1.00 25.00 O ATOM 357 CB ASN B 3 -11.763 -4.015 -7.094 1.00 25.00 C ATOM 358 CG ASN B 3 -13.105 -4.624 -6.835 1.00 25.00 C ATOM 359 OD1 ASN B 3 -14.082 -4.298 -7.496 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.175 -5.490 -5.866 1.00 25.00 N ATOM 0 H ASN B 3 -13.006 -4.105 -9.222 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.214 -3.952 -8.586 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.100 -4.237 -6.257 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.864 -2.931 -7.141 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.068 -5.924 -5.634 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.337 -5.735 -5.339 1.00 25.00 H new ATOM 367 N GLN B 4 -9.443 -6.255 -8.233 1.00 25.00 N ATOM 368 CA GLN B 4 -8.899 -7.620 -8.239 1.00 25.00 C ATOM 369 C GLN B 4 -7.433 -7.522 -7.860 1.00 25.00 C ATOM 370 O GLN B 4 -6.914 -6.422 -7.689 1.00 25.00 O ATOM 371 CB GLN B 4 -9.042 -8.224 -9.648 1.00 25.00 C ATOM 372 CG GLN B 4 -8.294 -7.463 -10.729 1.00 25.00 C ATOM 373 CD GLN B 4 -8.729 -7.855 -12.116 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.315 -8.867 -12.649 1.00 25.00 O ATOM 375 NE2 GLN B 4 -9.564 -7.040 -12.715 1.00 25.00 N ATOM 0 H GLN B 4 -8.727 -5.529 -8.207 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.434 -8.259 -7.536 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.683 -9.253 -9.629 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.099 -8.261 -9.910 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.452 -6.393 -10.591 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.224 -7.644 -10.622 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.889 -6.200 -12.236 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.888 -7.246 -13.660 1.00 25.00 H new ATOM 384 N HIS B 5 -6.756 -8.659 -7.758 1.00 25.00 N ATOM 385 CA HIS B 5 -5.318 -8.665 -7.496 1.00 25.00 C ATOM 386 C HIS B 5 -4.599 -8.287 -8.772 1.00 25.00 C ATOM 387 O HIS B 5 -4.876 -8.857 -9.828 1.00 25.00 O ATOM 388 CB HIS B 5 -4.845 -10.055 -7.067 1.00 25.00 C ATOM 389 CG HIS B 5 -5.349 -10.468 -5.722 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.793 -10.025 -4.529 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.378 -11.280 -5.347 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.481 -10.540 -3.517 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.423 -11.313 -3.988 1.00 25.00 N ATOM 0 H HIS B 5 -7.174 -9.585 -7.852 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.103 -7.958 -6.695 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.170 -10.785 -7.808 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.755 -10.073 -7.059 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -3.987 -9.405 -4.444 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.044 -11.807 -6.015 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.292 -10.350 -2.471 1.00 25.00 H new ATOM 402 N LEU B 6 -3.681 -7.339 -8.688 1.00 25.00 N ATOM 403 CA LEU B 6 -2.920 -6.901 -9.850 1.00 25.00 C ATOM 404 C LEU B 6 -1.481 -6.762 -9.422 1.00 25.00 C ATOM 405 O LEU B 6 -1.197 -6.329 -8.318 1.00 25.00 O ATOM 406 CB LEU B 6 -3.455 -5.558 -10.361 1.00 25.00 C ATOM 407 CG LEU B 6 -4.840 -5.620 -11.023 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.528 -4.279 -10.894 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.711 -6.012 -12.488 1.00 25.00 C ATOM 0 H LEU B 6 -3.442 -6.854 -7.823 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.010 -7.624 -10.661 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.500 -4.860 -9.525 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.744 -5.150 -11.079 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.441 -6.377 -10.518 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.510 -4.327 -11.365 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.643 -4.029 -9.839 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.927 -3.513 -11.385 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.701 -6.052 -12.943 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.101 -5.274 -13.010 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.238 -6.991 -12.562 1.00 25.00 H new ATOM 421 N CYS B 7 -0.564 -7.167 -10.281 1.00 25.00 N ATOM 422 CA CYS B 7 0.862 -7.147 -9.946 1.00 25.00 C ATOM 423 C CYS B 7 1.669 -6.902 -11.223 1.00 25.00 C ATOM 424 O CYS B 7 1.115 -7.003 -12.326 1.00 25.00 O ATOM 425 CB CYS B 7 1.250 -8.473 -9.287 1.00 25.00 C ATOM 426 SG CYS B 7 2.540 -8.292 -8.018 1.00 25.00 S ATOM 0 H CYS B 7 -0.773 -7.515 -11.217 1.00 25.00 H new ATOM 0 HA CYS B 7 1.077 -6.344 -9.241 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.364 -8.919 -8.835 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.599 -9.164 -10.054 1.00 25.00 H new ATOM 431 N GLY B 8 2.942 -6.566 -11.076 1.00 25.00 N ATOM 432 CA GLY B 8 3.819 -6.344 -12.223 1.00 25.00 C ATOM 433 C GLY B 8 3.268 -5.394 -13.274 1.00 25.00 C ATOM 434 O GLY B 8 2.627 -4.384 -12.962 1.00 25.00 O ATOM 0 H GLY B 8 3.395 -6.440 -10.171 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.771 -5.953 -11.864 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.026 -7.304 -12.695 1.00 25.00 H new ATOM 438 N SER B 9 3.461 -5.752 -14.533 1.00 25.00 N ATOM 439 CA SER B 9 2.959 -4.969 -15.658 1.00 25.00 C ATOM 440 C SER B 9 1.442 -4.814 -15.634 1.00 25.00 C ATOM 441 O SER B 9 0.917 -3.819 -16.111 1.00 25.00 O ATOM 442 CB SER B 9 3.394 -5.627 -16.960 1.00 25.00 C ATOM 443 OG SER B 9 4.681 -6.193 -16.788 1.00 25.00 O ATOM 0 H SER B 9 3.969 -6.593 -14.807 1.00 25.00 H new ATOM 0 HA SER B 9 3.381 -3.967 -15.578 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.680 -6.398 -17.248 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.411 -4.892 -17.765 1.00 25.00 H new ATOM 0 HG SER B 9 4.965 -6.620 -17.623 1.00 25.00 H new ATOM 449 N HIS B 10 0.732 -5.767 -15.042 1.00 25.00 N ATOM 450 CA HIS B 10 -0.718 -5.643 -14.908 1.00 25.00 C ATOM 451 C HIS B 10 -1.076 -4.536 -13.925 1.00 25.00 C ATOM 452 O HIS B 10 -2.001 -3.769 -14.163 1.00 25.00 O ATOM 453 CB HIS B 10 -1.345 -6.967 -14.459 1.00 25.00 C ATOM 454 CG HIS B 10 -2.402 -7.468 -15.396 1.00 25.00 C ATOM 455 ND1 HIS B 10 -2.887 -8.779 -15.393 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.080 -6.857 -16.401 1.00 25.00 C ATOM 457 CE1 HIS B 10 -3.797 -8.899 -16.353 1.00 25.00 C ATOM 458 NE2 HIS B 10 -3.926 -7.753 -16.965 1.00 25.00 N ATOM 0 H HIS B 10 1.127 -6.623 -14.652 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.121 -5.386 -15.888 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.562 -7.720 -14.369 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.779 -6.838 -13.468 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -2.964 -5.826 -16.702 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.343 -9.800 -16.590 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -4.560 -7.563 -17.741 1.00 25.00 H new ATOM 467 N LEU B 11 -0.290 -4.412 -12.860 1.00 25.00 N ATOM 468 CA LEU B 11 -0.458 -3.302 -11.917 1.00 25.00 C ATOM 469 C LEU B 11 -0.191 -1.985 -12.638 1.00 25.00 C ATOM 470 O LEU B 11 -0.961 -1.039 -12.532 1.00 25.00 O ATOM 471 CB LEU B 11 0.501 -3.426 -10.735 1.00 25.00 C ATOM 472 CG LEU B 11 -0.159 -3.211 -9.373 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.879 -3.391 -8.263 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.792 -1.838 -9.276 1.00 25.00 C ATOM 0 H LEU B 11 0.464 -5.058 -12.626 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.479 -3.330 -11.536 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.958 -4.415 -10.754 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.306 -2.701 -10.856 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.950 -3.952 -9.257 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.405 -3.237 -7.293 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.291 -4.399 -8.310 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.681 -2.665 -8.394 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.252 -1.718 -8.295 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.027 -1.074 -9.414 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.553 -1.733 -10.049 1.00 25.00 H new ATOM 486 N VAL B 12 0.905 -1.936 -13.387 1.00 25.00 N ATOM 487 CA VAL B 12 1.271 -0.713 -14.117 1.00 25.00 C ATOM 488 C VAL B 12 0.174 -0.337 -15.120 1.00 25.00 C ATOM 489 O VAL B 12 -0.225 0.818 -15.199 1.00 25.00 O ATOM 490 CB VAL B 12 2.639 -0.879 -14.859 1.00 25.00 C ATOM 491 CG1 VAL B 12 3.013 0.396 -15.635 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.748 -1.192 -13.859 1.00 25.00 C ATOM 0 H VAL B 12 1.553 -2.715 -13.508 1.00 25.00 H new ATOM 0 HA VAL B 12 1.376 0.088 -13.386 1.00 25.00 H new ATOM 0 HB VAL B 12 2.531 -1.703 -15.565 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.968 0.248 -16.139 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.242 0.611 -16.375 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.094 1.233 -14.942 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.694 -1.305 -14.388 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.830 -0.377 -13.140 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.513 -2.118 -13.334 1.00 25.00 H new ATOM 502 N GLU B 13 -0.365 -1.318 -15.832 1.00 25.00 N ATOM 503 CA GLU B 13 -1.458 -1.088 -16.776 1.00 25.00 C ATOM 504 C GLU B 13 -2.689 -0.532 -16.089 1.00 25.00 C ATOM 505 O GLU B 13 -3.314 0.382 -16.584 1.00 25.00 O ATOM 506 CB GLU B 13 -1.854 -2.393 -17.468 1.00 25.00 C ATOM 507 CG GLU B 13 -0.996 -2.738 -18.660 1.00 25.00 C ATOM 508 CD GLU B 13 -1.238 -4.136 -19.153 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.728 -5.013 -18.479 1.00 25.00 O ATOM 510 OE2 GLU B 13 -0.877 -4.312 -20.390 1.00 25.00 O ATOM 0 H GLU B 13 -0.062 -2.290 -15.775 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.093 -0.363 -17.504 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.799 -3.207 -16.745 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.893 -2.322 -17.789 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.197 -2.032 -19.465 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.055 -2.627 -18.393 1.00 25.00 H new ATOM 518 N ALA B 14 -3.041 -1.090 -14.945 1.00 25.00 N ATOM 519 CA ALA B 14 -4.212 -0.616 -14.217 1.00 25.00 C ATOM 520 C ALA B 14 -4.015 0.829 -13.774 1.00 25.00 C ATOM 521 O ALA B 14 -4.918 1.657 -13.933 1.00 25.00 O ATOM 522 CB ALA B 14 -4.476 -1.523 -13.035 1.00 25.00 C ATOM 0 H ALA B 14 -2.543 -1.862 -14.502 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.081 -0.643 -14.874 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.352 -1.167 -12.492 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.656 -2.538 -13.388 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.611 -1.518 -12.372 1.00 25.00 H new ATOM 528 N LEU B 15 -2.839 1.139 -13.254 1.00 25.00 N ATOM 529 CA LEU B 15 -2.514 2.496 -12.811 1.00 25.00 C ATOM 530 C LEU B 15 -2.531 3.455 -14.010 1.00 25.00 C ATOM 531 O LEU B 15 -2.997 4.589 -13.914 1.00 25.00 O ATOM 532 CB LEU B 15 -1.138 2.517 -12.134 1.00 25.00 C ATOM 533 CG LEU B 15 -1.090 3.130 -10.720 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.330 3.038 -10.192 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.543 4.583 -10.687 1.00 25.00 C ATOM 0 H LEU B 15 -2.083 0.466 -13.125 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.262 2.821 -12.088 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.767 1.494 -12.078 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.449 3.071 -12.772 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.782 2.564 -10.096 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.375 3.469 -9.192 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.636 1.993 -10.151 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.001 3.586 -10.854 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.487 4.958 -9.665 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.896 5.181 -11.329 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.571 4.652 -11.043 1.00 25.00 H new ATOM 547 N TYR B 16 -2.089 2.976 -15.161 1.00 25.00 N ATOM 548 CA TYR B 16 -2.158 3.765 -16.379 1.00 25.00 C ATOM 549 C TYR B 16 -3.610 4.013 -16.786 1.00 25.00 C ATOM 550 O TYR B 16 -3.968 5.123 -17.150 1.00 25.00 O ATOM 551 CB TYR B 16 -1.428 3.057 -17.520 1.00 25.00 C ATOM 552 CG TYR B 16 -1.826 3.582 -18.882 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.289 4.789 -19.378 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.761 2.887 -19.676 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.686 5.296 -20.651 1.00 25.00 C ATOM 556 CE2 TYR B 16 -3.157 3.386 -20.941 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.614 4.579 -21.418 1.00 25.00 C ATOM 558 OH TYR B 16 -3.014 5.049 -22.640 1.00 25.00 O ATOM 0 H TYR B 16 -1.680 2.049 -15.277 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.676 4.722 -16.181 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.353 3.178 -17.388 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.637 1.988 -17.472 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.569 5.335 -18.787 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.182 1.960 -19.314 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -1.275 6.224 -21.020 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.878 2.844 -21.535 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.660 4.426 -23.035 1.00 25.00 H new ATOM 568 N LEU B 17 -4.457 3.001 -16.711 1.00 25.00 N ATOM 569 CA LEU B 17 -5.835 3.154 -17.157 1.00 25.00 C ATOM 570 C LEU B 17 -6.582 4.146 -16.280 1.00 25.00 C ATOM 571 O LEU B 17 -7.325 4.985 -16.779 1.00 25.00 O ATOM 572 CB LEU B 17 -6.545 1.797 -17.170 1.00 25.00 C ATOM 573 CG LEU B 17 -6.092 0.841 -18.294 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.535 -0.595 -18.004 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.628 1.289 -19.648 1.00 25.00 C ATOM 0 H LEU B 17 -4.222 2.076 -16.351 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.825 3.547 -18.173 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.383 1.308 -16.209 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.618 1.965 -17.265 1.00 25.00 H new ATOM 0 HG LEU B 17 -5.003 0.870 -18.328 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.203 -1.248 -18.811 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.096 -0.928 -17.064 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.622 -0.633 -17.930 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.292 0.596 -20.420 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.718 1.302 -19.622 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.258 2.289 -19.873 1.00 25.00 H new ATOM 587 N VAL B 18 -6.364 4.070 -14.973 1.00 25.00 N ATOM 588 CA VAL B 18 -7.050 4.965 -14.051 1.00 25.00 C ATOM 589 C VAL B 18 -6.449 6.373 -14.015 1.00 25.00 C ATOM 590 O VAL B 18 -7.180 7.354 -13.868 1.00 25.00 O ATOM 591 CB VAL B 18 -7.153 4.352 -12.611 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.803 4.143 -11.974 1.00 25.00 C ATOM 593 CG2 VAL B 18 -8.011 5.225 -11.705 1.00 25.00 C ATOM 0 H VAL B 18 -5.726 3.407 -14.532 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.061 5.074 -14.442 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.624 3.376 -12.729 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.932 3.717 -10.979 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.213 3.461 -12.587 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.286 5.099 -11.895 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -8.066 4.777 -10.713 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.568 6.218 -11.631 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -9.015 5.306 -12.122 1.00 25.00 H new ATOM 603 N CYS B 19 -5.131 6.484 -14.124 1.00 25.00 N ATOM 604 CA CYS B 19 -4.468 7.778 -13.945 1.00 25.00 C ATOM 605 C CYS B 19 -3.635 8.237 -15.129 1.00 25.00 C ATOM 606 O CYS B 19 -3.660 9.404 -15.485 1.00 25.00 O ATOM 607 CB CYS B 19 -3.568 7.717 -12.717 1.00 25.00 C ATOM 608 SG CYS B 19 -3.023 9.366 -12.183 1.00 25.00 S ATOM 0 H CYS B 19 -4.503 5.707 -14.333 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.272 8.505 -13.833 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.102 7.231 -11.901 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.696 7.102 -12.938 1.00 25.00 H new ATOM 613 N GLY B 20 -2.908 7.332 -15.754 1.00 25.00 N ATOM 614 CA GLY B 20 -2.079 7.710 -16.893 1.00 25.00 C ATOM 615 C GLY B 20 -2.896 8.297 -18.029 1.00 25.00 C ATOM 616 O GLY B 20 -2.465 9.249 -18.669 1.00 25.00 O ATOM 0 H GLY B 20 -2.870 6.344 -15.502 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.333 8.437 -16.571 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.538 6.835 -17.252 1.00 25.00 H new ATOM 620 N GLU B 21 -4.105 7.791 -18.221 1.00 25.00 N ATOM 621 CA GLU B 21 -5.023 8.315 -19.236 1.00 25.00 C ATOM 622 C GLU B 21 -5.611 9.677 -18.855 1.00 25.00 C ATOM 623 O GLU B 21 -6.310 10.297 -19.649 1.00 25.00 O ATOM 624 CB GLU B 21 -6.168 7.323 -19.471 1.00 25.00 C ATOM 625 CG GLU B 21 -5.692 5.985 -20.034 1.00 25.00 C ATOM 626 CD GLU B 21 -6.828 5.097 -20.445 1.00 25.00 C ATOM 627 OE1 GLU B 21 -6.938 4.633 -21.542 1.00 25.00 O ATOM 628 OE2 GLU B 21 -7.677 4.858 -19.500 1.00 25.00 O ATOM 0 H GLU B 21 -4.481 7.010 -17.684 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.440 8.448 -20.147 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.690 7.150 -18.530 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.889 7.765 -20.159 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.047 6.165 -20.894 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.088 5.473 -19.284 1.00 25.00 H new ATOM 636 N ARG B 22 -5.342 10.143 -17.640 1.00 25.00 N ATOM 637 CA ARG B 22 -5.813 11.455 -17.176 1.00 25.00 C ATOM 638 C ARG B 22 -4.673 12.459 -17.091 1.00 25.00 C ATOM 639 O ARG B 22 -4.903 13.657 -17.208 1.00 25.00 O ATOM 640 CB ARG B 22 -6.477 11.341 -15.797 1.00 25.00 C ATOM 641 CG ARG B 22 -8.000 11.285 -15.852 1.00 25.00 C ATOM 642 CD ARG B 22 -8.537 9.862 -15.822 1.00 25.00 C ATOM 643 NE ARG B 22 -9.302 9.627 -14.580 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.003 8.533 -14.310 1.00 25.00 C ATOM 645 NH1 ARG B 22 -10.085 7.529 -15.147 1.00 25.00 N ATOM 646 NH2 ARG B 22 -10.632 8.452 -13.171 1.00 25.00 N ATOM 0 H ARG B 22 -4.795 9.630 -16.948 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.542 11.807 -17.906 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.107 10.445 -15.299 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.175 12.192 -15.187 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.411 11.842 -15.010 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.345 11.780 -16.760 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -9.175 9.689 -16.688 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.711 9.153 -15.888 1.00 25.00 H new ATOM 0 HE ARG B 22 -9.290 10.364 -13.875 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.600 7.571 -16.043 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.634 6.705 -14.903 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -10.581 9.222 -12.504 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -11.176 7.619 -12.947 1.00 25.00 H new ATOM 660 N GLY B 23 -3.456 11.976 -16.871 1.00 25.00 N ATOM 661 CA GLY B 23 -2.307 12.840 -16.722 1.00 25.00 C ATOM 662 C GLY B 23 -1.659 12.590 -15.378 1.00 25.00 C ATOM 663 O GLY B 23 -2.327 12.388 -14.372 1.00 25.00 O ATOM 0 H GLY B 23 -3.246 10.981 -16.792 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.592 12.653 -17.523 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.611 13.884 -16.803 1.00 25.00 H new ATOM 667 N GLY B 24 -0.338 12.607 -15.389 1.00 25.00 N ATOM 668 CA GLY B 24 0.438 12.446 -14.157 1.00 25.00 C ATOM 669 C GLY B 24 1.128 11.102 -13.998 1.00 25.00 C ATOM 670 O GLY B 24 1.455 10.709 -12.888 1.00 25.00 O ATOM 0 H GLY B 24 0.225 12.730 -16.231 1.00 25.00 H new ATOM 0 HA2 GLY B 24 1.193 13.231 -14.117 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -0.226 12.599 -13.306 1.00 25.00 H new ATOM 674 N PHE B 25 1.355 10.397 -15.097 1.00 25.00 N ATOM 675 CA PHE B 25 2.026 9.101 -15.021 1.00 25.00 C ATOM 676 C PHE B 25 3.550 9.252 -14.888 1.00 25.00 C ATOM 677 O PHE B 25 4.109 10.242 -15.336 1.00 25.00 O ATOM 678 CB PHE B 25 1.706 8.276 -16.262 1.00 25.00 C ATOM 679 CG PHE B 25 1.715 6.801 -16.005 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.867 6.254 -15.027 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.566 5.949 -16.722 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.865 4.877 -14.762 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.571 4.554 -16.474 1.00 25.00 C ATOM 684 CZ PHE B 25 1.716 4.020 -15.481 1.00 25.00 C ATOM 0 H PHE B 25 1.091 10.691 -16.037 1.00 25.00 H new ATOM 0 HA PHE B 25 1.657 8.594 -14.129 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.726 8.567 -16.642 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.432 8.507 -17.042 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.207 6.904 -14.471 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.225 6.360 -17.472 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.209 4.474 -14.005 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.222 3.903 -17.039 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.717 2.960 -15.277 1.00 25.00 H new ATOM 694 N TYR B 26 4.196 8.272 -14.265 1.00 25.00 N ATOM 695 CA TYR B 26 5.640 8.332 -13.988 1.00 25.00 C ATOM 696 C TYR B 26 6.466 7.333 -14.811 1.00 25.00 C ATOM 697 O TYR B 26 7.683 7.303 -14.704 1.00 25.00 O ATOM 698 CB TYR B 26 5.870 8.073 -12.494 1.00 25.00 C ATOM 699 CG TYR B 26 5.296 6.745 -12.034 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.014 5.546 -12.220 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.020 6.680 -11.425 1.00 25.00 C ATOM 702 CE1 TYR B 26 5.469 4.301 -11.812 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.475 5.433 -11.022 1.00 25.00 C ATOM 704 CZ TYR B 26 4.209 4.256 -11.217 1.00 25.00 C ATOM 705 OH TYR B 26 3.703 3.044 -10.823 1.00 25.00 O ATOM 0 H TYR B 26 3.745 7.418 -13.937 1.00 25.00 H new ATOM 0 HA TYR B 26 5.979 9.327 -14.277 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.940 8.093 -12.287 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.418 8.879 -11.916 1.00 25.00 H new ATOM 0 HD1 TYR B 26 6.991 5.575 -12.679 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.456 7.587 -11.266 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.029 3.390 -11.962 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.497 5.392 -10.566 1.00 25.00 H new ATOM 0 HH TYR B 26 3.114 3.171 -10.050 1.00 25.00 H new HETATM 715 N NVA B 27 5.769 6.516 -15.625 1.00 25.00 N HETATM 716 CA NVA B 27 6.323 5.507 -16.604 1.00 25.00 C HETATM 717 CB NVA B 27 6.592 6.162 -18.005 1.00 25.00 C HETATM 718 CG NVA B 27 6.267 5.167 -19.171 1.00 25.00 C HETATM 719 CD NVA B 27 7.170 5.365 -20.431 1.00 25.00 C HETATM 720 C NVA B 27 7.566 4.646 -16.114 1.00 25.00 C HETATM 721 O NVA B 27 8.718 4.988 -16.360 1.00 25.00 O HETATM 0 HG3 NVA B 27 6.382 4.145 -18.809 1.00 25.00 H new HETATM 0 HG2 NVA B 27 5.223 5.287 -19.460 1.00 25.00 H new HETATM 0 HD3 NVA B 27 7.037 6.375 -20.819 1.00 25.00 H new HETATM 0 HD1 NVA B 27 6.889 4.643 -21.197 1.00 25.00 H new HETATM 0 HB3 NVA B 27 5.985 7.061 -18.111 1.00 25.00 H new HETATM 0 HB2 NVA B 27 7.635 6.473 -18.069 1.00 25.00 H new HETATM 0 HA NVA B 27 5.526 4.769 -16.691 1.00 25.00 H new ATOM 730 N PRO B 28 7.347 3.452 -15.428 1.00 25.00 N ATOM 731 CA PRO B 28 8.452 2.569 -15.013 1.00 25.00 C ATOM 732 C PRO B 28 8.962 1.682 -16.165 1.00 25.00 C ATOM 733 O PRO B 28 8.549 0.533 -16.322 1.00 25.00 O ATOM 734 CB PRO B 28 7.817 1.748 -13.895 1.00 25.00 C ATOM 735 CG PRO B 28 6.372 1.610 -14.324 1.00 25.00 C ATOM 736 CD PRO B 28 6.030 2.908 -15.026 1.00 25.00 C ATOM 0 HA PRO B 28 9.340 3.117 -14.698 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.298 0.775 -13.790 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.902 2.251 -12.932 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.241 0.758 -14.990 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.722 1.446 -13.465 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.387 2.738 -15.890 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.500 3.593 -14.364 1.00 25.00 H new HETATM 744 N HIX B 29 9.864 2.252 -16.988 1.00 25.00 N HETATM 745 CA HIX B 29 10.460 1.613 -18.197 1.00 25.00 C HETATM 746 C HIX B 29 11.364 0.422 -17.840 1.00 25.00 C HETATM 747 O HIX B 29 12.407 0.542 -17.224 1.00 25.00 O HETATM 748 CB HIX B 29 11.200 2.658 -19.080 1.00 25.00 C HETATM 749 CG HIX B 29 10.190 3.465 -19.860 1.00 25.00 C HETATM 750 CD2 HIX B 29 9.046 4.033 -19.349 1.00 25.00 C HETATM 751 ND1 HIX B 29 10.186 3.782 -21.197 1.00 25.00 N HETATM 752 NE1 HIX B 29 9.082 4.537 -21.629 1.00 25.00 N HETATM 753 NE2 HIX B 29 8.447 4.642 -20.389 1.00 25.00 N ATOM 760 N THR B 30 10.903 -0.784 -18.249 1.00 25.00 N ATOM 761 CA THR B 30 11.575 -2.096 -18.015 1.00 25.00 C ATOM 762 C THR B 30 10.949 -3.213 -18.844 1.00 25.00 C ATOM 763 O THR B 30 9.765 -3.319 -19.095 1.00 25.00 O ATOM 764 CB THR B 30 11.581 -2.465 -16.505 1.00 25.00 C ATOM 765 OG1 THR B 30 12.320 -3.671 -16.306 1.00 25.00 O ATOM 766 CG2 THR B 30 10.169 -2.668 -15.916 1.00 25.00 C ATOM 767 OXT THR B 30 11.809 -4.046 -19.328 1.00 25.00 O ATOM 0 H THR B 30 10.029 -0.880 -18.766 1.00 25.00 H new ATOM 0 HA THR B 30 12.609 -1.987 -18.342 1.00 25.00 H new ATOM 0 HB THR B 30 12.040 -1.621 -15.990 1.00 25.00 H new ATOM 0 HG1 THR B 30 12.323 -3.899 -15.353 1.00 25.00 H new ATOM 0 HG21 THR B 30 10.249 -2.923 -14.859 1.00 25.00 H new ATOM 0 HG22 THR B 30 9.594 -1.749 -16.025 1.00 25.00 H new ATOM 0 HG23 THR B 30 9.666 -3.476 -16.447 1.00 25.00 H new TER 776 THR B 30