USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Set 1.1: A 15 GLN : amide:sc= 0.585 K(o=1.2,f=-0.28) USER MOD Set 1.2: A 19 TYR OH : rot -171:sc= 0.661 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.024 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0935 X(o=-0.093,f=-0.097) USER MOD Single : A 8 THR OG1 : rot -176:sc= -0.359 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00575 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00544 X(o=-0.0054,f=0) USER MOD Single : A 21 ASN : amide:sc=-0.00736 K(o=-0.0074,f=-1.3) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.9) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.54) USER MOD Single : B 9 SER OG : rot 180:sc= 0.12 USER MOD Single : B 10 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.18) 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= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.575 2.806 -0.920 1.00 25.00 N ATOM 2 CA GLY A 1 4.478 1.446 -1.539 1.00 25.00 C ATOM 3 C GLY A 1 3.252 1.247 -2.402 1.00 25.00 C ATOM 4 O GLY A 1 2.471 2.125 -2.630 1.00 25.00 O ATOM 0 H1 GLY A 1 5.450 3.270 -1.237 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.755 3.378 -1.208 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.587 2.716 0.116 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.368 1.269 -2.144 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.477 0.697 -0.747 1.00 25.00 H new ATOM 9 N ILE A 2 3.120 0.005 -2.907 1.00 25.00 N ATOM 10 CA ILE A 2 1.992 -0.397 -3.780 1.00 25.00 C ATOM 11 C ILE A 2 1.891 -1.932 -3.890 1.00 25.00 C ATOM 12 O ILE A 2 0.812 -2.509 -3.886 1.00 25.00 O ATOM 13 CB ILE A 2 2.141 0.230 -5.234 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.047 -0.280 -6.195 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.542 -0.083 -5.854 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.350 0.245 -5.892 1.00 25.00 C ATOM 0 H ILE A 2 3.786 -0.746 -2.725 1.00 25.00 H new ATOM 0 HA ILE A 2 1.079 -0.016 -3.322 1.00 25.00 H new ATOM 0 HB ILE A 2 2.032 1.308 -5.112 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.315 0.001 -7.213 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.028 -1.369 -6.160 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.608 0.361 -6.847 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.323 0.334 -5.218 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.673 -1.162 -5.930 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.057 -0.163 -6.615 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.643 -0.059 -4.887 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.352 1.333 -5.957 1.00 25.00 H new ATOM 28 N VAL A 3 3.036 -2.590 -3.933 1.00 25.00 N ATOM 29 CA VAL A 3 3.100 -4.037 -4.147 1.00 25.00 C ATOM 30 C VAL A 3 2.367 -4.814 -3.052 1.00 25.00 C ATOM 31 O VAL A 3 1.556 -5.672 -3.347 1.00 25.00 O ATOM 32 CB VAL A 3 4.582 -4.500 -4.214 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.686 -6.033 -4.368 1.00 25.00 C ATOM 34 CG2 VAL A 3 5.291 -3.802 -5.386 1.00 25.00 C ATOM 0 H VAL A 3 3.947 -2.145 -3.822 1.00 25.00 H new ATOM 0 HA VAL A 3 2.602 -4.248 -5.093 1.00 25.00 H new ATOM 0 HB VAL A 3 5.068 -4.225 -3.278 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.736 -6.324 -4.412 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.210 -6.517 -3.515 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.185 -6.341 -5.286 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.330 -4.129 -5.430 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.790 -4.059 -6.319 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.256 -2.722 -5.241 1.00 25.00 H new ATOM 44 N GLU A 4 2.621 -4.502 -1.789 1.00 25.00 N ATOM 45 CA GLU A 4 1.989 -5.246 -0.694 1.00 25.00 C ATOM 46 C GLU A 4 0.555 -4.808 -0.419 1.00 25.00 C ATOM 47 O GLU A 4 -0.033 -5.177 0.576 1.00 25.00 O ATOM 48 CB GLU A 4 2.846 -5.149 0.564 1.00 25.00 C ATOM 49 CG GLU A 4 4.163 -5.900 0.438 1.00 25.00 C ATOM 50 CD GLU A 4 4.999 -5.800 1.688 1.00 25.00 C ATOM 51 OE1 GLU A 4 5.969 -5.094 1.785 1.00 25.00 O ATOM 52 OE2 GLU A 4 4.583 -6.550 2.647 1.00 25.00 O ATOM 0 H GLU A 4 3.248 -3.753 -1.494 1.00 25.00 H new ATOM 0 HA GLU A 4 1.926 -6.288 -1.008 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.050 -4.100 0.779 1.00 25.00 H new ATOM 0 HB3 GLU A 4 2.286 -5.545 1.411 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.961 -6.949 0.221 1.00 25.00 H new ATOM 0 HG3 GLU A 4 4.726 -5.502 -0.406 1.00 25.00 H new ATOM 60 N GLN A 5 -0.011 -4.048 -1.338 1.00 25.00 N ATOM 61 CA GLN A 5 -1.416 -3.660 -1.262 1.00 25.00 C ATOM 62 C GLN A 5 -2.190 -4.273 -2.425 1.00 25.00 C ATOM 63 O GLN A 5 -3.246 -4.849 -2.224 1.00 25.00 O ATOM 64 CB GLN A 5 -1.544 -2.136 -1.268 1.00 25.00 C ATOM 65 CG GLN A 5 -1.073 -1.489 0.030 1.00 25.00 C ATOM 66 CD GLN A 5 -2.030 -1.766 1.181 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.185 -1.379 1.140 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.563 -2.437 2.197 1.00 25.00 N ATOM 0 H GLN A 5 0.481 -3.682 -2.153 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.839 -4.035 -0.330 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.965 -1.732 -2.099 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.585 -1.866 -1.444 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.081 -1.864 0.284 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.980 -0.413 -0.114 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.591 -2.747 2.200 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.170 -2.652 2.988 1.00 25.00 H new ATOM 77 N CYS A 6 -1.651 -4.195 -3.629 1.00 25.00 N ATOM 78 CA CYS A 6 -2.338 -4.759 -4.788 1.00 25.00 C ATOM 79 C CYS A 6 -1.931 -6.183 -5.142 1.00 25.00 C ATOM 80 O CYS A 6 -2.763 -6.972 -5.575 1.00 25.00 O ATOM 81 CB CYS A 6 -2.108 -3.857 -5.998 1.00 25.00 C ATOM 82 SG CYS A 6 -3.151 -2.367 -6.032 1.00 25.00 S ATOM 0 H CYS A 6 -0.754 -3.755 -3.833 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.392 -4.809 -4.513 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.061 -3.554 -6.016 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.289 -4.433 -6.905 1.00 25.00 H new ATOM 87 N CYS A 7 -0.664 -6.532 -4.970 1.00 25.00 N ATOM 88 CA CYS A 7 -0.202 -7.872 -5.339 1.00 25.00 C ATOM 89 C CYS A 7 -0.579 -8.841 -4.215 1.00 25.00 C ATOM 90 O CYS A 7 -0.773 -10.025 -4.433 1.00 25.00 O ATOM 91 CB CYS A 7 1.319 -7.871 -5.551 1.00 25.00 C ATOM 92 SG CYS A 7 1.959 -9.314 -6.456 1.00 25.00 S ATOM 0 H CYS A 7 0.056 -5.921 -4.584 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.673 -8.183 -6.271 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.596 -6.967 -6.093 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.808 -7.823 -4.578 1.00 25.00 H new ATOM 97 N THR A 8 -0.692 -8.304 -3.006 1.00 25.00 N ATOM 98 CA THR A 8 -1.001 -9.105 -1.821 1.00 25.00 C ATOM 99 C THR A 8 -2.491 -9.092 -1.458 1.00 25.00 C ATOM 100 O THR A 8 -3.063 -10.140 -1.166 1.00 25.00 O ATOM 101 CB THR A 8 -0.177 -8.586 -0.627 1.00 25.00 C ATOM 102 OG1 THR A 8 1.199 -8.542 -1.017 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.301 -9.497 0.585 1.00 25.00 C ATOM 0 H THR A 8 -0.574 -7.309 -2.817 1.00 25.00 H new ATOM 0 HA THR A 8 -0.740 -10.137 -2.054 1.00 25.00 H new ATOM 0 HB THR A 8 -0.553 -7.600 -0.354 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.748 -8.273 -0.251 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.295 -9.095 1.405 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.346 -9.556 0.891 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.059 -10.494 0.329 1.00 25.00 H new ATOM 111 N SER A 9 -3.127 -7.938 -1.518 1.00 25.00 N ATOM 112 CA SER A 9 -4.544 -7.812 -1.166 1.00 25.00 C ATOM 113 C SER A 9 -5.357 -7.401 -2.385 1.00 25.00 C ATOM 114 O SER A 9 -4.819 -7.305 -3.478 1.00 25.00 O ATOM 115 CB SER A 9 -4.721 -6.777 -0.064 1.00 25.00 C ATOM 116 OG SER A 9 -3.752 -6.958 0.943 1.00 25.00 O ATOM 0 H SER A 9 -2.689 -7.064 -1.808 1.00 25.00 H new ATOM 0 HA SER A 9 -4.898 -8.780 -0.811 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.637 -5.774 -0.482 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.720 -6.861 0.365 1.00 25.00 H new ATOM 0 HG SER A 9 -3.878 -6.284 1.643 1.00 25.00 H new ATOM 122 N ILE A 10 -6.647 -7.189 -2.206 1.00 25.00 N ATOM 123 CA ILE A 10 -7.507 -6.751 -3.296 1.00 25.00 C ATOM 124 C ILE A 10 -7.486 -5.229 -3.310 1.00 25.00 C ATOM 125 O ILE A 10 -7.722 -4.601 -2.276 1.00 25.00 O ATOM 126 CB ILE A 10 -8.980 -7.235 -3.092 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.064 -8.767 -3.078 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.907 -6.667 -4.191 1.00 25.00 C ATOM 129 CD1 ILE A 10 -8.728 -9.465 -4.407 1.00 25.00 C ATOM 0 H ILE A 10 -7.126 -7.313 -1.314 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.143 -7.171 -4.234 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.314 -6.861 -2.124 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.388 -9.143 -2.310 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.073 -9.055 -2.783 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.925 -7.019 -4.026 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.889 -5.578 -4.155 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.561 -7.003 -5.168 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -8.819 -10.544 -4.284 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.419 -9.128 -5.180 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.708 -9.218 -4.700 1.00 25.00 H new ATOM 141 N CYS A 11 -7.247 -4.637 -4.470 1.00 25.00 N ATOM 142 CA CYS A 11 -7.287 -3.184 -4.600 1.00 25.00 C ATOM 143 C CYS A 11 -8.188 -2.777 -5.778 1.00 25.00 C ATOM 144 O CYS A 11 -8.392 -3.553 -6.713 1.00 25.00 O ATOM 145 CB CYS A 11 -5.869 -2.628 -4.756 1.00 25.00 C ATOM 146 SG CYS A 11 -5.022 -3.113 -6.288 1.00 25.00 S ATOM 0 H CYS A 11 -7.024 -5.135 -5.332 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.715 -2.756 -3.694 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.914 -1.540 -4.712 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.270 -2.957 -3.907 1.00 25.00 H new ATOM 151 N SER A 12 -8.768 -1.590 -5.696 1.00 25.00 N ATOM 152 CA SER A 12 -9.733 -1.114 -6.704 1.00 25.00 C ATOM 153 C SER A 12 -9.201 0.174 -7.302 1.00 25.00 C ATOM 154 O SER A 12 -8.293 0.759 -6.738 1.00 25.00 O ATOM 155 CB SER A 12 -11.076 -0.837 -6.024 1.00 25.00 C ATOM 156 OG SER A 12 -12.078 -0.507 -6.965 1.00 25.00 O ATOM 0 H SER A 12 -8.593 -0.927 -4.941 1.00 25.00 H new ATOM 0 HA SER A 12 -9.869 -1.865 -7.482 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.385 -1.715 -5.456 1.00 25.00 H new ATOM 0 HB3 SER A 12 -10.962 -0.020 -5.312 1.00 25.00 H new ATOM 0 HG SER A 12 -12.923 -0.338 -6.498 1.00 25.00 H new ATOM 162 N LEU A 13 -9.801 0.654 -8.392 1.00 25.00 N ATOM 163 CA LEU A 13 -9.394 1.919 -9.022 1.00 25.00 C ATOM 164 C LEU A 13 -9.427 3.089 -8.036 1.00 25.00 C ATOM 165 O LEU A 13 -8.579 3.989 -8.071 1.00 25.00 O ATOM 166 CB LEU A 13 -10.269 2.231 -10.242 1.00 25.00 C ATOM 167 CG LEU A 13 -11.775 2.510 -10.052 1.00 25.00 C ATOM 168 CD1 LEU A 13 -12.247 3.491 -11.112 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.607 1.223 -10.138 1.00 25.00 C ATOM 0 H LEU A 13 -10.575 0.185 -8.862 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.363 1.791 -9.351 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.837 3.100 -10.739 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.178 1.392 -10.931 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.915 2.934 -9.058 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -13.311 3.688 -10.978 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.691 4.424 -11.018 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -12.079 3.066 -12.102 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.661 1.461 -9.999 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.465 0.762 -11.116 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.286 0.530 -9.360 1.00 25.00 H new ATOM 181 N TYR A 14 -10.379 3.025 -7.116 1.00 25.00 N ATOM 182 CA TYR A 14 -10.522 4.028 -6.071 1.00 25.00 C ATOM 183 C TYR A 14 -9.250 4.140 -5.244 1.00 25.00 C ATOM 184 O TYR A 14 -8.769 5.236 -4.963 1.00 25.00 O ATOM 185 CB TYR A 14 -11.682 3.612 -5.169 1.00 25.00 C ATOM 186 CG TYR A 14 -11.901 4.546 -4.013 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.636 5.728 -4.190 1.00 25.00 C ATOM 188 CD2 TYR A 14 -11.375 4.260 -2.735 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.857 6.615 -3.101 1.00 25.00 C ATOM 190 CE2 TYR A 14 -11.603 5.145 -1.638 1.00 25.00 C ATOM 191 CZ TYR A 14 -12.339 6.303 -1.841 1.00 25.00 C ATOM 192 OH TYR A 14 -12.558 7.153 -0.788 1.00 25.00 O ATOM 0 H TYR A 14 -11.072 2.278 -7.073 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.713 5.000 -6.527 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.594 3.560 -5.763 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.494 2.609 -4.786 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -13.038 5.967 -5.164 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.794 3.362 -2.585 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.422 7.524 -3.247 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.206 4.915 -0.660 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.133 6.792 0.018 1.00 25.00 H new ATOM 202 N GLN A 15 -8.688 2.996 -4.889 1.00 25.00 N ATOM 203 CA GLN A 15 -7.462 2.972 -4.116 1.00 25.00 C ATOM 204 C GLN A 15 -6.289 3.336 -5.018 1.00 25.00 C ATOM 205 O GLN A 15 -5.417 4.102 -4.614 1.00 25.00 O ATOM 206 CB GLN A 15 -7.240 1.581 -3.521 1.00 25.00 C ATOM 207 CG GLN A 15 -6.317 1.593 -2.329 1.00 25.00 C ATOM 208 CD GLN A 15 -5.888 0.210 -1.953 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.937 -0.317 -2.508 1.00 25.00 O ATOM 210 NE2 GLN A 15 -6.589 -0.394 -1.029 1.00 25.00 N ATOM 0 H GLN A 15 -9.061 2.076 -5.124 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.538 3.694 -3.303 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -8.201 1.160 -3.226 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -6.827 0.925 -4.287 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -5.439 2.199 -2.554 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.820 2.062 -1.483 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.376 0.085 -0.592 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.348 -1.344 -0.746 1.00 25.00 H new ATOM 219 N LEU A 16 -6.296 2.813 -6.240 1.00 25.00 N ATOM 220 CA LEU A 16 -5.220 3.038 -7.217 1.00 25.00 C ATOM 221 C LEU A 16 -4.935 4.521 -7.400 1.00 25.00 C ATOM 222 O LEU A 16 -3.778 4.920 -7.500 1.00 25.00 O ATOM 223 CB LEU A 16 -5.568 2.440 -8.585 1.00 25.00 C ATOM 224 CG LEU A 16 -4.949 1.083 -8.985 1.00 25.00 C ATOM 225 CD1 LEU A 16 -3.463 1.225 -9.157 1.00 25.00 C ATOM 226 CD2 LEU A 16 -5.235 -0.022 -8.000 1.00 25.00 C ATOM 0 H LEU A 16 -7.048 2.218 -6.588 1.00 25.00 H new ATOM 0 HA LEU A 16 -4.335 2.543 -6.817 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.652 2.335 -8.633 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -5.285 3.168 -9.345 1.00 25.00 H new ATOM 0 HG LEU A 16 -5.419 0.799 -9.927 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.036 0.263 -9.439 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -3.255 1.957 -9.938 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.018 1.559 -8.219 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.770 -0.946 -8.344 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -4.830 0.246 -7.024 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -6.312 -0.167 -7.918 1.00 25.00 H new ATOM 238 N GLU A 17 -5.975 5.341 -7.411 1.00 25.00 N ATOM 239 CA GLU A 17 -5.803 6.788 -7.580 1.00 25.00 C ATOM 240 C GLU A 17 -4.901 7.433 -6.519 1.00 25.00 C ATOM 241 O GLU A 17 -4.177 8.381 -6.814 1.00 25.00 O ATOM 242 CB GLU A 17 -7.163 7.494 -7.583 1.00 25.00 C ATOM 243 CG GLU A 17 -7.887 7.311 -8.905 1.00 25.00 C ATOM 244 CD GLU A 17 -9.194 8.045 -8.975 1.00 25.00 C ATOM 245 OE1 GLU A 17 -10.251 7.513 -9.191 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.071 9.327 -8.825 1.00 25.00 O ATOM 0 H GLU A 17 -6.943 5.038 -7.306 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.305 6.914 -8.541 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.779 7.102 -6.773 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -7.022 8.557 -7.389 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.242 7.654 -9.714 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.066 6.248 -9.069 1.00 25.00 H new ATOM 254 N ASN A 18 -4.893 6.915 -5.303 1.00 25.00 N ATOM 255 CA ASN A 18 -4.059 7.505 -4.255 1.00 25.00 C ATOM 256 C ASN A 18 -2.582 7.274 -4.538 1.00 25.00 C ATOM 257 O ASN A 18 -1.737 7.996 -4.022 1.00 25.00 O ATOM 258 CB ASN A 18 -4.401 6.910 -2.890 1.00 25.00 C ATOM 259 CG ASN A 18 -5.751 7.335 -2.403 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.935 8.454 -1.967 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.706 6.454 -2.476 1.00 25.00 N ATOM 0 H ASN A 18 -5.440 6.104 -5.014 1.00 25.00 H new ATOM 0 HA ASN A 18 -4.260 8.576 -4.245 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.366 5.822 -2.952 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.645 7.212 -2.165 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.646 6.694 -2.161 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.514 5.524 -2.848 1.00 25.00 H new ATOM 268 N TYR A 19 -2.263 6.300 -5.376 1.00 25.00 N ATOM 269 CA TYR A 19 -0.875 5.985 -5.699 1.00 25.00 C ATOM 270 C TYR A 19 -0.405 6.845 -6.867 1.00 25.00 C ATOM 271 O TYR A 19 0.757 6.811 -7.245 1.00 25.00 O ATOM 272 CB TYR A 19 -0.749 4.512 -6.056 1.00 25.00 C ATOM 273 CG TYR A 19 -1.147 3.581 -4.928 1.00 25.00 C ATOM 274 CD1 TYR A 19 -0.240 3.210 -3.913 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.440 3.053 -4.888 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.642 2.305 -2.878 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.842 2.157 -3.871 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.939 1.786 -2.871 1.00 25.00 C ATOM 279 OH TYR A 19 -2.336 0.898 -1.907 1.00 25.00 O ATOM 0 H TYR A 19 -2.948 5.710 -5.848 1.00 25.00 H new ATOM 0 HA TYR A 19 -0.251 6.195 -4.830 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.371 4.303 -6.926 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.281 4.303 -6.343 1.00 25.00 H new ATOM 0 HD1 TYR A 19 0.763 3.611 -3.916 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -3.149 3.336 -5.652 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.057 2.024 -2.104 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.846 1.760 -3.867 1.00 25.00 H new ATOM 0 HH TYR A 19 -3.214 0.532 -2.141 1.00 25.00 H new ATOM 289 N CYS A 20 -1.313 7.641 -7.414 1.00 25.00 N ATOM 290 CA CYS A 20 -0.963 8.560 -8.491 1.00 25.00 C ATOM 291 C CYS A 20 -0.393 9.855 -7.909 1.00 25.00 C ATOM 292 O CYS A 20 0.098 10.730 -8.617 1.00 25.00 O ATOM 293 CB CYS A 20 -2.210 8.840 -9.302 1.00 25.00 C ATOM 294 SG CYS A 20 -3.050 7.294 -9.770 1.00 25.00 S ATOM 0 H CYS A 20 -2.293 7.670 -7.133 1.00 25.00 H new ATOM 0 HA CYS A 20 -0.201 8.118 -9.133 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.890 9.466 -8.724 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -1.946 9.400 -10.199 1.00 25.00 H new ATOM 299 N ASN A 21 -0.460 9.966 -6.580 1.00 25.00 N ATOM 300 CA ASN A 21 0.073 11.111 -5.855 1.00 25.00 C ATOM 301 C ASN A 21 1.611 11.025 -5.753 1.00 25.00 C ATOM 302 O ASN A 21 2.225 10.645 -4.782 1.00 25.00 O ATOM 303 CB ASN A 21 -0.609 11.244 -4.481 1.00 25.00 C ATOM 304 CG ASN A 21 -0.406 12.620 -3.920 1.00 25.00 C ATOM 305 OD1 ASN A 21 0.338 13.452 -4.375 1.00 25.00 O ATOM 306 ND2 ASN A 21 -1.174 12.926 -2.887 1.00 25.00 N ATOM 307 OXT ASN A 21 2.206 11.305 -6.879 1.00 25.00 O ATOM 0 H ASN A 21 -0.887 9.261 -5.980 1.00 25.00 H new ATOM 0 HA ASN A 21 -0.153 12.022 -6.410 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -1.675 11.039 -4.577 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -0.202 10.502 -3.794 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -1.134 13.861 -2.481 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -1.806 12.227 -2.497 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.270 -1.616 -15.534 1.00 25.00 N ATOM 317 CA PHE B 1 -11.566 -1.951 -14.268 1.00 25.00 C ATOM 318 C PHE B 1 -12.374 -2.808 -13.290 1.00 25.00 C ATOM 319 O PHE B 1 -13.463 -2.486 -12.866 1.00 25.00 O ATOM 320 CB PHE B 1 -11.158 -0.633 -13.576 1.00 25.00 C ATOM 321 CG PHE B 1 -10.034 -0.751 -12.555 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.182 -1.497 -11.379 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.816 -0.095 -12.813 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.116 -1.613 -10.488 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.761 -0.196 -11.912 1.00 25.00 C ATOM 326 CZ PHE B 1 -7.907 -0.963 -10.746 1.00 25.00 C ATOM 0 H1 PHE B 1 -11.649 -1.035 -16.133 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.516 -2.492 -16.037 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.138 -1.086 -15.319 1.00 25.00 H new ATOM 0 HA PHE B 1 -10.704 -2.559 -14.544 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -10.856 0.081 -14.342 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.035 -0.217 -13.079 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.122 -1.983 -11.162 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.700 0.489 -13.714 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.226 -2.209 -9.594 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.830 0.315 -12.110 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.086 -1.051 -10.050 1.00 25.00 H new ATOM 337 N VAL B 2 -11.771 -3.921 -12.838 1.00 25.00 N ATOM 338 CA VAL B 2 -12.371 -4.748 -11.797 1.00 25.00 C ATOM 339 C VAL B 2 -11.318 -4.905 -10.712 1.00 25.00 C ATOM 340 O VAL B 2 -10.116 -4.956 -10.990 1.00 25.00 O ATOM 341 CB VAL B 2 -12.895 -6.121 -12.355 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.750 -6.995 -12.867 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.700 -6.883 -11.289 1.00 25.00 C ATOM 0 H VAL B 2 -10.872 -4.261 -13.181 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.263 -4.274 -11.386 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.552 -5.893 -13.194 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.151 -7.936 -13.245 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.226 -6.475 -13.669 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.055 -7.198 -12.052 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.049 -7.828 -11.704 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.065 -7.078 -10.425 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.557 -6.283 -10.982 1.00 25.00 H new ATOM 353 N ASN B 3 -11.766 -4.904 -9.471 1.00 25.00 N ATOM 354 CA ASN B 3 -10.868 -5.005 -8.327 1.00 25.00 C ATOM 355 C ASN B 3 -10.389 -6.448 -8.178 1.00 25.00 C ATOM 356 O ASN B 3 -11.161 -7.388 -8.286 1.00 25.00 O ATOM 357 CB ASN B 3 -11.557 -4.512 -7.051 1.00 25.00 C ATOM 358 CG ASN B 3 -12.784 -5.346 -6.668 1.00 25.00 C ATOM 359 OD1 ASN B 3 -12.688 -6.278 -5.903 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.938 -4.965 -7.158 1.00 25.00 N ATOM 0 H ASN B 3 -12.753 -4.834 -9.224 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.001 -4.367 -8.495 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.842 -4.531 -6.229 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.859 -3.474 -7.187 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.791 -5.459 -6.896 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -13.983 -4.175 -7.801 1.00 25.00 H new ATOM 367 N GLN B 4 -9.076 -6.609 -8.041 1.00 25.00 N ATOM 368 CA GLN B 4 -8.427 -7.916 -8.044 1.00 25.00 C ATOM 369 C GLN B 4 -6.993 -7.766 -7.526 1.00 25.00 C ATOM 370 O GLN B 4 -6.569 -6.648 -7.224 1.00 25.00 O ATOM 371 CB GLN B 4 -8.405 -8.494 -9.472 1.00 25.00 C ATOM 372 CG GLN B 4 -7.602 -7.671 -10.468 1.00 25.00 C ATOM 373 CD GLN B 4 -7.725 -8.181 -11.883 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.228 -9.246 -12.225 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.407 -7.434 -12.710 1.00 25.00 N ATOM 0 H GLN B 4 -8.428 -5.830 -7.924 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.983 -8.596 -7.399 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -7.994 -9.503 -9.437 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.430 -8.580 -9.832 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.938 -6.635 -10.430 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.552 -7.677 -10.175 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.807 -6.552 -12.389 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.540 -7.733 -13.676 1.00 25.00 H new ATOM 384 N HIS B 5 -6.251 -8.872 -7.470 1.00 25.00 N ATOM 385 CA HIS B 5 -4.843 -8.849 -7.069 1.00 25.00 C ATOM 386 C HIS B 5 -3.939 -8.413 -8.234 1.00 25.00 C ATOM 387 O HIS B 5 -3.337 -9.248 -8.913 1.00 25.00 O ATOM 388 CB HIS B 5 -4.421 -10.237 -6.599 1.00 25.00 C ATOM 389 CG HIS B 5 -5.024 -10.630 -5.285 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.578 -10.136 -4.067 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.042 -11.477 -4.963 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.293 -10.682 -3.085 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.172 -11.496 -3.605 1.00 25.00 N ATOM 0 H HIS B 5 -6.604 -9.801 -7.699 1.00 25.00 H new ATOM 0 HA HIS B 5 -4.734 -8.129 -6.258 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -4.705 -10.970 -7.354 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.335 -10.269 -6.516 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -6.643 -12.038 -5.663 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.167 -10.484 -2.031 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -6.846 -12.055 -3.081 1.00 25.00 H new ATOM 402 N LEU B 6 -3.870 -7.117 -8.482 1.00 25.00 N ATOM 403 CA LEU B 6 -3.055 -6.599 -9.572 1.00 25.00 C ATOM 404 C LEU B 6 -1.585 -6.601 -9.176 1.00 25.00 C ATOM 405 O LEU B 6 -1.225 -6.188 -8.087 1.00 25.00 O ATOM 406 CB LEU B 6 -3.489 -5.176 -9.896 1.00 25.00 C ATOM 407 CG LEU B 6 -4.865 -5.090 -10.570 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.424 -3.703 -10.417 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.767 -5.456 -12.073 1.00 25.00 C ATOM 0 H LEU B 6 -4.366 -6.404 -7.947 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.188 -7.234 -10.448 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.508 -4.593 -8.975 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.745 -4.718 -10.548 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.531 -5.804 -10.085 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.401 -3.649 -10.898 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.527 -3.467 -9.358 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.750 -2.985 -10.884 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.755 -5.388 -12.529 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.088 -4.765 -12.572 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.389 -6.473 -12.176 1.00 25.00 H new ATOM 421 N CYS B 7 -0.739 -7.085 -10.069 1.00 25.00 N ATOM 422 CA CYS B 7 0.695 -7.158 -9.801 1.00 25.00 C ATOM 423 C CYS B 7 1.483 -6.897 -11.086 1.00 25.00 C ATOM 424 O CYS B 7 0.928 -6.987 -12.187 1.00 25.00 O ATOM 425 CB CYS B 7 1.039 -8.536 -9.238 1.00 25.00 C ATOM 426 SG CYS B 7 2.558 -8.571 -8.252 1.00 25.00 S ATOM 0 H CYS B 7 -1.016 -7.434 -10.987 1.00 25.00 H new ATOM 0 HA CYS B 7 0.965 -6.397 -9.069 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.210 -8.882 -8.621 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.138 -9.240 -10.064 1.00 25.00 H new ATOM 431 N GLY B 8 2.763 -6.576 -10.946 1.00 25.00 N ATOM 432 CA GLY B 8 3.625 -6.393 -12.101 1.00 25.00 C ATOM 433 C GLY B 8 3.117 -5.472 -13.194 1.00 25.00 C ATOM 434 O GLY B 8 2.564 -4.402 -12.941 1.00 25.00 O ATOM 0 H GLY B 8 3.224 -6.438 -10.046 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.584 -6.010 -11.752 1.00 25.00 H new ATOM 0 HA3 GLY B 8 3.814 -7.372 -12.542 1.00 25.00 H new ATOM 438 N SER B 9 3.284 -5.909 -14.437 1.00 25.00 N ATOM 439 CA SER B 9 2.848 -5.154 -15.600 1.00 25.00 C ATOM 440 C SER B 9 1.345 -4.925 -15.577 1.00 25.00 C ATOM 441 O SER B 9 0.871 -3.899 -16.037 1.00 25.00 O ATOM 442 CB SER B 9 3.238 -5.912 -16.863 1.00 25.00 C ATOM 443 OG SER B 9 3.414 -7.290 -16.550 1.00 25.00 O ATOM 0 H SER B 9 3.727 -6.799 -14.664 1.00 25.00 H new ATOM 0 HA SER B 9 3.335 -4.179 -15.585 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.466 -5.796 -17.624 1.00 25.00 H new ATOM 0 HB3 SER B 9 4.158 -5.501 -17.278 1.00 25.00 H new ATOM 0 HG SER B 9 3.663 -7.780 -17.361 1.00 25.00 H new ATOM 449 N HIS B 10 0.590 -5.845 -14.987 1.00 25.00 N ATOM 450 CA HIS B 10 -0.852 -5.682 -14.867 1.00 25.00 C ATOM 451 C HIS B 10 -1.162 -4.517 -13.939 1.00 25.00 C ATOM 452 O HIS B 10 -2.074 -3.724 -14.195 1.00 25.00 O ATOM 453 CB HIS B 10 -1.504 -6.973 -14.351 1.00 25.00 C ATOM 454 CG HIS B 10 -2.710 -7.367 -15.134 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.293 -8.639 -15.090 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.469 -6.671 -16.029 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.342 -8.652 -15.900 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.459 -7.483 -16.478 1.00 25.00 N ATOM 0 H HIS B 10 0.953 -6.710 -14.585 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.265 -5.469 -15.853 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.774 -7.782 -14.386 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.783 -6.840 -13.306 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.309 -5.646 -16.330 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.998 -9.495 -16.059 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.177 -7.225 -17.155 1.00 25.00 H new ATOM 467 N LEU B 11 -0.370 -4.383 -12.876 1.00 25.00 N ATOM 468 CA LEU B 11 -0.511 -3.246 -11.960 1.00 25.00 C ATOM 469 C LEU B 11 -0.186 -1.956 -12.702 1.00 25.00 C ATOM 470 O LEU B 11 -0.899 -0.972 -12.565 1.00 25.00 O ATOM 471 CB LEU B 11 0.441 -3.382 -10.770 1.00 25.00 C ATOM 472 CG LEU B 11 -0.151 -3.101 -9.382 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.943 -3.308 -8.348 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.719 -1.709 -9.265 1.00 25.00 C ATOM 0 H LEU B 11 0.370 -5.039 -12.627 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.537 -3.227 -11.592 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.844 -4.395 -10.770 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.281 -2.705 -10.926 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.981 -3.788 -9.216 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.544 -3.113 -7.352 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.303 -4.335 -8.400 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.767 -2.624 -8.549 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.124 -1.564 -8.263 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.069 -0.978 -9.447 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.513 -1.577 -10.000 1.00 25.00 H new ATOM 486 N VAL B 12 0.873 -1.963 -13.499 1.00 25.00 N ATOM 487 CA VAL B 12 1.253 -0.765 -14.259 1.00 25.00 C ATOM 488 C VAL B 12 0.143 -0.386 -15.248 1.00 25.00 C ATOM 489 O VAL B 12 -0.224 0.783 -15.358 1.00 25.00 O ATOM 490 CB VAL B 12 2.601 -0.952 -15.016 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.994 0.325 -15.786 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.719 -1.306 -14.037 1.00 25.00 C ATOM 0 H VAL B 12 1.481 -2.769 -13.640 1.00 25.00 H new ATOM 0 HA VAL B 12 1.390 0.043 -13.540 1.00 25.00 H new ATOM 0 HB VAL B 12 2.464 -1.765 -15.729 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.939 0.161 -16.303 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.219 0.564 -16.514 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.102 1.153 -15.086 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.654 -1.433 -14.583 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.831 -0.504 -13.307 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.471 -2.234 -13.521 1.00 25.00 H new ATOM 502 N GLU B 13 -0.436 -1.373 -15.911 1.00 25.00 N ATOM 503 CA GLU B 13 -1.545 -1.123 -16.840 1.00 25.00 C ATOM 504 C GLU B 13 -2.723 -0.514 -16.112 1.00 25.00 C ATOM 505 O GLU B 13 -3.355 0.395 -16.610 1.00 25.00 O ATOM 506 CB GLU B 13 -2.005 -2.436 -17.475 1.00 25.00 C ATOM 507 CG GLU B 13 -1.163 -2.908 -18.635 1.00 25.00 C ATOM 508 CD GLU B 13 -1.538 -4.288 -19.079 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.468 -5.268 -18.369 1.00 25.00 O ATOM 510 OE2 GLU B 13 -2.010 -4.333 -20.279 1.00 25.00 O ATOM 0 H GLU B 13 -0.164 -2.353 -15.830 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.189 -0.435 -17.607 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -2.010 -3.211 -16.709 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -3.034 -2.318 -17.816 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.276 -2.216 -19.470 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.111 -2.893 -18.349 1.00 25.00 H new ATOM 518 N ALA B 14 -3.021 -1.013 -14.925 1.00 25.00 N ATOM 519 CA ALA B 14 -4.136 -0.488 -14.152 1.00 25.00 C ATOM 520 C ALA B 14 -3.891 0.975 -13.789 1.00 25.00 C ATOM 521 O ALA B 14 -4.776 1.801 -13.962 1.00 25.00 O ATOM 522 CB ALA B 14 -4.338 -1.313 -12.925 1.00 25.00 C ATOM 0 H ALA B 14 -2.512 -1.775 -14.477 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.041 -0.539 -14.757 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.175 -0.914 -12.352 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.553 -2.343 -13.210 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.435 -1.286 -12.316 1.00 25.00 H new ATOM 528 N LEU B 15 -2.683 1.287 -13.313 1.00 25.00 N ATOM 529 CA LEU B 15 -2.317 2.664 -12.956 1.00 25.00 C ATOM 530 C LEU B 15 -2.410 3.563 -14.178 1.00 25.00 C ATOM 531 O LEU B 15 -2.858 4.701 -14.090 1.00 25.00 O ATOM 532 CB LEU B 15 -0.886 2.733 -12.425 1.00 25.00 C ATOM 533 CG LEU B 15 -0.699 2.928 -10.914 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.785 2.919 -10.583 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.311 4.246 -10.433 1.00 25.00 C ATOM 0 H LEU B 15 -1.939 0.605 -13.165 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.009 2.997 -12.183 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.377 1.813 -12.711 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.377 3.551 -12.935 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.209 2.110 -10.406 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.919 3.057 -9.510 1.00 25.00 H new ATOM 0 HD12 LEU B 15 1.219 1.965 -10.883 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.282 3.728 -11.118 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.158 4.347 -9.359 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.832 5.079 -10.948 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.379 4.252 -10.650 1.00 25.00 H new ATOM 547 N TYR B 16 -2.002 3.052 -15.319 1.00 25.00 N ATOM 548 CA TYR B 16 -2.072 3.812 -16.545 1.00 25.00 C ATOM 549 C TYR B 16 -3.513 4.097 -16.934 1.00 25.00 C ATOM 550 O TYR B 16 -3.838 5.214 -17.316 1.00 25.00 O ATOM 551 CB TYR B 16 -1.385 3.054 -17.679 1.00 25.00 C ATOM 552 CG TYR B 16 -1.701 3.640 -19.028 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.143 4.871 -19.432 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.577 2.972 -19.903 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.454 5.415 -20.699 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.889 3.511 -21.176 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.321 4.721 -21.566 1.00 25.00 C ATOM 558 OH TYR B 16 -2.639 5.241 -22.795 1.00 25.00 O ATOM 0 H TYR B 16 -1.618 2.113 -15.422 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.561 4.760 -16.375 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.306 3.068 -17.522 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.696 2.010 -17.657 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.474 5.401 -18.770 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.018 2.034 -19.600 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -1.028 6.360 -21.002 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.562 2.987 -21.839 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.248 4.631 -23.261 1.00 25.00 H new ATOM 568 N LEU B 17 -4.388 3.113 -16.839 1.00 25.00 N ATOM 569 CA LEU B 17 -5.764 3.319 -17.256 1.00 25.00 C ATOM 570 C LEU B 17 -6.503 4.272 -16.322 1.00 25.00 C ATOM 571 O LEU B 17 -7.269 5.115 -16.765 1.00 25.00 O ATOM 572 CB LEU B 17 -6.486 1.963 -17.310 1.00 25.00 C ATOM 573 CG LEU B 17 -6.018 1.032 -18.459 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.479 -0.396 -18.194 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.535 1.502 -19.803 1.00 25.00 C ATOM 0 H LEU B 17 -4.178 2.180 -16.484 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.756 3.776 -18.246 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.339 1.449 -16.360 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.557 2.139 -17.415 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.929 1.063 -18.491 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -6.146 -1.042 -19.006 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -6.054 -0.747 -17.253 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.567 -0.422 -18.133 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.187 0.825 -20.584 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.625 1.512 -19.790 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.166 2.508 -20.003 1.00 25.00 H new ATOM 587 N VAL B 18 -6.256 4.149 -15.033 1.00 25.00 N ATOM 588 CA VAL B 18 -6.957 4.980 -14.050 1.00 25.00 C ATOM 589 C VAL B 18 -6.363 6.392 -13.950 1.00 25.00 C ATOM 590 O VAL B 18 -7.095 7.343 -13.739 1.00 25.00 O ATOM 591 CB VAL B 18 -7.013 4.269 -12.648 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.636 4.127 -12.024 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.924 5.005 -11.698 1.00 25.00 C ATOM 0 H VAL B 18 -5.584 3.492 -14.636 1.00 25.00 H new ATOM 0 HA VAL B 18 -7.981 5.102 -14.403 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.412 3.270 -12.825 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.724 3.631 -11.058 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -4.999 3.534 -12.680 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.195 5.114 -11.886 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -7.942 4.489 -10.738 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.558 6.022 -11.557 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -8.932 5.037 -12.112 1.00 25.00 H new ATOM 603 N CYS B 19 -5.057 6.529 -14.105 1.00 25.00 N ATOM 604 CA CYS B 19 -4.401 7.814 -13.908 1.00 25.00 C ATOM 605 C CYS B 19 -3.471 8.249 -15.038 1.00 25.00 C ATOM 606 O CYS B 19 -3.393 9.423 -15.332 1.00 25.00 O ATOM 607 CB CYS B 19 -3.552 7.702 -12.661 1.00 25.00 C ATOM 608 SG CYS B 19 -4.460 7.858 -11.103 1.00 25.00 S ATOM 0 H CYS B 19 -4.429 5.769 -14.366 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.197 8.557 -13.852 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.042 6.739 -12.672 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.781 8.472 -12.694 1.00 25.00 H new ATOM 613 N GLY B 20 -2.764 7.333 -15.669 1.00 25.00 N ATOM 614 CA GLY B 20 -1.835 7.714 -16.726 1.00 25.00 C ATOM 615 C GLY B 20 -2.539 8.377 -17.898 1.00 25.00 C ATOM 616 O GLY B 20 -1.968 9.210 -18.579 1.00 25.00 O ATOM 0 H GLY B 20 -2.810 6.332 -15.476 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.087 8.395 -16.321 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.304 6.829 -17.077 1.00 25.00 H new ATOM 620 N GLU B 21 -3.810 8.046 -18.086 1.00 25.00 N ATOM 621 CA GLU B 21 -4.632 8.642 -19.140 1.00 25.00 C ATOM 622 C GLU B 21 -5.285 9.969 -18.707 1.00 25.00 C ATOM 623 O GLU B 21 -6.186 10.469 -19.374 1.00 25.00 O ATOM 624 CB GLU B 21 -5.715 7.641 -19.562 1.00 25.00 C ATOM 625 CG GLU B 21 -5.130 6.429 -20.272 1.00 25.00 C ATOM 626 CD GLU B 21 -6.178 5.464 -20.721 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.275 5.387 -20.230 1.00 25.00 O ATOM 628 OE2 GLU B 21 -5.791 4.718 -21.707 1.00 25.00 O ATOM 0 H GLU B 21 -4.302 7.359 -17.515 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.975 8.872 -19.979 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.267 7.313 -18.682 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.429 8.136 -20.220 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.554 6.762 -21.136 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.436 5.920 -19.603 1.00 25.00 H new ATOM 636 N ARG B 22 -4.842 10.520 -17.572 1.00 25.00 N ATOM 637 CA ARG B 22 -5.364 11.790 -17.041 1.00 25.00 C ATOM 638 C ARG B 22 -4.265 12.722 -16.522 1.00 25.00 C ATOM 639 O ARG B 22 -4.304 13.920 -16.760 1.00 25.00 O ATOM 640 CB ARG B 22 -6.347 11.507 -15.899 1.00 25.00 C ATOM 641 CG ARG B 22 -7.753 11.156 -16.373 1.00 25.00 C ATOM 642 CD ARG B 22 -8.058 9.667 -16.259 1.00 25.00 C ATOM 643 NE ARG B 22 -9.036 9.415 -15.192 1.00 25.00 N ATOM 644 CZ ARG B 22 -9.700 8.281 -15.016 1.00 25.00 C ATOM 645 NH1 ARG B 22 -9.536 7.235 -15.792 1.00 25.00 N ATOM 646 NH2 ARG B 22 -10.561 8.198 -14.034 1.00 25.00 N ATOM 0 H ARG B 22 -4.113 10.101 -16.994 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.859 12.294 -17.871 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.961 10.686 -15.295 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.399 12.382 -15.251 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.480 11.718 -15.787 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.871 11.468 -17.411 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.445 9.297 -17.208 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.139 9.118 -16.054 1.00 25.00 H new ATOM 0 HE ARG B 22 -9.219 10.173 -14.534 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.876 7.274 -16.568 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.069 6.383 -15.619 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -10.712 8.998 -13.419 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -11.081 7.334 -13.883 1.00 25.00 H new ATOM 660 N GLY B 23 -3.303 12.160 -15.818 1.00 25.00 N ATOM 661 CA GLY B 23 -2.224 12.919 -15.219 1.00 25.00 C ATOM 662 C GLY B 23 -1.900 12.270 -13.890 1.00 25.00 C ATOM 663 O GLY B 23 -2.801 11.972 -13.119 1.00 25.00 O ATOM 0 H GLY B 23 -3.248 11.156 -15.644 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.349 12.921 -15.869 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.518 13.959 -15.077 1.00 25.00 H new ATOM 667 N GLY B 24 -0.619 12.031 -13.643 1.00 25.00 N ATOM 668 CA GLY B 24 -0.189 11.354 -12.421 1.00 25.00 C ATOM 669 C GLY B 24 0.354 9.975 -12.716 1.00 25.00 C ATOM 670 O GLY B 24 -0.305 8.960 -12.486 1.00 25.00 O ATOM 0 H GLY B 24 0.141 12.294 -14.270 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.577 11.949 -11.924 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -1.030 11.276 -11.732 1.00 25.00 H new ATOM 674 N PHE B 25 1.555 9.929 -13.269 1.00 25.00 N ATOM 675 CA PHE B 25 2.206 8.675 -13.632 1.00 25.00 C ATOM 676 C PHE B 25 3.701 8.897 -13.469 1.00 25.00 C ATOM 677 O PHE B 25 4.188 9.974 -13.783 1.00 25.00 O ATOM 678 CB PHE B 25 1.866 8.306 -15.073 1.00 25.00 C ATOM 679 CG PHE B 25 2.090 6.861 -15.389 1.00 25.00 C ATOM 680 CD1 PHE B 25 1.296 5.868 -14.765 1.00 25.00 C ATOM 681 CD2 PHE B 25 3.078 6.467 -16.297 1.00 25.00 C ATOM 682 CE1 PHE B 25 1.500 4.497 -15.055 1.00 25.00 C ATOM 683 CE2 PHE B 25 3.286 5.097 -16.595 1.00 25.00 C ATOM 684 CZ PHE B 25 2.492 4.116 -15.966 1.00 25.00 C ATOM 0 H PHE B 25 2.109 10.759 -13.480 1.00 25.00 H new ATOM 0 HA PHE B 25 1.868 7.854 -13.000 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.822 8.554 -15.266 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.469 8.915 -15.747 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.529 6.159 -14.062 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.690 7.216 -16.777 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.891 3.746 -14.574 1.00 25.00 H new ATOM 0 HE2 PHE B 25 4.050 4.806 -17.301 1.00 25.00 H new ATOM 0 HZ PHE B 25 2.649 3.071 -16.187 1.00 25.00 H new ATOM 694 N TYR B 26 4.399 7.923 -12.912 1.00 25.00 N ATOM 695 CA TYR B 26 5.829 8.079 -12.596 1.00 25.00 C ATOM 696 C TYR B 26 6.726 7.241 -13.511 1.00 25.00 C ATOM 697 O TYR B 26 7.941 7.286 -13.403 1.00 25.00 O ATOM 698 CB TYR B 26 6.080 7.679 -11.142 1.00 25.00 C ATOM 699 CG TYR B 26 5.631 6.263 -10.854 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.458 5.166 -11.166 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.371 6.012 -10.269 1.00 25.00 C ATOM 702 CE1 TYR B 26 6.037 3.842 -10.913 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.949 4.683 -10.009 1.00 25.00 C ATOM 704 CZ TYR B 26 4.784 3.618 -10.334 1.00 25.00 C ATOM 705 OH TYR B 26 4.377 2.322 -10.104 1.00 25.00 O ATOM 0 H TYR B 26 4.010 7.013 -12.665 1.00 25.00 H new ATOM 0 HA TYR B 26 6.082 9.127 -12.755 1.00 25.00 H new ATOM 0 HB2 TYR B 26 7.143 7.774 -10.919 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.553 8.367 -10.481 1.00 25.00 H new ATOM 0 HD1 TYR B 26 7.429 5.340 -11.605 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.723 6.839 -10.017 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.677 3.009 -11.165 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.984 4.498 -9.561 1.00 25.00 H new ATOM 0 HH TYR B 26 3.486 2.326 -9.697 1.00 25.00 H new HETATM 715 N NVA B 27 6.063 6.470 -14.405 1.00 25.00 N HETATM 716 CA NVA B 27 6.663 5.604 -15.447 1.00 25.00 C HETATM 717 CB NVA B 27 7.110 6.433 -16.699 1.00 25.00 C HETATM 718 CG NVA B 27 6.923 5.625 -18.029 1.00 25.00 C HETATM 719 CD NVA B 27 7.949 6.012 -19.149 1.00 25.00 C HETATM 720 C NVA B 27 7.811 4.644 -14.919 1.00 25.00 C HETATM 721 O NVA B 27 8.977 5.002 -14.863 1.00 25.00 O HETATM 0 HG3 NVA B 27 7.017 4.561 -17.814 1.00 25.00 H new HETATM 0 HG2 NVA B 27 5.912 5.786 -18.403 1.00 25.00 H new HETATM 0 HD3 NVA B 27 7.840 7.069 -19.393 1.00 25.00 H new HETATM 0 HD1 NVA B 27 7.759 5.413 -20.039 1.00 25.00 H new HETATM 0 HB3 NVA B 27 6.531 7.355 -16.750 1.00 25.00 H new HETATM 0 HB2 NVA B 27 8.156 6.719 -16.591 1.00 25.00 H new HETATM 0 HA NVA B 27 5.864 4.931 -15.760 1.00 25.00 H new ATOM 730 N PRO B 28 7.485 3.340 -14.546 1.00 25.00 N ATOM 731 CA PRO B 28 8.518 2.360 -14.155 1.00 25.00 C ATOM 732 C PRO B 28 9.297 1.801 -15.359 1.00 25.00 C ATOM 733 O PRO B 28 8.990 0.723 -15.890 1.00 25.00 O ATOM 734 CB PRO B 28 7.696 1.266 -13.456 1.00 25.00 C ATOM 735 CG PRO B 28 6.383 1.290 -14.158 1.00 25.00 C ATOM 736 CD PRO B 28 6.130 2.743 -14.511 1.00 25.00 C ATOM 0 HA PRO B 28 9.293 2.798 -13.525 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.176 0.291 -13.542 1.00 25.00 H new ATOM 0 HB3 PRO B 28 7.582 1.472 -12.392 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.407 0.669 -15.053 1.00 25.00 H new ATOM 0 HG3 PRO B 28 5.591 0.899 -13.519 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.626 2.839 -15.473 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.497 3.230 -13.769 1.00 25.00 H new HETATM 744 N HIX B 29 10.325 2.560 -15.792 1.00 25.00 N HETATM 745 CA HIX B 29 11.178 2.261 -16.977 1.00 25.00 C HETATM 746 C HIX B 29 12.095 1.043 -16.783 1.00 25.00 C HETATM 747 O HIX B 29 12.625 0.757 -15.720 1.00 25.00 O HETATM 748 CB HIX B 29 11.957 3.509 -17.451 1.00 25.00 C HETATM 749 CG HIX B 29 11.019 4.327 -18.309 1.00 25.00 C HETATM 750 CD2 HIX B 29 9.770 4.738 -17.929 1.00 25.00 C HETATM 751 ND1 HIX B 29 11.199 4.790 -19.590 1.00 25.00 N HETATM 752 NE1 HIX B 29 10.091 5.493 -20.120 1.00 25.00 N HETATM 753 NE2 HIX B 29 9.275 5.395 -18.990 1.00 25.00 N ATOM 760 N THR B 30 12.250 0.310 -17.914 1.00 25.00 N ATOM 761 CA THR B 30 13.085 -0.922 -18.098 1.00 25.00 C ATOM 762 C THR B 30 13.075 -1.364 -19.545 1.00 25.00 C ATOM 763 O THR B 30 14.074 -1.666 -20.147 1.00 25.00 O ATOM 764 CB THR B 30 12.638 -2.105 -17.200 1.00 25.00 C ATOM 765 OG1 THR B 30 11.364 -1.814 -16.645 1.00 25.00 O ATOM 766 CG2 THR B 30 13.618 -2.363 -16.043 1.00 25.00 C ATOM 767 OXT THR B 30 11.882 -1.463 -20.070 1.00 25.00 O ATOM 0 H THR B 30 11.772 0.571 -18.776 1.00 25.00 H new ATOM 0 HA THR B 30 14.095 -0.645 -17.796 1.00 25.00 H new ATOM 0 HB THR B 30 12.607 -2.995 -17.828 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.076 -2.560 -16.078 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.261 -3.200 -15.444 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.603 -2.599 -16.446 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.686 -1.472 -15.418 1.00 25.00 H new TER 776 THR B 30