USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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: A 12 SER OG : rot 180:sc= 0.355 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.385 X(o=0.74,f=0.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0586 K(o=-0.059,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -57:sc= 1.27 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.005 X(o=0.005,f=-0.091) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.605 K(o=0.61,f=-4.9!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.247 K(o=0.25,f=-3.5!) USER MOD Single : B 4 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.239 K(o=0.24,f=-1.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -36:sc= 1.22 USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.095 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.380 -0.397 -1.080 1.00 25.00 N ATOM 2 CA GLY A 1 1.063 0.651 -1.893 1.00 25.00 C ATOM 3 C GLY A 1 0.429 0.899 -3.245 1.00 25.00 C ATOM 4 O GLY A 1 -0.771 0.953 -3.408 1.00 25.00 O ATOM 0 H1 GLY A 1 0.873 -0.507 -0.171 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.606 -0.115 -0.907 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.396 -1.301 -1.594 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.069 1.585 -1.330 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.103 0.360 -2.040 1.00 25.00 H new ATOM 9 N ILE A 2 1.254 0.979 -4.293 1.00 25.00 N ATOM 10 CA ILE A 2 0.727 1.202 -5.644 1.00 25.00 C ATOM 11 C ILE A 2 -0.036 -0.045 -6.126 1.00 25.00 C ATOM 12 O ILE A 2 -0.942 0.053 -6.956 1.00 25.00 O ATOM 13 CB ILE A 2 1.870 1.624 -6.629 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.298 2.445 -7.799 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.656 0.400 -7.147 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.925 3.878 -7.428 1.00 25.00 C ATOM 0 H ILE A 2 2.269 0.895 -4.237 1.00 25.00 H new ATOM 0 HA ILE A 2 0.018 2.030 -5.619 1.00 25.00 H new ATOM 0 HB ILE A 2 2.571 2.250 -6.076 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.031 2.468 -8.605 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.414 1.939 -8.186 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.440 0.732 -7.827 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.105 -0.127 -6.305 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.978 -0.271 -7.675 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.530 4.390 -8.305 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.168 3.866 -6.644 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.810 4.403 -7.069 1.00 25.00 H new ATOM 28 N VAL A 3 0.262 -1.189 -5.535 1.00 25.00 N ATOM 29 CA VAL A 3 -0.443 -2.431 -5.844 1.00 25.00 C ATOM 30 C VAL A 3 -1.887 -2.299 -5.374 1.00 25.00 C ATOM 31 O VAL A 3 -2.832 -2.622 -6.101 1.00 25.00 O ATOM 32 CB VAL A 3 0.236 -3.647 -5.125 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.567 -4.945 -5.336 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.668 -3.813 -5.652 1.00 25.00 C ATOM 0 H VAL A 3 0.994 -1.288 -4.831 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.408 -2.608 -6.919 1.00 25.00 H new ATOM 0 HB VAL A 3 0.260 -3.448 -4.054 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.069 -5.768 -4.824 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.572 -4.821 -4.931 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.630 -5.165 -6.402 1.00 25.00 H new ATOM 0 HG21 VAL A 3 2.143 -4.658 -5.154 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.642 -3.993 -6.727 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.237 -2.906 -5.450 1.00 25.00 H new ATOM 44 N GLU A 4 -2.054 -1.775 -4.173 1.00 25.00 N ATOM 45 CA GLU A 4 -3.370 -1.562 -3.614 1.00 25.00 C ATOM 46 C GLU A 4 -4.148 -0.600 -4.509 1.00 25.00 C ATOM 47 O GLU A 4 -5.317 -0.821 -4.787 1.00 25.00 O ATOM 48 CB GLU A 4 -3.248 -1.001 -2.195 1.00 25.00 C ATOM 49 CG GLU A 4 -4.561 -0.996 -1.436 1.00 25.00 C ATOM 50 CD GLU A 4 -4.428 -0.382 -0.065 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.379 -0.082 0.446 1.00 25.00 O ATOM 52 OE2 GLU A 4 -5.556 -0.161 0.502 1.00 25.00 O ATOM 0 H GLU A 4 -1.287 -1.489 -3.565 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.906 -2.510 -3.563 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.518 -1.591 -1.640 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.862 0.017 -2.246 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.307 -0.444 -2.008 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.926 -2.018 -1.340 1.00 25.00 H new ATOM 60 N GLN A 5 -3.479 0.433 -5.010 1.00 25.00 N ATOM 61 CA GLN A 5 -4.137 1.387 -5.907 1.00 25.00 C ATOM 62 C GLN A 5 -4.573 0.717 -7.213 1.00 25.00 C ATOM 63 O GLN A 5 -5.708 0.876 -7.639 1.00 25.00 O ATOM 64 CB GLN A 5 -3.235 2.587 -6.216 1.00 25.00 C ATOM 65 CG GLN A 5 -2.927 3.443 -4.980 1.00 25.00 C ATOM 66 CD GLN A 5 -2.153 4.696 -5.324 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.164 5.157 -6.441 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.486 5.257 -4.341 1.00 25.00 N ATOM 0 H GLN A 5 -2.498 0.633 -4.817 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.024 1.747 -5.386 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.299 2.229 -6.645 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.715 3.210 -6.971 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.861 3.719 -4.491 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.356 2.851 -4.265 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.500 4.839 -3.411 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.954 6.111 -4.508 1.00 25.00 H new ATOM 77 N CYS A 6 -3.694 -0.051 -7.836 1.00 25.00 N ATOM 78 CA CYS A 6 -4.007 -0.722 -9.105 1.00 25.00 C ATOM 79 C CYS A 6 -5.106 -1.774 -8.923 1.00 25.00 C ATOM 80 O CYS A 6 -5.827 -2.120 -9.871 1.00 25.00 O ATOM 81 CB CYS A 6 -2.755 -1.398 -9.649 1.00 25.00 C ATOM 82 SG CYS A 6 -2.691 -1.570 -11.452 1.00 25.00 S ATOM 0 H CYS A 6 -2.752 -0.231 -7.489 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.363 0.033 -9.806 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.884 -0.829 -9.323 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.674 -2.389 -9.203 1.00 25.00 H new ATOM 87 N CYS A 7 -5.243 -2.271 -7.699 1.00 25.00 N ATOM 88 CA CYS A 7 -6.302 -3.215 -7.374 1.00 25.00 C ATOM 89 C CYS A 7 -7.645 -2.507 -7.146 1.00 25.00 C ATOM 90 O CYS A 7 -8.654 -2.869 -7.747 1.00 25.00 O ATOM 91 CB CYS A 7 -5.902 -4.006 -6.130 1.00 25.00 C ATOM 92 SG CYS A 7 -6.837 -5.552 -5.889 1.00 25.00 S ATOM 0 H CYS A 7 -4.633 -2.035 -6.916 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.433 -3.891 -8.219 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.840 -4.244 -6.191 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.037 -3.373 -5.253 1.00 25.00 H new ATOM 97 N THR A 8 -7.662 -1.502 -6.260 1.00 25.00 N ATOM 98 CA THR A 8 -8.925 -0.826 -5.888 1.00 25.00 C ATOM 99 C THR A 8 -9.424 0.174 -6.937 1.00 25.00 C ATOM 100 O THR A 8 -10.618 0.447 -7.007 1.00 25.00 O ATOM 101 CB THR A 8 -8.801 -0.104 -4.509 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.102 0.225 -4.020 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.979 1.183 -4.595 1.00 25.00 C ATOM 0 H THR A 8 -6.832 -1.139 -5.790 1.00 25.00 H new ATOM 0 HA THR A 8 -9.663 -1.626 -5.824 1.00 25.00 H new ATOM 0 HB THR A 8 -8.290 -0.792 -3.835 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.021 0.677 -3.154 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.923 1.646 -3.610 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.973 0.950 -4.943 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.454 1.872 -5.293 1.00 25.00 H new ATOM 111 N SER A 9 -8.532 0.686 -7.769 1.00 25.00 N ATOM 112 CA SER A 9 -8.886 1.626 -8.832 1.00 25.00 C ATOM 113 C SER A 9 -8.419 0.999 -10.127 1.00 25.00 C ATOM 114 O SER A 9 -7.960 -0.140 -10.112 1.00 25.00 O ATOM 115 CB SER A 9 -8.226 2.984 -8.610 1.00 25.00 C ATOM 116 OG SER A 9 -6.842 2.929 -8.913 1.00 25.00 O ATOM 0 H SER A 9 -7.537 0.464 -7.730 1.00 25.00 H new ATOM 0 HA SER A 9 -9.960 1.809 -8.850 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.710 3.735 -9.235 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.364 3.295 -7.574 1.00 25.00 H new ATOM 0 HG SER A 9 -6.415 2.235 -8.368 1.00 25.00 H new ATOM 122 N ILE A 10 -8.561 1.699 -11.238 1.00 25.00 N ATOM 123 CA ILE A 10 -8.224 1.129 -12.538 1.00 25.00 C ATOM 124 C ILE A 10 -6.933 1.741 -13.072 1.00 25.00 C ATOM 125 O ILE A 10 -6.824 2.959 -13.237 1.00 25.00 O ATOM 126 CB ILE A 10 -9.405 1.322 -13.541 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.599 0.457 -13.073 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.973 0.935 -14.949 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.872 0.588 -13.915 1.00 25.00 C ATOM 0 H ILE A 10 -8.905 2.659 -11.271 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.059 0.058 -12.419 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.705 2.370 -13.564 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.290 -0.588 -13.071 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.836 0.721 -12.042 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.807 1.075 -15.637 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.138 1.563 -15.259 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.665 -0.110 -14.961 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.648 -0.058 -13.504 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -12.215 1.623 -13.898 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.660 0.293 -14.943 1.00 25.00 H new ATOM 141 N CYS A 11 -5.954 0.888 -13.359 1.00 25.00 N ATOM 142 CA CYS A 11 -4.669 1.321 -13.914 1.00 25.00 C ATOM 143 C CYS A 11 -4.767 1.659 -15.400 1.00 25.00 C ATOM 144 O CYS A 11 -5.744 1.309 -16.074 1.00 25.00 O ATOM 145 CB CYS A 11 -3.629 0.223 -13.715 1.00 25.00 C ATOM 146 SG CYS A 11 -2.735 0.339 -12.137 1.00 25.00 S ATOM 0 H CYS A 11 -6.025 -0.119 -13.215 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.373 2.227 -13.385 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.123 -0.747 -13.772 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.910 0.263 -14.533 1.00 25.00 H new ATOM 151 N SER A 12 -3.729 2.293 -15.920 1.00 25.00 N ATOM 152 CA SER A 12 -3.653 2.666 -17.331 1.00 25.00 C ATOM 153 C SER A 12 -2.288 2.279 -17.869 1.00 25.00 C ATOM 154 O SER A 12 -1.369 2.081 -17.090 1.00 25.00 O ATOM 155 CB SER A 12 -3.853 4.179 -17.495 1.00 25.00 C ATOM 156 OG SER A 12 -4.625 4.691 -16.430 1.00 25.00 O ATOM 0 H SER A 12 -2.910 2.566 -15.377 1.00 25.00 H new ATOM 0 HA SER A 12 -4.437 2.146 -17.882 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.885 4.679 -17.524 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.348 4.386 -18.444 1.00 25.00 H new ATOM 0 HG SER A 12 -4.743 5.657 -16.546 1.00 25.00 H new ATOM 162 N LEU A 13 -2.149 2.215 -19.185 1.00 25.00 N ATOM 163 CA LEU A 13 -0.885 1.828 -19.831 1.00 25.00 C ATOM 164 C LEU A 13 0.320 2.597 -19.323 1.00 25.00 C ATOM 165 O LEU A 13 1.370 2.037 -19.046 1.00 25.00 O ATOM 166 CB LEU A 13 -0.989 2.082 -21.344 1.00 25.00 C ATOM 167 CG LEU A 13 -1.727 1.037 -22.164 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.145 1.633 -23.513 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.827 -0.169 -22.382 1.00 25.00 C ATOM 0 H LEU A 13 -2.901 2.427 -19.841 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.736 0.775 -19.594 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.482 3.042 -21.494 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.021 2.176 -21.743 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.621 0.722 -21.626 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.674 0.879 -24.096 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.801 2.488 -23.346 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.258 1.957 -24.058 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.358 -0.918 -22.970 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.073 0.140 -22.914 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.550 -0.595 -21.418 1.00 25.00 H new ATOM 181 N TYR A 14 0.147 3.894 -19.195 1.00 25.00 N ATOM 182 CA TYR A 14 1.230 4.783 -18.790 1.00 25.00 C ATOM 183 C TYR A 14 1.635 4.522 -17.339 1.00 25.00 C ATOM 184 O TYR A 14 2.807 4.462 -17.007 1.00 25.00 O ATOM 185 CB TYR A 14 0.776 6.234 -18.965 1.00 25.00 C ATOM 186 CG TYR A 14 -0.398 6.321 -19.901 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.215 6.163 -21.290 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.708 6.512 -19.407 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.315 6.181 -22.173 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.810 6.527 -20.286 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.601 6.356 -21.663 1.00 25.00 C ATOM 192 OH TYR A 14 -3.660 6.338 -22.527 1.00 25.00 O ATOM 0 H TYR A 14 -0.741 4.367 -19.366 1.00 25.00 H new ATOM 0 HA TYR A 14 2.101 4.594 -19.417 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.505 6.654 -17.996 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.600 6.833 -19.353 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.781 6.026 -21.684 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.866 6.648 -18.347 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.162 6.060 -23.235 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.809 6.669 -19.902 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.492 6.471 -22.027 1.00 25.00 H new ATOM 202 N GLN A 15 0.651 4.339 -16.479 1.00 25.00 N ATOM 203 CA GLN A 15 0.934 4.084 -15.068 1.00 25.00 C ATOM 204 C GLN A 15 1.695 2.767 -14.961 1.00 25.00 C ATOM 205 O GLN A 15 2.654 2.656 -14.226 1.00 25.00 O ATOM 206 CB GLN A 15 -0.359 3.985 -14.246 1.00 25.00 C ATOM 207 CG GLN A 15 -1.242 5.222 -14.331 1.00 25.00 C ATOM 208 CD GLN A 15 -2.299 5.232 -13.246 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.977 5.244 -12.079 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.556 5.207 -13.623 1.00 25.00 N ATOM 0 H GLN A 15 -0.340 4.360 -16.721 1.00 25.00 H new ATOM 0 HA GLN A 15 1.523 4.912 -14.673 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.929 3.120 -14.586 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.101 3.806 -13.202 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.625 6.116 -14.246 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.723 5.259 -15.308 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.791 5.198 -14.616 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.298 5.197 -12.923 1.00 25.00 H new ATOM 219 N LEU A 16 1.265 1.779 -15.725 1.00 25.00 N ATOM 220 CA LEU A 16 1.890 0.472 -15.680 1.00 25.00 C ATOM 221 C LEU A 16 3.329 0.518 -16.175 1.00 25.00 C ATOM 222 O LEU A 16 4.217 -0.003 -15.516 1.00 25.00 O ATOM 223 CB LEU A 16 1.079 -0.523 -16.507 1.00 25.00 C ATOM 224 CG LEU A 16 -0.294 -0.878 -15.941 1.00 25.00 C ATOM 225 CD1 LEU A 16 -1.063 -1.648 -17.005 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.212 -1.683 -14.657 1.00 25.00 C ATOM 0 H LEU A 16 0.488 1.857 -16.381 1.00 25.00 H new ATOM 0 HA LEU A 16 1.910 0.147 -14.640 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.946 -0.114 -17.509 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.658 -1.440 -16.612 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.810 0.047 -15.683 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.049 -1.912 -16.622 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.174 -1.028 -17.894 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.518 -2.556 -17.262 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.218 -1.906 -14.302 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.321 -2.615 -14.845 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.321 -1.107 -13.900 1.00 25.00 H new ATOM 238 N GLU A 17 3.585 1.153 -17.310 1.00 25.00 N ATOM 239 CA GLU A 17 4.947 1.178 -17.835 1.00 25.00 C ATOM 240 C GLU A 17 5.871 2.019 -16.949 1.00 25.00 C ATOM 241 O GLU A 17 7.054 1.746 -16.873 1.00 25.00 O ATOM 242 CB GLU A 17 4.978 1.607 -19.308 1.00 25.00 C ATOM 243 CG GLU A 17 4.625 3.047 -19.601 1.00 25.00 C ATOM 244 CD GLU A 17 5.825 3.872 -19.953 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.210 4.794 -19.298 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.406 3.516 -21.050 1.00 25.00 O ATOM 0 H GLU A 17 2.891 1.645 -17.873 1.00 25.00 H new ATOM 0 HA GLU A 17 5.335 0.160 -17.808 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.978 1.415 -19.698 1.00 25.00 H new ATOM 0 HB3 GLU A 17 4.291 0.968 -19.863 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.910 3.082 -20.423 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.132 3.481 -18.731 1.00 25.00 H new ATOM 254 N ASN A 18 5.312 2.976 -16.216 1.00 25.00 N ATOM 255 CA ASN A 18 6.080 3.720 -15.209 1.00 25.00 C ATOM 256 C ASN A 18 6.580 2.833 -14.041 1.00 25.00 C ATOM 257 O ASN A 18 7.455 3.246 -13.291 1.00 25.00 O ATOM 258 CB ASN A 18 5.252 4.879 -14.647 1.00 25.00 C ATOM 259 CG ASN A 18 5.446 6.165 -15.420 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.554 6.629 -15.595 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.369 6.744 -15.867 1.00 25.00 N ATOM 0 H ASN A 18 4.335 3.258 -16.295 1.00 25.00 H new ATOM 0 HA ASN A 18 6.960 4.103 -15.726 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.197 4.607 -14.662 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.524 5.042 -13.604 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.438 7.620 -16.385 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.456 6.322 -15.699 1.00 25.00 H new ATOM 268 N TYR A 19 6.032 1.634 -13.865 1.00 25.00 N ATOM 269 CA TYR A 19 6.469 0.737 -12.764 1.00 25.00 C ATOM 270 C TYR A 19 7.652 -0.134 -13.184 1.00 25.00 C ATOM 271 O TYR A 19 8.155 -0.942 -12.402 1.00 25.00 O ATOM 272 CB TYR A 19 5.340 -0.190 -12.312 1.00 25.00 C ATOM 273 CG TYR A 19 4.025 0.491 -11.951 1.00 25.00 C ATOM 274 CD1 TYR A 19 3.976 1.850 -11.546 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.821 -0.231 -12.011 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.729 2.465 -11.235 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.584 0.383 -11.694 1.00 25.00 C ATOM 278 CZ TYR A 19 1.550 1.724 -11.324 1.00 25.00 C ATOM 279 OH TYR A 19 0.337 2.307 -11.045 1.00 25.00 O ATOM 0 H TYR A 19 5.293 1.251 -14.455 1.00 25.00 H new ATOM 0 HA TYR A 19 6.763 1.390 -11.942 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.148 -0.911 -13.107 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.684 -0.755 -11.446 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.889 2.422 -11.473 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.839 -1.271 -12.303 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.696 3.501 -10.931 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.669 -0.189 -11.739 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.377 1.646 -11.158 1.00 25.00 H new ATOM 289 N CYS A 20 8.055 -0.010 -14.440 1.00 25.00 N ATOM 290 CA CYS A 20 9.135 -0.821 -14.991 1.00 25.00 C ATOM 291 C CYS A 20 10.467 -0.092 -14.920 1.00 25.00 C ATOM 292 O CYS A 20 10.543 1.098 -14.674 1.00 25.00 O ATOM 293 CB CYS A 20 8.834 -1.148 -16.449 1.00 25.00 C ATOM 294 SG CYS A 20 7.293 -2.078 -16.657 1.00 25.00 S ATOM 0 H CYS A 20 7.648 0.650 -15.103 1.00 25.00 H new ATOM 0 HA CYS A 20 9.204 -1.734 -14.399 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.773 -0.221 -17.019 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.660 -1.725 -16.865 1.00 25.00 H new ATOM 299 N ASN A 21 11.538 -0.835 -15.227 1.00 25.00 N ATOM 300 CA ASN A 21 12.877 -0.243 -15.308 1.00 25.00 C ATOM 301 C ASN A 21 12.955 0.857 -16.365 1.00 25.00 C ATOM 302 O ASN A 21 12.697 0.711 -17.540 1.00 25.00 O ATOM 303 CB ASN A 21 13.944 -1.318 -15.525 1.00 25.00 C ATOM 304 CG ASN A 21 15.317 -0.721 -15.534 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.859 -0.314 -16.535 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.915 -0.677 -14.347 1.00 25.00 N ATOM 307 OXT ASN A 21 13.324 2.000 -15.877 1.00 25.00 O ATOM 0 H ASN A 21 11.504 -1.836 -15.421 1.00 25.00 H new ATOM 0 HA ASN A 21 13.080 0.233 -14.349 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.875 -2.067 -14.736 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.761 -1.831 -16.469 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.856 -0.292 -14.264 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.433 -1.028 -13.520 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.527 -3.075 -25.746 1.00 25.00 N ATOM 317 CA PHE B 1 -5.529 -2.949 -24.262 1.00 25.00 C ATOM 318 C PHE B 1 -6.882 -2.583 -23.666 1.00 25.00 C ATOM 319 O PHE B 1 -7.629 -1.786 -24.193 1.00 25.00 O ATOM 320 CB PHE B 1 -4.475 -1.911 -23.873 1.00 25.00 C ATOM 321 CG PHE B 1 -4.220 -1.759 -22.382 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.986 -0.883 -21.612 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.194 -2.496 -21.781 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.721 -0.734 -20.252 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.920 -2.342 -20.416 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.689 -1.457 -19.651 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.572 -3.325 -26.072 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.196 -3.818 -26.032 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.812 -2.170 -26.172 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.296 -3.931 -23.849 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.535 -2.174 -24.359 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.780 -0.943 -24.272 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.785 -0.320 -22.071 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.611 -3.187 -22.372 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -5.317 -0.056 -19.660 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.120 -2.903 -19.956 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.484 -1.334 -18.598 1.00 25.00 H new ATOM 337 N VAL B 2 -7.205 -3.189 -22.514 1.00 25.00 N ATOM 338 CA VAL B 2 -8.457 -2.912 -21.806 1.00 25.00 C ATOM 339 C VAL B 2 -8.088 -2.383 -20.424 1.00 25.00 C ATOM 340 O VAL B 2 -7.247 -2.947 -19.726 1.00 25.00 O ATOM 341 CB VAL B 2 -9.400 -4.190 -21.748 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.676 -5.414 -21.130 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.693 -3.891 -20.982 1.00 25.00 C ATOM 0 H VAL B 2 -6.610 -3.878 -22.053 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.041 -2.162 -22.339 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.658 -4.441 -22.777 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.355 -6.266 -21.109 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.802 -5.662 -21.732 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.361 -5.176 -20.114 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.317 -4.784 -20.959 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.451 -3.592 -19.962 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -11.232 -3.084 -21.479 1.00 25.00 H new ATOM 353 N ASN B 3 -8.670 -1.251 -20.068 1.00 25.00 N ATOM 354 CA ASN B 3 -8.425 -0.647 -18.771 1.00 25.00 C ATOM 355 C ASN B 3 -9.240 -1.415 -17.750 1.00 25.00 C ATOM 356 O ASN B 3 -10.451 -1.566 -17.892 1.00 25.00 O ATOM 357 CB ASN B 3 -8.794 0.844 -18.791 1.00 25.00 C ATOM 358 CG ASN B 3 -10.249 1.093 -19.163 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.703 0.724 -20.234 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.967 1.745 -18.291 1.00 25.00 N ATOM 0 H ASN B 3 -9.317 -0.731 -20.661 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.368 -0.700 -18.511 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.597 1.274 -17.809 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.150 1.362 -19.501 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.943 1.962 -18.494 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.553 2.037 -17.406 1.00 25.00 H new ATOM 367 N GLN B 4 -8.569 -1.963 -16.749 1.00 25.00 N ATOM 368 CA GLN B 4 -9.230 -2.811 -15.769 1.00 25.00 C ATOM 369 C GLN B 4 -8.513 -2.783 -14.420 1.00 25.00 C ATOM 370 O GLN B 4 -7.390 -2.297 -14.313 1.00 25.00 O ATOM 371 CB GLN B 4 -9.286 -4.258 -16.288 1.00 25.00 C ATOM 372 CG GLN B 4 -7.894 -4.892 -16.517 1.00 25.00 C ATOM 373 CD GLN B 4 -7.953 -6.396 -16.660 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.710 -6.937 -17.724 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.260 -7.075 -15.585 1.00 25.00 N ATOM 0 H GLN B 4 -7.569 -1.836 -16.594 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.239 -2.425 -15.623 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.841 -4.869 -15.576 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.842 -4.277 -17.225 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.447 -4.463 -17.414 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.241 -4.636 -15.682 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.457 -6.586 -14.712 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.302 -8.094 -15.620 1.00 25.00 H new ATOM 384 N HIS B 5 -9.163 -3.333 -13.403 1.00 25.00 N ATOM 385 CA HIS B 5 -8.524 -3.519 -12.098 1.00 25.00 C ATOM 386 C HIS B 5 -7.502 -4.637 -12.260 1.00 25.00 C ATOM 387 O HIS B 5 -7.769 -5.599 -12.990 1.00 25.00 O ATOM 388 CB HIS B 5 -9.557 -3.951 -11.053 1.00 25.00 C ATOM 389 CG HIS B 5 -10.579 -2.904 -10.741 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.316 -1.803 -9.932 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.887 -2.763 -11.092 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.414 -1.071 -9.826 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.373 -1.626 -10.515 1.00 25.00 N ATOM 0 H HIS B 5 -10.128 -3.658 -13.451 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.063 -2.588 -11.768 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.066 -4.847 -11.409 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.038 -4.223 -10.134 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.420 -1.593 -9.491 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.447 -3.438 -11.722 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.502 -0.157 -9.258 1.00 25.00 H new ATOM 402 N LEU B 6 -6.360 -4.532 -11.601 1.00 25.00 N ATOM 403 CA LEU B 6 -5.323 -5.565 -11.698 1.00 25.00 C ATOM 404 C LEU B 6 -4.822 -5.882 -10.300 1.00 25.00 C ATOM 405 O LEU B 6 -4.452 -4.990 -9.560 1.00 25.00 O ATOM 406 CB LEU B 6 -4.148 -5.055 -12.527 1.00 25.00 C ATOM 407 CG LEU B 6 -4.437 -4.727 -13.999 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.286 -3.942 -14.568 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.650 -6.008 -14.810 1.00 25.00 C ATOM 0 H LEU B 6 -6.121 -3.748 -10.994 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.743 -6.452 -12.172 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.757 -4.157 -12.048 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.357 -5.804 -12.494 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.350 -4.134 -14.056 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.487 -3.707 -15.613 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.163 -3.017 -14.005 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.373 -4.533 -14.498 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.853 -5.751 -15.850 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.753 -6.625 -14.757 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.496 -6.561 -14.401 1.00 25.00 H new ATOM 421 N CYS B 7 -4.824 -7.154 -9.934 1.00 25.00 N ATOM 422 CA CYS B 7 -4.402 -7.573 -8.595 1.00 25.00 C ATOM 423 C CYS B 7 -3.701 -8.924 -8.701 1.00 25.00 C ATOM 424 O CYS B 7 -4.045 -9.731 -9.572 1.00 25.00 O ATOM 425 CB CYS B 7 -5.631 -7.677 -7.696 1.00 25.00 C ATOM 426 SG CYS B 7 -5.419 -7.011 -6.017 1.00 25.00 S ATOM 0 H CYS B 7 -5.113 -7.920 -10.542 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.712 -6.846 -8.166 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.458 -7.153 -8.176 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.919 -8.726 -7.620 1.00 25.00 H new ATOM 431 N GLY B 8 -2.710 -9.165 -7.854 1.00 25.00 N ATOM 432 CA GLY B 8 -1.977 -10.418 -7.895 1.00 25.00 C ATOM 433 C GLY B 8 -1.224 -10.599 -9.198 1.00 25.00 C ATOM 434 O GLY B 8 -0.692 -9.644 -9.766 1.00 25.00 O ATOM 0 H GLY B 8 -2.398 -8.512 -7.135 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.274 -10.453 -7.063 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.671 -11.248 -7.760 1.00 25.00 H new ATOM 438 N SER B 9 -1.233 -11.827 -9.708 1.00 25.00 N ATOM 439 CA SER B 9 -0.559 -12.178 -10.964 1.00 25.00 C ATOM 440 C SER B 9 -1.007 -11.309 -12.153 1.00 25.00 C ATOM 441 O SER B 9 -0.243 -11.065 -13.082 1.00 25.00 O ATOM 442 CB SER B 9 -0.799 -13.669 -11.285 1.00 25.00 C ATOM 443 OG SER B 9 -0.243 -14.035 -12.544 1.00 25.00 O ATOM 0 H SER B 9 -1.708 -12.613 -9.264 1.00 25.00 H new ATOM 0 HA SER B 9 0.504 -11.988 -10.818 1.00 25.00 H new ATOM 0 HB2 SER B 9 -0.359 -14.285 -10.501 1.00 25.00 H new ATOM 0 HB3 SER B 9 -1.870 -13.872 -11.288 1.00 25.00 H new ATOM 0 HG SER B 9 -0.413 -14.985 -12.713 1.00 25.00 H new ATOM 449 N HIS B 10 -2.233 -10.807 -12.119 1.00 25.00 N ATOM 450 CA HIS B 10 -2.721 -9.965 -13.216 1.00 25.00 C ATOM 451 C HIS B 10 -1.866 -8.718 -13.374 1.00 25.00 C ATOM 452 O HIS B 10 -1.662 -8.241 -14.485 1.00 25.00 O ATOM 453 CB HIS B 10 -4.164 -9.538 -12.964 1.00 25.00 C ATOM 454 CG HIS B 10 -5.169 -10.288 -13.776 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.813 -9.758 -14.897 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.676 -11.548 -13.651 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.651 -10.668 -15.377 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.579 -11.748 -14.645 1.00 25.00 N ATOM 0 H HIS B 10 -2.901 -10.960 -11.363 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.664 -10.558 -14.129 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.393 -9.672 -11.907 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.260 -8.474 -13.178 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.405 -12.265 -12.890 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.291 -10.537 -16.237 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.114 -12.603 -14.796 1.00 25.00 H new ATOM 467 N LEU B 11 -1.375 -8.180 -12.267 1.00 25.00 N ATOM 468 CA LEU B 11 -0.604 -6.946 -12.306 1.00 25.00 C ATOM 469 C LEU B 11 0.716 -7.173 -13.014 1.00 25.00 C ATOM 470 O LEU B 11 1.062 -6.454 -13.935 1.00 25.00 O ATOM 471 CB LEU B 11 -0.386 -6.428 -10.879 1.00 25.00 C ATOM 472 CG LEU B 11 -0.657 -4.927 -10.681 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.764 -4.657 -9.196 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.428 -4.029 -11.283 1.00 25.00 C ATOM 0 H LEU B 11 -1.496 -8.576 -11.335 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.157 -6.192 -12.866 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -1.030 -6.990 -10.203 1.00 25.00 H new ATOM 0 HB3 LEU B 11 0.643 -6.637 -10.586 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.583 -4.687 -11.204 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.956 -3.597 -9.032 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.582 -5.243 -8.778 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.169 -4.936 -8.707 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.174 -2.984 -11.107 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.387 -4.253 -10.815 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.497 -4.210 -12.356 1.00 25.00 H new ATOM 486 N VAL B 12 1.448 -8.202 -12.604 1.00 25.00 N ATOM 487 CA VAL B 12 2.742 -8.491 -13.222 1.00 25.00 C ATOM 488 C VAL B 12 2.582 -8.959 -14.663 1.00 25.00 C ATOM 489 O VAL B 12 3.412 -8.652 -15.493 1.00 25.00 O ATOM 490 CB VAL B 12 3.587 -9.508 -12.379 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.001 -8.882 -11.053 1.00 25.00 C ATOM 492 CG2 VAL B 12 2.843 -10.803 -12.110 1.00 25.00 C ATOM 0 H VAL B 12 1.176 -8.843 -11.858 1.00 25.00 H new ATOM 0 HA VAL B 12 3.299 -7.554 -13.240 1.00 25.00 H new ATOM 0 HB VAL B 12 4.469 -9.748 -12.973 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.587 -9.600 -10.479 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.602 -7.992 -11.242 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.111 -8.605 -10.488 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.474 -11.470 -11.523 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.928 -10.589 -11.557 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.591 -11.281 -13.057 1.00 25.00 H new ATOM 502 N GLU B 13 1.471 -9.612 -14.980 1.00 25.00 N ATOM 503 CA GLU B 13 1.180 -9.992 -16.362 1.00 25.00 C ATOM 504 C GLU B 13 1.000 -8.750 -17.213 1.00 25.00 C ATOM 505 O GLU B 13 1.505 -8.670 -18.329 1.00 25.00 O ATOM 506 CB GLU B 13 -0.105 -10.827 -16.443 1.00 25.00 C ATOM 507 CG GLU B 13 0.157 -12.303 -16.601 1.00 25.00 C ATOM 508 CD GLU B 13 0.906 -12.624 -17.876 1.00 25.00 C ATOM 509 OE1 GLU B 13 1.995 -13.113 -17.894 1.00 25.00 O ATOM 510 OE2 GLU B 13 0.253 -12.307 -18.951 1.00 25.00 O ATOM 0 H GLU B 13 0.758 -9.890 -14.305 1.00 25.00 H new ATOM 0 HA GLU B 13 2.018 -10.584 -16.728 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.695 -10.663 -15.541 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.705 -10.479 -17.284 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.731 -12.661 -15.746 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.792 -12.840 -16.595 1.00 25.00 H new ATOM 518 N ALA B 14 0.296 -7.768 -16.673 1.00 25.00 N ATOM 519 CA ALA B 14 0.096 -6.520 -17.391 1.00 25.00 C ATOM 520 C ALA B 14 1.441 -5.828 -17.610 1.00 25.00 C ATOM 521 O ALA B 14 1.685 -5.289 -18.675 1.00 25.00 O ATOM 522 CB ALA B 14 -0.860 -5.607 -16.630 1.00 25.00 C ATOM 0 H ALA B 14 -0.141 -7.809 -15.752 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.350 -6.740 -18.361 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.996 -4.679 -17.185 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.823 -6.104 -16.514 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.445 -5.385 -15.647 1.00 25.00 H new ATOM 528 N LEU B 15 2.306 -5.857 -16.598 1.00 25.00 N ATOM 529 CA LEU B 15 3.631 -5.246 -16.730 1.00 25.00 C ATOM 530 C LEU B 15 4.501 -5.992 -17.738 1.00 25.00 C ATOM 531 O LEU B 15 5.225 -5.377 -18.498 1.00 25.00 O ATOM 532 CB LEU B 15 4.348 -5.188 -15.376 1.00 25.00 C ATOM 533 CG LEU B 15 3.683 -4.343 -14.285 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.552 -4.291 -13.032 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.428 -2.937 -14.797 1.00 25.00 C ATOM 0 H LEU B 15 2.121 -6.288 -15.692 1.00 25.00 H new ATOM 0 HA LEU B 15 3.475 -4.231 -17.096 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.453 -6.206 -15.002 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.355 -4.803 -15.539 1.00 25.00 H new ATOM 0 HG LEU B 15 2.732 -4.808 -14.025 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.059 -3.685 -12.272 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.701 -5.301 -12.651 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.518 -3.849 -13.277 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.955 -2.345 -14.014 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.374 -2.476 -15.080 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.771 -2.980 -15.666 1.00 25.00 H new ATOM 547 N TYR B 16 4.391 -7.317 -17.769 1.00 25.00 N ATOM 548 CA TYR B 16 5.138 -8.132 -18.725 1.00 25.00 C ATOM 549 C TYR B 16 4.711 -7.764 -20.137 1.00 25.00 C ATOM 550 O TYR B 16 5.538 -7.607 -21.024 1.00 25.00 O ATOM 551 CB TYR B 16 4.869 -9.611 -18.445 1.00 25.00 C ATOM 552 CG TYR B 16 5.429 -10.541 -19.500 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.771 -10.960 -19.457 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.611 -11.002 -20.556 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.289 -11.817 -20.453 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.131 -11.863 -21.554 1.00 25.00 C ATOM 557 CZ TYR B 16 6.464 -12.263 -21.493 1.00 25.00 C ATOM 558 OH TYR B 16 6.979 -13.095 -22.449 1.00 25.00 O ATOM 0 H TYR B 16 3.790 -7.851 -17.142 1.00 25.00 H new ATOM 0 HA TYR B 16 6.207 -7.947 -18.624 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.298 -9.873 -17.478 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.793 -9.768 -18.369 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.411 -10.623 -18.655 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.577 -10.694 -20.603 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.322 -12.129 -20.413 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.497 -12.207 -22.358 1.00 25.00 H new ATOM 0 HH TYR B 16 6.281 -13.316 -23.101 1.00 25.00 H new ATOM 568 N LEU B 17 3.419 -7.572 -20.336 1.00 25.00 N ATOM 569 CA LEU B 17 2.905 -7.199 -21.658 1.00 25.00 C ATOM 570 C LEU B 17 3.262 -5.756 -22.040 1.00 25.00 C ATOM 571 O LEU B 17 3.527 -5.474 -23.194 1.00 25.00 O ATOM 572 CB LEU B 17 1.391 -7.374 -21.690 1.00 25.00 C ATOM 573 CG LEU B 17 0.904 -8.835 -21.605 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.606 -8.851 -21.359 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.230 -9.613 -22.865 1.00 25.00 C ATOM 0 H LEU B 17 2.706 -7.665 -19.612 1.00 25.00 H new ATOM 0 HA LEU B 17 3.378 -7.858 -22.386 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.958 -6.813 -20.862 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.008 -6.932 -22.610 1.00 25.00 H new ATOM 0 HG LEU B 17 1.424 -9.318 -20.778 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.954 -9.882 -21.298 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.828 -8.338 -20.423 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.114 -8.345 -22.180 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.870 -10.637 -22.764 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.746 -9.141 -23.720 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.309 -9.621 -23.019 1.00 25.00 H new ATOM 587 N VAL B 18 3.231 -4.839 -21.089 1.00 25.00 N ATOM 588 CA VAL B 18 3.458 -3.427 -21.385 1.00 25.00 C ATOM 589 C VAL B 18 4.956 -3.050 -21.511 1.00 25.00 C ATOM 590 O VAL B 18 5.291 -2.081 -22.196 1.00 25.00 O ATOM 591 CB VAL B 18 2.733 -2.503 -20.334 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.571 -2.250 -19.109 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.340 -1.180 -20.986 1.00 25.00 C ATOM 0 H VAL B 18 3.052 -5.042 -20.106 1.00 25.00 H new ATOM 0 HA VAL B 18 3.020 -3.256 -22.368 1.00 25.00 H new ATOM 0 HB VAL B 18 1.839 -3.031 -20.004 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.023 -1.608 -18.419 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.797 -3.198 -18.621 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.501 -1.760 -19.399 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.840 -0.548 -20.253 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.234 -0.675 -21.351 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.665 -1.372 -21.820 1.00 25.00 H new ATOM 603 N CYS B 19 5.834 -3.789 -20.839 1.00 25.00 N ATOM 604 CA CYS B 19 7.277 -3.473 -20.844 1.00 25.00 C ATOM 605 C CYS B 19 8.133 -4.523 -21.536 1.00 25.00 C ATOM 606 O CYS B 19 9.320 -4.292 -21.823 1.00 25.00 O ATOM 607 CB CYS B 19 7.762 -3.286 -19.412 1.00 25.00 C ATOM 608 SG CYS B 19 6.943 -1.869 -18.630 1.00 25.00 S ATOM 0 H CYS B 19 5.584 -4.608 -20.284 1.00 25.00 H new ATOM 0 HA CYS B 19 7.390 -2.554 -21.419 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.563 -4.190 -18.836 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.842 -3.136 -19.406 1.00 25.00 H new ATOM 613 N GLY B 20 7.558 -5.677 -21.806 1.00 25.00 N ATOM 614 CA GLY B 20 8.273 -6.730 -22.492 1.00 25.00 C ATOM 615 C GLY B 20 9.511 -7.202 -21.762 1.00 25.00 C ATOM 616 O GLY B 20 9.498 -7.457 -20.557 1.00 25.00 O ATOM 0 H GLY B 20 6.596 -5.908 -21.560 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.603 -7.577 -22.637 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.559 -6.377 -23.483 1.00 25.00 H new ATOM 620 N GLU B 21 10.596 -7.293 -22.518 1.00 25.00 N ATOM 621 CA GLU B 21 11.883 -7.789 -22.033 1.00 25.00 C ATOM 622 C GLU B 21 12.541 -6.898 -20.975 1.00 25.00 C ATOM 623 O GLU B 21 13.528 -7.285 -20.365 1.00 25.00 O ATOM 624 CB GLU B 21 12.855 -7.914 -23.227 1.00 25.00 C ATOM 625 CG GLU B 21 12.380 -8.881 -24.320 1.00 25.00 C ATOM 626 CD GLU B 21 13.326 -8.935 -25.490 1.00 25.00 C ATOM 627 OE1 GLU B 21 13.828 -7.966 -25.985 1.00 25.00 O ATOM 628 OE2 GLU B 21 13.533 -10.121 -25.948 1.00 25.00 O ATOM 0 H GLU B 21 10.611 -7.021 -23.501 1.00 25.00 H new ATOM 0 HA GLU B 21 11.679 -8.749 -21.560 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.002 -6.928 -23.667 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.826 -8.246 -22.859 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.273 -9.880 -23.896 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.393 -8.575 -24.668 1.00 25.00 H new ATOM 636 N ARG B 22 12.027 -5.690 -20.775 1.00 25.00 N ATOM 637 CA ARG B 22 12.600 -4.786 -19.779 1.00 25.00 C ATOM 638 C ARG B 22 12.285 -5.226 -18.359 1.00 25.00 C ATOM 639 O ARG B 22 13.010 -4.871 -17.433 1.00 25.00 O ATOM 640 CB ARG B 22 12.090 -3.359 -19.982 1.00 25.00 C ATOM 641 CG ARG B 22 12.582 -2.702 -21.283 1.00 25.00 C ATOM 642 CD ARG B 22 14.103 -2.516 -21.313 1.00 25.00 C ATOM 643 NE ARG B 22 14.605 -1.645 -20.223 1.00 25.00 N ATOM 644 CZ ARG B 22 14.649 -0.315 -20.269 1.00 25.00 C ATOM 645 NH1 ARG B 22 14.229 0.369 -21.301 1.00 25.00 N ATOM 646 NH2 ARG B 22 15.141 0.344 -19.259 1.00 25.00 N ATOM 0 H ARG B 22 11.225 -5.315 -21.281 1.00 25.00 H new ATOM 0 HA ARG B 22 13.681 -4.816 -19.919 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.000 -3.369 -19.981 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.404 -2.747 -19.136 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.278 -3.314 -22.132 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.099 -1.732 -21.401 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.584 -3.492 -21.241 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.392 -2.089 -22.273 1.00 25.00 H new ATOM 0 HE ARG B 22 14.942 -2.099 -19.374 1.00 25.00 H new ATOM 0 HH11 ARG B 22 13.849 -0.116 -22.114 1.00 25.00 H new ATOM 0 HH12 ARG B 22 14.282 1.388 -21.293 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.488 -0.159 -18.442 1.00 25.00 H new ATOM 0 HH22 ARG B 22 15.179 1.363 -19.285 1.00 25.00 H new ATOM 660 N GLY B 23 11.222 -5.989 -18.194 1.00 25.00 N ATOM 661 CA GLY B 23 10.843 -6.477 -16.882 1.00 25.00 C ATOM 662 C GLY B 23 10.445 -5.382 -15.900 1.00 25.00 C ATOM 663 O GLY B 23 10.207 -4.233 -16.264 1.00 25.00 O ATOM 0 H GLY B 23 10.606 -6.284 -18.951 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.010 -7.172 -16.992 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.676 -7.041 -16.462 1.00 25.00 H new ATOM 667 N PHE B 24 10.350 -5.776 -14.644 1.00 25.00 N ATOM 668 CA PHE B 24 9.920 -4.901 -13.558 1.00 25.00 C ATOM 669 C PHE B 24 10.594 -5.490 -12.329 1.00 25.00 C ATOM 670 O PHE B 24 11.168 -6.583 -12.412 1.00 25.00 O ATOM 671 CB PHE B 24 8.399 -4.931 -13.428 1.00 25.00 C ATOM 672 CG PHE B 24 7.796 -6.293 -13.658 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.726 -7.222 -12.610 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.306 -6.655 -14.926 1.00 25.00 C ATOM 675 CE1 PHE B 24 7.185 -8.516 -12.828 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.755 -7.929 -15.147 1.00 25.00 C ATOM 677 CZ PHE B 24 6.707 -8.869 -14.101 1.00 25.00 C ATOM 0 H PHE B 24 10.571 -6.724 -14.340 1.00 25.00 H new ATOM 0 HA PHE B 24 10.188 -3.856 -13.713 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.122 -4.585 -12.432 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.969 -4.228 -14.141 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.087 -6.951 -11.629 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.354 -5.946 -15.739 1.00 25.00 H new ATOM 0 HE1 PHE B 24 7.141 -9.228 -12.017 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.368 -8.187 -16.122 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.305 -9.856 -14.276 1.00 25.00 H new ATOM 687 N PHE B 25 10.573 -4.773 -11.216 1.00 25.00 N ATOM 688 CA PHE B 25 11.260 -5.243 -10.015 1.00 25.00 C ATOM 689 C PHE B 25 10.460 -6.318 -9.259 1.00 25.00 C ATOM 690 O PHE B 25 9.646 -6.025 -8.385 1.00 25.00 O ATOM 691 CB PHE B 25 11.610 -4.070 -9.096 1.00 25.00 C ATOM 692 CG PHE B 25 12.805 -4.338 -8.211 1.00 25.00 C ATOM 693 CD1 PHE B 25 12.712 -5.230 -7.124 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.042 -3.708 -8.470 1.00 25.00 C ATOM 695 CE1 PHE B 25 13.846 -5.491 -6.309 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.174 -3.962 -7.661 1.00 25.00 C ATOM 697 CZ PHE B 25 15.076 -4.855 -6.584 1.00 25.00 C ATOM 0 H PHE B 25 10.097 -3.877 -11.115 1.00 25.00 H new ATOM 0 HA PHE B 25 12.186 -5.716 -10.343 1.00 25.00 H new ATOM 0 HB2 PHE B 25 11.808 -3.188 -9.705 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.748 -3.838 -8.470 1.00 25.00 H new ATOM 0 HD1 PHE B 25 11.773 -5.718 -6.909 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.125 -3.021 -9.299 1.00 25.00 H new ATOM 0 HE1 PHE B 25 13.767 -6.177 -5.478 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.112 -3.469 -7.872 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.939 -5.056 -5.967 1.00 25.00 H new HETATM 707 N NVA B 26 10.758 -7.594 -9.601 1.00 25.00 N HETATM 708 CA NVA B 26 10.155 -8.851 -8.994 1.00 25.00 C HETATM 709 CB NVA B 26 9.502 -9.713 -10.110 1.00 25.00 C HETATM 710 CG NVA B 26 10.548 -10.309 -11.128 1.00 25.00 C HETATM 711 CD NVA B 26 9.895 -11.453 -11.962 1.00 25.00 C HETATM 712 C NVA B 26 11.140 -9.692 -8.124 1.00 25.00 C HETATM 713 O NVA B 26 10.803 -10.765 -7.654 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.907 -9.524 -11.793 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.415 -10.691 -10.588 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.043 -11.059 -12.516 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.946 -10.530 -9.650 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.781 -9.104 -10.655 1.00 25.00 H new HETATM 0 HA NVA B 26 9.392 -8.516 -8.291 1.00 25.00 H new ATOM 722 N THR B 27 12.376 -9.143 -7.928 1.00 25.00 N ATOM 723 CA THR B 27 13.571 -9.752 -7.297 1.00 25.00 C ATOM 724 C THR B 27 14.153 -10.800 -8.274 1.00 25.00 C ATOM 725 O THR B 27 13.565 -11.053 -9.312 1.00 25.00 O ATOM 726 CB THR B 27 13.282 -10.320 -5.874 1.00 25.00 C ATOM 727 OG1 THR B 27 12.670 -11.596 -5.955 1.00 25.00 O ATOM 728 CG2 THR B 27 12.391 -9.396 -5.047 1.00 25.00 C ATOM 0 H THR B 27 12.569 -8.189 -8.233 1.00 25.00 H new ATOM 0 HA THR B 27 14.322 -8.982 -7.120 1.00 25.00 H new ATOM 0 HB THR B 27 14.248 -10.401 -5.376 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.065 -11.620 -6.725 1.00 25.00 H new ATOM 0 HG21 THR B 27 12.220 -9.838 -4.065 1.00 25.00 H new ATOM 0 HG22 THR B 27 12.880 -8.429 -4.930 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.436 -9.261 -5.555 1.00 25.00 H new ATOM 736 N PRO B 28 15.383 -11.308 -8.028 1.00 25.00 N ATOM 737 CA PRO B 28 15.907 -12.142 -9.128 1.00 25.00 C ATOM 738 C PRO B 28 15.294 -13.543 -9.259 1.00 25.00 C ATOM 739 O PRO B 28 15.358 -14.371 -8.331 1.00 25.00 O ATOM 740 CB PRO B 28 17.393 -12.233 -8.789 1.00 25.00 C ATOM 741 CG PRO B 28 17.443 -12.144 -7.316 1.00 25.00 C ATOM 742 CD PRO B 28 16.382 -11.148 -6.957 1.00 25.00 C ATOM 0 HA PRO B 28 15.667 -11.696 -10.093 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.825 -13.169 -9.145 1.00 25.00 H new ATOM 0 HB3 PRO B 28 17.956 -11.424 -9.255 1.00 25.00 H new ATOM 0 HG2 PRO B 28 17.249 -13.112 -6.854 1.00 25.00 H new ATOM 0 HG3 PRO B 28 18.425 -11.818 -6.972 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.955 -11.353 -5.976 1.00 25.00 H new ATOM 0 HD3 PRO B 28 16.778 -10.133 -6.926 1.00 25.00 H new HETATM 750 N HIX B 29 14.784 -13.837 -10.473 1.00 25.00 N HETATM 751 CA HIX B 29 14.291 -15.175 -10.931 1.00 25.00 C HETATM 752 C HIX B 29 15.476 -16.180 -11.158 1.00 25.00 C HETATM 753 O HIX B 29 15.785 -16.638 -12.252 1.00 25.00 O HETATM 754 CB HIX B 29 13.403 -15.029 -12.218 1.00 25.00 C HETATM 755 CG HIX B 29 12.153 -14.273 -11.974 1.00 25.00 C HETATM 756 CD2 HIX B 29 11.996 -12.949 -12.277 1.00 25.00 C HETATM 757 ND1 HIX B 29 10.949 -14.715 -11.438 1.00 25.00 N HETATM 758 NE1 HIX B 29 9.932 -13.768 -11.367 1.00 25.00 N HETATM 759 NE2 HIX B 29 10.675 -12.693 -11.888 1.00 25.00 N ATOM 766 N THR B 30 16.217 -16.443 -10.062 1.00 25.00 N ATOM 767 CA THR B 30 17.470 -17.258 -10.045 1.00 25.00 C ATOM 768 C THR B 30 17.789 -17.802 -8.663 1.00 25.00 C ATOM 769 O THR B 30 18.224 -18.911 -8.452 1.00 25.00 O ATOM 770 CB THR B 30 18.661 -16.429 -10.575 1.00 25.00 C ATOM 771 OG1 THR B 30 18.210 -15.118 -10.865 1.00 25.00 O ATOM 772 CG2 THR B 30 19.241 -17.008 -11.878 1.00 25.00 C ATOM 773 OXT THR B 30 17.584 -16.971 -7.690 1.00 25.00 O ATOM 0 H THR B 30 15.963 -16.091 -9.139 1.00 25.00 H new ATOM 0 HA THR B 30 17.302 -18.112 -10.701 1.00 25.00 H new ATOM 0 HB THR B 30 19.434 -16.443 -9.807 1.00 25.00 H new ATOM 0 HG1 THR B 30 18.958 -14.582 -11.201 1.00 25.00 H new ATOM 0 HG21 THR B 30 20.075 -16.391 -12.211 1.00 25.00 H new ATOM 0 HG22 THR B 30 19.590 -18.025 -11.700 1.00 25.00 H new ATOM 0 HG23 THR B 30 18.469 -17.019 -12.647 1.00 25.00 H new TER 782 THR B 30