USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 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 HD2 : 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 12 SER OG : rot 80:sc= 0.107 USER MOD Set 1.2: A 14 TYR OH : rot -95:sc= 0.0334 USER MOD Set 1.3: A 15 GLN : amide:sc= 1.08 K(o=1.2,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.125 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 92:sc= 0.991 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 18 ASN : amide:sc= 0.07 X(o=0.07,f=0) USER MOD Single : A 19 TYR OH : rot -110:sc= -0.129 USER MOD Single : A 21 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.43) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : B 5 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.056) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.709 K(o=0.71,f=-2.2!) USER MOD Single : B 16 TYR OH : rot -170:sc= -0.583 USER MOD Single : B 27 THR OG1 : rot -63:sc= 1.3 USER MOD Single : B 30 THR OG1 : rot -62:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.232 1.346 -0.748 1.00 25.00 N ATOM 2 CA GLY A 1 1.232 0.697 -1.613 1.00 25.00 C ATOM 3 C GLY A 1 0.598 0.215 -2.884 1.00 25.00 C ATOM 4 O GLY A 1 -0.364 0.842 -3.282 1.00 25.00 O ATOM 0 H1 GLY A 1 0.623 2.232 -0.369 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.623 1.554 -1.302 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.011 0.711 0.039 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.032 1.400 -1.843 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.687 -0.142 -1.086 1.00 25.00 H new ATOM 10 N ILE A 2 1.100 -0.832 -3.520 1.00 25.00 N ATOM 11 CA ILE A 2 0.549 -1.204 -4.824 1.00 25.00 C ATOM 12 C ILE A 2 0.268 -2.714 -4.911 1.00 25.00 C ATOM 13 O ILE A 2 -0.640 -3.114 -5.605 1.00 25.00 O ATOM 14 CB ILE A 2 1.540 -0.772 -5.970 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.936 -0.967 -7.383 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.887 -1.535 -5.868 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.834 -0.387 -8.590 1.00 25.00 C ATOM 0 H ILE A 2 1.858 -1.422 -3.177 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.400 -0.682 -4.947 1.00 25.00 H new ATOM 0 HB ILE A 2 1.720 0.294 -5.828 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.774 -2.032 -7.549 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.042 -0.487 -7.414 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.549 -1.214 -6.673 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.354 -1.321 -4.907 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.706 -2.606 -5.953 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.330 -0.570 -9.539 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.976 0.685 -8.455 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.804 -0.884 -8.593 1.00 25.00 H new ATOM 29 N VAL A 3 0.990 -3.517 -4.168 1.00 25.00 N ATOM 30 CA VAL A 3 0.804 -4.944 -4.285 1.00 25.00 C ATOM 31 C VAL A 3 -0.596 -5.381 -3.890 1.00 25.00 C ATOM 32 O VAL A 3 -1.229 -6.120 -4.624 1.00 25.00 O ATOM 33 CB VAL A 3 1.878 -5.717 -3.429 1.00 25.00 C ATOM 34 CG1 VAL A 3 1.681 -7.243 -3.478 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.295 -5.349 -3.969 1.00 25.00 C ATOM 0 H VAL A 3 1.694 -3.219 -3.493 1.00 25.00 H new ATOM 0 HA VAL A 3 0.937 -5.194 -5.338 1.00 25.00 H new ATOM 0 HB VAL A 3 1.766 -5.417 -2.387 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.446 -7.728 -2.872 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.695 -7.495 -3.088 1.00 25.00 H new ATOM 0 HG13 VAL A 3 1.762 -7.587 -4.509 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.053 -5.875 -3.389 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.372 -5.641 -5.016 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.450 -4.274 -3.880 1.00 25.00 H new ATOM 45 N GLU A 4 -1.043 -4.958 -2.693 1.00 25.00 N ATOM 46 CA GLU A 4 -2.313 -5.483 -2.185 1.00 25.00 C ATOM 47 C GLU A 4 -3.464 -4.934 -3.056 1.00 25.00 C ATOM 48 O GLU A 4 -4.490 -5.579 -3.237 1.00 25.00 O ATOM 49 CB GLU A 4 -2.522 -5.116 -0.713 1.00 25.00 C ATOM 50 CG GLU A 4 -3.722 -5.891 -0.002 1.00 25.00 C ATOM 51 CD GLU A 4 -3.959 -5.398 1.442 1.00 25.00 C ATOM 52 OE1 GLU A 4 -2.969 -5.274 2.176 1.00 25.00 O ATOM 53 OE2 GLU A 4 -5.135 -5.079 1.768 1.00 25.00 O ATOM 0 H GLU A 4 -0.568 -4.287 -2.089 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.296 -6.571 -2.243 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.601 -5.319 -0.167 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.706 -4.044 -0.641 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.634 -5.758 -0.584 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.505 -6.959 0.011 1.00 25.00 H new ATOM 60 N GLN A 5 -3.300 -3.757 -3.580 1.00 25.00 N ATOM 61 CA GLN A 5 -4.346 -3.124 -4.397 1.00 25.00 C ATOM 62 C GLN A 5 -4.377 -3.813 -5.739 1.00 25.00 C ATOM 63 O GLN A 5 -5.453 -3.873 -6.337 1.00 25.00 O ATOM 64 CB GLN A 5 -4.070 -1.673 -4.552 1.00 25.00 C ATOM 65 CG GLN A 5 -4.145 -0.859 -3.216 1.00 25.00 C ATOM 66 CD GLN A 5 -3.945 0.576 -3.421 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.917 1.054 -4.556 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.677 1.290 -2.360 1.00 25.00 N ATOM 0 H GLN A 5 -2.455 -3.196 -3.468 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.317 -3.224 -3.912 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -3.078 -1.548 -4.986 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -4.783 -1.253 -5.261 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -5.116 -1.024 -2.748 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -3.390 -1.232 -2.524 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.710 0.861 -1.435 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.435 2.276 -2.457 1.00 25.00 H new ATOM 77 N CYS A 6 -3.241 -4.247 -6.235 1.00 25.00 N ATOM 78 CA CYS A 6 -3.171 -4.961 -7.534 1.00 25.00 C ATOM 79 C CYS A 6 -3.753 -6.365 -7.402 1.00 25.00 C ATOM 80 O CYS A 6 -4.302 -6.905 -8.349 1.00 25.00 O ATOM 81 CB CYS A 6 -1.725 -5.050 -8.009 1.00 25.00 C ATOM 82 SG CYS A 6 -1.444 -5.758 -9.654 1.00 25.00 S ATOM 0 H CYS A 6 -2.339 -4.128 -5.774 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.755 -4.402 -8.265 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.301 -4.046 -7.995 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.166 -5.642 -7.285 1.00 25.00 H new ATOM 87 N CYS A 7 -3.567 -6.936 -6.195 1.00 25.00 N ATOM 88 CA CYS A 7 -3.968 -8.306 -5.941 1.00 25.00 C ATOM 89 C CYS A 7 -5.476 -8.399 -5.699 1.00 25.00 C ATOM 90 O CYS A 7 -6.189 -9.189 -6.351 1.00 25.00 O ATOM 91 CB CYS A 7 -3.203 -8.797 -4.668 1.00 25.00 C ATOM 92 SG CYS A 7 -1.553 -9.568 -4.905 1.00 25.00 S ATOM 0 H CYS A 7 -3.144 -6.462 -5.397 1.00 25.00 H new ATOM 0 HA CYS A 7 -3.729 -8.925 -6.806 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -3.081 -7.944 -4.000 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.838 -9.517 -4.152 1.00 25.00 H new ATOM 97 N THR A 8 -5.969 -7.668 -4.711 1.00 25.00 N ATOM 98 CA THR A 8 -7.350 -7.834 -4.198 1.00 25.00 C ATOM 99 C THR A 8 -8.378 -7.156 -5.104 1.00 25.00 C ATOM 100 O THR A 8 -9.476 -6.852 -4.693 1.00 25.00 O ATOM 101 CB THR A 8 -7.394 -7.241 -2.811 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.118 -7.505 -2.267 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.424 -7.940 -1.998 1.00 25.00 C ATOM 0 H THR A 8 -5.437 -6.941 -4.233 1.00 25.00 H new ATOM 0 HA THR A 8 -7.607 -8.893 -4.176 1.00 25.00 H new ATOM 0 HB THR A 8 -7.637 -6.178 -2.824 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.520 -6.752 -2.455 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.452 -7.509 -0.997 1.00 25.00 H new ATOM 0 HG22 THR A 8 -9.400 -7.825 -2.470 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.176 -8.999 -1.929 1.00 25.00 H new ATOM 111 N SER A 9 -8.002 -6.897 -6.355 1.00 25.00 N ATOM 112 CA SER A 9 -8.884 -6.274 -7.315 1.00 25.00 C ATOM 113 C SER A 9 -8.405 -6.602 -8.739 1.00 25.00 C ATOM 114 O SER A 9 -7.387 -7.225 -8.976 1.00 25.00 O ATOM 115 CB SER A 9 -8.888 -4.752 -7.146 1.00 25.00 C ATOM 116 OG SER A 9 -10.079 -4.235 -7.661 1.00 25.00 O ATOM 0 H SER A 9 -7.076 -7.116 -6.722 1.00 25.00 H new ATOM 0 HA SER A 9 -9.891 -6.657 -7.149 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.790 -4.491 -6.092 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.034 -4.315 -7.663 1.00 25.00 H new ATOM 0 HG SER A 9 -10.086 -3.261 -7.553 1.00 25.00 H new ATOM 122 N ILE A 10 -9.153 -6.100 -9.726 1.00 25.00 N ATOM 123 CA ILE A 10 -8.674 -6.103 -11.076 1.00 25.00 C ATOM 124 C ILE A 10 -7.536 -5.097 -11.059 1.00 25.00 C ATOM 125 O ILE A 10 -7.709 -3.992 -10.593 1.00 25.00 O ATOM 126 CB ILE A 10 -9.792 -5.620 -12.109 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.996 -6.610 -12.111 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.217 -5.456 -13.488 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.685 -8.038 -12.715 1.00 25.00 C ATOM 0 H ILE A 10 -10.080 -5.695 -9.600 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.379 -7.103 -11.393 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.157 -4.644 -11.789 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.347 -6.734 -11.087 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.814 -6.163 -12.676 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.999 -5.126 -14.172 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.420 -4.713 -13.464 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.814 -6.409 -13.830 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.583 -8.654 -12.673 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.366 -7.933 -13.752 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.892 -8.512 -12.137 1.00 25.00 H new ATOM 141 N CYS A 11 -6.402 -5.505 -11.622 1.00 25.00 N ATOM 142 CA CYS A 11 -5.204 -4.640 -11.725 1.00 25.00 C ATOM 143 C CYS A 11 -5.135 -4.002 -13.122 1.00 25.00 C ATOM 144 O CYS A 11 -5.201 -4.701 -14.176 1.00 25.00 O ATOM 145 CB CYS A 11 -3.968 -5.487 -11.414 1.00 25.00 C ATOM 146 SG CYS A 11 -2.473 -4.535 -10.919 1.00 25.00 S ATOM 0 H CYS A 11 -6.276 -6.435 -12.020 1.00 25.00 H new ATOM 0 HA CYS A 11 -5.254 -3.823 -11.006 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.217 -6.185 -10.614 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.725 -6.084 -12.293 1.00 25.00 H new ATOM 151 N SER A 12 -5.166 -2.663 -13.145 1.00 25.00 N ATOM 152 CA SER A 12 -5.350 -1.907 -14.385 1.00 25.00 C ATOM 153 C SER A 12 -4.023 -1.895 -15.142 1.00 25.00 C ATOM 154 O SER A 12 -3.000 -2.082 -14.526 1.00 25.00 O ATOM 155 CB SER A 12 -5.740 -0.464 -14.077 1.00 25.00 C ATOM 156 OG SER A 12 -6.921 -0.404 -13.267 1.00 25.00 O ATOM 0 H SER A 12 -5.065 -2.081 -12.313 1.00 25.00 H new ATOM 0 HA SER A 12 -6.138 -2.373 -14.976 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.918 0.035 -13.563 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.908 0.076 -15.009 1.00 25.00 H new ATOM 0 HG SER A 12 -6.685 -0.573 -12.331 1.00 25.00 H new ATOM 162 N LEU A 13 -4.053 -1.629 -16.438 1.00 25.00 N ATOM 163 CA LEU A 13 -2.837 -1.588 -17.295 1.00 25.00 C ATOM 164 C LEU A 13 -1.812 -0.623 -16.803 1.00 25.00 C ATOM 165 O LEU A 13 -0.620 -0.910 -16.826 1.00 25.00 O ATOM 166 CB LEU A 13 -3.221 -1.305 -18.774 1.00 25.00 C ATOM 167 CG LEU A 13 -2.126 -1.370 -19.878 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.597 -2.762 -19.995 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.639 -0.900 -21.268 1.00 25.00 C ATOM 0 H LEU A 13 -4.916 -1.432 -16.945 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.374 -2.573 -17.239 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.004 -2.012 -19.049 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.663 -0.309 -18.811 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.335 -0.686 -19.572 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.832 -2.796 -20.770 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.163 -3.068 -19.043 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.410 -3.439 -20.257 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.831 -0.968 -21.996 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.467 -1.535 -21.584 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -2.980 0.133 -21.200 1.00 25.00 H new ATOM 181 N TYR A 14 -2.260 0.503 -16.348 1.00 25.00 N ATOM 182 CA TYR A 14 -1.316 1.515 -15.899 1.00 25.00 C ATOM 183 C TYR A 14 -0.684 1.080 -14.572 1.00 25.00 C ATOM 184 O TYR A 14 0.526 1.359 -14.352 1.00 25.00 O ATOM 185 CB TYR A 14 -2.022 2.864 -15.824 1.00 25.00 C ATOM 186 CG TYR A 14 -3.384 2.864 -15.129 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.484 2.994 -13.755 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.561 2.685 -15.861 1.00 25.00 C ATOM 189 CE1 TYR A 14 -4.749 2.954 -13.114 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.824 2.683 -15.235 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.911 2.804 -13.856 1.00 25.00 C ATOM 192 OH TYR A 14 -7.155 2.766 -13.235 1.00 25.00 O ATOM 0 H TYR A 14 -3.245 0.756 -16.272 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.497 1.626 -16.609 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.370 3.566 -15.304 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.153 3.241 -16.838 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -2.590 3.127 -13.164 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.502 2.545 -16.930 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -4.808 3.041 -12.039 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.722 2.587 -15.828 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.415 1.834 -13.081 1.00 25.00 H new ATOM 202 N GLN A 15 -1.425 0.377 -13.725 1.00 25.00 N ATOM 203 CA GLN A 15 -0.857 -0.084 -12.442 1.00 25.00 C ATOM 204 C GLN A 15 0.224 -1.141 -12.721 1.00 25.00 C ATOM 205 O GLN A 15 1.276 -1.189 -12.088 1.00 25.00 O ATOM 206 CB GLN A 15 -1.976 -0.725 -11.592 1.00 25.00 C ATOM 207 CG GLN A 15 -2.982 0.261 -11.033 1.00 25.00 C ATOM 208 CD GLN A 15 -4.148 -0.407 -10.289 1.00 25.00 C ATOM 209 OE1 GLN A 15 -5.001 -1.020 -10.908 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.205 -0.255 -9.002 1.00 25.00 N ATOM 0 H GLN A 15 -2.397 0.113 -13.886 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.423 0.761 -11.908 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.504 -1.458 -12.202 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.520 -1.269 -10.764 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.471 0.943 -10.353 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.380 0.864 -11.849 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.473 0.264 -8.517 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.982 -0.655 -8.475 1.00 25.00 H new ATOM 219 N LEU A 16 -0.089 -1.964 -13.696 1.00 25.00 N ATOM 220 CA LEU A 16 0.776 -3.014 -14.145 1.00 25.00 C ATOM 221 C LEU A 16 2.087 -2.419 -14.714 1.00 25.00 C ATOM 222 O LEU A 16 3.180 -2.855 -14.378 1.00 25.00 O ATOM 223 CB LEU A 16 0.001 -3.831 -15.162 1.00 25.00 C ATOM 224 CG LEU A 16 0.471 -5.229 -15.577 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.519 -5.703 -16.624 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.866 -5.282 -16.129 1.00 25.00 C ATOM 0 H LEU A 16 -0.972 -1.915 -14.205 1.00 25.00 H new ATOM 0 HA LEU A 16 1.078 -3.668 -13.327 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -1.014 -3.936 -14.779 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.061 -3.233 -16.071 1.00 25.00 H new ATOM 0 HG LEU A 16 0.505 -5.864 -14.692 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.239 -6.700 -16.964 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.519 -5.734 -16.191 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.511 -5.016 -17.470 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.113 -6.310 -16.396 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.931 -4.651 -17.016 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.569 -4.923 -15.377 1.00 25.00 H new ATOM 238 N GLU A 17 1.973 -1.408 -15.578 1.00 25.00 N ATOM 239 CA GLU A 17 3.118 -0.731 -16.171 1.00 25.00 C ATOM 240 C GLU A 17 3.934 0.020 -15.117 1.00 25.00 C ATOM 241 O GLU A 17 5.122 0.170 -15.280 1.00 25.00 O ATOM 242 CB GLU A 17 2.626 0.257 -17.229 1.00 25.00 C ATOM 243 CG GLU A 17 2.172 -0.431 -18.491 1.00 25.00 C ATOM 244 CD GLU A 17 3.293 -0.565 -19.494 1.00 25.00 C ATOM 245 OE1 GLU A 17 4.396 -0.954 -19.116 1.00 25.00 O ATOM 246 OE2 GLU A 17 3.014 -0.334 -20.676 1.00 25.00 O ATOM 0 H GLU A 17 1.074 -1.037 -15.885 1.00 25.00 H new ATOM 0 HA GLU A 17 3.762 -1.485 -16.624 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.802 0.842 -16.821 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.426 0.957 -17.468 1.00 25.00 H new ATOM 0 HG2 GLU A 17 1.784 -1.420 -18.246 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.352 0.132 -18.936 1.00 25.00 H new ATOM 253 N ASN A 18 3.291 0.439 -14.064 1.00 25.00 N ATOM 254 CA ASN A 18 3.981 1.101 -12.984 1.00 25.00 C ATOM 255 C ASN A 18 5.007 0.233 -12.264 1.00 25.00 C ATOM 256 O ASN A 18 5.861 0.778 -11.552 1.00 25.00 O ATOM 257 CB ASN A 18 2.946 1.559 -11.984 1.00 25.00 C ATOM 258 CG ASN A 18 3.025 3.012 -11.708 1.00 25.00 C ATOM 259 OD1 ASN A 18 2.107 3.782 -11.950 1.00 25.00 O ATOM 260 ND2 ASN A 18 4.158 3.416 -11.187 1.00 25.00 N ATOM 0 H ASN A 18 2.286 0.335 -13.927 1.00 25.00 H new ATOM 0 HA ASN A 18 4.540 1.927 -13.423 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.952 1.318 -12.359 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.077 1.008 -11.053 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.296 4.403 -10.970 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.901 2.743 -10.999 1.00 25.00 H new ATOM 267 N TYR A 19 4.896 -1.105 -12.416 1.00 25.00 N ATOM 268 CA TYR A 19 5.865 -2.067 -11.824 1.00 25.00 C ATOM 269 C TYR A 19 7.149 -2.084 -12.678 1.00 25.00 C ATOM 270 O TYR A 19 8.232 -2.436 -12.217 1.00 25.00 O ATOM 271 CB TYR A 19 5.306 -3.483 -11.805 1.00 25.00 C ATOM 272 CG TYR A 19 4.306 -3.756 -10.652 1.00 25.00 C ATOM 273 CD1 TYR A 19 4.728 -4.234 -9.404 1.00 25.00 C ATOM 274 CD2 TYR A 19 2.924 -3.587 -10.857 1.00 25.00 C ATOM 275 CE1 TYR A 19 3.798 -4.507 -8.386 1.00 25.00 C ATOM 276 CE2 TYR A 19 1.995 -3.886 -9.825 1.00 25.00 C ATOM 277 CZ TYR A 19 2.446 -4.327 -8.605 1.00 25.00 C ATOM 278 OH TYR A 19 1.524 -4.562 -7.630 1.00 25.00 O ATOM 0 H TYR A 19 4.145 -1.549 -12.944 1.00 25.00 H new ATOM 0 HA TYR A 19 6.067 -1.746 -10.802 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.809 -3.678 -12.755 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.134 -4.188 -11.727 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.780 -4.395 -9.222 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.566 -3.226 -11.810 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.143 -4.860 -7.425 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.936 -3.767 -9.999 1.00 25.00 H new ATOM 0 HH TYR A 19 1.003 -5.360 -7.858 1.00 25.00 H new ATOM 288 N CYS A 20 7.000 -1.774 -13.944 1.00 25.00 N ATOM 289 CA CYS A 20 8.131 -1.734 -14.858 1.00 25.00 C ATOM 290 C CYS A 20 8.712 -0.328 -14.719 1.00 25.00 C ATOM 291 O CYS A 20 8.140 0.538 -14.028 1.00 25.00 O ATOM 292 CB CYS A 20 7.695 -2.057 -16.309 1.00 25.00 C ATOM 293 SG CYS A 20 8.012 -3.803 -16.762 1.00 25.00 S ATOM 0 H CYS A 20 6.103 -1.544 -14.372 1.00 25.00 H new ATOM 0 HA CYS A 20 8.880 -2.489 -14.618 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.632 -1.842 -16.422 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.228 -1.403 -16.999 1.00 25.00 H new ATOM 298 N ASN A 21 9.881 -0.110 -15.295 1.00 25.00 N ATOM 299 CA ASN A 21 10.485 1.230 -15.256 1.00 25.00 C ATOM 300 C ASN A 21 9.788 2.242 -16.182 1.00 25.00 C ATOM 301 O ASN A 21 9.438 3.301 -15.671 1.00 25.00 O ATOM 302 CB ASN A 21 11.942 1.156 -15.693 1.00 25.00 C ATOM 303 CG ASN A 21 12.803 0.581 -14.621 1.00 25.00 C ATOM 304 OD1 ASN A 21 12.677 0.968 -13.481 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.628 -0.385 -14.960 1.00 25.00 N ATOM 306 OXT ASN A 21 9.716 2.002 -17.407 1.00 25.00 O ATOM 0 H ASN A 21 10.428 -0.817 -15.786 1.00 25.00 H new ATOM 0 HA ASN A 21 10.380 1.570 -14.226 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.023 0.546 -16.593 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.297 2.154 -15.951 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.197 -0.843 -14.248 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.699 -0.676 -15.935 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -3.534 -7.325 -23.204 1.00 25.00 N ATOM 315 CA PHE B 1 -3.778 -7.494 -21.744 1.00 25.00 C ATOM 316 C PHE B 1 -5.241 -7.470 -21.395 1.00 25.00 C ATOM 317 O PHE B 1 -5.696 -8.356 -20.692 1.00 25.00 O ATOM 318 CB PHE B 1 -3.058 -6.425 -20.908 1.00 25.00 C ATOM 319 CG PHE B 1 -3.172 -6.688 -19.406 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.589 -7.821 -18.852 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.974 -5.873 -18.578 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.753 -8.168 -17.508 1.00 25.00 C ATOM 323 CE2 PHE B 1 -4.140 -6.187 -17.183 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.561 -7.356 -16.680 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.511 -7.349 -23.390 1.00 25.00 H new ATOM 0 H2 PHE B 1 -3.999 -8.096 -23.725 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.922 -6.412 -23.517 1.00 25.00 H new ATOM 0 HA PHE B 1 -3.373 -8.476 -21.501 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -2.006 -6.394 -21.190 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.478 -5.445 -21.136 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.987 -8.457 -19.483 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.467 -5.007 -18.995 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.268 -9.046 -17.107 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.702 -5.530 -16.536 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.732 -7.640 -15.652 1.00 25.00 H new ATOM 336 N VAL B 2 -5.931 -6.430 -21.819 1.00 25.00 N ATOM 337 CA VAL B 2 -7.342 -6.197 -21.433 1.00 25.00 C ATOM 338 C VAL B 2 -7.368 -5.914 -19.909 1.00 25.00 C ATOM 339 O VAL B 2 -7.041 -4.805 -19.524 1.00 25.00 O ATOM 340 CB VAL B 2 -8.265 -7.358 -21.954 1.00 25.00 C ATOM 341 CG1 VAL B 2 -9.734 -6.951 -21.828 1.00 25.00 C ATOM 342 CG2 VAL B 2 -7.951 -7.723 -23.413 1.00 25.00 C ATOM 0 H VAL B 2 -5.548 -5.716 -22.438 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.771 -5.319 -21.915 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.071 -8.237 -21.340 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.368 -7.760 -22.191 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.967 -6.748 -20.783 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -9.915 -6.054 -22.421 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.610 -8.529 -23.736 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -8.106 -6.851 -24.048 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.914 -8.049 -23.491 1.00 25.00 H new ATOM 352 N ASN B 3 -7.709 -6.881 -19.054 1.00 25.00 N ATOM 353 CA ASN B 3 -7.729 -6.701 -17.584 1.00 25.00 C ATOM 354 C ASN B 3 -7.565 -8.077 -16.932 1.00 25.00 C ATOM 355 O ASN B 3 -7.866 -9.076 -17.574 1.00 25.00 O ATOM 356 CB ASN B 3 -9.080 -6.077 -17.153 1.00 25.00 C ATOM 357 CG ASN B 3 -10.259 -6.989 -17.412 1.00 25.00 C ATOM 358 OD1 ASN B 3 -10.479 -7.971 -16.710 1.00 25.00 O ATOM 359 ND2 ASN B 3 -11.077 -6.628 -18.355 1.00 25.00 N ATOM 0 H ASN B 3 -7.981 -7.817 -19.354 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.922 -6.038 -17.274 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.040 -5.835 -16.091 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.228 -5.139 -17.688 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.927 -7.166 -18.526 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.869 -5.807 -18.924 1.00 25.00 H new ATOM 366 N GLN B 4 -7.102 -8.129 -15.676 1.00 25.00 N ATOM 367 CA GLN B 4 -7.027 -9.411 -14.933 1.00 25.00 C ATOM 368 C GLN B 4 -6.849 -9.158 -13.415 1.00 25.00 C ATOM 369 O GLN B 4 -6.429 -8.087 -13.022 1.00 25.00 O ATOM 370 CB GLN B 4 -5.819 -10.249 -15.433 1.00 25.00 C ATOM 371 CG GLN B 4 -6.169 -11.753 -15.718 1.00 25.00 C ATOM 372 CD GLN B 4 -5.712 -12.691 -14.615 1.00 25.00 C ATOM 373 OE1 GLN B 4 -4.529 -12.899 -14.413 1.00 25.00 O ATOM 374 NE2 GLN B 4 -6.640 -13.246 -13.879 1.00 25.00 N ATOM 0 H GLN B 4 -6.776 -7.316 -15.153 1.00 25.00 H new ATOM 0 HA GLN B 4 -7.958 -9.950 -15.107 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -5.427 -9.797 -16.344 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -5.024 -10.205 -14.688 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.247 -11.851 -15.846 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -5.707 -12.055 -16.658 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.624 -13.055 -14.069 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -6.380 -13.870 -13.115 1.00 25.00 H new ATOM 383 N HIS B 5 -7.122 -10.157 -12.587 1.00 25.00 N ATOM 384 CA HIS B 5 -6.803 -10.091 -11.152 1.00 25.00 C ATOM 385 C HIS B 5 -5.323 -10.487 -11.090 1.00 25.00 C ATOM 386 O HIS B 5 -4.975 -11.570 -11.551 1.00 25.00 O ATOM 387 CB HIS B 5 -7.612 -11.108 -10.325 1.00 25.00 C ATOM 388 CG HIS B 5 -8.687 -10.480 -9.491 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.956 -10.204 -9.932 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.671 -10.092 -8.198 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.619 -9.665 -8.932 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.871 -9.535 -7.866 1.00 25.00 N ATOM 0 H HIS B 5 -7.565 -11.029 -12.878 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.031 -9.106 -10.745 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.064 -11.835 -11.000 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -6.932 -11.657 -9.674 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.833 -10.206 -7.526 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.655 -9.366 -8.984 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -10.130 -9.108 -6.977 1.00 25.00 H new ATOM 400 N LEU B 6 -4.433 -9.649 -10.573 1.00 25.00 N ATOM 401 CA LEU B 6 -3.000 -9.997 -10.604 1.00 25.00 C ATOM 402 C LEU B 6 -2.396 -10.161 -9.245 1.00 25.00 C ATOM 403 O LEU B 6 -1.959 -9.203 -8.610 1.00 25.00 O ATOM 404 CB LEU B 6 -2.184 -8.910 -11.399 1.00 25.00 C ATOM 405 CG LEU B 6 -2.533 -8.703 -12.883 1.00 25.00 C ATOM 406 CD1 LEU B 6 -1.606 -7.700 -13.561 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.461 -10.041 -13.609 1.00 25.00 C ATOM 0 H LEU B 6 -4.656 -8.753 -10.140 1.00 25.00 H new ATOM 0 HA LEU B 6 -2.941 -10.963 -11.106 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.309 -7.955 -10.888 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.127 -9.170 -11.335 1.00 25.00 H new ATOM 0 HG LEU B 6 -3.543 -8.297 -12.933 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -1.893 -7.588 -14.607 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -1.683 -6.736 -13.059 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.578 -8.058 -13.503 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -2.708 -9.898 -14.661 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -1.453 -10.447 -13.525 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.171 -10.737 -13.161 1.00 25.00 H new ATOM 419 N CYS B 7 -2.322 -11.419 -8.802 1.00 25.00 N ATOM 420 CA CYS B 7 -1.630 -11.742 -7.529 1.00 25.00 C ATOM 421 C CYS B 7 -0.810 -13.037 -7.751 1.00 25.00 C ATOM 422 O CYS B 7 -1.186 -13.886 -8.513 1.00 25.00 O ATOM 423 CB CYS B 7 -2.657 -11.952 -6.407 1.00 25.00 C ATOM 424 SG CYS B 7 -1.987 -11.540 -4.759 1.00 25.00 S ATOM 0 H CYS B 7 -2.721 -12.223 -9.287 1.00 25.00 H new ATOM 0 HA CYS B 7 -0.973 -10.923 -7.236 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.535 -11.337 -6.603 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -2.988 -12.990 -6.412 1.00 25.00 H new ATOM 429 N GLY B 8 0.317 -13.186 -7.076 1.00 25.00 N ATOM 430 CA GLY B 8 1.157 -14.354 -7.258 1.00 25.00 C ATOM 431 C GLY B 8 1.831 -14.375 -8.605 1.00 25.00 C ATOM 432 O GLY B 8 2.087 -13.316 -9.134 1.00 25.00 O ATOM 0 H GLY B 8 0.670 -12.512 -6.397 1.00 25.00 H new ATOM 0 HA2 GLY B 8 1.915 -14.378 -6.475 1.00 25.00 H new ATOM 0 HA3 GLY B 8 0.553 -15.254 -7.144 1.00 25.00 H new ATOM 436 N SER B 9 2.029 -15.583 -9.191 1.00 25.00 N ATOM 437 CA SER B 9 2.674 -15.695 -10.507 1.00 25.00 C ATOM 438 C SER B 9 1.875 -15.034 -11.713 1.00 25.00 C ATOM 439 O SER B 9 2.437 -14.853 -12.817 1.00 25.00 O ATOM 440 CB SER B 9 2.903 -17.165 -10.825 1.00 25.00 C ATOM 441 OG SER B 9 3.463 -17.825 -9.701 1.00 25.00 O ATOM 0 H SER B 9 1.754 -16.473 -8.776 1.00 25.00 H new ATOM 0 HA SER B 9 3.606 -15.136 -10.422 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.960 -17.637 -11.101 1.00 25.00 H new ATOM 0 HB3 SER B 9 3.570 -17.260 -11.682 1.00 25.00 H new ATOM 0 HG SER B 9 3.605 -18.771 -9.914 1.00 25.00 H new ATOM 447 N HIS B 10 0.627 -14.685 -11.490 1.00 25.00 N ATOM 448 CA HIS B 10 -0.191 -14.033 -12.528 1.00 25.00 C ATOM 449 C HIS B 10 0.412 -12.657 -12.881 1.00 25.00 C ATOM 450 O HIS B 10 0.467 -12.253 -14.031 1.00 25.00 O ATOM 451 CB HIS B 10 -1.684 -13.879 -12.096 1.00 25.00 C ATOM 452 CG HIS B 10 -2.368 -15.159 -11.752 1.00 25.00 C ATOM 453 ND1 HIS B 10 -2.492 -15.620 -10.453 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.994 -16.080 -12.521 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.121 -16.794 -10.488 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.456 -17.123 -11.729 1.00 25.00 N ATOM 0 H HIS B 10 0.143 -14.835 -10.605 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.179 -14.675 -13.409 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.732 -13.214 -11.234 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.234 -13.395 -12.903 1.00 25.00 H new ATOM 0 HD1 HIS B 10 -2.160 -15.144 -9.614 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.116 -16.014 -13.592 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -3.331 -17.400 -9.619 1.00 25.00 H new ATOM 464 N LEU B 11 0.972 -11.990 -11.864 1.00 25.00 N ATOM 465 CA LEU B 11 1.633 -10.714 -12.090 1.00 25.00 C ATOM 466 C LEU B 11 2.896 -10.893 -12.959 1.00 25.00 C ATOM 467 O LEU B 11 3.272 -10.028 -13.754 1.00 25.00 O ATOM 468 CB LEU B 11 2.039 -10.069 -10.752 1.00 25.00 C ATOM 469 CG LEU B 11 2.716 -8.677 -10.697 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.831 -7.530 -11.237 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.070 -8.369 -9.238 1.00 25.00 C ATOM 0 H LEU B 11 0.978 -12.311 -10.896 1.00 25.00 H new ATOM 0 HA LEU B 11 0.926 -10.067 -12.610 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.137 -10.007 -10.144 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.711 -10.768 -10.254 1.00 25.00 H new ATOM 0 HG LEU B 11 3.596 -8.727 -11.338 1.00 25.00 H new ATOM 0 HD11 LEU B 11 2.374 -6.587 -11.166 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.578 -7.725 -12.279 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.916 -7.468 -10.647 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.548 -7.391 -9.178 1.00 25.00 H new ATOM 0 HD22 LEU B 11 2.161 -8.366 -8.636 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.752 -9.131 -8.861 1.00 25.00 H new ATOM 483 N VAL B 12 3.553 -12.020 -12.798 1.00 25.00 N ATOM 484 CA VAL B 12 4.785 -12.289 -13.541 1.00 25.00 C ATOM 485 C VAL B 12 4.400 -12.431 -15.010 1.00 25.00 C ATOM 486 O VAL B 12 5.001 -11.793 -15.871 1.00 25.00 O ATOM 487 CB VAL B 12 5.510 -13.581 -13.048 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.852 -13.751 -13.821 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.812 -13.513 -11.568 1.00 25.00 C ATOM 0 H VAL B 12 3.265 -12.767 -12.166 1.00 25.00 H new ATOM 0 HA VAL B 12 5.486 -11.469 -13.385 1.00 25.00 H new ATOM 0 HB VAL B 12 4.848 -14.427 -13.233 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.358 -14.653 -13.477 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.649 -13.834 -14.889 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.489 -12.885 -13.639 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.317 -14.428 -11.257 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.456 -12.657 -11.367 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.881 -13.405 -11.011 1.00 25.00 H new ATOM 499 N GLU B 13 3.370 -13.200 -15.293 1.00 25.00 N ATOM 500 CA GLU B 13 2.941 -13.448 -16.684 1.00 25.00 C ATOM 501 C GLU B 13 2.418 -12.159 -17.320 1.00 25.00 C ATOM 502 O GLU B 13 2.699 -11.887 -18.484 1.00 25.00 O ATOM 503 CB GLU B 13 1.867 -14.520 -16.687 1.00 25.00 C ATOM 504 CG GLU B 13 2.496 -15.897 -16.635 1.00 25.00 C ATOM 505 CD GLU B 13 3.084 -16.360 -17.953 1.00 25.00 C ATOM 506 OE1 GLU B 13 2.326 -16.778 -18.806 1.00 25.00 O ATOM 507 OE2 GLU B 13 4.302 -16.299 -18.129 1.00 25.00 O ATOM 0 H GLU B 13 2.803 -13.672 -14.588 1.00 25.00 H new ATOM 0 HA GLU B 13 3.793 -13.789 -17.272 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.205 -14.383 -15.832 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.254 -14.427 -17.583 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.281 -15.897 -15.879 1.00 25.00 H new ATOM 0 HG3 GLU B 13 1.743 -16.616 -16.313 1.00 25.00 H new ATOM 514 N ALA B 14 1.714 -11.370 -16.540 1.00 25.00 N ATOM 515 CA ALA B 14 1.196 -10.082 -16.997 1.00 25.00 C ATOM 516 C ALA B 14 2.345 -9.167 -17.416 1.00 25.00 C ATOM 517 O ALA B 14 2.279 -8.588 -18.471 1.00 25.00 O ATOM 518 CB ALA B 14 0.430 -9.465 -15.864 1.00 25.00 C ATOM 0 H ALA B 14 1.480 -11.594 -15.573 1.00 25.00 H new ATOM 0 HA ALA B 14 0.547 -10.223 -17.861 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.031 -8.500 -16.177 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.392 -10.122 -15.580 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.093 -9.323 -15.011 1.00 25.00 H new ATOM 524 N LEU B 15 3.373 -9.058 -16.587 1.00 25.00 N ATOM 525 CA LEU B 15 4.500 -8.186 -16.847 1.00 25.00 C ATOM 526 C LEU B 15 5.280 -8.694 -18.061 1.00 25.00 C ATOM 527 O LEU B 15 5.686 -7.910 -18.898 1.00 25.00 O ATOM 528 CB LEU B 15 5.432 -8.144 -15.602 1.00 25.00 C ATOM 529 CG LEU B 15 4.890 -7.271 -14.459 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.497 -7.552 -13.069 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.176 -5.790 -14.809 1.00 25.00 C ATOM 0 H LEU B 15 3.445 -9.576 -15.712 1.00 25.00 H new ATOM 0 HA LEU B 15 4.133 -7.181 -17.053 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.580 -9.159 -15.234 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.410 -7.769 -15.903 1.00 25.00 H new ATOM 0 HG LEU B 15 3.829 -7.506 -14.381 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.048 -6.884 -12.334 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.299 -8.586 -12.788 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.574 -7.384 -13.101 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.800 -5.149 -14.012 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.251 -5.643 -14.917 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.679 -5.535 -15.745 1.00 25.00 H new ATOM 543 N TYR B 16 5.446 -10.015 -18.154 1.00 25.00 N ATOM 544 CA TYR B 16 6.153 -10.614 -19.294 1.00 25.00 C ATOM 545 C TYR B 16 5.459 -10.219 -20.585 1.00 25.00 C ATOM 546 O TYR B 16 6.120 -9.847 -21.537 1.00 25.00 O ATOM 547 CB TYR B 16 6.218 -12.139 -19.160 1.00 25.00 C ATOM 548 CG TYR B 16 7.174 -12.834 -20.078 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.553 -12.849 -19.807 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.706 -13.465 -21.231 1.00 25.00 C ATOM 551 CE1 TYR B 16 9.466 -13.496 -20.697 1.00 25.00 C ATOM 552 CE2 TYR B 16 7.607 -14.074 -22.133 1.00 25.00 C ATOM 553 CZ TYR B 16 8.981 -14.068 -21.852 1.00 25.00 C ATOM 554 OH TYR B 16 9.827 -14.693 -22.742 1.00 25.00 O ATOM 0 H TYR B 16 5.106 -10.685 -17.464 1.00 25.00 H new ATOM 0 HA TYR B 16 7.177 -10.240 -19.309 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.488 -12.383 -18.133 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.220 -12.543 -19.332 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.927 -12.366 -18.916 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.646 -13.488 -21.436 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.520 -13.536 -20.467 1.00 25.00 H new ATOM 0 HE2 TYR B 16 7.239 -14.542 -23.034 1.00 25.00 H new ATOM 0 HH TYR B 16 9.340 -14.896 -23.568 1.00 25.00 H new ATOM 564 N LEU B 17 4.127 -10.226 -20.598 1.00 25.00 N ATOM 565 CA LEU B 17 3.401 -9.837 -21.796 1.00 25.00 C ATOM 566 C LEU B 17 3.426 -8.331 -22.091 1.00 25.00 C ATOM 567 O LEU B 17 3.510 -7.944 -23.239 1.00 25.00 O ATOM 568 CB LEU B 17 1.950 -10.271 -21.650 1.00 25.00 C ATOM 569 CG LEU B 17 1.673 -11.788 -21.752 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.307 -12.090 -21.238 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.864 -12.287 -23.204 1.00 25.00 C ATOM 0 H LEU B 17 3.541 -10.492 -19.806 1.00 25.00 H new ATOM 0 HA LEU B 17 3.903 -10.328 -22.630 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.584 -9.921 -20.685 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.363 -9.764 -22.416 1.00 25.00 H new ATOM 0 HG LEU B 17 2.393 -12.323 -21.133 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.119 -13.161 -21.313 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.234 -11.781 -20.195 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.432 -11.549 -21.829 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.663 -13.357 -23.250 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.175 -11.760 -23.864 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.889 -12.096 -23.523 1.00 25.00 H new ATOM 583 N VAL B 18 3.232 -7.519 -21.082 1.00 25.00 N ATOM 584 CA VAL B 18 3.042 -6.105 -21.234 1.00 25.00 C ATOM 585 C VAL B 18 4.342 -5.308 -21.359 1.00 25.00 C ATOM 586 O VAL B 18 4.382 -4.376 -22.181 1.00 25.00 O ATOM 587 CB VAL B 18 2.226 -5.542 -20.028 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.112 -4.026 -20.072 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.813 -6.174 -20.014 1.00 25.00 C ATOM 0 H VAL B 18 3.202 -7.833 -20.112 1.00 25.00 H new ATOM 0 HA VAL B 18 2.501 -5.983 -22.172 1.00 25.00 H new ATOM 0 HB VAL B 18 2.762 -5.804 -19.116 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.536 -3.679 -19.214 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.108 -3.585 -20.043 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.609 -3.725 -20.991 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.246 -5.779 -19.171 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.297 -5.932 -20.943 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.899 -7.256 -19.918 1.00 25.00 H new ATOM 599 N CYS B 19 5.373 -5.621 -20.612 1.00 25.00 N ATOM 600 CA CYS B 19 6.620 -4.859 -20.730 1.00 25.00 C ATOM 601 C CYS B 19 7.391 -5.324 -21.986 1.00 25.00 C ATOM 602 O CYS B 19 8.402 -4.703 -22.318 1.00 25.00 O ATOM 603 CB CYS B 19 7.436 -5.075 -19.484 1.00 25.00 C ATOM 604 SG CYS B 19 6.585 -4.376 -18.063 1.00 25.00 S ATOM 0 H CYS B 19 5.389 -6.377 -19.928 1.00 25.00 H new ATOM 0 HA CYS B 19 6.410 -3.795 -20.836 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.604 -6.141 -19.330 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.416 -4.611 -19.596 1.00 25.00 H new ATOM 609 N GLY B 20 6.901 -6.362 -22.657 1.00 25.00 N ATOM 610 CA GLY B 20 7.507 -6.835 -23.897 1.00 25.00 C ATOM 611 C GLY B 20 8.010 -8.240 -23.737 1.00 25.00 C ATOM 612 O GLY B 20 7.464 -9.134 -24.347 1.00 25.00 O ATOM 0 H GLY B 20 6.082 -6.894 -22.361 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.775 -6.795 -24.704 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.330 -6.178 -24.180 1.00 25.00 H new ATOM 616 N GLU B 21 9.048 -8.357 -22.928 1.00 25.00 N ATOM 617 CA GLU B 21 9.634 -9.629 -22.592 1.00 25.00 C ATOM 618 C GLU B 21 10.418 -9.479 -21.272 1.00 25.00 C ATOM 619 O GLU B 21 10.533 -10.406 -20.445 1.00 25.00 O ATOM 620 CB GLU B 21 10.565 -10.089 -23.754 1.00 25.00 C ATOM 621 CG GLU B 21 10.901 -11.568 -23.748 1.00 25.00 C ATOM 622 CD GLU B 21 9.854 -12.399 -24.457 1.00 25.00 C ATOM 623 OE1 GLU B 21 8.670 -12.095 -24.369 1.00 25.00 O ATOM 624 OE2 GLU B 21 10.271 -13.366 -25.113 1.00 25.00 O ATOM 0 H GLU B 21 9.507 -7.561 -22.485 1.00 25.00 H new ATOM 0 HA GLU B 21 8.862 -10.386 -22.456 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.089 -9.842 -24.703 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.493 -9.519 -23.706 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.868 -11.720 -24.227 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.998 -11.912 -22.718 1.00 25.00 H new ATOM 631 N ARG B 22 10.975 -8.289 -21.106 1.00 25.00 N ATOM 632 CA ARG B 22 11.849 -7.994 -19.991 1.00 25.00 C ATOM 633 C ARG B 22 11.510 -6.596 -19.346 1.00 25.00 C ATOM 634 O ARG B 22 10.740 -5.872 -19.938 1.00 25.00 O ATOM 635 CB ARG B 22 13.326 -7.916 -20.474 1.00 25.00 C ATOM 636 CG ARG B 22 13.822 -9.114 -21.188 1.00 25.00 C ATOM 637 CD ARG B 22 15.358 -9.122 -21.247 1.00 25.00 C ATOM 638 NE ARG B 22 15.905 -7.945 -21.970 1.00 25.00 N ATOM 639 CZ ARG B 22 17.170 -7.524 -21.895 1.00 25.00 C ATOM 640 NH1 ARG B 22 18.075 -8.208 -21.238 1.00 25.00 N ATOM 641 NH2 ARG B 22 17.546 -6.406 -22.430 1.00 25.00 N ATOM 0 H ARG B 22 10.831 -7.504 -21.742 1.00 25.00 H new ATOM 0 HA ARG B 22 11.707 -8.791 -19.261 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.431 -7.052 -21.131 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.965 -7.738 -19.609 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.469 -10.014 -20.685 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.415 -9.134 -22.199 1.00 25.00 H new ATOM 0 HD2 ARG B 22 15.757 -9.139 -20.233 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.695 -10.035 -21.738 1.00 25.00 H new ATOM 0 HE ARG B 22 15.267 -7.420 -22.568 1.00 25.00 H new ATOM 0 HH11 ARG B 22 17.818 -9.078 -20.773 1.00 25.00 H new ATOM 0 HH12 ARG B 22 19.036 -7.870 -21.192 1.00 25.00 H new ATOM 0 HH21 ARG B 22 16.869 -5.824 -22.923 1.00 25.00 H new ATOM 0 HH22 ARG B 22 18.519 -6.108 -22.358 1.00 25.00 H new ATOM 655 N GLY B 23 12.193 -6.204 -18.276 1.00 25.00 N ATOM 656 CA GLY B 23 12.034 -4.874 -17.665 1.00 25.00 C ATOM 657 C GLY B 23 11.450 -4.907 -16.259 1.00 25.00 C ATOM 658 O GLY B 23 11.198 -3.866 -15.665 1.00 25.00 O ATOM 0 H GLY B 23 12.876 -6.795 -17.801 1.00 25.00 H new ATOM 0 HA2 GLY B 23 13.006 -4.381 -17.633 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.390 -4.267 -18.301 1.00 25.00 H new ATOM 662 N PHE B 24 11.200 -6.102 -15.698 1.00 25.00 N ATOM 663 CA PHE B 24 10.651 -6.214 -14.368 1.00 25.00 C ATOM 664 C PHE B 24 11.460 -7.195 -13.503 1.00 25.00 C ATOM 665 O PHE B 24 12.282 -7.985 -14.009 1.00 25.00 O ATOM 666 CB PHE B 24 9.187 -6.646 -14.480 1.00 25.00 C ATOM 667 CG PHE B 24 8.999 -8.032 -15.033 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.978 -8.268 -16.434 1.00 25.00 C ATOM 669 CD2 PHE B 24 8.798 -9.157 -14.171 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.805 -9.560 -16.937 1.00 25.00 C ATOM 671 CE2 PHE B 24 8.618 -10.446 -14.685 1.00 25.00 C ATOM 672 CZ PHE B 24 8.646 -10.654 -16.059 1.00 25.00 C ATOM 0 H PHE B 24 11.375 -6.995 -16.158 1.00 25.00 H new ATOM 0 HA PHE B 24 10.709 -5.246 -13.871 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.727 -6.594 -13.493 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.657 -5.937 -15.116 1.00 25.00 H new ATOM 0 HD1 PHE B 24 9.097 -7.440 -17.117 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.785 -9.008 -13.101 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.793 -9.723 -18.005 1.00 25.00 H new ATOM 0 HE2 PHE B 24 8.458 -11.278 -14.015 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.546 -11.654 -16.455 1.00 25.00 H new ATOM 682 N PHE B 25 11.197 -7.179 -12.229 1.00 25.00 N ATOM 683 CA PHE B 25 11.878 -8.076 -11.328 1.00 25.00 C ATOM 684 C PHE B 25 11.211 -9.456 -11.245 1.00 25.00 C ATOM 685 O PHE B 25 10.292 -9.641 -10.504 1.00 25.00 O ATOM 686 CB PHE B 25 12.013 -7.386 -9.958 1.00 25.00 C ATOM 687 CG PHE B 25 13.181 -7.853 -9.130 1.00 25.00 C ATOM 688 CD1 PHE B 25 14.437 -7.216 -9.238 1.00 25.00 C ATOM 689 CD2 PHE B 25 13.020 -8.896 -8.204 1.00 25.00 C ATOM 690 CE1 PHE B 25 15.566 -7.641 -8.461 1.00 25.00 C ATOM 691 CE2 PHE B 25 14.132 -9.318 -7.409 1.00 25.00 C ATOM 692 CZ PHE B 25 15.408 -8.693 -7.535 1.00 25.00 C ATOM 0 H PHE B 25 10.519 -6.559 -11.787 1.00 25.00 H new ATOM 0 HA PHE B 25 12.875 -8.284 -11.716 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.103 -6.311 -10.115 1.00 25.00 H new ATOM 0 HB3 PHE B 25 11.096 -7.549 -9.392 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.550 -6.388 -9.923 1.00 25.00 H new ATOM 0 HD2 PHE B 25 12.060 -9.378 -8.092 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.526 -7.161 -8.584 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.003 -10.124 -6.701 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.241 -9.020 -6.930 1.00 25.00 H new HETATM 702 N NVA B 26 11.673 -10.413 -12.111 1.00 25.00 N HETATM 703 CA NVA B 26 11.155 -11.815 -12.228 1.00 25.00 C HETATM 704 CB NVA B 26 11.777 -12.460 -13.491 1.00 25.00 C HETATM 705 CG NVA B 26 10.976 -13.733 -14.042 1.00 25.00 C HETATM 706 CD NVA B 26 11.913 -14.688 -14.798 1.00 25.00 C HETATM 707 C NVA B 26 11.493 -12.745 -10.985 1.00 25.00 C HETATM 708 O NVA B 26 10.720 -13.589 -10.557 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.507 -14.260 -13.211 1.00 25.00 H new HETATM 0 HG2 NVA B 26 10.175 -13.404 -14.704 1.00 25.00 H new HETATM 0 HD3 NVA B 26 12.361 -14.165 -15.643 1.00 25.00 H new HETATM 0 HB3 NVA B 26 11.830 -11.709 -14.280 1.00 25.00 H new HETATM 0 HB2 NVA B 26 12.801 -12.759 -13.266 1.00 25.00 H new HETATM 0 HA NVA B 26 10.069 -11.740 -12.279 1.00 25.00 H new HETATM 0 H NVA B 26 12.324 -10.050 -12.807 1.00 25.00 H new ATOM 717 N THR B 27 12.772 -12.578 -10.483 1.00 25.00 N ATOM 718 CA THR B 27 13.535 -13.345 -9.455 1.00 25.00 C ATOM 719 C THR B 27 14.085 -14.582 -10.111 1.00 25.00 C ATOM 720 O THR B 27 13.627 -14.970 -11.195 1.00 25.00 O ATOM 721 CB THR B 27 12.723 -13.755 -8.155 1.00 25.00 C ATOM 722 OG1 THR B 27 11.802 -14.806 -8.473 1.00 25.00 O ATOM 723 CG2 THR B 27 11.926 -12.532 -7.613 1.00 25.00 C ATOM 0 H THR B 27 13.345 -11.813 -10.838 1.00 25.00 H new ATOM 0 HA THR B 27 14.314 -12.674 -9.093 1.00 25.00 H new ATOM 0 HB THR B 27 13.427 -14.095 -7.396 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.147 -14.481 -9.125 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.372 -12.825 -6.721 1.00 25.00 H new ATOM 0 HG22 THR B 27 12.619 -11.728 -7.363 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.228 -12.186 -8.375 1.00 25.00 H new ATOM 731 N PRO B 28 15.134 -15.205 -9.520 1.00 25.00 N ATOM 732 CA PRO B 28 15.637 -16.377 -10.251 1.00 25.00 C ATOM 733 C PRO B 28 14.808 -17.654 -10.077 1.00 25.00 C ATOM 734 O PRO B 28 15.160 -18.564 -9.344 1.00 25.00 O ATOM 735 CB PRO B 28 17.040 -16.574 -9.691 1.00 25.00 C ATOM 736 CG PRO B 28 16.933 -16.112 -8.284 1.00 25.00 C ATOM 737 CD PRO B 28 15.925 -14.945 -8.269 1.00 25.00 C ATOM 0 HA PRO B 28 15.596 -16.195 -11.325 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.349 -17.618 -9.746 1.00 25.00 H new ATOM 0 HB3 PRO B 28 17.777 -15.994 -10.247 1.00 25.00 H new ATOM 0 HG2 PRO B 28 16.596 -16.922 -7.637 1.00 25.00 H new ATOM 0 HG3 PRO B 28 17.904 -15.788 -7.909 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.297 -14.959 -7.378 1.00 25.00 H new ATOM 0 HD3 PRO B 28 16.422 -13.975 -8.294 1.00 25.00 H new HETATM 745 N HIX B 29 13.661 -17.755 -10.791 1.00 25.00 N HETATM 746 CA HIX B 29 12.771 -18.967 -10.898 1.00 25.00 C HETATM 747 C HIX B 29 13.538 -20.164 -11.574 1.00 25.00 C HETATM 748 O HIX B 29 13.774 -20.295 -12.780 1.00 25.00 O HETATM 749 CB HIX B 29 11.476 -18.666 -11.673 1.00 25.00 C HETATM 750 CG HIX B 29 11.751 -17.734 -12.890 1.00 25.00 C HETATM 751 CD2 HIX B 29 11.705 -16.436 -12.929 1.00 25.00 C HETATM 752 ND1 HIX B 29 11.985 -18.197 -14.106 1.00 25.00 N HETATM 753 NE1 HIX B 29 12.350 -17.122 -15.018 1.00 25.00 N HETATM 754 NE2 HIX B 29 11.985 -16.025 -14.157 1.00 25.00 N ATOM 762 N THR B 30 14.098 -21.050 -10.658 1.00 25.00 N ATOM 763 CA THR B 30 14.968 -22.190 -10.894 1.00 25.00 C ATOM 764 C THR B 30 14.575 -23.265 -9.876 1.00 25.00 C ATOM 765 O THR B 30 13.864 -22.902 -8.913 1.00 25.00 O ATOM 766 CB THR B 30 16.492 -21.869 -10.711 1.00 25.00 C ATOM 767 OG1 THR B 30 16.695 -21.167 -9.473 1.00 25.00 O ATOM 768 CG2 THR B 30 17.001 -20.974 -11.827 1.00 25.00 C ATOM 769 OXT THR B 30 15.030 -24.427 -10.015 1.00 25.00 O ATOM 0 H THR B 30 13.910 -20.939 -9.662 1.00 25.00 H new ATOM 0 HA THR B 30 14.840 -22.505 -11.930 1.00 25.00 H new ATOM 0 HB THR B 30 17.030 -22.817 -10.721 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.218 -20.311 -9.500 1.00 25.00 H new ATOM 0 HG21 THR B 30 18.060 -20.768 -11.674 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.863 -21.474 -12.786 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.445 -20.036 -11.824 1.00 25.00 H new TER 777 THR B 30