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 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 29 LYS NZ :NH3+ 171:sc= 0.182 (180deg=0.0765) USER MOD Set 2.1: B 4 GLN : amide:sc= 0.697 K(o=1.5,f=-1.5) USER MOD Set 2.2: B 10 HIS : no HE2:sc= 0.793 K(o=1.5,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.256 (180deg=0.24) USER MOD Single : A 5 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.1) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.0245 USER MOD Single : A 9 SER OG : rot 180:sc= 0.185 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.16) USER MOD Single : A 18 ASN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 19 TYR OH : rot 24:sc= 0.561 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0751 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.3!) USER MOD Single : B 5 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-7.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.154 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 30 THR OG1 : rot 180:sc= 0.0579 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.871 -0.754 -1.071 1.00 25.00 N ATOM 2 CA GLY A 1 2.608 0.686 -1.406 1.00 25.00 C ATOM 3 C GLY A 1 1.926 0.833 -2.746 1.00 25.00 C ATOM 4 O GLY A 1 1.892 -0.124 -3.498 1.00 25.00 O ATOM 0 H1 GLY A 1 3.198 -0.827 -0.086 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.995 -1.303 -1.187 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.602 -1.131 -1.707 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.986 1.132 -0.630 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.549 1.235 -1.415 1.00 25.00 H new ATOM 10 N ILE A 2 1.376 2.001 -3.060 1.00 25.00 N ATOM 11 CA ILE A 2 0.628 2.179 -4.316 1.00 25.00 C ATOM 12 C ILE A 2 1.519 2.047 -5.565 1.00 25.00 C ATOM 13 O ILE A 2 1.115 1.453 -6.559 1.00 25.00 O ATOM 14 CB ILE A 2 -0.162 3.537 -4.306 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.193 3.542 -5.449 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.797 4.767 -4.368 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.153 4.735 -5.438 1.00 25.00 C ATOM 0 H ILE A 2 1.428 2.835 -2.475 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.094 1.365 -4.376 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.698 3.625 -3.361 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.661 3.530 -6.400 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.776 2.623 -5.398 1.00 25.00 H new ATOM 0 HG21 ILE A 2 0.211 5.686 -4.359 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.463 4.753 -3.505 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.388 4.722 -5.283 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.843 4.655 -6.278 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.717 4.740 -4.505 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.584 5.661 -5.523 1.00 25.00 H new ATOM 29 N VAL A 3 2.755 2.525 -5.488 1.00 25.00 N ATOM 30 CA VAL A 3 3.680 2.426 -6.621 1.00 25.00 C ATOM 31 C VAL A 3 4.008 0.966 -6.875 1.00 25.00 C ATOM 32 O VAL A 3 4.030 0.508 -8.004 1.00 25.00 O ATOM 33 CB VAL A 3 4.985 3.223 -6.351 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.931 3.147 -7.559 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.648 4.691 -6.038 1.00 25.00 C ATOM 0 H VAL A 3 3.142 2.982 -4.662 1.00 25.00 H new ATOM 0 HA VAL A 3 3.200 2.856 -7.500 1.00 25.00 H new ATOM 0 HB VAL A 3 5.488 2.779 -5.492 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.838 3.713 -7.347 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.189 2.106 -7.754 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.437 3.568 -8.435 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.569 5.243 -5.850 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.126 5.133 -6.887 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.010 4.738 -5.155 1.00 25.00 H new ATOM 45 N GLU A 4 4.202 0.225 -5.796 1.00 25.00 N ATOM 46 CA GLU A 4 4.503 -1.198 -5.878 1.00 25.00 C ATOM 47 C GLU A 4 3.392 -1.941 -6.612 1.00 25.00 C ATOM 48 O GLU A 4 3.670 -2.783 -7.452 1.00 25.00 O ATOM 49 CB GLU A 4 4.649 -1.749 -4.460 1.00 25.00 C ATOM 50 CG GLU A 4 5.072 -3.203 -4.341 1.00 25.00 C ATOM 51 CD GLU A 4 4.995 -3.689 -2.922 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.546 -3.011 -2.015 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.432 -4.893 -2.755 1.00 25.00 O ATOM 0 H GLU A 4 4.156 0.588 -4.844 1.00 25.00 H new ATOM 0 HA GLU A 4 5.430 -1.340 -6.433 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.378 -1.137 -3.929 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.695 -1.627 -3.946 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.433 -3.821 -4.972 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.091 -3.317 -4.710 1.00 25.00 H new ATOM 61 N GLN A 5 2.141 -1.609 -6.316 1.00 25.00 N ATOM 62 CA GLN A 5 1.013 -2.265 -6.972 1.00 25.00 C ATOM 63 C GLN A 5 0.995 -1.979 -8.467 1.00 25.00 C ATOM 64 O GLN A 5 0.735 -2.869 -9.258 1.00 25.00 O ATOM 65 CB GLN A 5 -0.320 -1.820 -6.357 1.00 25.00 C ATOM 66 CG GLN A 5 -0.553 -2.309 -4.921 1.00 25.00 C ATOM 67 CD GLN A 5 -0.676 -3.826 -4.818 1.00 25.00 C ATOM 68 OE1 GLN A 5 -0.857 -4.518 -5.802 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.565 -4.338 -3.620 1.00 25.00 N ATOM 0 H GLN A 5 1.882 -0.897 -5.633 1.00 25.00 H new ATOM 0 HA GLN A 5 1.138 -3.337 -6.819 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.365 -0.731 -6.368 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.134 -2.180 -6.986 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.271 -1.974 -4.291 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.461 -1.849 -4.530 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.414 -3.728 -2.817 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.630 -5.347 -3.489 1.00 25.00 H new ATOM 78 N CYS A 6 1.303 -0.755 -8.865 1.00 25.00 N ATOM 79 CA CYS A 6 1.301 -0.424 -10.288 1.00 25.00 C ATOM 80 C CYS A 6 2.498 -1.037 -11.005 1.00 25.00 C ATOM 81 O CYS A 6 2.406 -1.403 -12.171 1.00 25.00 O ATOM 82 CB CYS A 6 1.288 1.092 -10.491 1.00 25.00 C ATOM 83 SG CYS A 6 -0.175 1.930 -9.785 1.00 25.00 S ATOM 0 H CYS A 6 1.553 0.013 -8.242 1.00 25.00 H new ATOM 0 HA CYS A 6 0.394 -0.846 -10.720 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.187 1.515 -10.042 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.334 1.305 -11.559 1.00 25.00 H new ATOM 88 N CYS A 7 3.613 -1.169 -10.307 1.00 25.00 N ATOM 89 CA CYS A 7 4.798 -1.773 -10.896 1.00 25.00 C ATOM 90 C CYS A 7 4.622 -3.284 -11.082 1.00 25.00 C ATOM 91 O CYS A 7 4.985 -3.825 -12.120 1.00 25.00 O ATOM 92 CB CYS A 7 6.026 -1.504 -10.020 1.00 25.00 C ATOM 93 SG CYS A 7 6.524 0.251 -10.003 1.00 25.00 S ATOM 0 H CYS A 7 3.724 -0.869 -9.338 1.00 25.00 H new ATOM 0 HA CYS A 7 4.945 -1.320 -11.876 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.814 -1.825 -9.000 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.859 -2.108 -10.378 1.00 25.00 H new ATOM 98 N THR A 8 4.101 -3.967 -10.069 1.00 25.00 N ATOM 99 CA THR A 8 3.977 -5.430 -10.119 1.00 25.00 C ATOM 100 C THR A 8 2.675 -5.926 -10.751 1.00 25.00 C ATOM 101 O THR A 8 2.598 -7.070 -11.196 1.00 25.00 O ATOM 102 CB THR A 8 4.139 -6.060 -8.701 1.00 25.00 C ATOM 103 OG1 THR A 8 4.480 -7.440 -8.831 1.00 25.00 O ATOM 104 CG2 THR A 8 2.864 -5.964 -7.867 1.00 25.00 C ATOM 0 H THR A 8 3.759 -3.541 -9.208 1.00 25.00 H new ATOM 0 HA THR A 8 4.789 -5.758 -10.768 1.00 25.00 H new ATOM 0 HB THR A 8 4.924 -5.500 -8.193 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.970 -7.835 -9.569 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.033 -6.418 -6.890 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.591 -4.917 -7.738 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.056 -6.489 -8.376 1.00 25.00 H new ATOM 112 N SER A 9 1.645 -5.090 -10.776 1.00 25.00 N ATOM 113 CA SER A 9 0.337 -5.501 -11.279 1.00 25.00 C ATOM 114 C SER A 9 -0.296 -4.377 -12.096 1.00 25.00 C ATOM 115 O SER A 9 0.389 -3.448 -12.500 1.00 25.00 O ATOM 116 CB SER A 9 -0.573 -5.921 -10.118 1.00 25.00 C ATOM 117 OG SER A 9 -1.691 -6.659 -10.589 1.00 25.00 O ATOM 0 H SER A 9 1.688 -4.123 -10.454 1.00 25.00 H new ATOM 0 HA SER A 9 0.467 -6.362 -11.935 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.007 -6.524 -9.408 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.916 -5.036 -9.582 1.00 25.00 H new ATOM 0 HG SER A 9 -2.256 -6.917 -9.831 1.00 25.00 H new ATOM 123 N ILE A 10 -1.546 -4.541 -12.493 1.00 25.00 N ATOM 124 CA ILE A 10 -2.163 -3.628 -13.453 1.00 25.00 C ATOM 125 C ILE A 10 -2.946 -2.523 -12.744 1.00 25.00 C ATOM 126 O ILE A 10 -4.005 -2.765 -12.171 1.00 25.00 O ATOM 127 CB ILE A 10 -3.133 -4.388 -14.418 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.433 -5.596 -15.092 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.699 -3.417 -15.483 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.355 -5.246 -16.110 1.00 25.00 C ATOM 0 H ILE A 10 -2.155 -5.293 -12.170 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.351 -3.185 -14.030 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.960 -4.779 -13.825 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.986 -6.215 -14.314 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.191 -6.203 -15.586 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.372 -3.958 -16.148 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.245 -2.614 -14.989 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.878 -2.995 -16.063 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.931 -6.162 -16.520 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.793 -4.657 -16.916 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.569 -4.668 -15.624 1.00 25.00 H new ATOM 142 N CYS A 11 -2.449 -1.298 -12.831 1.00 25.00 N ATOM 143 CA CYS A 11 -3.185 -0.148 -12.316 1.00 25.00 C ATOM 144 C CYS A 11 -4.069 0.406 -13.425 1.00 25.00 C ATOM 145 O CYS A 11 -3.583 0.953 -14.413 1.00 25.00 O ATOM 146 CB CYS A 11 -2.238 0.939 -11.806 1.00 25.00 C ATOM 147 SG CYS A 11 -1.719 0.642 -10.086 1.00 25.00 S ATOM 0 H CYS A 11 -1.546 -1.073 -13.250 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.797 -0.471 -11.474 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.358 0.983 -12.448 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.730 1.909 -11.873 1.00 25.00 H new ATOM 152 N SER A 12 -5.373 0.260 -13.248 1.00 25.00 N ATOM 153 CA SER A 12 -6.348 0.811 -14.181 1.00 25.00 C ATOM 154 C SER A 12 -6.402 2.318 -13.962 1.00 25.00 C ATOM 155 O SER A 12 -5.858 2.820 -12.983 1.00 25.00 O ATOM 156 CB SER A 12 -7.720 0.196 -13.910 1.00 25.00 C ATOM 157 OG SER A 12 -8.122 0.459 -12.574 1.00 25.00 O ATOM 0 H SER A 12 -5.785 -0.240 -12.460 1.00 25.00 H new ATOM 0 HA SER A 12 -6.065 0.588 -15.210 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.453 0.605 -14.605 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.684 -0.880 -14.081 1.00 25.00 H new ATOM 0 HG SER A 12 -8.921 -0.068 -12.363 1.00 25.00 H new ATOM 163 N LEU A 13 -7.087 3.041 -14.837 1.00 25.00 N ATOM 164 CA LEU A 13 -7.189 4.498 -14.702 1.00 25.00 C ATOM 165 C LEU A 13 -7.792 4.919 -13.356 1.00 25.00 C ATOM 166 O LEU A 13 -7.427 5.946 -12.811 1.00 25.00 O ATOM 167 CB LEU A 13 -7.990 5.088 -15.873 1.00 25.00 C ATOM 168 CG LEU A 13 -9.493 4.765 -15.948 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.321 5.922 -15.396 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.894 4.482 -17.392 1.00 25.00 C ATOM 0 H LEU A 13 -7.578 2.653 -15.642 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.176 4.899 -14.730 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.881 6.172 -15.841 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.528 4.749 -16.800 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.686 3.880 -15.341 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.380 5.673 -15.458 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.050 6.099 -14.355 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.124 6.821 -15.980 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.959 4.254 -17.436 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.684 5.358 -18.006 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.325 3.631 -17.767 1.00 25.00 H new ATOM 182 N TYR A 14 -8.662 4.093 -12.793 1.00 25.00 N ATOM 183 CA TYR A 14 -9.279 4.392 -11.503 1.00 25.00 C ATOM 184 C TYR A 14 -8.252 4.320 -10.373 1.00 25.00 C ATOM 185 O TYR A 14 -8.246 5.141 -9.469 1.00 25.00 O ATOM 186 CB TYR A 14 -10.402 3.393 -11.238 1.00 25.00 C ATOM 187 CG TYR A 14 -11.283 3.166 -12.446 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.204 4.147 -12.866 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.193 1.968 -13.186 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.020 3.936 -14.012 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.003 1.758 -14.335 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.907 2.747 -14.735 1.00 25.00 C ATOM 193 OH TYR A 14 -13.688 2.553 -15.846 1.00 25.00 O ATOM 0 H TYR A 14 -8.959 3.209 -13.207 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.680 5.405 -11.536 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.970 2.442 -10.926 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.014 3.752 -10.410 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.291 5.070 -12.311 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.500 1.201 -12.875 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.725 4.693 -14.322 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.921 0.839 -14.896 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.489 1.677 -16.237 1.00 25.00 H new ATOM 203 N GLN A 15 -7.355 3.348 -10.458 1.00 25.00 N ATOM 204 CA GLN A 15 -6.282 3.201 -9.473 1.00 25.00 C ATOM 205 C GLN A 15 -5.312 4.367 -9.618 1.00 25.00 C ATOM 206 O GLN A 15 -4.804 4.903 -8.638 1.00 25.00 O ATOM 207 CB GLN A 15 -5.532 1.886 -9.704 1.00 25.00 C ATOM 208 CG GLN A 15 -6.363 0.640 -9.414 1.00 25.00 C ATOM 209 CD GLN A 15 -6.659 0.483 -7.934 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.767 0.551 -7.108 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.906 0.286 -7.599 1.00 25.00 N ATOM 0 H GLN A 15 -7.345 2.646 -11.198 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.711 3.193 -8.471 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.191 1.851 -10.739 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.642 1.872 -9.075 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.301 0.693 -9.967 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -5.831 -0.241 -9.772 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.626 0.235 -8.320 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -8.160 0.183 -6.616 1.00 25.00 H new ATOM 220 N LEU A 16 -5.082 4.767 -10.857 1.00 25.00 N ATOM 221 CA LEU A 16 -4.200 5.887 -11.166 1.00 25.00 C ATOM 222 C LEU A 16 -4.738 7.218 -10.634 1.00 25.00 C ATOM 223 O LEU A 16 -3.961 8.064 -10.222 1.00 25.00 O ATOM 224 CB LEU A 16 -3.950 5.964 -12.674 1.00 25.00 C ATOM 225 CG LEU A 16 -3.086 4.823 -13.244 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.105 4.866 -14.763 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.638 4.906 -12.750 1.00 25.00 C ATOM 0 H LEU A 16 -5.499 4.328 -11.678 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.253 5.706 -10.657 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.911 5.965 -13.188 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.467 6.915 -12.900 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.511 3.882 -12.893 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.492 4.056 -15.158 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.129 4.751 -15.117 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.708 5.822 -15.105 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.061 4.084 -13.174 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.201 5.855 -13.062 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.620 4.838 -11.662 1.00 25.00 H new ATOM 239 N GLU A 17 -6.052 7.411 -10.622 1.00 25.00 N ATOM 240 CA GLU A 17 -6.635 8.657 -10.099 1.00 25.00 C ATOM 241 C GLU A 17 -6.253 8.937 -8.640 1.00 25.00 C ATOM 242 O GLU A 17 -6.226 10.084 -8.229 1.00 25.00 O ATOM 243 CB GLU A 17 -8.164 8.642 -10.205 1.00 25.00 C ATOM 244 CG GLU A 17 -8.687 8.936 -11.600 1.00 25.00 C ATOM 245 CD GLU A 17 -10.182 9.043 -11.642 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.896 8.228 -12.153 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.638 10.110 -11.083 1.00 25.00 O ATOM 0 H GLU A 17 -6.734 6.733 -10.963 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.220 9.451 -10.720 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.531 7.666 -9.888 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.574 9.377 -9.512 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.249 9.867 -11.960 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.363 8.148 -12.280 1.00 25.00 H new ATOM 255 N ASN A 18 -5.897 7.909 -7.881 1.00 25.00 N ATOM 256 CA ASN A 18 -5.457 8.095 -6.491 1.00 25.00 C ATOM 257 C ASN A 18 -4.182 8.948 -6.399 1.00 25.00 C ATOM 258 O ASN A 18 -3.917 9.573 -5.383 1.00 25.00 O ATOM 259 CB ASN A 18 -5.216 6.747 -5.816 1.00 25.00 C ATOM 260 CG ASN A 18 -6.488 5.972 -5.601 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.391 6.421 -4.925 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.559 4.802 -6.167 1.00 25.00 N ATOM 0 H ASN A 18 -5.902 6.939 -8.196 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.258 8.624 -5.975 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.534 6.156 -6.427 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.726 6.908 -4.856 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.394 4.229 -6.050 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.779 4.459 -6.728 1.00 25.00 H new ATOM 269 N TYR A 19 -3.369 8.931 -7.448 1.00 25.00 N ATOM 270 CA TYR A 19 -2.128 9.714 -7.481 1.00 25.00 C ATOM 271 C TYR A 19 -2.431 11.203 -7.689 1.00 25.00 C ATOM 272 O TYR A 19 -1.591 12.063 -7.415 1.00 25.00 O ATOM 273 CB TYR A 19 -1.251 9.246 -8.636 1.00 25.00 C ATOM 274 CG TYR A 19 -0.586 7.903 -8.434 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.279 6.698 -8.682 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.756 7.829 -8.016 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.636 5.447 -8.525 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.399 6.579 -7.859 1.00 25.00 C ATOM 279 CZ TYR A 19 0.697 5.403 -8.122 1.00 25.00 C ATOM 280 OH TYR A 19 1.325 4.199 -7.980 1.00 25.00 O ATOM 0 H TYR A 19 -3.542 8.384 -8.291 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.617 9.572 -6.529 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.860 9.200 -9.539 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.478 9.994 -8.811 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.312 6.731 -8.995 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.302 8.738 -7.813 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.176 4.531 -8.717 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.429 6.535 -7.537 1.00 25.00 H new ATOM 0 HH TYR A 19 0.877 3.529 -8.537 1.00 25.00 H new ATOM 290 N CYS A 20 -3.623 11.507 -8.184 1.00 25.00 N ATOM 291 CA CYS A 20 -4.037 12.889 -8.418 1.00 25.00 C ATOM 292 C CYS A 20 -4.571 13.486 -7.114 1.00 25.00 C ATOM 293 O CYS A 20 -5.772 13.670 -6.937 1.00 25.00 O ATOM 294 CB CYS A 20 -5.128 12.950 -9.496 1.00 25.00 C ATOM 295 SG CYS A 20 -4.558 12.526 -11.176 1.00 25.00 S ATOM 0 H CYS A 20 -4.326 10.812 -8.434 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.175 13.461 -8.762 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.934 12.271 -9.218 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.549 13.955 -9.512 1.00 25.00 H new ATOM 300 N ASN A 21 -3.645 13.789 -6.192 1.00 25.00 N ATOM 301 CA ASN A 21 -3.910 14.384 -4.862 1.00 25.00 C ATOM 302 C ASN A 21 -4.714 13.493 -3.907 1.00 25.00 C ATOM 303 O ASN A 21 -4.290 13.192 -2.813 1.00 25.00 O ATOM 304 CB ASN A 21 -4.490 15.811 -4.977 1.00 25.00 C ATOM 305 CG ASN A 21 -4.916 16.341 -3.635 1.00 25.00 C ATOM 306 OD1 ASN A 21 -6.009 16.173 -3.166 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.013 17.055 -2.978 1.00 25.00 N ATOM 308 OXT ASN A 21 -5.866 13.077 -4.352 1.00 25.00 O ATOM 0 H ASN A 21 -2.652 13.622 -6.353 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.932 14.464 -4.387 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.743 16.475 -5.411 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -5.344 15.805 -5.655 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -4.246 17.463 -2.073 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -3.085 17.197 -3.378 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.043 2.142 -23.410 1.00 25.00 N ATOM 318 CA PHE B 1 -6.921 1.892 -22.462 1.00 25.00 C ATOM 319 C PHE B 1 -6.328 0.522 -22.722 1.00 25.00 C ATOM 320 O PHE B 1 -7.043 -0.353 -23.180 1.00 25.00 O ATOM 321 CB PHE B 1 -7.442 1.974 -21.019 1.00 25.00 C ATOM 322 CG PHE B 1 -6.364 2.212 -19.991 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.949 3.524 -19.686 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.772 1.132 -19.303 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.944 3.761 -18.713 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.765 1.358 -18.328 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.353 2.676 -18.034 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.762 2.872 -24.095 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.273 1.263 -23.916 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.878 2.466 -22.882 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.147 2.646 -22.607 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.176 2.777 -20.954 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.962 1.047 -20.778 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.402 4.359 -20.199 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.088 0.122 -19.520 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.632 4.771 -18.493 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.315 0.523 -17.812 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.588 2.852 -17.292 1.00 25.00 H new ATOM 339 N VAL B 2 -5.041 0.334 -22.460 1.00 25.00 N ATOM 340 CA VAL B 2 -4.391 -0.963 -22.671 1.00 25.00 C ATOM 341 C VAL B 2 -3.760 -1.365 -21.350 1.00 25.00 C ATOM 342 O VAL B 2 -3.037 -0.573 -20.745 1.00 25.00 O ATOM 343 CB VAL B 2 -3.288 -0.886 -23.777 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.609 -2.253 -23.975 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.899 -0.417 -25.110 1.00 25.00 C ATOM 0 H VAL B 2 -4.422 1.061 -22.101 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.129 -1.692 -23.005 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.537 -0.167 -23.451 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.846 -2.172 -24.749 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.145 -2.568 -23.040 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.354 -2.989 -24.276 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.120 -0.368 -25.870 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.669 -1.121 -25.425 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.341 0.571 -24.980 1.00 25.00 H new ATOM 355 N ASN B 3 -4.058 -2.568 -20.882 1.00 25.00 N ATOM 356 CA ASN B 3 -3.506 -3.034 -19.616 1.00 25.00 C ATOM 357 C ASN B 3 -2.023 -3.268 -19.758 1.00 25.00 C ATOM 358 O ASN B 3 -1.581 -3.971 -20.659 1.00 25.00 O ATOM 359 CB ASN B 3 -4.131 -4.355 -19.178 1.00 25.00 C ATOM 360 CG ASN B 3 -5.558 -4.197 -18.718 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.960 -3.134 -18.275 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.329 -5.242 -18.830 1.00 25.00 N ATOM 0 H ASN B 3 -4.672 -3.233 -21.352 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.720 -2.264 -18.875 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.097 -5.062 -20.007 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.538 -4.783 -18.370 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.306 -5.188 -18.542 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.955 -6.114 -19.206 1.00 25.00 H new ATOM 369 N GLN B 4 -1.264 -2.718 -18.832 1.00 25.00 N ATOM 370 CA GLN B 4 0.160 -2.934 -18.772 1.00 25.00 C ATOM 371 C GLN B 4 0.546 -2.587 -17.353 1.00 25.00 C ATOM 372 O GLN B 4 -0.112 -1.773 -16.705 1.00 25.00 O ATOM 373 CB GLN B 4 0.899 -2.029 -19.775 1.00 25.00 C ATOM 374 CG GLN B 4 0.657 -0.535 -19.564 1.00 25.00 C ATOM 375 CD GLN B 4 1.290 0.312 -20.639 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.414 0.786 -20.498 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.572 0.524 -21.709 1.00 25.00 N ATOM 0 H GLN B 4 -1.623 -2.107 -18.099 1.00 25.00 H new ATOM 0 HA GLN B 4 0.427 -3.958 -19.033 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.969 -2.226 -19.706 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.590 -2.297 -20.785 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.416 -0.344 -19.541 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.054 -0.240 -18.593 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.358 0.113 -21.789 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.941 1.101 -22.465 1.00 25.00 H new ATOM 386 N HIS B 5 1.599 -3.209 -16.866 1.00 25.00 N ATOM 387 CA HIS B 5 2.185 -2.806 -15.592 1.00 25.00 C ATOM 388 C HIS B 5 2.821 -1.434 -15.817 1.00 25.00 C ATOM 389 O HIS B 5 3.301 -1.144 -16.914 1.00 25.00 O ATOM 390 CB HIS B 5 3.214 -3.831 -15.127 1.00 25.00 C ATOM 391 CG HIS B 5 2.640 -5.202 -14.954 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.486 -5.455 -14.237 1.00 25.00 N ATOM 393 CD2 HIS B 5 3.030 -6.415 -15.407 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.223 -6.756 -14.281 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.146 -7.350 -14.973 1.00 25.00 N ATOM 0 H HIS B 5 2.068 -3.990 -17.324 1.00 25.00 H new ATOM 0 HA HIS B 5 1.430 -2.750 -14.808 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.028 -3.873 -15.850 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.644 -3.502 -14.181 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.902 -6.608 -16.014 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.378 -7.241 -13.816 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.199 -8.351 -15.160 1.00 25.00 H new ATOM 404 N LEU B 6 2.768 -0.579 -14.811 1.00 25.00 N ATOM 405 CA LEU B 6 3.205 0.809 -14.937 1.00 25.00 C ATOM 406 C LEU B 6 4.209 1.160 -13.852 1.00 25.00 C ATOM 407 O LEU B 6 3.852 1.337 -12.693 1.00 25.00 O ATOM 408 CB LEU B 6 1.991 1.737 -14.831 1.00 25.00 C ATOM 409 CG LEU B 6 0.975 1.640 -15.980 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.297 2.363 -15.592 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.540 2.234 -17.273 1.00 25.00 C ATOM 0 H LEU B 6 2.422 -0.822 -13.883 1.00 25.00 H new ATOM 0 HA LEU B 6 3.686 0.936 -15.907 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.475 1.524 -13.895 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.347 2.765 -14.771 1.00 25.00 H new ATOM 0 HG LEU B 6 0.760 0.587 -16.161 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -1.018 2.294 -16.407 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.717 1.905 -14.696 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.073 3.411 -15.393 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.798 2.150 -18.067 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.785 3.284 -17.114 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.441 1.691 -17.560 1.00 25.00 H new ATOM 423 N CYS B 7 5.470 1.264 -14.239 1.00 25.00 N ATOM 424 CA CYS B 7 6.540 1.582 -13.304 1.00 25.00 C ATOM 425 C CYS B 7 7.474 2.582 -13.972 1.00 25.00 C ATOM 426 O CYS B 7 7.479 2.696 -15.202 1.00 25.00 O ATOM 427 CB CYS B 7 7.305 0.306 -12.944 1.00 25.00 C ATOM 428 SG CYS B 7 8.087 0.345 -11.299 1.00 25.00 S ATOM 0 H CYS B 7 5.780 1.132 -15.202 1.00 25.00 H new ATOM 0 HA CYS B 7 6.131 2.010 -12.389 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.619 -0.540 -12.988 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.075 0.132 -13.696 1.00 25.00 H new ATOM 433 N GLY B 8 8.259 3.299 -13.181 1.00 25.00 N ATOM 434 CA GLY B 8 9.192 4.266 -13.738 1.00 25.00 C ATOM 435 C GLY B 8 8.480 5.318 -14.565 1.00 25.00 C ATOM 436 O GLY B 8 7.389 5.770 -14.215 1.00 25.00 O ATOM 0 H GLY B 8 8.269 3.231 -12.163 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.742 4.749 -12.930 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.925 3.750 -14.358 1.00 25.00 H new ATOM 440 N SER B 9 9.072 5.681 -15.694 1.00 25.00 N ATOM 441 CA SER B 9 8.497 6.685 -16.581 1.00 25.00 C ATOM 442 C SER B 9 7.106 6.316 -17.094 1.00 25.00 C ATOM 443 O SER B 9 6.284 7.191 -17.315 1.00 25.00 O ATOM 444 CB SER B 9 9.436 6.892 -17.764 1.00 25.00 C ATOM 445 OG SER B 9 10.733 6.428 -17.422 1.00 25.00 O ATOM 0 H SER B 9 9.957 5.292 -16.020 1.00 25.00 H new ATOM 0 HA SER B 9 8.382 7.601 -16.001 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.064 6.355 -18.636 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.474 7.948 -18.032 1.00 25.00 H new ATOM 0 HG SER B 9 11.338 6.559 -18.182 1.00 25.00 H new ATOM 451 N HIS B 10 6.818 5.029 -17.249 1.00 25.00 N ATOM 452 CA HIS B 10 5.494 4.614 -17.731 1.00 25.00 C ATOM 453 C HIS B 10 4.400 5.029 -16.760 1.00 25.00 C ATOM 454 O HIS B 10 3.294 5.351 -17.177 1.00 25.00 O ATOM 455 CB HIS B 10 5.421 3.099 -17.944 1.00 25.00 C ATOM 456 CG HIS B 10 5.822 2.666 -19.318 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.970 1.978 -20.190 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.979 2.814 -20.016 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.613 1.751 -21.325 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.820 2.244 -21.242 1.00 25.00 N ATOM 0 H HIS B 10 7.464 4.264 -17.054 1.00 25.00 H new ATOM 0 HA HIS B 10 5.339 5.115 -18.687 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.065 2.607 -17.215 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.403 2.762 -17.749 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.011 1.698 -19.985 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.874 3.302 -19.658 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.204 1.239 -22.184 1.00 25.00 H new ATOM 469 N LEU B 11 4.704 5.034 -15.471 1.00 25.00 N ATOM 470 CA LEU B 11 3.704 5.391 -14.471 1.00 25.00 C ATOM 471 C LEU B 11 3.299 6.852 -14.609 1.00 25.00 C ATOM 472 O LEU B 11 2.117 7.162 -14.654 1.00 25.00 O ATOM 473 CB LEU B 11 4.239 5.113 -13.059 1.00 25.00 C ATOM 474 CG LEU B 11 3.274 5.375 -11.887 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.987 4.564 -12.010 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.977 5.019 -10.580 1.00 25.00 C ATOM 0 H LEU B 11 5.622 4.799 -15.094 1.00 25.00 H new ATOM 0 HA LEU B 11 2.819 4.776 -14.636 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.553 4.070 -13.014 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.131 5.721 -12.908 1.00 25.00 H new ATOM 0 HG LEU B 11 2.999 6.430 -11.904 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.338 4.781 -11.162 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.476 4.830 -12.936 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.227 3.501 -12.021 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.303 5.201 -9.743 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.262 3.967 -10.595 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.869 5.635 -10.467 1.00 25.00 H new ATOM 488 N VAL B 12 4.267 7.750 -14.714 1.00 25.00 N ATOM 489 CA VAL B 12 3.942 9.173 -14.819 1.00 25.00 C ATOM 490 C VAL B 12 3.371 9.509 -16.198 1.00 25.00 C ATOM 491 O VAL B 12 2.519 10.374 -16.315 1.00 25.00 O ATOM 492 CB VAL B 12 5.157 10.090 -14.464 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.593 9.842 -13.008 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.346 9.860 -15.404 1.00 25.00 C ATOM 0 H VAL B 12 5.263 7.531 -14.729 1.00 25.00 H new ATOM 0 HA VAL B 12 3.171 9.378 -14.077 1.00 25.00 H new ATOM 0 HB VAL B 12 4.833 11.124 -14.585 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.440 10.484 -12.767 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.764 10.068 -12.337 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.883 8.798 -12.888 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.167 10.518 -15.120 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.671 8.822 -15.332 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.046 10.076 -16.429 1.00 25.00 H new ATOM 504 N GLU B 13 3.770 8.771 -17.226 1.00 25.00 N ATOM 505 CA GLU B 13 3.213 8.966 -18.568 1.00 25.00 C ATOM 506 C GLU B 13 1.724 8.633 -18.562 1.00 25.00 C ATOM 507 O GLU B 13 0.919 9.334 -19.165 1.00 25.00 O ATOM 508 CB GLU B 13 3.941 8.076 -19.578 1.00 25.00 C ATOM 509 CG GLU B 13 5.313 8.620 -19.981 1.00 25.00 C ATOM 510 CD GLU B 13 6.154 7.601 -20.703 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.905 6.422 -20.751 1.00 25.00 O ATOM 512 OE2 GLU B 13 7.202 8.103 -21.252 1.00 25.00 O ATOM 0 H GLU B 13 4.473 8.035 -17.162 1.00 25.00 H new ATOM 0 HA GLU B 13 3.347 10.008 -18.858 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.063 7.080 -19.153 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.323 7.969 -20.470 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.180 9.493 -20.620 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.842 8.956 -19.089 1.00 25.00 H new ATOM 520 N ALA B 14 1.353 7.581 -17.847 1.00 25.00 N ATOM 521 CA ALA B 14 -0.049 7.209 -17.731 1.00 25.00 C ATOM 522 C ALA B 14 -0.808 8.265 -16.923 1.00 25.00 C ATOM 523 O ALA B 14 -1.945 8.594 -17.238 1.00 25.00 O ATOM 524 CB ALA B 14 -0.168 5.845 -17.071 1.00 25.00 C ATOM 0 H ALA B 14 1.998 6.974 -17.342 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.489 7.155 -18.727 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.220 5.572 -16.987 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.353 5.102 -17.675 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.278 5.882 -16.077 1.00 25.00 H new ATOM 530 N LEU B 15 -0.174 8.801 -15.890 1.00 25.00 N ATOM 531 CA LEU B 15 -0.811 9.815 -15.051 1.00 25.00 C ATOM 532 C LEU B 15 -1.097 11.104 -15.810 1.00 25.00 C ATOM 533 O LEU B 15 -2.109 11.747 -15.549 1.00 25.00 O ATOM 534 CB LEU B 15 0.047 10.118 -13.819 1.00 25.00 C ATOM 535 CG LEU B 15 0.061 9.035 -12.728 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.059 9.389 -11.631 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.321 8.864 -12.141 1.00 25.00 C ATOM 0 H LEU B 15 0.776 8.555 -15.611 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.768 9.400 -14.734 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.072 10.289 -14.147 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.305 11.049 -13.375 1.00 25.00 H new ATOM 0 HG LEU B 15 0.369 8.094 -13.183 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.053 8.610 -10.869 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.058 9.470 -12.060 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.780 10.341 -11.179 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.296 8.094 -11.370 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.649 9.806 -11.702 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.016 8.568 -12.927 1.00 25.00 H new ATOM 549 N TYR B 16 -0.271 11.447 -16.791 1.00 25.00 N ATOM 550 CA TYR B 16 -0.544 12.623 -17.624 1.00 25.00 C ATOM 551 C TYR B 16 -1.868 12.452 -18.356 1.00 25.00 C ATOM 552 O TYR B 16 -2.621 13.400 -18.508 1.00 25.00 O ATOM 553 CB TYR B 16 0.568 12.859 -18.656 1.00 25.00 C ATOM 554 CG TYR B 16 1.745 13.643 -18.117 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.629 15.026 -17.864 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.981 13.016 -17.856 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.726 15.767 -17.346 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.079 13.755 -17.338 1.00 25.00 C ATOM 559 CZ TYR B 16 3.935 15.123 -17.084 1.00 25.00 C ATOM 560 OH TYR B 16 4.986 15.840 -16.573 1.00 25.00 O ATOM 0 H TYR B 16 0.581 10.940 -17.031 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.590 13.486 -16.960 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.922 11.895 -19.022 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.150 13.390 -19.511 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.695 15.528 -18.066 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.095 11.960 -18.052 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.624 16.825 -17.156 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.020 13.263 -17.141 1.00 25.00 H new ATOM 0 HH TYR B 16 5.756 15.247 -16.446 1.00 25.00 H new ATOM 570 N LEU B 17 -2.163 11.240 -18.798 1.00 25.00 N ATOM 571 CA LEU B 17 -3.422 10.980 -19.492 1.00 25.00 C ATOM 572 C LEU B 17 -4.621 11.015 -18.549 1.00 25.00 C ATOM 573 O LEU B 17 -5.674 11.534 -18.891 1.00 25.00 O ATOM 574 CB LEU B 17 -3.387 9.608 -20.162 1.00 25.00 C ATOM 575 CG LEU B 17 -2.281 9.362 -21.202 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.290 7.884 -21.601 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.464 10.239 -22.442 1.00 25.00 C ATOM 0 H LEU B 17 -1.558 10.426 -18.692 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.534 11.771 -20.234 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.291 8.853 -19.382 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.349 9.444 -20.647 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.323 9.625 -20.754 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.508 7.701 -22.338 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.109 7.268 -20.720 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.259 7.629 -22.029 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.663 10.036 -23.153 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.425 10.018 -22.906 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.434 11.289 -22.152 1.00 25.00 H new ATOM 589 N VAL B 18 -4.470 10.405 -17.381 1.00 25.00 N ATOM 590 CA VAL B 18 -5.585 10.259 -16.437 1.00 25.00 C ATOM 591 C VAL B 18 -5.926 11.584 -15.766 1.00 25.00 C ATOM 592 O VAL B 18 -7.097 11.941 -15.619 1.00 25.00 O ATOM 593 CB VAL B 18 -5.246 9.188 -15.358 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.354 9.073 -14.310 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.048 7.833 -16.030 1.00 25.00 C ATOM 0 H VAL B 18 -3.590 10.002 -17.059 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.457 9.933 -17.004 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.331 9.499 -14.853 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.082 8.316 -13.574 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.484 10.033 -13.811 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.287 8.787 -14.796 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.811 7.084 -15.275 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.963 7.548 -16.550 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.229 7.898 -16.746 1.00 25.00 H new ATOM 605 N CYS B 19 -4.910 12.328 -15.366 1.00 25.00 N ATOM 606 CA CYS B 19 -5.151 13.618 -14.737 1.00 25.00 C ATOM 607 C CYS B 19 -5.378 14.697 -15.797 1.00 25.00 C ATOM 608 O CYS B 19 -6.001 15.726 -15.521 1.00 25.00 O ATOM 609 CB CYS B 19 -3.998 14.002 -13.813 1.00 25.00 C ATOM 610 SG CYS B 19 -4.564 14.329 -12.110 1.00 25.00 S ATOM 0 H CYS B 19 -3.928 12.070 -15.462 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.053 13.536 -14.130 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.260 13.200 -13.802 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.499 14.888 -14.205 1.00 25.00 H new ATOM 615 N GLY B 20 -4.923 14.456 -17.017 1.00 25.00 N ATOM 616 CA GLY B 20 -5.112 15.428 -18.079 1.00 25.00 C ATOM 617 C GLY B 20 -4.305 16.691 -17.839 1.00 25.00 C ATOM 618 O GLY B 20 -3.327 16.697 -17.091 1.00 25.00 O ATOM 0 H GLY B 20 -4.427 13.608 -17.293 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.820 14.986 -19.032 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.169 15.682 -18.155 1.00 25.00 H new ATOM 622 N GLU B 21 -4.750 17.784 -18.446 1.00 25.00 N ATOM 623 CA GLU B 21 -4.077 19.085 -18.334 1.00 25.00 C ATOM 624 C GLU B 21 -4.103 19.676 -16.912 1.00 25.00 C ATOM 625 O GLU B 21 -3.474 20.691 -16.648 1.00 25.00 O ATOM 626 CB GLU B 21 -4.736 20.073 -19.308 1.00 25.00 C ATOM 627 CG GLU B 21 -3.789 21.151 -19.851 1.00 25.00 C ATOM 628 CD GLU B 21 -2.798 20.602 -20.838 1.00 25.00 C ATOM 629 OE1 GLU B 21 -1.621 20.565 -20.651 1.00 25.00 O ATOM 630 OE2 GLU B 21 -3.337 20.157 -21.918 1.00 25.00 O ATOM 0 H GLU B 21 -5.586 17.800 -19.030 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.028 18.921 -18.581 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -5.152 19.515 -20.147 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.571 20.560 -18.804 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.374 21.937 -20.328 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -3.253 21.611 -19.021 1.00 25.00 H new ATOM 638 N ARG B 22 -4.821 19.035 -15.996 1.00 25.00 N ATOM 639 CA ARG B 22 -4.876 19.491 -14.601 1.00 25.00 C ATOM 640 C ARG B 22 -3.532 19.270 -13.916 1.00 25.00 C ATOM 641 O ARG B 22 -3.212 19.937 -12.939 1.00 25.00 O ATOM 642 CB ARG B 22 -5.959 18.729 -13.831 1.00 25.00 C ATOM 643 CG ARG B 22 -7.376 18.979 -14.352 1.00 25.00 C ATOM 644 CD ARG B 22 -8.400 18.090 -13.651 1.00 25.00 C ATOM 645 NE ARG B 22 -8.227 16.675 -14.024 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.007 15.672 -13.639 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.040 15.851 -12.851 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.744 14.467 -14.061 1.00 25.00 N ATOM 0 H ARG B 22 -5.374 18.200 -16.188 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.113 20.555 -14.603 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.746 17.661 -13.882 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.913 19.013 -12.780 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.640 20.026 -14.202 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.407 18.793 -15.426 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.300 18.198 -12.571 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.407 18.416 -13.912 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.440 16.446 -14.631 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.267 16.786 -12.512 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.616 15.055 -12.577 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.948 14.305 -14.678 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.334 13.686 -13.774 1.00 25.00 H new ATOM 662 N GLY B 23 -2.758 18.327 -14.434 1.00 25.00 N ATOM 663 CA GLY B 23 -1.469 18.008 -13.848 1.00 25.00 C ATOM 664 C GLY B 23 -1.614 17.107 -12.637 1.00 25.00 C ATOM 665 O GLY B 23 -2.718 16.822 -12.190 1.00 25.00 O ATOM 0 H GLY B 23 -3.001 17.773 -15.255 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.841 17.519 -14.593 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -0.962 18.929 -13.559 1.00 25.00 H new ATOM 669 N PHE B 24 -0.489 16.636 -12.125 1.00 25.00 N ATOM 670 CA PHE B 24 -0.446 15.737 -10.974 1.00 25.00 C ATOM 671 C PHE B 24 0.957 15.906 -10.419 1.00 25.00 C ATOM 672 O PHE B 24 1.777 16.583 -11.038 1.00 25.00 O ATOM 673 CB PHE B 24 -0.672 14.279 -11.398 1.00 25.00 C ATOM 674 CG PHE B 24 0.394 13.753 -12.312 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.320 13.986 -13.692 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.489 13.035 -11.797 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.332 13.524 -14.553 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.512 12.566 -12.654 1.00 25.00 C ATOM 679 CZ PHE B 24 2.431 12.819 -14.038 1.00 25.00 C ATOM 0 H PHE B 24 0.432 16.867 -12.498 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.224 15.969 -10.247 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.718 13.652 -10.507 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.639 14.199 -11.895 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.523 14.526 -14.099 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.549 12.840 -10.736 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.263 13.712 -15.614 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.350 12.017 -12.250 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.211 12.472 -14.699 1.00 25.00 H new ATOM 689 N PHE B 25 1.257 15.261 -9.303 1.00 25.00 N ATOM 690 CA PHE B 25 2.604 15.289 -8.749 1.00 25.00 C ATOM 691 C PHE B 25 3.021 13.864 -8.421 1.00 25.00 C ATOM 692 O PHE B 25 2.183 12.972 -8.312 1.00 25.00 O ATOM 693 CB PHE B 25 2.658 16.169 -7.493 1.00 25.00 C ATOM 694 CG PHE B 25 1.783 15.677 -6.369 1.00 25.00 C ATOM 695 CD1 PHE B 25 2.288 14.770 -5.416 1.00 25.00 C ATOM 696 CD2 PHE B 25 0.452 16.120 -6.252 1.00 25.00 C ATOM 697 CE1 PHE B 25 1.468 14.294 -4.363 1.00 25.00 C ATOM 698 CE2 PHE B 25 -0.375 15.656 -5.202 1.00 25.00 C ATOM 699 CZ PHE B 25 0.132 14.737 -4.258 1.00 25.00 C ATOM 0 H PHE B 25 0.588 14.712 -8.763 1.00 25.00 H new ATOM 0 HA PHE B 25 3.291 15.717 -9.479 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.689 16.223 -7.142 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.358 17.183 -7.758 1.00 25.00 H new ATOM 0 HD1 PHE B 25 3.312 14.434 -5.489 1.00 25.00 H new ATOM 0 HD2 PHE B 25 0.058 16.822 -6.972 1.00 25.00 H new ATOM 0 HE1 PHE B 25 1.864 13.594 -3.642 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -1.394 16.005 -5.123 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.499 14.375 -3.460 1.00 25.00 H new ATOM 709 N TYR B 26 4.314 13.657 -8.247 1.00 25.00 N ATOM 710 CA TYR B 26 4.849 12.358 -7.876 1.00 25.00 C ATOM 711 C TYR B 26 5.980 12.635 -6.906 1.00 25.00 C ATOM 712 O TYR B 26 6.697 13.614 -7.069 1.00 25.00 O ATOM 713 CB TYR B 26 5.366 11.612 -9.104 1.00 25.00 C ATOM 714 CG TYR B 26 5.894 10.244 -8.754 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.017 9.152 -8.608 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.271 10.035 -8.540 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.506 7.871 -8.254 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.765 8.753 -8.187 1.00 25.00 C ATOM 719 CZ TYR B 26 6.876 7.682 -8.049 1.00 25.00 C ATOM 720 OH TYR B 26 7.352 6.444 -7.701 1.00 25.00 O ATOM 0 H TYR B 26 5.022 14.383 -8.358 1.00 25.00 H new ATOM 0 HA TYR B 26 4.081 11.728 -7.427 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.562 11.514 -9.834 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.156 12.195 -9.576 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.958 9.293 -8.768 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.959 10.861 -8.646 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.822 7.042 -8.143 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.823 8.605 -8.026 1.00 25.00 H new ATOM 0 HH TYR B 26 8.326 6.485 -7.598 1.00 25.00 H new ATOM 730 N THR B 27 6.120 11.804 -5.885 1.00 25.00 N ATOM 731 CA THR B 27 7.132 12.023 -4.853 1.00 25.00 C ATOM 732 C THR B 27 8.112 10.850 -4.749 1.00 25.00 C ATOM 733 O THR B 27 7.847 9.860 -4.047 1.00 25.00 O ATOM 734 CB THR B 27 6.467 12.274 -3.484 1.00 25.00 C ATOM 735 OG1 THR B 27 5.452 11.292 -3.245 1.00 25.00 O ATOM 736 CG2 THR B 27 5.798 13.633 -3.459 1.00 25.00 C ATOM 0 H THR B 27 5.548 10.971 -5.745 1.00 25.00 H new ATOM 0 HA THR B 27 7.700 12.906 -5.146 1.00 25.00 H new ATOM 0 HB THR B 27 7.245 12.221 -2.722 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.036 11.457 -2.373 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.334 13.792 -2.486 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.543 14.409 -3.638 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.035 13.677 -4.236 1.00 25.00 H new ATOM 744 N PRO B 28 9.267 10.944 -5.437 1.00 25.00 N ATOM 745 CA PRO B 28 10.256 9.873 -5.272 1.00 25.00 C ATOM 746 C PRO B 28 10.865 9.941 -3.875 1.00 25.00 C ATOM 747 O PRO B 28 10.825 10.986 -3.229 1.00 25.00 O ATOM 748 CB PRO B 28 11.288 10.189 -6.357 1.00 25.00 C ATOM 749 CG PRO B 28 11.230 11.662 -6.493 1.00 25.00 C ATOM 750 CD PRO B 28 9.772 12.009 -6.328 1.00 25.00 C ATOM 0 HA PRO B 28 9.847 8.867 -5.369 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.285 9.854 -6.069 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.044 9.692 -7.296 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.841 12.153 -5.736 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.606 11.984 -7.464 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.641 12.997 -5.887 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.249 12.015 -7.284 1.00 25.00 H new ATOM 758 N LYS B 29 11.383 8.822 -3.387 1.00 25.00 N ATOM 759 CA LYS B 29 11.934 8.753 -2.032 1.00 25.00 C ATOM 760 C LYS B 29 13.191 7.912 -2.075 1.00 25.00 C ATOM 761 O LYS B 29 13.255 6.926 -2.799 1.00 25.00 O ATOM 762 CB LYS B 29 10.906 8.138 -1.069 1.00 25.00 C ATOM 763 CG LYS B 29 9.638 8.980 -0.947 1.00 25.00 C ATOM 764 CD LYS B 29 8.590 8.353 -0.049 1.00 25.00 C ATOM 765 CE LYS B 29 7.334 9.232 -0.017 1.00 25.00 C ATOM 766 NZ LYS B 29 6.678 9.328 -1.374 1.00 25.00 N ATOM 0 H LYS B 29 11.435 7.946 -3.907 1.00 25.00 H new ATOM 0 HA LYS B 29 12.170 9.754 -1.672 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.642 7.139 -1.415 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.359 8.025 -0.084 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.899 9.964 -0.558 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.213 9.132 -1.939 1.00 25.00 H new ATOM 0 HD2 LYS B 29 8.338 7.357 -0.411 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.987 8.234 0.959 1.00 25.00 H new ATOM 0 HE2 LYS B 29 6.623 8.823 0.701 1.00 25.00 H new ATOM 0 HE3 LYS B 29 7.599 10.231 0.329 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 5.756 9.800 -1.281 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 7.286 9.877 -2.015 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 6.540 8.373 -1.761 1.00 25.00 H new ATOM 780 N THR B 30 14.197 8.338 -1.324 1.00 25.00 N ATOM 781 CA THR B 30 15.506 7.676 -1.263 1.00 25.00 C ATOM 782 C THR B 30 15.692 6.792 -0.029 1.00 25.00 C ATOM 783 O THR B 30 16.610 6.021 0.112 1.00 25.00 O ATOM 784 CB THR B 30 16.598 8.753 -1.318 1.00 25.00 C ATOM 785 OG1 THR B 30 16.191 9.819 -0.465 1.00 25.00 O ATOM 786 CG2 THR B 30 16.734 9.332 -2.737 1.00 25.00 C ATOM 787 OXT THR B 30 14.791 6.924 0.894 1.00 25.00 O ATOM 0 H THR B 30 14.133 9.164 -0.729 1.00 25.00 H new ATOM 0 HA THR B 30 15.574 7.003 -2.118 1.00 25.00 H new ATOM 0 HB THR B 30 17.548 8.311 -1.017 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.871 10.525 -0.477 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.515 10.093 -2.746 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.996 8.534 -3.432 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.787 9.780 -3.039 1.00 25.00 H new TER 796 THR B 30