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= 0.785 K(o=1.7,f=-1.7) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.885 K(o=1.7,f=-5.1!) USER MOD Set 2.1: A 1 GLY N :NH3+ -111:sc= 0.0972 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= -0.221 K(o=-0.1,f=-0.85) USER MOD Set 2.3: A 15 GLN : amide:sc= 0.0238 K(o=-0.1,f=-2.2!) 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 -170:sc= -0.0356 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00952 X(o=-0.0095,f=-0.12) USER MOD Single : A 19 TYR OH : rot 13:sc= -0.105 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 1 PHE N :NH3+ 139:sc= 0.0864 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.4!) USER MOD Single : B 5 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-6.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 52:sc= 0.0565 USER MOD Single : B 29 LYS NZ :NH3+ -129:sc=-0.00133 (180deg=-0.716) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0696 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.694 -1.756 -1.566 1.00 25.00 N ATOM 2 CA GLY A 1 0.676 -0.288 -1.743 1.00 25.00 C ATOM 3 C GLY A 1 0.437 0.087 -3.181 1.00 25.00 C ATOM 4 O GLY A 1 0.665 -0.737 -4.064 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.146 -2.051 -1.029 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.689 -2.218 -2.498 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.552 -2.033 -1.047 1.00 25.00 H new ATOM 0 HA2 GLY A 1 -0.104 0.146 -1.117 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.624 0.132 -1.408 1.00 25.00 H new ATOM 10 N ILE A 2 -0.042 1.298 -3.431 1.00 25.00 N ATOM 11 CA ILE A 2 -0.475 1.692 -4.774 1.00 25.00 C ATOM 12 C ILE A 2 0.649 1.617 -5.814 1.00 25.00 C ATOM 13 O ILE A 2 0.424 1.217 -6.950 1.00 25.00 O ATOM 14 CB ILE A 2 -1.136 3.111 -4.742 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.916 3.351 -6.042 1.00 25.00 C ATOM 16 CG2 ILE A 2 -0.085 4.235 -4.476 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.747 4.631 -6.046 1.00 25.00 C ATOM 0 H ILE A 2 -0.142 2.027 -2.725 1.00 25.00 H new ATOM 0 HA ILE A 2 -1.223 0.966 -5.093 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.838 3.147 -3.909 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -1.212 3.386 -6.874 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.576 2.502 -6.218 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.584 5.204 -4.461 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.398 4.061 -3.514 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.666 4.226 -5.266 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.266 4.725 -7.000 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.477 4.593 -5.238 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -2.092 5.490 -5.903 1.00 25.00 H new ATOM 29 N VAL A 3 1.873 1.920 -5.404 1.00 25.00 N ATOM 30 CA VAL A 3 3.004 1.871 -6.323 1.00 25.00 C ATOM 31 C VAL A 3 3.215 0.444 -6.798 1.00 25.00 C ATOM 32 O VAL A 3 3.416 0.205 -7.972 1.00 25.00 O ATOM 33 CB VAL A 3 4.300 2.416 -5.664 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.456 2.449 -6.681 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.049 3.829 -5.105 1.00 25.00 C ATOM 0 H VAL A 3 2.108 2.200 -4.452 1.00 25.00 H new ATOM 0 HA VAL A 3 2.776 2.510 -7.177 1.00 25.00 H new ATOM 0 HB VAL A 3 4.580 1.751 -4.847 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.354 2.834 -6.198 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.646 1.441 -7.049 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.187 3.096 -7.516 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.962 4.205 -4.644 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.751 4.494 -5.916 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.256 3.789 -4.359 1.00 25.00 H new ATOM 45 N GLU A 4 3.131 -0.514 -5.887 1.00 25.00 N ATOM 46 CA GLU A 4 3.329 -1.913 -6.247 1.00 25.00 C ATOM 47 C GLU A 4 2.186 -2.405 -7.126 1.00 25.00 C ATOM 48 O GLU A 4 2.418 -3.126 -8.086 1.00 25.00 O ATOM 49 CB GLU A 4 3.427 -2.788 -4.994 1.00 25.00 C ATOM 50 CG GLU A 4 4.693 -2.542 -4.159 1.00 25.00 C ATOM 51 CD GLU A 4 4.635 -1.258 -3.373 1.00 25.00 C ATOM 52 OE1 GLU A 4 3.616 -0.781 -2.923 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.779 -0.682 -3.247 1.00 25.00 O ATOM 0 H GLU A 4 2.929 -0.352 -4.900 1.00 25.00 H new ATOM 0 HA GLU A 4 4.264 -1.987 -6.802 1.00 25.00 H new ATOM 0 HB2 GLU A 4 2.552 -2.610 -4.369 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.398 -3.836 -5.292 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.838 -3.376 -3.473 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.560 -2.519 -4.820 1.00 25.00 H new ATOM 61 N GLN A 5 0.967 -1.984 -6.815 1.00 25.00 N ATOM 62 CA GLN A 5 -0.217 -2.392 -7.581 1.00 25.00 C ATOM 63 C GLN A 5 -0.093 -2.006 -9.053 1.00 25.00 C ATOM 64 O GLN A 5 -0.488 -2.767 -9.925 1.00 25.00 O ATOM 65 CB GLN A 5 -1.476 -1.751 -6.983 1.00 25.00 C ATOM 66 CG GLN A 5 -1.877 -2.342 -5.629 1.00 25.00 C ATOM 67 CD GLN A 5 -2.636 -1.359 -4.758 1.00 25.00 C ATOM 68 OE1 GLN A 5 -2.280 -1.142 -3.600 1.00 25.00 O ATOM 69 NE2 GLN A 5 -3.661 -0.749 -5.297 1.00 25.00 N ATOM 0 H GLN A 5 0.766 -1.358 -6.036 1.00 25.00 H new ATOM 0 HA GLN A 5 -0.294 -3.478 -7.521 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.309 -0.680 -6.868 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.303 -1.872 -7.683 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.493 -3.226 -5.792 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.981 -2.671 -5.102 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.928 -0.954 -6.260 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.193 -0.069 -4.754 1.00 25.00 H new ATOM 78 N CYS A 6 0.481 -0.844 -9.325 1.00 25.00 N ATOM 79 CA CYS A 6 0.681 -0.407 -10.706 1.00 25.00 C ATOM 80 C CYS A 6 1.989 -0.931 -11.308 1.00 25.00 C ATOM 81 O CYS A 6 2.088 -1.099 -12.517 1.00 25.00 O ATOM 82 CB CYS A 6 0.681 1.122 -10.768 1.00 25.00 C ATOM 83 SG CYS A 6 -0.880 1.887 -10.211 1.00 25.00 S ATOM 0 H CYS A 6 0.815 -0.189 -8.618 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.141 -0.818 -11.292 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.498 1.500 -10.154 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.881 1.434 -11.793 1.00 25.00 H new ATOM 88 N CYS A 7 3.000 -1.143 -10.477 1.00 25.00 N ATOM 89 CA CYS A 7 4.327 -1.529 -10.961 1.00 25.00 C ATOM 90 C CYS A 7 4.419 -3.013 -11.310 1.00 25.00 C ATOM 91 O CYS A 7 4.830 -3.369 -12.408 1.00 25.00 O ATOM 92 CB CYS A 7 5.381 -1.198 -9.895 1.00 25.00 C ATOM 93 SG CYS A 7 7.112 -1.423 -10.421 1.00 25.00 S ATOM 0 H CYS A 7 2.931 -1.055 -9.463 1.00 25.00 H new ATOM 0 HA CYS A 7 4.510 -0.964 -11.875 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.245 -0.163 -9.581 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.199 -1.823 -9.021 1.00 25.00 H new ATOM 98 N THR A 8 4.091 -3.874 -10.355 1.00 25.00 N ATOM 99 CA THR A 8 4.249 -5.318 -10.544 1.00 25.00 C ATOM 100 C THR A 8 3.011 -5.936 -11.180 1.00 25.00 C ATOM 101 O THR A 8 3.074 -7.007 -11.780 1.00 25.00 O ATOM 102 CB THR A 8 4.606 -6.026 -9.203 1.00 25.00 C ATOM 103 OG1 THR A 8 5.320 -7.231 -9.477 1.00 25.00 O ATOM 104 CG2 THR A 8 3.378 -6.386 -8.369 1.00 25.00 C ATOM 0 H THR A 8 3.716 -3.604 -9.446 1.00 25.00 H new ATOM 0 HA THR A 8 5.081 -5.469 -11.232 1.00 25.00 H new ATOM 0 HB THR A 8 5.208 -5.320 -8.631 1.00 25.00 H new ATOM 0 HG1 THR A 8 5.546 -7.676 -8.634 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.694 -6.876 -7.448 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.825 -5.479 -8.126 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.737 -7.060 -8.937 1.00 25.00 H new ATOM 112 N SER A 9 1.891 -5.235 -11.075 1.00 25.00 N ATOM 113 CA SER A 9 0.633 -5.699 -11.645 1.00 25.00 C ATOM 114 C SER A 9 0.007 -4.530 -12.385 1.00 25.00 C ATOM 115 O SER A 9 0.719 -3.603 -12.744 1.00 25.00 O ATOM 116 CB SER A 9 -0.297 -6.231 -10.550 1.00 25.00 C ATOM 117 OG SER A 9 0.324 -7.291 -9.845 1.00 25.00 O ATOM 0 H SER A 9 1.828 -4.336 -10.597 1.00 25.00 H new ATOM 0 HA SER A 9 0.807 -6.525 -12.335 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.553 -5.427 -9.859 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.230 -6.579 -10.994 1.00 25.00 H new ATOM 0 HG SER A 9 -0.282 -7.619 -9.148 1.00 25.00 H new ATOM 123 N ILE A 10 -1.268 -4.611 -12.727 1.00 25.00 N ATOM 124 CA ILE A 10 -1.894 -3.573 -13.546 1.00 25.00 C ATOM 125 C ILE A 10 -3.031 -2.944 -12.762 1.00 25.00 C ATOM 126 O ILE A 10 -4.006 -3.607 -12.426 1.00 25.00 O ATOM 127 CB ILE A 10 -2.392 -4.137 -14.900 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.211 -4.855 -15.580 1.00 25.00 C ATOM 129 CG2 ILE A 10 -2.932 -2.990 -15.783 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.452 -5.390 -16.949 1.00 25.00 C ATOM 0 H ILE A 10 -1.889 -5.374 -12.456 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.151 -2.811 -13.780 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.207 -4.844 -14.747 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -0.373 -4.160 -15.629 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -0.902 -5.682 -14.941 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -3.280 -3.395 -16.733 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -3.760 -2.497 -15.273 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.137 -2.267 -15.966 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.546 -5.871 -17.316 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.262 -6.118 -16.918 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.725 -4.572 -17.616 1.00 25.00 H new ATOM 142 N CYS A 11 -2.881 -1.667 -12.449 1.00 25.00 N ATOM 143 CA CYS A 11 -3.905 -0.929 -11.728 1.00 25.00 C ATOM 144 C CYS A 11 -4.780 -0.217 -12.761 1.00 25.00 C ATOM 145 O CYS A 11 -4.342 0.046 -13.880 1.00 25.00 O ATOM 146 CB CYS A 11 -3.248 0.069 -10.773 1.00 25.00 C ATOM 147 SG CYS A 11 -2.238 1.329 -11.613 1.00 25.00 S ATOM 0 H CYS A 11 -2.055 -1.117 -12.685 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.521 -1.598 -11.128 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.024 0.567 -10.191 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.621 -0.476 -10.067 1.00 25.00 H new ATOM 152 N SER A 12 -6.025 0.058 -12.404 1.00 25.00 N ATOM 153 CA SER A 12 -6.956 0.705 -13.327 1.00 25.00 C ATOM 154 C SER A 12 -6.794 2.221 -13.274 1.00 25.00 C ATOM 155 O SER A 12 -6.184 2.757 -12.351 1.00 25.00 O ATOM 156 CB SER A 12 -8.390 0.327 -12.958 1.00 25.00 C ATOM 157 OG SER A 12 -8.716 0.806 -11.663 1.00 25.00 O ATOM 0 H SER A 12 -6.417 -0.154 -11.486 1.00 25.00 H new ATOM 0 HA SER A 12 -6.738 0.366 -14.340 1.00 25.00 H new ATOM 0 HB2 SER A 12 -9.081 0.744 -13.690 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.506 -0.756 -12.991 1.00 25.00 H new ATOM 0 HG SER A 12 -9.573 0.424 -11.379 1.00 25.00 H new ATOM 163 N LEU A 13 -7.384 2.919 -14.236 1.00 25.00 N ATOM 164 CA LEU A 13 -7.318 4.384 -14.279 1.00 25.00 C ATOM 165 C LEU A 13 -7.937 5.025 -13.034 1.00 25.00 C ATOM 166 O LEU A 13 -7.530 6.096 -12.611 1.00 25.00 O ATOM 167 CB LEU A 13 -7.998 4.910 -15.553 1.00 25.00 C ATOM 168 CG LEU A 13 -9.528 4.756 -15.664 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.248 6.036 -15.230 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.909 4.412 -17.100 1.00 25.00 C ATOM 0 H LEU A 13 -7.915 2.499 -14.999 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.265 4.665 -14.295 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.760 5.969 -15.647 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.547 4.405 -16.407 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.837 3.950 -14.999 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.325 5.896 -15.320 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.996 6.261 -14.194 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.936 6.863 -15.867 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.991 4.304 -17.173 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.578 5.209 -17.765 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.431 3.476 -17.389 1.00 25.00 H new ATOM 182 N TYR A 14 -8.894 4.345 -12.422 1.00 25.00 N ATOM 183 CA TYR A 14 -9.540 4.862 -11.222 1.00 25.00 C ATOM 184 C TYR A 14 -8.543 4.895 -10.074 1.00 25.00 C ATOM 185 O TYR A 14 -8.515 5.834 -9.291 1.00 25.00 O ATOM 186 CB TYR A 14 -10.727 3.978 -10.858 1.00 25.00 C ATOM 187 CG TYR A 14 -11.610 3.689 -12.046 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.477 4.673 -12.564 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.573 2.428 -12.675 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.294 4.403 -13.696 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.380 2.158 -13.813 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.229 3.150 -14.312 1.00 25.00 C ATOM 193 OH TYR A 14 -14.004 2.886 -15.411 1.00 25.00 O ATOM 0 H TYR A 14 -9.241 3.438 -12.733 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.895 5.875 -11.411 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.364 3.039 -10.441 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.315 4.465 -10.081 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.521 5.645 -12.095 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.923 1.657 -12.287 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.961 5.162 -14.078 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.338 1.190 -14.290 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.837 1.970 -15.717 1.00 25.00 H new ATOM 203 N GLN A 15 -7.693 3.881 -10.013 1.00 25.00 N ATOM 204 CA GLN A 15 -6.655 3.822 -8.992 1.00 25.00 C ATOM 205 C GLN A 15 -5.602 4.886 -9.280 1.00 25.00 C ATOM 206 O GLN A 15 -5.106 5.537 -8.372 1.00 25.00 O ATOM 207 CB GLN A 15 -6.001 2.445 -8.966 1.00 25.00 C ATOM 208 CG GLN A 15 -6.987 1.322 -8.694 1.00 25.00 C ATOM 209 CD GLN A 15 -6.435 0.306 -7.724 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.372 -0.264 -7.933 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.136 0.097 -6.644 1.00 25.00 N ATOM 0 H GLN A 15 -7.700 3.089 -10.656 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.110 4.006 -8.018 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.509 2.265 -9.922 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.225 2.432 -8.201 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.911 1.740 -8.294 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.240 0.827 -9.632 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.018 0.591 -6.505 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.803 -0.560 -5.939 1.00 25.00 H new ATOM 220 N LEU A 16 -5.295 5.082 -10.554 1.00 25.00 N ATOM 221 CA LEU A 16 -4.308 6.080 -10.968 1.00 25.00 C ATOM 222 C LEU A 16 -4.696 7.499 -10.543 1.00 25.00 C ATOM 223 O LEU A 16 -3.833 8.278 -10.167 1.00 25.00 O ATOM 224 CB LEU A 16 -4.060 6.009 -12.481 1.00 25.00 C ATOM 225 CG LEU A 16 -3.217 4.801 -12.937 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.217 4.669 -14.453 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.772 4.928 -12.459 1.00 25.00 C ATOM 0 H LEU A 16 -5.715 4.563 -11.325 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.379 5.839 -10.452 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.022 5.978 -12.993 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.560 6.924 -12.797 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.671 3.914 -12.496 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.614 3.808 -14.743 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.239 4.532 -14.806 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.798 5.572 -14.897 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.200 4.063 -12.795 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.331 5.836 -12.870 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.752 4.976 -11.370 1.00 25.00 H new ATOM 239 N GLU A 17 -5.979 7.831 -10.563 1.00 25.00 N ATOM 240 CA GLU A 17 -6.424 9.166 -10.128 1.00 25.00 C ATOM 241 C GLU A 17 -6.000 9.508 -8.692 1.00 25.00 C ATOM 242 O GLU A 17 -5.817 10.670 -8.367 1.00 25.00 O ATOM 243 CB GLU A 17 -7.948 9.295 -10.224 1.00 25.00 C ATOM 244 CG GLU A 17 -8.461 9.420 -11.643 1.00 25.00 C ATOM 245 CD GLU A 17 -9.912 9.797 -11.699 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.317 10.801 -12.231 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.694 8.931 -11.128 1.00 25.00 O ATOM 0 H GLU A 17 -6.728 7.211 -10.870 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.936 9.868 -10.804 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.407 8.424 -9.757 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.266 10.168 -9.654 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.874 10.170 -12.173 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.315 8.473 -12.163 1.00 25.00 H new ATOM 255 N ASN A 18 -5.809 8.500 -7.848 1.00 25.00 N ATOM 256 CA ASN A 18 -5.401 8.727 -6.454 1.00 25.00 C ATOM 257 C ASN A 18 -4.017 9.373 -6.336 1.00 25.00 C ATOM 258 O ASN A 18 -3.717 10.023 -5.342 1.00 25.00 O ATOM 259 CB ASN A 18 -5.424 7.422 -5.657 1.00 25.00 C ATOM 260 CG ASN A 18 -6.810 6.849 -5.526 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.745 7.532 -5.168 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.944 5.587 -5.824 1.00 25.00 N ATOM 0 H ASN A 18 -5.928 7.518 -8.098 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.128 9.424 -6.037 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.777 6.692 -6.144 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.013 7.600 -4.663 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.860 5.142 -5.760 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.133 5.044 -6.122 1.00 25.00 H new ATOM 269 N TYR A 19 -3.155 9.155 -7.323 1.00 25.00 N ATOM 270 CA TYR A 19 -1.815 9.755 -7.315 1.00 25.00 C ATOM 271 C TYR A 19 -1.926 11.274 -7.437 1.00 25.00 C ATOM 272 O TYR A 19 -1.074 12.011 -6.953 1.00 25.00 O ATOM 273 CB TYR A 19 -0.996 9.255 -8.505 1.00 25.00 C ATOM 274 CG TYR A 19 -0.442 7.854 -8.371 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.183 6.738 -8.801 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.848 7.640 -7.849 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.642 5.435 -8.728 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.393 6.333 -7.770 1.00 25.00 C ATOM 279 CZ TYR A 19 0.638 5.246 -8.220 1.00 25.00 C ATOM 280 OH TYR A 19 1.158 3.984 -8.164 1.00 25.00 O ATOM 0 H TYR A 19 -3.353 8.572 -8.136 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.329 9.475 -6.380 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.621 9.296 -9.397 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.165 9.942 -8.666 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.180 6.879 -9.192 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.430 8.482 -7.504 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.221 4.588 -9.066 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.383 6.179 -7.366 1.00 25.00 H new ATOM 0 HH TYR A 19 0.603 3.378 -8.697 1.00 25.00 H new ATOM 290 N CYS A 20 -2.994 11.736 -8.074 1.00 25.00 N ATOM 291 CA CYS A 20 -3.229 13.162 -8.285 1.00 25.00 C ATOM 292 C CYS A 20 -3.965 13.754 -7.080 1.00 25.00 C ATOM 293 O CYS A 20 -4.997 14.409 -7.199 1.00 25.00 O ATOM 294 CB CYS A 20 -4.053 13.337 -9.565 1.00 25.00 C ATOM 295 SG CYS A 20 -3.374 12.349 -10.939 1.00 25.00 S ATOM 0 H CYS A 20 -3.722 11.135 -8.459 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.280 13.688 -8.391 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.085 13.040 -9.378 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.070 14.390 -9.847 1.00 25.00 H new ATOM 300 N ASN A 21 -3.423 13.498 -5.886 1.00 25.00 N ATOM 301 CA ASN A 21 -4.023 13.941 -4.618 1.00 25.00 C ATOM 302 C ASN A 21 -3.905 15.461 -4.414 1.00 25.00 C ATOM 303 O ASN A 21 -3.091 16.003 -3.691 1.00 25.00 O ATOM 304 CB ASN A 21 -3.425 13.153 -3.429 1.00 25.00 C ATOM 305 CG ASN A 21 -4.167 13.488 -2.167 1.00 25.00 C ATOM 306 OD1 ASN A 21 -5.356 13.354 -2.041 1.00 25.00 O ATOM 307 ND2 ASN A 21 -3.434 13.945 -1.161 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.752 16.140 -5.130 1.00 25.00 O ATOM 0 H ASN A 21 -2.554 12.977 -5.768 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.090 13.724 -4.666 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.487 12.082 -3.624 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.369 13.396 -3.315 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.878 14.185 -0.274 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -2.426 14.057 -1.274 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.497 2.415 -22.243 1.00 25.00 N ATOM 318 CA PHE B 1 -7.192 2.314 -21.533 1.00 25.00 C ATOM 319 C PHE B 1 -6.423 1.110 -22.039 1.00 25.00 C ATOM 320 O PHE B 1 -7.041 0.123 -22.401 1.00 25.00 O ATOM 321 CB PHE B 1 -7.444 2.183 -20.024 1.00 25.00 C ATOM 322 CG PHE B 1 -6.215 2.400 -19.183 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.801 3.706 -18.851 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.467 1.305 -18.704 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.646 3.922 -18.062 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.312 1.508 -17.913 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.898 2.821 -17.598 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.241 2.680 -21.566 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.432 3.139 -22.987 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.731 1.497 -22.672 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.603 3.211 -21.723 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.207 2.903 -19.728 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.845 1.191 -19.817 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.372 4.552 -19.203 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.780 0.299 -18.944 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.339 4.928 -17.816 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.748 0.661 -17.551 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.011 2.981 -17.003 1.00 25.00 H new ATOM 339 N VAL B 2 -5.100 1.188 -22.097 1.00 25.00 N ATOM 340 CA VAL B 2 -4.285 0.063 -22.569 1.00 25.00 C ATOM 341 C VAL B 2 -3.589 -0.529 -21.358 1.00 25.00 C ATOM 342 O VAL B 2 -2.850 0.165 -20.665 1.00 25.00 O ATOM 343 CB VAL B 2 -3.220 0.517 -23.613 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.377 -0.679 -24.091 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.906 1.181 -24.821 1.00 25.00 C ATOM 0 H VAL B 2 -4.565 2.013 -21.825 1.00 25.00 H new ATOM 0 HA VAL B 2 -4.927 -0.668 -23.062 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.561 1.239 -23.131 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.641 -0.338 -24.819 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -1.865 -1.127 -23.239 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.028 -1.421 -24.554 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.151 1.493 -25.542 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.584 0.469 -25.291 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.470 2.052 -24.486 1.00 25.00 H new ATOM 355 N ASN B 3 -3.849 -1.797 -21.078 1.00 25.00 N ATOM 356 CA ASN B 3 -3.245 -2.434 -19.918 1.00 25.00 C ATOM 357 C ASN B 3 -1.790 -2.729 -20.164 1.00 25.00 C ATOM 358 O ASN B 3 -1.430 -3.369 -21.145 1.00 25.00 O ATOM 359 CB ASN B 3 -3.914 -3.762 -19.583 1.00 25.00 C ATOM 360 CG ASN B 3 -5.293 -3.587 -18.997 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.635 -2.527 -18.498 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.092 -4.616 -19.065 1.00 25.00 N ATOM 0 H ASN B 3 -4.464 -2.397 -21.628 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.371 -1.733 -19.093 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.982 -4.368 -20.486 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.290 -4.311 -18.877 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.040 -4.551 -18.693 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.769 -5.485 -19.490 1.00 25.00 H new ATOM 369 N GLN B 4 -0.969 -2.310 -19.225 1.00 25.00 N ATOM 370 CA GLN B 4 0.437 -2.634 -19.216 1.00 25.00 C ATOM 371 C GLN B 4 0.835 -2.411 -17.777 1.00 25.00 C ATOM 372 O GLN B 4 0.199 -1.632 -17.072 1.00 25.00 O ATOM 373 CB GLN B 4 1.226 -1.713 -20.162 1.00 25.00 C ATOM 374 CG GLN B 4 1.069 -0.229 -19.855 1.00 25.00 C ATOM 375 CD GLN B 4 1.777 0.651 -20.852 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.935 1.015 -20.672 1.00 25.00 O ATOM 377 NE2 GLN B 4 1.087 1.019 -21.898 1.00 25.00 N ATOM 0 H GLN B 4 -1.264 -1.729 -18.440 1.00 25.00 H new ATOM 0 HA GLN B 4 0.643 -3.647 -19.562 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.283 -1.975 -20.109 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.902 -1.898 -21.186 1.00 25.00 H new ATOM 0 HG2 GLN B 4 0.009 0.025 -19.842 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.458 -0.026 -18.857 1.00 25.00 H new ATOM 0 HE21 GLN B 4 0.126 0.697 -22.015 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.509 1.629 -22.598 1.00 25.00 H new ATOM 386 N HIS B 5 1.888 -3.071 -17.343 1.00 25.00 N ATOM 387 CA HIS B 5 2.477 -2.762 -16.040 1.00 25.00 C ATOM 388 C HIS B 5 3.095 -1.365 -16.153 1.00 25.00 C ATOM 389 O HIS B 5 3.664 -1.017 -17.188 1.00 25.00 O ATOM 390 CB HIS B 5 3.517 -3.816 -15.653 1.00 25.00 C ATOM 391 CG HIS B 5 2.926 -5.176 -15.448 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.863 -5.416 -14.602 1.00 25.00 N ATOM 393 CD2 HIS B 5 3.218 -6.387 -15.976 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.542 -6.703 -14.666 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.355 -7.303 -15.475 1.00 25.00 N ATOM 0 H HIS B 5 2.355 -3.817 -17.859 1.00 25.00 H new ATOM 0 HA HIS B 5 1.724 -2.775 -15.252 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.278 -3.870 -16.432 1.00 25.00 H new ATOM 0 HB3 HIS B 5 4.020 -3.503 -14.738 1.00 25.00 H new ATOM 0 HD2 HIS B 5 4.010 -6.590 -16.682 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.732 -7.174 -14.129 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.347 -8.298 -15.698 1.00 25.00 H new ATOM 404 N LEU B 6 2.915 -0.550 -15.125 1.00 25.00 N ATOM 405 CA LEU B 6 3.310 0.859 -15.160 1.00 25.00 C ATOM 406 C LEU B 6 4.210 1.209 -13.986 1.00 25.00 C ATOM 407 O LEU B 6 3.755 1.360 -12.858 1.00 25.00 O ATOM 408 CB LEU B 6 2.057 1.736 -15.100 1.00 25.00 C ATOM 409 CG LEU B 6 1.151 1.697 -16.338 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.196 2.308 -15.993 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.796 2.440 -17.515 1.00 25.00 C ATOM 0 H LEU B 6 2.493 -0.841 -14.243 1.00 25.00 H new ATOM 0 HA LEU B 6 3.859 1.035 -16.085 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.468 1.436 -14.233 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.367 2.768 -14.933 1.00 25.00 H new ATOM 0 HG LEU B 6 1.010 0.660 -16.641 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.843 2.282 -16.870 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.657 1.740 -15.185 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.056 3.341 -15.676 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.133 2.397 -18.379 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.966 3.481 -17.239 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.748 1.971 -17.764 1.00 25.00 H new ATOM 423 N CYS B 7 5.491 1.364 -14.266 1.00 25.00 N ATOM 424 CA CYS B 7 6.460 1.698 -13.236 1.00 25.00 C ATOM 425 C CYS B 7 7.437 2.724 -13.796 1.00 25.00 C ATOM 426 O CYS B 7 7.590 2.831 -15.015 1.00 25.00 O ATOM 427 CB CYS B 7 7.193 0.427 -12.807 1.00 25.00 C ATOM 428 SG CYS B 7 7.683 0.421 -11.055 1.00 25.00 S ATOM 0 H CYS B 7 5.886 1.264 -15.201 1.00 25.00 H new ATOM 0 HA CYS B 7 5.963 2.123 -12.364 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.552 -0.434 -12.999 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.083 0.306 -13.424 1.00 25.00 H new ATOM 433 N GLY B 8 8.085 3.486 -12.927 1.00 25.00 N ATOM 434 CA GLY B 8 9.043 4.480 -13.385 1.00 25.00 C ATOM 435 C GLY B 8 8.397 5.533 -14.266 1.00 25.00 C ATOM 436 O GLY B 8 7.280 5.976 -14.005 1.00 25.00 O ATOM 0 H GLY B 8 7.967 3.437 -11.915 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.504 4.962 -12.523 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.841 3.985 -13.938 1.00 25.00 H new ATOM 440 N SER B 9 9.078 5.899 -15.340 1.00 25.00 N ATOM 441 CA SER B 9 8.575 6.904 -16.276 1.00 25.00 C ATOM 442 C SER B 9 7.256 6.499 -16.935 1.00 25.00 C ATOM 443 O SER B 9 6.448 7.354 -17.273 1.00 25.00 O ATOM 444 CB SER B 9 9.623 7.145 -17.361 1.00 25.00 C ATOM 445 OG SER B 9 9.988 5.917 -17.969 1.00 25.00 O ATOM 0 H SER B 9 9.989 5.514 -15.591 1.00 25.00 H new ATOM 0 HA SER B 9 8.384 7.811 -15.703 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.228 7.829 -18.113 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.503 7.621 -16.928 1.00 25.00 H new ATOM 0 HG SER B 9 10.659 6.083 -18.664 1.00 25.00 H new ATOM 451 N HIS B 10 7.008 5.204 -17.093 1.00 25.00 N ATOM 452 CA HIS B 10 5.744 4.752 -17.686 1.00 25.00 C ATOM 453 C HIS B 10 4.570 5.137 -16.798 1.00 25.00 C ATOM 454 O HIS B 10 3.517 5.508 -17.290 1.00 25.00 O ATOM 455 CB HIS B 10 5.738 3.236 -17.899 1.00 25.00 C ATOM 456 CG HIS B 10 6.249 2.816 -19.240 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.479 2.109 -20.167 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.450 2.996 -19.855 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.205 1.898 -21.254 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.393 2.421 -21.088 1.00 25.00 N ATOM 0 H HIS B 10 7.649 4.457 -16.826 1.00 25.00 H new ATOM 0 HA HIS B 10 5.646 5.242 -18.655 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.345 2.767 -17.125 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.721 2.864 -17.775 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.515 1.805 -20.029 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.304 3.508 -19.436 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.870 1.376 -22.138 1.00 25.00 H new ATOM 469 N LEU B 11 4.762 5.066 -15.490 1.00 25.00 N ATOM 470 CA LEU B 11 3.702 5.416 -14.547 1.00 25.00 C ATOM 471 C LEU B 11 3.403 6.909 -14.639 1.00 25.00 C ATOM 472 O LEU B 11 2.251 7.316 -14.648 1.00 25.00 O ATOM 473 CB LEU B 11 4.127 5.022 -13.127 1.00 25.00 C ATOM 474 CG LEU B 11 3.108 5.187 -11.989 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.770 4.536 -12.297 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.695 4.550 -10.730 1.00 25.00 C ATOM 0 H LEU B 11 5.636 4.771 -15.055 1.00 25.00 H new ATOM 0 HA LEU B 11 2.791 4.871 -14.796 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.433 3.976 -13.150 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.010 5.607 -12.870 1.00 25.00 H new ATOM 0 HG LEU B 11 2.921 6.253 -11.855 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.091 4.685 -11.457 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.344 4.987 -13.193 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.914 3.468 -12.462 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.989 4.654 -9.906 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.886 3.492 -10.912 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.630 5.048 -10.472 1.00 25.00 H new ATOM 488 N VAL B 12 4.446 7.709 -14.779 1.00 25.00 N ATOM 489 CA VAL B 12 4.297 9.159 -14.931 1.00 25.00 C ATOM 490 C VAL B 12 3.540 9.487 -16.222 1.00 25.00 C ATOM 491 O VAL B 12 2.639 10.315 -16.232 1.00 25.00 O ATOM 492 CB VAL B 12 5.702 9.844 -14.945 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.584 11.353 -15.134 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.448 9.542 -13.634 1.00 25.00 C ATOM 0 H VAL B 12 5.413 7.384 -14.791 1.00 25.00 H new ATOM 0 HA VAL B 12 3.724 9.540 -14.085 1.00 25.00 H new ATOM 0 HB VAL B 12 6.263 9.439 -15.787 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.579 11.798 -15.139 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.088 11.563 -16.081 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.001 11.778 -14.317 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.426 10.023 -13.653 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.872 9.924 -12.791 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.576 8.465 -13.528 1.00 25.00 H new ATOM 504 N GLU B 13 3.874 8.801 -17.308 1.00 25.00 N ATOM 505 CA GLU B 13 3.207 9.027 -18.593 1.00 25.00 C ATOM 506 C GLU B 13 1.736 8.625 -18.534 1.00 25.00 C ATOM 507 O GLU B 13 0.890 9.221 -19.189 1.00 25.00 O ATOM 508 CB GLU B 13 3.910 8.236 -19.699 1.00 25.00 C ATOM 509 CG GLU B 13 5.260 8.823 -20.102 1.00 25.00 C ATOM 510 CD GLU B 13 5.134 10.195 -20.700 1.00 25.00 C ATOM 511 OE1 GLU B 13 4.485 10.428 -21.672 1.00 25.00 O ATOM 512 OE2 GLU B 13 5.789 11.104 -20.049 1.00 25.00 O ATOM 0 H GLU B 13 4.600 8.085 -17.329 1.00 25.00 H new ATOM 0 HA GLU B 13 3.263 10.093 -18.813 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.054 7.209 -19.365 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.263 8.198 -20.575 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.908 8.869 -19.227 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.741 8.160 -20.821 1.00 25.00 H new ATOM 520 N ALA B 14 1.421 7.622 -17.730 1.00 25.00 N ATOM 521 CA ALA B 14 0.040 7.189 -17.585 1.00 25.00 C ATOM 522 C ALA B 14 -0.763 8.250 -16.830 1.00 25.00 C ATOM 523 O ALA B 14 -1.911 8.521 -17.161 1.00 25.00 O ATOM 524 CB ALA B 14 -0.012 5.863 -16.851 1.00 25.00 C ATOM 0 H ALA B 14 2.095 7.097 -17.173 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.400 7.057 -18.574 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.049 5.545 -16.746 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.542 5.113 -17.415 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.434 5.976 -15.863 1.00 25.00 H new ATOM 530 N LEU B 15 -0.149 8.846 -15.821 1.00 25.00 N ATOM 531 CA LEU B 15 -0.816 9.860 -15.013 1.00 25.00 C ATOM 532 C LEU B 15 -1.145 11.111 -15.820 1.00 25.00 C ATOM 533 O LEU B 15 -2.194 11.720 -15.606 1.00 25.00 O ATOM 534 CB LEU B 15 0.048 10.224 -13.804 1.00 25.00 C ATOM 535 CG LEU B 15 0.135 9.158 -12.698 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.171 9.537 -11.643 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.213 8.975 -12.053 1.00 25.00 C ATOM 0 H LEU B 15 0.811 8.647 -15.540 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.759 9.435 -14.670 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.057 10.440 -14.154 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.341 11.143 -13.367 1.00 25.00 H new ATOM 0 HG LEU B 15 0.448 8.220 -13.157 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.208 8.764 -10.876 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.150 9.631 -12.112 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.895 10.488 -11.187 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.143 8.219 -11.271 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.539 9.919 -11.616 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.935 8.654 -12.804 1.00 25.00 H new ATOM 549 N TYR B 16 -0.304 11.441 -16.797 1.00 25.00 N ATOM 550 CA TYR B 16 -0.587 12.560 -17.703 1.00 25.00 C ATOM 551 C TYR B 16 -1.931 12.355 -18.384 1.00 25.00 C ATOM 552 O TYR B 16 -2.717 13.279 -18.512 1.00 25.00 O ATOM 553 CB TYR B 16 0.483 12.678 -18.799 1.00 25.00 C ATOM 554 CG TYR B 16 1.641 13.584 -18.452 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.494 14.986 -18.498 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.897 13.052 -18.097 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.583 15.843 -18.183 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.990 13.907 -17.789 1.00 25.00 C ATOM 559 CZ TYR B 16 3.818 15.294 -17.834 1.00 25.00 C ATOM 560 OH TYR B 16 4.868 16.125 -17.539 1.00 25.00 O ATOM 0 H TYR B 16 0.574 10.956 -16.984 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.593 13.469 -17.101 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.870 11.683 -19.019 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.012 13.045 -19.711 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.542 15.414 -18.776 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.031 11.981 -18.059 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.456 16.915 -18.214 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.949 13.487 -17.522 1.00 25.00 H new ATOM 0 HH TYR B 16 5.657 15.588 -17.315 1.00 25.00 H new ATOM 570 N LEU B 17 -2.193 11.138 -18.836 1.00 25.00 N ATOM 571 CA LEU B 17 -3.444 10.844 -19.526 1.00 25.00 C ATOM 572 C LEU B 17 -4.653 10.828 -18.598 1.00 25.00 C ATOM 573 O LEU B 17 -5.723 11.304 -18.951 1.00 25.00 O ATOM 574 CB LEU B 17 -3.367 9.476 -20.195 1.00 25.00 C ATOM 575 CG LEU B 17 -2.285 9.274 -21.266 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.236 7.794 -21.654 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.548 10.131 -22.505 1.00 25.00 C ATOM 0 H LEU B 17 -1.563 10.342 -18.740 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.574 11.644 -20.255 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.214 8.728 -19.417 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.335 9.269 -20.651 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.327 9.586 -20.850 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.470 7.642 -22.414 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.998 7.195 -20.775 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.205 7.489 -22.049 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.761 9.960 -23.239 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.512 9.861 -22.936 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.559 11.184 -22.223 1.00 25.00 H new ATOM 589 N VAL B 18 -4.499 10.195 -17.443 1.00 25.00 N ATOM 590 CA VAL B 18 -5.630 9.963 -16.542 1.00 25.00 C ATOM 591 C VAL B 18 -6.081 11.247 -15.862 1.00 25.00 C ATOM 592 O VAL B 18 -7.277 11.520 -15.754 1.00 25.00 O ATOM 593 CB VAL B 18 -5.255 8.905 -15.468 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.365 8.734 -14.436 1.00 25.00 C ATOM 595 CG2 VAL B 18 -4.987 7.567 -16.142 1.00 25.00 C ATOM 0 H VAL B 18 -3.608 9.833 -17.105 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.458 9.592 -17.146 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.361 9.255 -14.952 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.067 7.986 -13.701 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.545 9.685 -13.934 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.278 8.409 -14.934 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.724 6.826 -15.387 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.881 7.242 -16.674 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.164 7.674 -16.848 1.00 25.00 H new ATOM 605 N CYS B 19 -5.132 12.040 -15.404 1.00 25.00 N ATOM 606 CA CYS B 19 -5.478 13.282 -14.727 1.00 25.00 C ATOM 607 C CYS B 19 -5.540 14.442 -15.721 1.00 25.00 C ATOM 608 O CYS B 19 -6.156 15.476 -15.437 1.00 25.00 O ATOM 609 CB CYS B 19 -4.540 13.515 -13.547 1.00 25.00 C ATOM 610 SG CYS B 19 -4.876 12.229 -12.290 1.00 25.00 S ATOM 0 H CYS B 19 -4.132 11.855 -15.484 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.481 13.210 -14.305 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.501 13.467 -13.872 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.697 14.508 -13.127 1.00 25.00 H new ATOM 615 N GLY B 20 -5.034 14.228 -16.928 1.00 25.00 N ATOM 616 CA GLY B 20 -5.198 15.209 -17.986 1.00 25.00 C ATOM 617 C GLY B 20 -4.548 16.548 -17.705 1.00 25.00 C ATOM 618 O GLY B 20 -3.530 16.653 -17.023 1.00 25.00 O ATOM 0 H GLY B 20 -4.513 13.393 -17.195 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.782 14.803 -18.908 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.263 15.365 -18.158 1.00 25.00 H new ATOM 622 N GLU B 21 -5.180 17.595 -18.221 1.00 25.00 N ATOM 623 CA GLU B 21 -4.689 18.971 -18.087 1.00 25.00 C ATOM 624 C GLU B 21 -4.730 19.501 -16.648 1.00 25.00 C ATOM 625 O GLU B 21 -4.232 20.584 -16.376 1.00 25.00 O ATOM 626 CB GLU B 21 -5.524 19.895 -18.978 1.00 25.00 C ATOM 627 CG GLU B 21 -5.405 19.588 -20.470 1.00 25.00 C ATOM 628 CD GLU B 21 -6.323 20.433 -21.303 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.390 20.066 -21.694 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.865 21.607 -21.551 1.00 25.00 O ATOM 0 H GLU B 21 -6.051 17.519 -18.747 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.643 18.958 -18.393 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.571 19.819 -18.684 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.218 20.926 -18.803 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.376 19.750 -20.790 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.630 18.535 -20.641 1.00 25.00 H new ATOM 638 N ARG B 22 -5.309 18.735 -15.727 1.00 25.00 N ATOM 639 CA ARG B 22 -5.356 19.134 -14.315 1.00 25.00 C ATOM 640 C ARG B 22 -3.971 19.043 -13.687 1.00 25.00 C ATOM 641 O ARG B 22 -3.700 19.670 -12.672 1.00 25.00 O ATOM 642 CB ARG B 22 -6.314 18.234 -13.531 1.00 25.00 C ATOM 643 CG ARG B 22 -7.770 18.360 -13.971 1.00 25.00 C ATOM 644 CD ARG B 22 -8.673 17.378 -13.226 1.00 25.00 C ATOM 645 NE ARG B 22 -8.472 15.990 -13.681 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.150 14.933 -13.239 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.068 15.032 -12.309 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.915 13.754 -13.745 1.00 25.00 N ATOM 0 H ARG B 22 -5.751 17.838 -15.927 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.709 20.164 -14.273 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.998 17.197 -13.643 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.241 18.477 -12.471 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.116 19.378 -13.795 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.843 18.180 -15.043 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.473 17.442 -12.156 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.715 17.661 -13.373 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.757 15.827 -14.390 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.283 15.941 -11.899 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.568 14.200 -11.995 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.213 13.644 -14.477 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.433 12.942 -13.408 1.00 25.00 H new ATOM 662 N GLY B 23 -3.106 18.241 -14.293 1.00 25.00 N ATOM 663 CA GLY B 23 -1.779 18.027 -13.750 1.00 25.00 C ATOM 664 C GLY B 23 -1.820 16.971 -12.664 1.00 25.00 C ATOM 665 O GLY B 23 -2.885 16.448 -12.335 1.00 25.00 O ATOM 0 H GLY B 23 -3.301 17.732 -15.155 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.100 17.716 -14.544 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.390 18.961 -13.344 1.00 25.00 H new ATOM 669 N PHE B 24 -0.652 16.623 -12.144 1.00 25.00 N ATOM 670 CA PHE B 24 -0.517 15.581 -11.132 1.00 25.00 C ATOM 671 C PHE B 24 0.888 15.682 -10.563 1.00 25.00 C ATOM 672 O PHE B 24 1.706 16.444 -11.075 1.00 25.00 O ATOM 673 CB PHE B 24 -0.697 14.196 -11.759 1.00 25.00 C ATOM 674 CG PHE B 24 0.379 13.830 -12.731 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.330 14.287 -14.055 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.454 13.023 -12.326 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.346 13.955 -14.964 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.470 12.671 -13.228 1.00 25.00 C ATOM 679 CZ PHE B 24 2.418 13.143 -14.555 1.00 25.00 C ATOM 0 H PHE B 24 0.232 17.055 -12.412 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.275 15.712 -10.359 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.727 13.449 -10.966 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.661 14.160 -12.267 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.498 14.901 -14.379 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.500 12.668 -11.307 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.304 14.323 -15.978 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.287 12.042 -12.907 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.198 12.882 -15.255 1.00 25.00 H new ATOM 689 N PHE B 25 1.193 14.851 -9.578 1.00 25.00 N ATOM 690 CA PHE B 25 2.551 14.714 -9.077 1.00 25.00 C ATOM 691 C PHE B 25 2.786 13.224 -8.879 1.00 25.00 C ATOM 692 O PHE B 25 1.841 12.437 -8.883 1.00 25.00 O ATOM 693 CB PHE B 25 2.738 15.479 -7.760 1.00 25.00 C ATOM 694 CG PHE B 25 1.923 14.934 -6.620 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.620 15.408 -6.380 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.459 13.950 -5.763 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.145 14.909 -5.302 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.701 13.435 -4.685 1.00 25.00 C ATOM 699 CZ PHE B 25 0.398 13.919 -4.453 1.00 25.00 C ATOM 0 H PHE B 25 0.511 14.257 -9.107 1.00 25.00 H new ATOM 0 HA PHE B 25 3.269 15.136 -9.780 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.792 15.456 -7.484 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.472 16.524 -7.917 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.199 16.163 -7.028 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.461 13.585 -5.932 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.143 15.284 -5.127 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.119 12.674 -4.043 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.184 13.534 -3.629 1.00 25.00 H new ATOM 709 N TYR B 26 4.038 12.831 -8.714 1.00 25.00 N ATOM 710 CA TYR B 26 4.382 11.437 -8.481 1.00 25.00 C ATOM 711 C TYR B 26 5.564 11.411 -7.530 1.00 25.00 C ATOM 712 O TYR B 26 6.438 12.266 -7.611 1.00 25.00 O ATOM 713 CB TYR B 26 4.750 10.741 -9.797 1.00 25.00 C ATOM 714 CG TYR B 26 5.311 9.351 -9.582 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.531 8.342 -8.984 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.640 9.046 -9.946 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.071 7.054 -8.740 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.177 7.752 -9.717 1.00 25.00 C ATOM 719 CZ TYR B 26 6.390 6.773 -9.112 1.00 25.00 C ATOM 720 OH TYR B 26 6.911 5.525 -8.878 1.00 25.00 O ATOM 0 H TYR B 26 4.839 13.462 -8.737 1.00 25.00 H new ATOM 0 HA TYR B 26 3.530 10.907 -8.055 1.00 25.00 H new ATOM 0 HB2 TYR B 26 3.865 10.678 -10.430 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.482 11.346 -10.332 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.508 8.552 -8.708 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.256 9.806 -10.404 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.467 6.293 -8.269 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.192 7.527 -10.010 1.00 25.00 H new ATOM 0 HH TYR B 26 7.837 5.492 -9.196 1.00 25.00 H new ATOM 730 N THR B 27 5.582 10.439 -6.632 1.00 25.00 N ATOM 731 CA THR B 27 6.659 10.282 -5.662 1.00 25.00 C ATOM 732 C THR B 27 7.568 9.102 -6.043 1.00 25.00 C ATOM 733 O THR B 27 7.263 7.940 -5.744 1.00 25.00 O ATOM 734 CB THR B 27 6.070 10.048 -4.265 1.00 25.00 C ATOM 735 OG1 THR B 27 4.940 9.172 -4.369 1.00 25.00 O ATOM 736 CG2 THR B 27 5.580 11.355 -3.662 1.00 25.00 C ATOM 0 H THR B 27 4.849 9.734 -6.553 1.00 25.00 H new ATOM 0 HA THR B 27 7.256 11.194 -5.659 1.00 25.00 H new ATOM 0 HB THR B 27 6.849 9.618 -3.636 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.193 8.369 -4.871 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.166 11.166 -2.671 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.413 12.053 -3.580 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.809 11.784 -4.302 1.00 25.00 H new ATOM 744 N PRO B 28 8.686 9.376 -6.740 1.00 25.00 N ATOM 745 CA PRO B 28 9.555 8.246 -7.076 1.00 25.00 C ATOM 746 C PRO B 28 10.330 7.733 -5.866 1.00 25.00 C ATOM 747 O PRO B 28 10.606 8.475 -4.926 1.00 25.00 O ATOM 748 CB PRO B 28 10.504 8.847 -8.117 1.00 25.00 C ATOM 749 CG PRO B 28 10.621 10.266 -7.712 1.00 25.00 C ATOM 750 CD PRO B 28 9.241 10.648 -7.246 1.00 25.00 C ATOM 0 HA PRO B 28 8.997 7.381 -7.434 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.473 8.348 -8.110 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.103 8.751 -9.126 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.356 10.391 -6.917 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.944 10.890 -8.545 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.276 11.409 -6.467 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.640 11.053 -8.060 1.00 25.00 H new ATOM 758 N LYS B 29 10.704 6.463 -5.900 1.00 25.00 N ATOM 759 CA LYS B 29 11.509 5.882 -4.828 1.00 25.00 C ATOM 760 C LYS B 29 12.975 6.128 -5.147 1.00 25.00 C ATOM 761 O LYS B 29 13.593 5.358 -5.875 1.00 25.00 O ATOM 762 CB LYS B 29 11.266 4.376 -4.709 1.00 25.00 C ATOM 763 CG LYS B 29 9.828 3.999 -4.363 1.00 25.00 C ATOM 764 CD LYS B 29 9.679 2.499 -4.024 1.00 25.00 C ATOM 765 CE LYS B 29 9.924 1.568 -5.233 1.00 25.00 C ATOM 766 NZ LYS B 29 11.384 1.202 -5.428 1.00 25.00 N ATOM 0 H LYS B 29 10.467 5.816 -6.652 1.00 25.00 H new ATOM 0 HA LYS B 29 11.231 6.346 -3.882 1.00 25.00 H new ATOM 0 HB2 LYS B 29 11.538 3.900 -5.651 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.930 3.972 -3.945 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.493 4.596 -3.515 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.178 4.245 -5.203 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.380 2.242 -3.230 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.677 2.320 -3.635 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.343 0.655 -5.102 1.00 25.00 H new ATOM 0 HE3 LYS B 29 9.555 2.054 -6.136 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 11.659 1.386 -6.414 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 11.974 1.775 -4.791 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 11.521 0.194 -5.213 1.00 25.00 H new ATOM 780 N THR B 30 13.516 7.225 -4.640 1.00 25.00 N ATOM 781 CA THR B 30 14.909 7.605 -4.890 1.00 25.00 C ATOM 782 C THR B 30 15.910 6.890 -3.984 1.00 25.00 C ATOM 783 O THR B 30 17.051 6.660 -4.298 1.00 25.00 O ATOM 784 CB THR B 30 15.060 9.126 -4.758 1.00 25.00 C ATOM 785 OG1 THR B 30 14.318 9.538 -3.616 1.00 25.00 O ATOM 786 CG2 THR B 30 14.455 9.844 -5.975 1.00 25.00 C ATOM 787 OXT THR B 30 15.455 6.544 -2.819 1.00 25.00 O ATOM 0 H THR B 30 13.008 7.879 -4.044 1.00 25.00 H new ATOM 0 HA THR B 30 15.145 7.289 -5.906 1.00 25.00 H new ATOM 0 HB THR B 30 16.119 9.371 -4.679 1.00 25.00 H new ATOM 0 HG1 THR B 30 14.398 10.509 -3.506 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.574 10.921 -5.858 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.966 9.518 -6.881 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.395 9.602 -6.050 1.00 25.00 H new TER 796 THR B 30