USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 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 Set 1.1: B 4 GLN : amide:sc= 0.602 K(o=1.3,f=-1.2) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.669 K(o=1.3,f=-4!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.00921 X(o=0.018,f=-0.4) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.00907 K(o=0.018,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.247 (180deg=0.184) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 19 TYR OH : rot 11:sc= 0.626 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 1 PHE N :NH3+ -107:sc= 0.114 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.581 K(o=0.58,f=-3.5!) USER MOD Single : B 5 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.141 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 178:sc= 1.06 (180deg=1.06) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.962 -0.521 -1.162 1.00 25.00 N ATOM 2 CA GLY A 1 2.528 0.857 -1.500 1.00 25.00 C ATOM 3 C GLY A 1 1.872 0.914 -2.854 1.00 25.00 C ATOM 4 O GLY A 1 1.918 -0.069 -3.586 1.00 25.00 O ATOM 0 H1 GLY A 1 3.221 -0.566 -0.156 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.185 -1.186 -1.350 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.785 -0.778 -1.743 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.832 1.216 -0.742 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.389 1.525 -1.484 1.00 25.00 H new ATOM 10 N ILE A 2 1.256 2.039 -3.196 1.00 25.00 N ATOM 11 CA ILE A 2 0.512 2.160 -4.454 1.00 25.00 C ATOM 12 C ILE A 2 1.424 2.012 -5.685 1.00 25.00 C ATOM 13 O ILE A 2 1.009 1.476 -6.705 1.00 25.00 O ATOM 14 CB ILE A 2 -0.290 3.513 -4.488 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.344 3.475 -5.612 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.667 4.738 -4.610 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.297 4.687 -5.640 1.00 25.00 C ATOM 0 H ILE A 2 1.254 2.883 -2.623 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.201 1.337 -4.498 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.819 3.632 -3.542 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.831 3.411 -6.571 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.936 2.566 -5.506 1.00 25.00 H new ATOM 0 HG21 ILE A 2 0.081 5.657 -4.631 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.343 4.758 -3.755 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.247 4.657 -5.529 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.004 4.575 -6.462 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.842 4.743 -4.698 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.719 5.601 -5.780 1.00 25.00 H new ATOM 29 N VAL A 3 2.684 2.411 -5.570 1.00 25.00 N ATOM 30 CA VAL A 3 3.612 2.282 -6.694 1.00 25.00 C ATOM 31 C VAL A 3 3.835 0.813 -7.017 1.00 25.00 C ATOM 32 O VAL A 3 3.817 0.426 -8.172 1.00 25.00 O ATOM 33 CB VAL A 3 4.973 2.965 -6.403 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.912 2.840 -7.623 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.755 4.448 -6.059 1.00 25.00 C ATOM 0 H VAL A 3 3.085 2.820 -4.726 1.00 25.00 H new ATOM 0 HA VAL A 3 3.163 2.786 -7.550 1.00 25.00 H new ATOM 0 HB VAL A 3 5.437 2.466 -5.553 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.863 3.325 -7.402 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.084 1.786 -7.843 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.452 3.320 -8.487 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.717 4.920 -5.856 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.275 4.950 -6.899 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.119 4.527 -5.177 1.00 25.00 H new ATOM 45 N GLU A 4 3.995 -0.019 -5.998 1.00 25.00 N ATOM 46 CA GLU A 4 4.181 -1.450 -6.228 1.00 25.00 C ATOM 47 C GLU A 4 2.928 -2.029 -6.849 1.00 25.00 C ATOM 48 O GLU A 4 3.009 -2.823 -7.768 1.00 25.00 O ATOM 49 CB GLU A 4 4.470 -2.197 -4.925 1.00 25.00 C ATOM 50 CG GLU A 4 5.871 -1.974 -4.392 1.00 25.00 C ATOM 51 CD GLU A 4 6.049 -0.618 -3.764 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.171 -0.024 -3.168 1.00 25.00 O ATOM 53 OE2 GLU A 4 7.219 -0.120 -3.942 1.00 25.00 O ATOM 0 H GLU A 4 4.000 0.263 -5.018 1.00 25.00 H new ATOM 0 HA GLU A 4 5.034 -1.571 -6.895 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.749 -1.884 -4.170 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.318 -3.264 -5.087 1.00 25.00 H new ATOM 0 HG2 GLU A 4 6.101 -2.743 -3.655 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.587 -2.089 -5.206 1.00 25.00 H new ATOM 61 N GLN A 5 1.776 -1.605 -6.358 1.00 25.00 N ATOM 62 CA GLN A 5 0.491 -2.094 -6.852 1.00 25.00 C ATOM 63 C GLN A 5 0.346 -1.865 -8.358 1.00 25.00 C ATOM 64 O GLN A 5 -0.149 -2.726 -9.072 1.00 25.00 O ATOM 65 CB GLN A 5 -0.628 -1.375 -6.095 1.00 25.00 C ATOM 66 CG GLN A 5 -2.022 -1.925 -6.319 1.00 25.00 C ATOM 67 CD GLN A 5 -3.050 -1.130 -5.545 1.00 25.00 C ATOM 68 OE1 GLN A 5 -2.835 -0.779 -4.397 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.150 -0.815 -6.173 1.00 25.00 N ATOM 0 H GLN A 5 1.700 -0.916 -5.610 1.00 25.00 H new ATOM 0 HA GLN A 5 0.431 -3.169 -6.681 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.407 -1.416 -5.029 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.620 -0.323 -6.382 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.261 -1.897 -7.382 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.058 -2.970 -6.011 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.296 -1.126 -7.133 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.864 -0.258 -5.703 1.00 25.00 H new ATOM 78 N CYS A 6 0.799 -0.717 -8.839 1.00 25.00 N ATOM 79 CA CYS A 6 0.682 -0.394 -10.261 1.00 25.00 C ATOM 80 C CYS A 6 1.890 -0.837 -11.081 1.00 25.00 C ATOM 81 O CYS A 6 1.848 -0.824 -12.304 1.00 25.00 O ATOM 82 CB CYS A 6 0.453 1.107 -10.422 1.00 25.00 C ATOM 83 SG CYS A 6 -0.959 1.717 -9.434 1.00 25.00 S ATOM 0 H CYS A 6 1.248 0.004 -8.274 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.170 -0.951 -10.650 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.356 1.642 -10.126 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.279 1.333 -11.474 1.00 25.00 H new ATOM 88 N CYS A 7 2.955 -1.246 -10.410 1.00 25.00 N ATOM 89 CA CYS A 7 4.151 -1.721 -11.097 1.00 25.00 C ATOM 90 C CYS A 7 4.099 -3.239 -11.296 1.00 25.00 C ATOM 91 O CYS A 7 4.403 -3.736 -12.371 1.00 25.00 O ATOM 92 CB CYS A 7 5.408 -1.326 -10.313 1.00 25.00 C ATOM 93 SG CYS A 7 6.986 -1.871 -11.056 1.00 25.00 S ATOM 0 H CYS A 7 3.018 -1.260 -9.392 1.00 25.00 H new ATOM 0 HA CYS A 7 4.190 -1.251 -12.080 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.428 -0.241 -10.211 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.335 -1.740 -9.307 1.00 25.00 H new ATOM 98 N THR A 8 3.698 -3.978 -10.270 1.00 25.00 N ATOM 99 CA THR A 8 3.629 -5.441 -10.373 1.00 25.00 C ATOM 100 C THR A 8 2.269 -5.883 -10.922 1.00 25.00 C ATOM 101 O THR A 8 2.147 -6.946 -11.527 1.00 25.00 O ATOM 102 CB THR A 8 3.956 -6.126 -9.007 1.00 25.00 C ATOM 103 OG1 THR A 8 4.281 -7.499 -9.230 1.00 25.00 O ATOM 104 CG2 THR A 8 2.797 -6.068 -8.024 1.00 25.00 C ATOM 0 H THR A 8 3.417 -3.600 -9.365 1.00 25.00 H new ATOM 0 HA THR A 8 4.392 -5.766 -11.080 1.00 25.00 H new ATOM 0 HB THR A 8 4.794 -5.580 -8.574 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.488 -7.929 -8.374 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.084 -6.560 -7.094 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.544 -5.027 -7.821 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.932 -6.575 -8.451 1.00 25.00 H new ATOM 112 N SER A 9 1.266 -5.021 -10.795 1.00 25.00 N ATOM 113 CA SER A 9 -0.053 -5.293 -11.359 1.00 25.00 C ATOM 114 C SER A 9 -0.503 -4.069 -12.151 1.00 25.00 C ATOM 115 O SER A 9 0.300 -3.198 -12.407 1.00 25.00 O ATOM 116 CB SER A 9 -1.058 -5.668 -10.264 1.00 25.00 C ATOM 117 OG SER A 9 -0.609 -6.809 -9.556 1.00 25.00 O ATOM 0 H SER A 9 1.340 -4.128 -10.307 1.00 25.00 H new ATOM 0 HA SER A 9 0.001 -6.151 -12.029 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.186 -4.832 -9.576 1.00 25.00 H new ATOM 0 HB3 SER A 9 -2.033 -5.868 -10.708 1.00 25.00 H new ATOM 0 HG SER A 9 -1.258 -7.038 -8.859 1.00 25.00 H new ATOM 123 N ILE A 10 -1.695 -4.104 -12.725 1.00 25.00 N ATOM 124 CA ILE A 10 -2.059 -3.131 -13.767 1.00 25.00 C ATOM 125 C ILE A 10 -2.435 -1.728 -13.267 1.00 25.00 C ATOM 126 O ILE A 10 -1.948 -0.749 -13.814 1.00 25.00 O ATOM 127 CB ILE A 10 -3.252 -3.678 -14.635 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.892 -5.038 -15.280 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.670 -2.656 -15.725 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.792 -4.987 -16.344 1.00 25.00 C ATOM 0 H ILE A 10 -2.424 -4.781 -12.498 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.145 -3.015 -14.350 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.100 -3.828 -13.967 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.581 -5.724 -14.492 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.792 -5.457 -15.731 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.496 -3.063 -16.308 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -3.984 -1.726 -15.251 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.824 -2.460 -16.383 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.615 -5.990 -16.733 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.103 -4.332 -17.158 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.874 -4.603 -15.900 1.00 25.00 H new ATOM 142 N CYS A 11 -3.346 -1.662 -12.295 1.00 25.00 N ATOM 143 CA CYS A 11 -4.018 -0.411 -11.870 1.00 25.00 C ATOM 144 C CYS A 11 -4.868 0.202 -12.994 1.00 25.00 C ATOM 145 O CYS A 11 -4.365 0.707 -13.992 1.00 25.00 O ATOM 146 CB CYS A 11 -3.043 0.650 -11.344 1.00 25.00 C ATOM 147 SG CYS A 11 -2.410 0.314 -9.676 1.00 25.00 S ATOM 0 H CYS A 11 -3.649 -2.481 -11.768 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.669 -0.711 -11.049 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.201 0.727 -12.032 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.543 1.619 -11.343 1.00 25.00 H new ATOM 152 N SER A 12 -6.178 0.184 -12.809 1.00 25.00 N ATOM 153 CA SER A 12 -7.076 0.827 -13.763 1.00 25.00 C ATOM 154 C SER A 12 -6.913 2.336 -13.599 1.00 25.00 C ATOM 155 O SER A 12 -6.374 2.795 -12.596 1.00 25.00 O ATOM 156 CB SER A 12 -8.522 0.413 -13.492 1.00 25.00 C ATOM 157 OG SER A 12 -8.910 0.792 -12.182 1.00 25.00 O ATOM 0 H SER A 12 -6.642 -0.262 -12.018 1.00 25.00 H new ATOM 0 HA SER A 12 -6.833 0.526 -14.782 1.00 25.00 H new ATOM 0 HB2 SER A 12 -9.183 0.879 -14.223 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.626 -0.666 -13.611 1.00 25.00 H new ATOM 0 HG SER A 12 -9.839 0.521 -12.025 1.00 25.00 H new ATOM 163 N LEU A 13 -7.405 3.113 -14.557 1.00 25.00 N ATOM 164 CA LEU A 13 -7.280 4.573 -14.499 1.00 25.00 C ATOM 165 C LEU A 13 -7.881 5.160 -13.215 1.00 25.00 C ATOM 166 O LEU A 13 -7.430 6.182 -12.729 1.00 25.00 O ATOM 167 CB LEU A 13 -7.910 5.214 -15.745 1.00 25.00 C ATOM 168 CG LEU A 13 -9.442 5.147 -15.887 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.105 6.428 -15.371 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.815 4.930 -17.350 1.00 25.00 C ATOM 0 H LEU A 13 -7.893 2.763 -15.382 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.216 4.808 -14.482 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.617 6.264 -15.767 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.471 4.742 -16.624 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.802 4.312 -15.286 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.186 6.349 -15.485 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.860 6.566 -14.318 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.741 7.282 -15.943 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.900 4.883 -17.446 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.433 5.756 -17.949 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.379 3.995 -17.702 1.00 25.00 H new ATOM 182 N TYR A 14 -8.870 4.486 -12.649 1.00 25.00 N ATOM 183 CA TYR A 14 -9.505 4.940 -11.416 1.00 25.00 C ATOM 184 C TYR A 14 -8.548 4.829 -10.232 1.00 25.00 C ATOM 185 O TYR A 14 -8.505 5.691 -9.372 1.00 25.00 O ATOM 186 CB TYR A 14 -10.750 4.096 -11.158 1.00 25.00 C ATOM 187 CG TYR A 14 -11.612 3.956 -12.392 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.433 5.014 -12.828 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.596 2.762 -13.144 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.226 4.885 -14.004 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.380 2.632 -14.322 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.184 3.696 -14.740 1.00 25.00 C ATOM 193 OH TYR A 14 -13.933 3.565 -15.879 1.00 25.00 O ATOM 0 H TYR A 14 -9.254 3.618 -13.024 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.781 5.989 -11.528 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.451 3.107 -10.812 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.335 4.550 -10.358 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.462 5.934 -12.264 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.980 1.936 -12.820 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.856 5.701 -14.326 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.355 1.715 -14.892 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.785 2.677 -16.267 1.00 25.00 H new ATOM 203 N GLN A 15 -7.746 3.774 -10.221 1.00 25.00 N ATOM 204 CA GLN A 15 -6.741 3.581 -9.175 1.00 25.00 C ATOM 205 C GLN A 15 -5.621 4.594 -9.354 1.00 25.00 C ATOM 206 O GLN A 15 -5.045 5.085 -8.392 1.00 25.00 O ATOM 207 CB GLN A 15 -6.174 2.172 -9.249 1.00 25.00 C ATOM 208 CG GLN A 15 -7.249 1.123 -9.075 1.00 25.00 C ATOM 209 CD GLN A 15 -6.749 -0.075 -8.332 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.898 -0.811 -8.810 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.253 -0.268 -7.147 1.00 25.00 N ATOM 0 H GLN A 15 -7.769 3.035 -10.924 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.208 3.723 -8.201 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.679 2.029 -10.210 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.414 2.045 -8.478 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.094 1.555 -8.539 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.617 0.815 -10.054 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.962 0.370 -6.784 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.939 -1.057 -6.582 1.00 25.00 H new ATOM 220 N LEU A 16 -5.337 4.912 -10.605 1.00 25.00 N ATOM 221 CA LEU A 16 -4.314 5.893 -10.952 1.00 25.00 C ATOM 222 C LEU A 16 -4.710 7.317 -10.533 1.00 25.00 C ATOM 223 O LEU A 16 -3.849 8.110 -10.197 1.00 25.00 O ATOM 224 CB LEU A 16 -3.970 5.807 -12.441 1.00 25.00 C ATOM 225 CG LEU A 16 -3.295 4.487 -12.876 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.147 4.430 -14.389 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.917 4.326 -12.236 1.00 25.00 C ATOM 0 H LEU A 16 -5.807 4.500 -11.411 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.415 5.650 -10.386 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.885 5.938 -13.019 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.311 6.637 -12.695 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.938 3.674 -12.540 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.669 3.492 -14.673 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.131 4.491 -14.853 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.534 5.266 -14.726 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.471 3.387 -12.564 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.277 5.156 -12.536 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -2.018 4.320 -11.151 1.00 25.00 H new ATOM 239 N GLU A 17 -6.000 7.646 -10.550 1.00 25.00 N ATOM 240 CA GLU A 17 -6.467 8.983 -10.125 1.00 25.00 C ATOM 241 C GLU A 17 -5.979 9.348 -8.710 1.00 25.00 C ATOM 242 O GLU A 17 -5.776 10.514 -8.410 1.00 25.00 O ATOM 243 CB GLU A 17 -8.003 9.054 -10.127 1.00 25.00 C ATOM 244 CG GLU A 17 -8.660 9.036 -11.509 1.00 25.00 C ATOM 245 CD GLU A 17 -9.028 10.412 -11.999 1.00 25.00 C ATOM 246 OE1 GLU A 17 -9.743 11.174 -11.403 1.00 25.00 O ATOM 247 OE2 GLU A 17 -8.537 10.694 -13.155 1.00 25.00 O ATOM 0 H GLU A 17 -6.744 7.016 -10.850 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.050 9.690 -10.842 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.389 8.214 -9.549 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.308 9.964 -9.610 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.980 8.571 -12.223 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.556 8.417 -11.472 1.00 25.00 H new ATOM 255 N ASN A 18 -5.754 8.344 -7.870 1.00 25.00 N ATOM 256 CA ASN A 18 -5.259 8.549 -6.499 1.00 25.00 C ATOM 257 C ASN A 18 -3.903 9.264 -6.437 1.00 25.00 C ATOM 258 O ASN A 18 -3.564 9.862 -5.428 1.00 25.00 O ATOM 259 CB ASN A 18 -5.161 7.214 -5.762 1.00 25.00 C ATOM 260 CG ASN A 18 -6.510 6.610 -5.478 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.337 7.199 -4.813 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.740 5.438 -5.990 1.00 25.00 N ATOM 0 H ASN A 18 -5.907 7.365 -8.112 1.00 25.00 H new ATOM 0 HA ASN A 18 -5.986 9.199 -6.013 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.573 6.516 -6.358 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.627 7.360 -4.823 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.640 4.983 -5.838 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.020 4.973 -6.544 1.00 25.00 H new ATOM 269 N TYR A 19 -3.095 9.128 -7.482 1.00 25.00 N ATOM 270 CA TYR A 19 -1.768 9.756 -7.527 1.00 25.00 C ATOM 271 C TYR A 19 -1.860 11.277 -7.720 1.00 25.00 C ATOM 272 O TYR A 19 -0.866 11.988 -7.585 1.00 25.00 O ATOM 273 CB TYR A 19 -0.980 9.201 -8.705 1.00 25.00 C ATOM 274 CG TYR A 19 -0.441 7.802 -8.533 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.251 6.672 -8.767 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.902 7.599 -8.168 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.726 5.366 -8.651 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.430 6.298 -8.050 1.00 25.00 C ATOM 279 CZ TYR A 19 0.614 5.195 -8.303 1.00 25.00 C ATOM 280 OH TYR A 19 1.147 3.940 -8.197 1.00 25.00 O ATOM 0 H TYR A 19 -3.331 8.588 -8.315 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.281 9.539 -6.576 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.621 9.218 -9.587 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.144 9.870 -8.906 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.287 6.807 -9.039 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.537 8.451 -7.976 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.356 4.507 -8.830 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.462 6.155 -7.765 1.00 25.00 H new ATOM 0 HH TYR A 19 0.516 3.285 -8.562 1.00 25.00 H new ATOM 290 N CYS A 20 -3.028 11.774 -8.099 1.00 25.00 N ATOM 291 CA CYS A 20 -3.197 13.200 -8.339 1.00 25.00 C ATOM 292 C CYS A 20 -3.443 13.907 -7.007 1.00 25.00 C ATOM 293 O CYS A 20 -3.957 13.325 -6.063 1.00 25.00 O ATOM 294 CB CYS A 20 -4.362 13.441 -9.300 1.00 25.00 C ATOM 295 SG CYS A 20 -4.199 12.499 -10.854 1.00 25.00 S ATOM 0 H CYS A 20 -3.868 11.215 -8.246 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.293 13.602 -8.796 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.295 13.166 -8.809 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.424 14.505 -9.530 1.00 25.00 H new ATOM 300 N ASN A 21 -3.056 15.183 -6.924 1.00 25.00 N ATOM 301 CA ASN A 21 -3.218 15.956 -5.681 1.00 25.00 C ATOM 302 C ASN A 21 -4.686 16.165 -5.321 1.00 25.00 C ATOM 303 O ASN A 21 -5.507 16.680 -6.051 1.00 25.00 O ATOM 304 CB ASN A 21 -2.495 17.311 -5.754 1.00 25.00 C ATOM 305 CG ASN A 21 -2.541 17.973 -4.408 1.00 25.00 C ATOM 306 OD1 ASN A 21 -2.116 17.470 -3.404 1.00 25.00 O ATOM 307 ND2 ASN A 21 -3.089 19.179 -4.372 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.993 15.768 -4.132 1.00 25.00 O ATOM 0 H ASN A 21 -2.632 15.702 -7.693 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.758 15.362 -4.891 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.460 17.167 -6.066 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.968 17.948 -6.501 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.151 19.685 -3.488 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -3.448 19.602 -5.228 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.406 3.352 -22.696 1.00 25.00 N ATOM 318 CA PHE B 1 -7.213 3.015 -21.869 1.00 25.00 C ATOM 319 C PHE B 1 -6.721 1.625 -22.226 1.00 25.00 C ATOM 320 O PHE B 1 -7.511 0.825 -22.693 1.00 25.00 O ATOM 321 CB PHE B 1 -7.585 3.083 -20.381 1.00 25.00 C ATOM 322 CG PHE B 1 -6.396 3.169 -19.462 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.781 4.412 -19.209 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.881 2.014 -18.841 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.655 4.503 -18.355 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.755 2.094 -17.984 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.139 3.340 -17.747 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.142 4.053 -23.417 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.760 2.492 -23.162 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.151 3.747 -22.087 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.416 3.731 -22.067 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.224 3.950 -20.215 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.170 2.201 -20.121 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.173 5.305 -19.672 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.349 1.057 -19.020 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.192 5.461 -18.170 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.369 1.202 -17.513 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.275 3.403 -17.102 1.00 25.00 H new ATOM 339 N VAL B 2 -5.435 1.346 -22.048 1.00 25.00 N ATOM 340 CA VAL B 2 -4.867 0.037 -22.390 1.00 25.00 C ATOM 341 C VAL B 2 -4.156 -0.505 -21.158 1.00 25.00 C ATOM 342 O VAL B 2 -3.409 0.221 -20.506 1.00 25.00 O ATOM 343 CB VAL B 2 -3.845 0.151 -23.571 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.255 -1.225 -23.929 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.527 0.755 -24.814 1.00 25.00 C ATOM 0 H VAL B 2 -4.759 2.009 -21.667 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.669 -0.630 -22.706 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.035 0.805 -23.247 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.549 -1.115 -24.752 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.740 -1.637 -23.061 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -4.058 -1.899 -24.228 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.804 0.828 -25.626 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.355 0.116 -25.121 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.905 1.749 -24.575 1.00 25.00 H new ATOM 355 N ASN B 3 -4.397 -1.764 -20.831 1.00 25.00 N ATOM 356 CA ASN B 3 -3.749 -2.395 -19.688 1.00 25.00 C ATOM 357 C ASN B 3 -2.280 -2.643 -19.951 1.00 25.00 C ATOM 358 O ASN B 3 -1.908 -3.285 -20.924 1.00 25.00 O ATOM 359 CB ASN B 3 -4.379 -3.753 -19.347 1.00 25.00 C ATOM 360 CG ASN B 3 -4.643 -4.615 -20.574 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.430 -4.259 -21.439 1.00 25.00 O ATOM 362 ND2 ASN B 3 -4.013 -5.756 -20.635 1.00 25.00 N ATOM 0 H ASN B 3 -5.038 -2.372 -21.341 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.880 -1.701 -18.858 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.719 -4.292 -18.667 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.317 -3.589 -18.817 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.170 -6.384 -21.423 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -3.363 -6.020 -19.894 1.00 25.00 H new ATOM 369 N GLN B 4 -1.460 -2.197 -19.022 1.00 25.00 N ATOM 370 CA GLN B 4 -0.041 -2.481 -19.031 1.00 25.00 C ATOM 371 C GLN B 4 0.388 -2.251 -17.598 1.00 25.00 C ATOM 372 O GLN B 4 -0.203 -1.430 -16.906 1.00 25.00 O ATOM 373 CB GLN B 4 0.710 -1.536 -19.989 1.00 25.00 C ATOM 374 CG GLN B 4 0.526 -0.048 -19.680 1.00 25.00 C ATOM 375 CD GLN B 4 1.197 0.846 -20.695 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.326 1.292 -20.505 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.505 1.129 -21.767 1.00 25.00 N ATOM 0 H GLN B 4 -1.762 -1.623 -18.234 1.00 25.00 H new ATOM 0 HA GLN B 4 0.179 -3.490 -19.379 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.773 -1.773 -19.955 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.373 -1.728 -21.008 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.539 0.183 -19.646 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.930 0.166 -18.690 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.430 0.739 -21.888 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.900 1.740 -22.482 1.00 25.00 H new ATOM 386 N HIS B 5 1.392 -2.976 -17.146 1.00 25.00 N ATOM 387 CA HIS B 5 1.995 -2.680 -15.848 1.00 25.00 C ATOM 388 C HIS B 5 2.760 -1.364 -15.989 1.00 25.00 C ATOM 389 O HIS B 5 3.292 -1.069 -17.061 1.00 25.00 O ATOM 390 CB HIS B 5 2.927 -3.806 -15.426 1.00 25.00 C ATOM 391 CG HIS B 5 2.215 -5.097 -15.181 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.119 -5.213 -14.348 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.414 -6.346 -15.653 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.702 -6.475 -14.357 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.476 -7.171 -15.128 1.00 25.00 N ATOM 0 H HIS B 5 1.807 -3.764 -17.644 1.00 25.00 H new ATOM 0 HA HIS B 5 1.228 -2.590 -15.078 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.680 -3.955 -16.199 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.455 -3.512 -14.519 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.195 -6.640 -16.339 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.146 -6.859 -13.809 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.393 -8.171 -15.309 1.00 25.00 H new ATOM 404 N LEU B 6 2.769 -0.561 -14.940 1.00 25.00 N ATOM 405 CA LEU B 6 3.334 0.784 -14.994 1.00 25.00 C ATOM 406 C LEU B 6 4.391 1.014 -13.919 1.00 25.00 C ATOM 407 O LEU B 6 4.076 1.225 -12.752 1.00 25.00 O ATOM 408 CB LEU B 6 2.199 1.788 -14.794 1.00 25.00 C ATOM 409 CG LEU B 6 1.122 1.826 -15.885 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.073 2.620 -15.392 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.667 2.445 -17.169 1.00 25.00 C ATOM 0 H LEU B 6 2.388 -0.817 -14.029 1.00 25.00 H new ATOM 0 HA LEU B 6 3.818 0.910 -15.962 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.714 1.570 -13.843 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.635 2.784 -14.709 1.00 25.00 H new ATOM 0 HG LEU B 6 0.815 0.804 -16.105 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.838 2.646 -16.168 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.480 2.148 -14.498 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.239 3.637 -15.155 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.884 2.460 -17.927 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.999 3.464 -16.969 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.509 1.854 -17.529 1.00 25.00 H new ATOM 423 N CYS B 7 5.650 1.026 -14.331 1.00 25.00 N ATOM 424 CA CYS B 7 6.757 1.255 -13.408 1.00 25.00 C ATOM 425 C CYS B 7 7.569 2.455 -13.874 1.00 25.00 C ATOM 426 O CYS B 7 7.644 2.724 -15.076 1.00 25.00 O ATOM 427 CB CYS B 7 7.666 0.024 -13.369 1.00 25.00 C ATOM 428 SG CYS B 7 6.792 -1.542 -13.055 1.00 25.00 S ATOM 0 H CYS B 7 5.933 0.880 -15.300 1.00 25.00 H new ATOM 0 HA CYS B 7 6.355 1.443 -12.413 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.195 -0.053 -14.319 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.420 0.168 -12.595 1.00 25.00 H new ATOM 433 N GLY B 8 8.202 3.151 -12.938 1.00 25.00 N ATOM 434 CA GLY B 8 9.072 4.262 -13.292 1.00 25.00 C ATOM 435 C GLY B 8 8.388 5.309 -14.150 1.00 25.00 C ATOM 436 O GLY B 8 7.257 5.709 -13.889 1.00 25.00 O ATOM 0 H GLY B 8 8.130 2.967 -11.937 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.438 4.733 -12.380 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.942 3.878 -13.824 1.00 25.00 H new ATOM 440 N SER B 9 9.069 5.728 -15.206 1.00 25.00 N ATOM 441 CA SER B 9 8.555 6.743 -16.115 1.00 25.00 C ATOM 442 C SER B 9 7.233 6.373 -16.781 1.00 25.00 C ATOM 443 O SER B 9 6.436 7.250 -17.074 1.00 25.00 O ATOM 444 CB SER B 9 9.601 7.006 -17.191 1.00 25.00 C ATOM 445 OG SER B 9 10.888 6.673 -16.690 1.00 25.00 O ATOM 0 H SER B 9 9.992 5.375 -15.457 1.00 25.00 H new ATOM 0 HA SER B 9 8.355 7.631 -15.515 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.381 6.415 -18.080 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.575 8.054 -17.490 1.00 25.00 H new ATOM 0 HG SER B 9 11.562 6.840 -17.382 1.00 25.00 H new ATOM 451 N HIS B 10 6.967 5.087 -16.991 1.00 25.00 N ATOM 452 CA HIS B 10 5.703 4.678 -17.619 1.00 25.00 C ATOM 453 C HIS B 10 4.523 5.078 -16.752 1.00 25.00 C ATOM 454 O HIS B 10 3.484 5.478 -17.262 1.00 25.00 O ATOM 455 CB HIS B 10 5.661 3.169 -17.874 1.00 25.00 C ATOM 456 CG HIS B 10 5.946 2.797 -19.294 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.981 2.300 -20.178 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.089 2.848 -20.028 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.551 2.088 -21.357 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.815 2.411 -21.288 1.00 25.00 N ATOM 0 H HIS B 10 7.592 4.320 -16.743 1.00 25.00 H new ATOM 0 HA HIS B 10 5.639 5.190 -18.579 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.387 2.678 -17.225 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.678 2.789 -17.597 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.001 2.129 -19.953 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.053 3.180 -19.671 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.049 1.708 -22.235 1.00 25.00 H new ATOM 469 N LEU B 11 4.693 4.994 -15.443 1.00 25.00 N ATOM 470 CA LEU B 11 3.633 5.367 -14.513 1.00 25.00 C ATOM 471 C LEU B 11 3.366 6.861 -14.615 1.00 25.00 C ATOM 472 O LEU B 11 2.226 7.290 -14.687 1.00 25.00 O ATOM 473 CB LEU B 11 4.045 4.970 -13.089 1.00 25.00 C ATOM 474 CG LEU B 11 3.058 5.204 -11.935 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.681 4.617 -12.197 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.654 4.556 -10.686 1.00 25.00 C ATOM 0 H LEU B 11 5.552 4.672 -14.998 1.00 25.00 H new ATOM 0 HA LEU B 11 2.712 4.841 -14.764 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.291 3.908 -13.102 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.963 5.507 -12.850 1.00 25.00 H new ATOM 0 HG LEU B 11 2.917 6.278 -11.817 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.032 4.817 -11.344 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.256 5.072 -13.091 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.766 3.540 -12.344 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.979 4.702 -9.843 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.791 3.489 -10.860 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.617 5.014 -10.463 1.00 25.00 H new ATOM 488 N VAL B 12 4.432 7.642 -14.694 1.00 25.00 N ATOM 489 CA VAL B 12 4.316 9.095 -14.823 1.00 25.00 C ATOM 490 C VAL B 12 3.639 9.466 -16.146 1.00 25.00 C ATOM 491 O VAL B 12 2.755 10.313 -16.188 1.00 25.00 O ATOM 492 CB VAL B 12 5.724 9.755 -14.755 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.627 11.273 -14.842 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.429 9.350 -13.453 1.00 25.00 C ATOM 0 H VAL B 12 5.392 7.297 -14.671 1.00 25.00 H new ATOM 0 HA VAL B 12 3.705 9.463 -13.998 1.00 25.00 H new ATOM 0 HB VAL B 12 6.305 9.403 -15.608 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.627 11.705 -14.792 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.157 11.554 -15.784 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.028 11.647 -14.012 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.414 9.816 -13.412 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.836 9.680 -12.600 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.539 8.266 -13.421 1.00 25.00 H new ATOM 504 N GLU B 13 4.028 8.797 -17.222 1.00 25.00 N ATOM 505 CA GLU B 13 3.461 9.065 -18.543 1.00 25.00 C ATOM 506 C GLU B 13 1.972 8.741 -18.571 1.00 25.00 C ATOM 507 O GLU B 13 1.193 9.416 -19.236 1.00 25.00 O ATOM 508 CB GLU B 13 4.173 8.226 -19.606 1.00 25.00 C ATOM 509 CG GLU B 13 5.599 8.685 -19.911 1.00 25.00 C ATOM 510 CD GLU B 13 6.361 7.684 -20.735 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.638 6.573 -20.352 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.690 8.124 -21.908 1.00 25.00 O ATOM 0 H GLU B 13 4.735 8.062 -17.210 1.00 25.00 H new ATOM 0 HA GLU B 13 3.600 10.125 -18.756 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.200 7.187 -19.276 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.589 8.253 -20.526 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.566 9.637 -20.441 1.00 25.00 H new ATOM 0 HG3 GLU B 13 6.129 8.860 -18.975 1.00 25.00 H new ATOM 520 N ALA B 14 1.578 7.710 -17.839 1.00 25.00 N ATOM 521 CA ALA B 14 0.184 7.300 -17.812 1.00 25.00 C ATOM 522 C ALA B 14 -0.646 8.329 -17.054 1.00 25.00 C ATOM 523 O ALA B 14 -1.774 8.622 -17.429 1.00 25.00 O ATOM 524 CB ALA B 14 0.060 5.933 -17.156 1.00 25.00 C ATOM 0 H ALA B 14 2.200 7.146 -17.260 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.190 7.234 -18.834 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.987 5.631 -17.139 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.638 5.204 -17.723 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.440 5.983 -16.136 1.00 25.00 H new ATOM 530 N LEU B 15 -0.084 8.870 -15.985 1.00 25.00 N ATOM 531 CA LEU B 15 -0.802 9.814 -15.134 1.00 25.00 C ATOM 532 C LEU B 15 -1.176 11.108 -15.847 1.00 25.00 C ATOM 533 O LEU B 15 -2.218 11.694 -15.544 1.00 25.00 O ATOM 534 CB LEU B 15 0.027 10.118 -13.886 1.00 25.00 C ATOM 535 CG LEU B 15 0.065 8.988 -12.846 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.107 9.270 -11.770 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.301 8.817 -12.224 1.00 25.00 C ATOM 0 H LEU B 15 0.870 8.673 -15.683 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.741 9.336 -14.855 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.048 10.345 -14.192 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.371 11.015 -13.412 1.00 25.00 H new ATOM 0 HG LEU B 15 0.346 8.064 -13.351 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.113 8.455 -11.047 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.092 9.354 -12.230 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.863 10.203 -11.263 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.267 8.014 -11.487 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.597 9.745 -11.736 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.025 8.568 -12.999 1.00 25.00 H new ATOM 549 N TYR B 16 -0.399 11.502 -16.849 1.00 25.00 N ATOM 550 CA TYR B 16 -0.759 12.666 -17.664 1.00 25.00 C ATOM 551 C TYR B 16 -2.099 12.427 -18.345 1.00 25.00 C ATOM 552 O TYR B 16 -2.944 13.307 -18.390 1.00 25.00 O ATOM 553 CB TYR B 16 0.295 12.936 -18.746 1.00 25.00 C ATOM 554 CG TYR B 16 1.532 13.639 -18.237 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.521 15.027 -17.989 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.723 12.927 -18.008 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.683 15.691 -17.509 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.889 13.589 -17.541 1.00 25.00 C ATOM 559 CZ TYR B 16 3.855 14.961 -17.291 1.00 25.00 C ATOM 560 OH TYR B 16 4.982 15.589 -16.828 1.00 25.00 O ATOM 0 H TYR B 16 0.472 11.044 -17.117 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.817 13.529 -17.000 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.588 11.988 -19.198 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.155 13.539 -19.534 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.618 15.593 -18.166 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.751 11.863 -18.190 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.660 16.753 -17.314 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.800 13.032 -17.380 1.00 25.00 H new ATOM 0 HH TYR B 16 5.705 14.934 -16.731 1.00 25.00 H new ATOM 570 N LEU B 17 -2.300 11.226 -18.864 1.00 25.00 N ATOM 571 CA LEU B 17 -3.560 10.889 -19.522 1.00 25.00 C ATOM 572 C LEU B 17 -4.697 10.740 -18.522 1.00 25.00 C ATOM 573 O LEU B 17 -5.833 11.099 -18.802 1.00 25.00 O ATOM 574 CB LEU B 17 -3.429 9.573 -20.279 1.00 25.00 C ATOM 575 CG LEU B 17 -2.353 9.488 -21.373 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.254 8.042 -21.865 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.663 10.420 -22.546 1.00 25.00 C ATOM 0 H LEU B 17 -1.615 10.471 -18.845 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.785 11.707 -20.206 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.233 8.785 -19.552 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.393 9.351 -20.737 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.402 9.806 -20.946 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.492 7.973 -22.642 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.983 7.392 -21.033 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.216 7.729 -22.271 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.879 10.331 -23.298 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.621 10.145 -22.986 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.709 11.449 -22.190 1.00 25.00 H new ATOM 589 N VAL B 18 -4.390 10.144 -17.381 1.00 25.00 N ATOM 590 CA VAL B 18 -5.404 9.828 -16.373 1.00 25.00 C ATOM 591 C VAL B 18 -6.021 11.087 -15.798 1.00 25.00 C ATOM 592 O VAL B 18 -7.242 11.187 -15.679 1.00 25.00 O ATOM 593 CB VAL B 18 -4.785 8.997 -15.217 1.00 25.00 C ATOM 594 CG1 VAL B 18 -5.761 8.838 -14.049 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.373 7.625 -15.729 1.00 25.00 C ATOM 0 H VAL B 18 -3.443 9.866 -17.124 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.182 9.247 -16.868 1.00 25.00 H new ATOM 0 HB VAL B 18 -3.910 9.535 -14.853 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.291 8.251 -13.260 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.027 9.821 -13.660 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -6.661 8.329 -14.394 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -3.939 7.047 -14.913 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.248 7.104 -16.118 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -3.636 7.740 -16.524 1.00 25.00 H new ATOM 605 N CYS B 19 -5.188 12.039 -15.411 1.00 25.00 N ATOM 606 CA CYS B 19 -5.703 13.252 -14.789 1.00 25.00 C ATOM 607 C CYS B 19 -5.892 14.389 -15.785 1.00 25.00 C ATOM 608 O CYS B 19 -6.570 15.378 -15.480 1.00 25.00 O ATOM 609 CB CYS B 19 -4.830 13.671 -13.606 1.00 25.00 C ATOM 610 SG CYS B 19 -5.661 13.254 -12.036 1.00 25.00 S ATOM 0 H CYS B 19 -4.174 12.001 -15.512 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.697 13.018 -14.408 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.864 13.168 -13.660 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.634 14.742 -13.650 1.00 25.00 H new ATOM 615 N GLY B 20 -5.357 14.239 -16.988 1.00 25.00 N ATOM 616 CA GLY B 20 -5.522 15.268 -17.996 1.00 25.00 C ATOM 617 C GLY B 20 -4.864 16.573 -17.588 1.00 25.00 C ATOM 618 O GLY B 20 -3.842 16.597 -16.902 1.00 25.00 O ATOM 0 H GLY B 20 -4.814 13.428 -17.284 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -5.094 14.925 -18.938 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.584 15.437 -18.171 1.00 25.00 H new ATOM 622 N GLU B 21 -5.486 17.673 -17.986 1.00 25.00 N ATOM 623 CA GLU B 21 -4.974 19.019 -17.720 1.00 25.00 C ATOM 624 C GLU B 21 -4.966 19.398 -16.233 1.00 25.00 C ATOM 625 O GLU B 21 -4.395 20.414 -15.863 1.00 25.00 O ATOM 626 CB GLU B 21 -5.812 20.057 -18.487 1.00 25.00 C ATOM 627 CG GLU B 21 -5.825 19.868 -20.012 1.00 25.00 C ATOM 628 CD GLU B 21 -7.024 19.090 -20.492 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.465 18.115 -19.938 1.00 25.00 O ATOM 630 OE2 GLU B 21 -7.552 19.572 -21.559 1.00 25.00 O ATOM 0 H GLU B 21 -6.364 17.662 -18.505 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.937 19.016 -18.057 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.838 20.019 -18.121 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.430 21.052 -18.261 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.814 20.845 -20.495 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.915 19.351 -20.318 1.00 25.00 H new ATOM 638 N ARG B 22 -5.585 18.584 -15.381 1.00 25.00 N ATOM 639 CA ARG B 22 -5.591 18.851 -13.935 1.00 25.00 C ATOM 640 C ARG B 22 -4.202 18.663 -13.341 1.00 25.00 C ATOM 641 O ARG B 22 -3.880 19.241 -12.310 1.00 25.00 O ATOM 642 CB ARG B 22 -6.556 17.906 -13.215 1.00 25.00 C ATOM 643 CG ARG B 22 -8.022 18.128 -13.570 1.00 25.00 C ATOM 644 CD ARG B 22 -8.905 17.092 -12.883 1.00 25.00 C ATOM 645 NE ARG B 22 -8.738 15.761 -13.488 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.236 14.626 -13.005 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.919 14.571 -11.889 1.00 25.00 N ATOM 648 NH2 ARG B 22 -9.040 13.524 -13.660 1.00 25.00 N ATOM 0 H ARG B 22 -6.086 17.740 -15.658 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.911 19.884 -13.798 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.287 16.877 -13.454 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.431 18.026 -12.139 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.327 19.130 -13.269 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.153 18.066 -14.650 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.657 17.045 -11.823 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.949 17.397 -12.953 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.195 15.704 -14.350 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.088 15.422 -11.352 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.282 13.678 -11.557 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.511 13.536 -14.532 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.415 12.645 -13.303 1.00 25.00 H new ATOM 662 N GLY B 23 -3.392 17.841 -13.989 1.00 25.00 N ATOM 663 CA GLY B 23 -2.062 17.555 -13.485 1.00 25.00 C ATOM 664 C GLY B 23 -2.085 16.544 -12.355 1.00 25.00 C ATOM 665 O GLY B 23 -3.138 16.040 -11.968 1.00 25.00 O ATOM 0 H GLY B 23 -3.631 17.364 -14.858 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.441 17.176 -14.297 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.601 18.479 -13.135 1.00 25.00 H new ATOM 669 N PHE B 24 -0.905 16.222 -11.852 1.00 25.00 N ATOM 670 CA PHE B 24 -0.722 15.229 -10.797 1.00 25.00 C ATOM 671 C PHE B 24 0.671 15.501 -10.256 1.00 25.00 C ATOM 672 O PHE B 24 1.366 16.366 -10.790 1.00 25.00 O ATOM 673 CB PHE B 24 -0.802 13.808 -11.366 1.00 25.00 C ATOM 674 CG PHE B 24 0.276 13.500 -12.355 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.141 13.885 -13.698 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.439 12.824 -11.953 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.161 13.612 -14.629 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.464 12.537 -12.876 1.00 25.00 C ATOM 679 CZ PHE B 24 2.324 12.938 -14.221 1.00 25.00 C ATOM 0 H PHE B 24 -0.033 16.647 -12.167 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.492 15.300 -10.029 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.746 13.093 -10.545 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.772 13.670 -11.843 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.754 14.396 -14.020 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.549 12.520 -10.923 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.049 13.921 -15.658 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.352 12.013 -12.555 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.107 12.728 -14.934 1.00 25.00 H new ATOM 689 N PHE B 25 1.109 14.743 -9.261 1.00 25.00 N ATOM 690 CA PHE B 25 2.476 14.858 -8.765 1.00 25.00 C ATOM 691 C PHE B 25 3.029 13.448 -8.622 1.00 25.00 C ATOM 692 O PHE B 25 2.268 12.485 -8.573 1.00 25.00 O ATOM 693 CB PHE B 25 2.516 15.598 -7.423 1.00 25.00 C ATOM 694 CG PHE B 25 1.954 14.803 -6.274 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.564 14.731 -6.059 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.817 14.118 -5.396 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.035 13.973 -4.987 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.299 13.356 -4.320 1.00 25.00 C ATOM 699 CZ PHE B 25 0.904 13.285 -4.118 1.00 25.00 C ATOM 0 H PHE B 25 0.541 14.044 -8.782 1.00 25.00 H new ATOM 0 HA PHE B 25 3.082 15.437 -9.462 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.548 15.866 -7.197 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.958 16.530 -7.516 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.106 15.260 -6.720 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.885 14.174 -5.545 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.033 13.922 -4.836 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.970 12.831 -3.656 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.504 12.705 -3.300 1.00 25.00 H new ATOM 709 N TYR B 26 4.343 13.318 -8.575 1.00 25.00 N ATOM 710 CA TYR B 26 4.969 12.012 -8.425 1.00 25.00 C ATOM 711 C TYR B 26 6.309 12.196 -7.735 1.00 25.00 C ATOM 712 O TYR B 26 6.960 13.220 -7.911 1.00 25.00 O ATOM 713 CB TYR B 26 5.162 11.350 -9.792 1.00 25.00 C ATOM 714 CG TYR B 26 5.590 9.905 -9.682 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.662 8.909 -9.318 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.926 9.523 -9.925 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.064 7.554 -9.184 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.326 8.164 -9.805 1.00 25.00 C ATOM 719 CZ TYR B 26 6.394 7.196 -9.430 1.00 25.00 C ATOM 720 OH TYR B 26 6.785 5.888 -9.302 1.00 25.00 O ATOM 0 H TYR B 26 4.998 14.098 -8.638 1.00 25.00 H new ATOM 0 HA TYR B 26 4.329 11.364 -7.826 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.230 11.407 -10.354 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.910 11.905 -10.358 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.632 9.180 -9.139 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.653 10.271 -10.205 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.345 6.802 -8.893 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.349 7.882 -10.004 1.00 25.00 H new ATOM 0 HH TYR B 26 7.740 5.810 -9.510 1.00 25.00 H new ATOM 730 N THR B 27 6.715 11.203 -6.958 1.00 25.00 N ATOM 731 CA THR B 27 7.986 11.242 -6.227 1.00 25.00 C ATOM 732 C THR B 27 8.871 10.062 -6.688 1.00 25.00 C ATOM 733 O THR B 27 8.763 8.931 -6.203 1.00 25.00 O ATOM 734 CB THR B 27 7.744 11.229 -4.698 1.00 25.00 C ATOM 735 OG1 THR B 27 8.926 10.807 -4.012 1.00 25.00 O ATOM 736 CG2 THR B 27 6.601 10.307 -4.343 1.00 25.00 C ATOM 0 H THR B 27 6.179 10.347 -6.812 1.00 25.00 H new ATOM 0 HA THR B 27 8.510 12.172 -6.449 1.00 25.00 H new ATOM 0 HB THR B 27 7.488 12.243 -4.389 1.00 25.00 H new ATOM 0 HG1 THR B 27 8.760 10.805 -3.046 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.450 10.314 -3.264 1.00 25.00 H new ATOM 0 HG22 THR B 27 5.692 10.647 -4.839 1.00 25.00 H new ATOM 0 HG23 THR B 27 6.836 9.294 -4.670 1.00 25.00 H new ATOM 744 N PRO B 28 9.700 10.293 -7.714 1.00 25.00 N ATOM 745 CA PRO B 28 10.557 9.223 -8.228 1.00 25.00 C ATOM 746 C PRO B 28 11.791 9.009 -7.357 1.00 25.00 C ATOM 747 O PRO B 28 12.288 9.932 -6.715 1.00 25.00 O ATOM 748 CB PRO B 28 10.937 9.738 -9.617 1.00 25.00 C ATOM 749 CG PRO B 28 10.980 11.205 -9.453 1.00 25.00 C ATOM 750 CD PRO B 28 9.869 11.539 -8.478 1.00 25.00 C ATOM 0 HA PRO B 28 10.063 8.252 -8.242 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.901 9.344 -9.939 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.204 9.441 -10.367 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.948 11.528 -9.070 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.830 11.711 -10.407 1.00 25.00 H new ATOM 0 HD2 PRO B 28 10.140 12.373 -7.831 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.952 11.821 -8.995 1.00 25.00 H new ATOM 758 N LYS B 29 12.307 7.788 -7.356 1.00 25.00 N ATOM 759 CA LYS B 29 13.514 7.472 -6.587 1.00 25.00 C ATOM 760 C LYS B 29 14.753 7.779 -7.424 1.00 25.00 C ATOM 761 O LYS B 29 15.308 6.917 -8.104 1.00 25.00 O ATOM 762 CB LYS B 29 13.513 6.004 -6.120 1.00 25.00 C ATOM 763 CG LYS B 29 13.102 4.966 -7.187 1.00 25.00 C ATOM 764 CD LYS B 29 13.732 3.593 -6.908 1.00 25.00 C ATOM 765 CE LYS B 29 14.961 3.319 -7.804 1.00 25.00 C ATOM 766 NZ LYS B 29 16.137 4.229 -7.529 1.00 25.00 N ATOM 0 H LYS B 29 11.916 7.001 -7.874 1.00 25.00 H new ATOM 0 HA LYS B 29 13.528 8.095 -5.693 1.00 25.00 H new ATOM 0 HB2 LYS B 29 14.512 5.755 -5.762 1.00 25.00 H new ATOM 0 HB3 LYS B 29 12.837 5.912 -5.270 1.00 25.00 H new ATOM 0 HG2 LYS B 29 12.016 4.872 -7.206 1.00 25.00 H new ATOM 0 HG3 LYS B 29 13.409 5.315 -8.173 1.00 25.00 H new ATOM 0 HD2 LYS B 29 14.029 3.538 -5.861 1.00 25.00 H new ATOM 0 HD3 LYS B 29 12.987 2.814 -7.069 1.00 25.00 H new ATOM 0 HE2 LYS B 29 15.275 2.284 -7.666 1.00 25.00 H new ATOM 0 HE3 LYS B 29 14.668 3.427 -8.848 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 16.933 3.963 -8.144 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 15.866 5.215 -7.721 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 16.423 4.136 -6.533 1.00 25.00 H new ATOM 780 N THR B 30 15.177 9.027 -7.391 1.00 25.00 N ATOM 781 CA THR B 30 16.338 9.477 -8.161 1.00 25.00 C ATOM 782 C THR B 30 17.661 8.942 -7.621 1.00 25.00 C ATOM 783 O THR B 30 18.539 8.500 -8.321 1.00 25.00 O ATOM 784 CB THR B 30 16.356 11.009 -8.234 1.00 25.00 C ATOM 785 OG1 THR B 30 16.156 11.515 -6.921 1.00 25.00 O ATOM 786 CG2 THR B 30 15.186 11.517 -9.095 1.00 25.00 C ATOM 787 OXT THR B 30 17.769 8.937 -6.331 1.00 25.00 O ATOM 0 H THR B 30 14.735 9.760 -6.836 1.00 25.00 H new ATOM 0 HA THR B 30 16.235 9.066 -9.165 1.00 25.00 H new ATOM 0 HB THR B 30 17.304 11.334 -8.662 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.165 12.495 -6.943 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.212 12.606 -9.138 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.274 11.112 -10.103 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.243 11.193 -8.655 1.00 25.00 H new TER 796 THR B 30