USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.802 K(o=0.8,f=-1.5) USER MOD Set 2.1: A 1 GLY N :NH3+ -163:sc= 0.89 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.777 K(o=1.7,f=-4.7!) 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.275 K(o=0.28,f=-2.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0614 K(o=-0.061,f=-1.5) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.57) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 165:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.14) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.352 -2.535 -0.452 1.00 0.00 N ATOM 2 CA GLY A 1 0.412 -2.437 -1.591 1.00 0.00 C ATOM 3 C GLY A 1 0.441 -1.051 -2.214 1.00 0.00 C ATOM 4 O GLY A 1 0.609 -0.058 -1.505 1.00 0.00 O ATOM 0 H1 GLY A 1 1.528 -3.536 -0.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.249 -2.072 -0.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.940 -2.066 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.671 -3.182 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.599 -2.664 -1.252 1.00 0.00 H new ATOM 10 N ILE A 2 0.255 -0.972 -3.538 1.00 0.00 N ATOM 11 CA ILE A 2 0.438 0.243 -4.362 1.00 0.00 C ATOM 12 C ILE A 2 -0.246 1.501 -3.805 1.00 0.00 C ATOM 13 O ILE A 2 0.398 2.543 -3.708 1.00 0.00 O ATOM 14 CB ILE A 2 0.024 -0.039 -5.830 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.277 1.201 -6.719 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.428 -0.533 -5.975 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.062 1.004 -8.202 1.00 0.00 C ATOM 0 H ILE A 2 -0.038 -1.778 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 2 1.502 0.478 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 2 0.656 -0.858 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.310 2.034 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.326 1.484 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.649 -0.710 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.554 -1.461 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.110 0.222 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.147 1.924 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.544 0.195 -8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.118 0.753 -8.304 1.00 0.00 H new ATOM 29 N VAL A 3 -1.517 1.431 -3.397 1.00 0.00 N ATOM 30 CA VAL A 3 -2.271 2.615 -2.936 1.00 0.00 C ATOM 31 C VAL A 3 -1.671 3.221 -1.661 1.00 0.00 C ATOM 32 O VAL A 3 -1.451 4.427 -1.595 1.00 0.00 O ATOM 33 CB VAL A 3 -3.778 2.308 -2.816 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.120 1.138 -1.883 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.556 3.541 -2.348 1.00 0.00 C ATOM 0 H VAL A 3 -2.053 0.564 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.175 3.388 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.075 2.016 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.200 0.995 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.641 0.229 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.762 1.358 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.615 3.296 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.186 3.856 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.421 4.350 -3.066 1.00 0.00 H new ATOM 45 N GLU A 4 -1.295 2.399 -0.685 1.00 0.00 N ATOM 46 CA GLU A 4 -0.629 2.836 0.555 1.00 0.00 C ATOM 47 C GLU A 4 0.844 3.245 0.353 1.00 0.00 C ATOM 48 O GLU A 4 1.458 3.800 1.265 1.00 0.00 O ATOM 49 CB GLU A 4 -0.748 1.741 1.627 1.00 0.00 C ATOM 50 CG GLU A 4 -2.206 1.496 2.035 1.00 0.00 C ATOM 51 CD GLU A 4 -2.294 0.495 3.203 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.243 -0.736 2.958 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -2.420 0.928 4.375 1.00 0.00 O ATOM 0 H GLU A 4 -1.444 1.391 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.145 3.737 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.316 0.814 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.169 2.028 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.669 2.439 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.767 1.114 1.182 1.00 0.00 H new ATOM 60 N GLN A 5 1.411 3.005 -0.835 1.00 0.00 N ATOM 61 CA GLN A 5 2.774 3.399 -1.216 1.00 0.00 C ATOM 62 C GLN A 5 2.813 4.621 -2.157 1.00 0.00 C ATOM 63 O GLN A 5 3.828 5.316 -2.188 1.00 0.00 O ATOM 64 CB GLN A 5 3.502 2.173 -1.799 1.00 0.00 C ATOM 65 CG GLN A 5 3.768 1.119 -0.708 1.00 0.00 C ATOM 66 CD GLN A 5 4.390 -0.164 -1.255 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.724 -1.175 -1.446 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.685 -0.193 -1.491 1.00 0.00 N ATOM 0 H GLN A 5 0.919 2.516 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 5 3.301 3.733 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.901 1.734 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.446 2.485 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.430 1.544 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.830 0.877 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.250 0.642 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.123 -1.050 -1.829 1.00 0.00 H new ATOM 77 N CYS A 6 1.722 4.917 -2.878 1.00 0.00 N ATOM 78 CA CYS A 6 1.591 6.055 -3.800 1.00 0.00 C ATOM 79 C CYS A 6 0.675 7.198 -3.303 1.00 0.00 C ATOM 80 O CYS A 6 0.909 8.357 -3.649 1.00 0.00 O ATOM 81 CB CYS A 6 1.069 5.523 -5.140 1.00 0.00 C ATOM 82 SG CYS A 6 2.191 4.470 -6.104 1.00 0.00 S ATOM 0 H CYS A 6 0.875 4.350 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 6 2.581 6.503 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.157 4.958 -4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.791 6.377 -5.758 1.00 0.00 H new ATOM 87 N CYS A 7 -0.368 6.917 -2.507 1.00 0.00 N ATOM 88 CA CYS A 7 -1.384 7.923 -2.152 1.00 0.00 C ATOM 89 C CYS A 7 -0.937 8.856 -1.009 1.00 0.00 C ATOM 90 O CYS A 7 -1.301 10.034 -0.980 1.00 0.00 O ATOM 91 CB CYS A 7 -2.692 7.194 -1.805 1.00 0.00 C ATOM 92 SG CYS A 7 -4.171 8.237 -1.654 1.00 0.00 S ATOM 0 H CYS A 7 -0.531 5.998 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.536 8.576 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.879 6.442 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.549 6.662 -0.864 1.00 0.00 H new ATOM 97 N THR A 8 -0.133 8.338 -0.071 1.00 0.00 N ATOM 98 CA THR A 8 0.341 9.058 1.132 1.00 0.00 C ATOM 99 C THR A 8 1.705 9.751 0.945 1.00 0.00 C ATOM 100 O THR A 8 2.014 10.730 1.629 1.00 0.00 O ATOM 101 CB THR A 8 0.319 8.107 2.340 1.00 0.00 C ATOM 102 OG1 THR A 8 0.542 8.805 3.548 1.00 0.00 O ATOM 103 CG2 THR A 8 1.354 6.989 2.235 1.00 0.00 C ATOM 0 H THR A 8 0.218 7.382 -0.124 1.00 0.00 H new ATOM 0 HA THR A 8 -0.350 9.880 1.318 1.00 0.00 H new ATOM 0 HB THR A 8 -0.676 7.662 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.521 8.175 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.291 6.350 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.159 6.395 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.352 7.422 2.172 1.00 0.00 H new ATOM 111 N SER A 9 2.515 9.276 -0.009 1.00 0.00 N ATOM 112 CA SER A 9 3.810 9.846 -0.410 1.00 0.00 C ATOM 113 C SER A 9 4.121 9.487 -1.871 1.00 0.00 C ATOM 114 O SER A 9 3.552 8.534 -2.406 1.00 0.00 O ATOM 115 CB SER A 9 4.921 9.330 0.511 1.00 0.00 C ATOM 116 OG SER A 9 6.112 10.074 0.306 1.00 0.00 O ATOM 0 H SER A 9 2.275 8.444 -0.549 1.00 0.00 H new ATOM 0 HA SER A 9 3.757 10.931 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.608 9.411 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.105 8.274 0.315 1.00 0.00 H new ATOM 0 HG SER A 9 6.815 9.737 0.901 1.00 0.00 H new ATOM 122 N ILE A 10 5.016 10.229 -2.531 1.00 0.00 N ATOM 123 CA ILE A 10 5.366 10.016 -3.947 1.00 0.00 C ATOM 124 C ILE A 10 5.973 8.619 -4.167 1.00 0.00 C ATOM 125 O ILE A 10 6.889 8.207 -3.449 1.00 0.00 O ATOM 126 CB ILE A 10 6.305 11.133 -4.471 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.641 12.515 -4.281 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.671 10.895 -5.948 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.368 13.705 -4.920 1.00 0.00 C ATOM 0 H ILE A 10 5.524 11.001 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 10 4.444 10.068 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 10 7.229 11.110 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.631 12.470 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.544 12.705 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.330 11.692 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.179 9.936 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.763 10.889 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.811 14.621 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.369 13.790 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.442 13.551 -5.997 1.00 0.00 H new ATOM 141 N CYS A 11 5.495 7.920 -5.202 1.00 0.00 N ATOM 142 CA CYS A 11 6.047 6.655 -5.697 1.00 0.00 C ATOM 143 C CYS A 11 6.664 6.818 -7.100 1.00 0.00 C ATOM 144 O CYS A 11 6.413 7.812 -7.786 1.00 0.00 O ATOM 145 CB CYS A 11 4.961 5.575 -5.637 1.00 0.00 C ATOM 146 SG CYS A 11 3.591 5.769 -6.806 1.00 0.00 S ATOM 0 H CYS A 11 4.684 8.231 -5.737 1.00 0.00 H new ATOM 0 HA CYS A 11 6.870 6.338 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.429 4.606 -5.812 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.552 5.554 -4.627 1.00 0.00 H new ATOM 151 N SER A 12 7.489 5.862 -7.533 1.00 0.00 N ATOM 152 CA SER A 12 8.329 5.982 -8.740 1.00 0.00 C ATOM 153 C SER A 12 8.059 4.888 -9.776 1.00 0.00 C ATOM 154 O SER A 12 7.519 3.828 -9.456 1.00 0.00 O ATOM 155 CB SER A 12 9.811 5.999 -8.335 1.00 0.00 C ATOM 156 OG SER A 12 10.081 7.141 -7.536 1.00 0.00 O ATOM 0 H SER A 12 7.598 4.969 -7.053 1.00 0.00 H new ATOM 0 HA SER A 12 8.067 6.922 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.056 5.092 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.440 6.010 -9.225 1.00 0.00 H new ATOM 0 HG SER A 12 11.027 7.145 -7.280 1.00 0.00 H new ATOM 162 N LEU A 13 8.483 5.116 -11.026 1.00 0.00 N ATOM 163 CA LEU A 13 8.306 4.173 -12.143 1.00 0.00 C ATOM 164 C LEU A 13 8.864 2.772 -11.858 1.00 0.00 C ATOM 165 O LEU A 13 8.270 1.784 -12.275 1.00 0.00 O ATOM 166 CB LEU A 13 8.881 4.739 -13.455 1.00 0.00 C ATOM 167 CG LEU A 13 10.408 4.924 -13.585 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.730 5.274 -15.037 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.946 6.053 -12.706 1.00 0.00 C ATOM 0 H LEU A 13 8.966 5.973 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 13 7.229 4.054 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.559 4.084 -14.265 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.416 5.710 -13.626 1.00 0.00 H new ATOM 0 HG LEU A 13 10.876 3.993 -13.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.806 5.409 -15.149 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.396 4.467 -15.689 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.218 6.197 -15.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.025 6.136 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.472 6.993 -12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.725 5.837 -11.661 1.00 0.00 H new ATOM 181 N TYR A 14 9.948 2.675 -11.087 1.00 0.00 N ATOM 182 CA TYR A 14 10.560 1.408 -10.674 1.00 0.00 C ATOM 183 C TYR A 14 9.637 0.556 -9.781 1.00 0.00 C ATOM 184 O TYR A 14 9.745 -0.670 -9.771 1.00 0.00 O ATOM 185 CB TYR A 14 11.875 1.733 -9.951 1.00 0.00 C ATOM 186 CG TYR A 14 12.801 2.654 -10.732 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.323 2.241 -11.974 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.104 3.939 -10.236 1.00 0.00 C ATOM 189 CE1 TYR A 14 14.141 3.111 -12.722 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.924 4.809 -10.979 1.00 0.00 C ATOM 191 CZ TYR A 14 14.443 4.398 -12.228 1.00 0.00 C ATOM 192 OH TYR A 14 15.234 5.233 -12.958 1.00 0.00 O ATOM 0 H TYR A 14 10.437 3.493 -10.723 1.00 0.00 H new ATOM 0 HA TYR A 14 10.745 0.804 -11.562 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.645 2.195 -8.991 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.400 0.802 -9.739 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.096 1.256 -12.353 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.706 4.256 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.537 2.792 -13.675 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.157 5.791 -10.595 1.00 0.00 H new ATOM 0 HH TYR A 14 15.345 6.081 -12.479 1.00 0.00 H new ATOM 202 N GLN A 15 8.703 1.194 -9.065 1.00 0.00 N ATOM 203 CA GLN A 15 7.645 0.534 -8.293 1.00 0.00 C ATOM 204 C GLN A 15 6.444 0.204 -9.190 1.00 0.00 C ATOM 205 O GLN A 15 5.960 -0.927 -9.174 1.00 0.00 O ATOM 206 CB GLN A 15 7.207 1.432 -7.124 1.00 0.00 C ATOM 207 CG GLN A 15 8.351 1.845 -6.190 1.00 0.00 C ATOM 208 CD GLN A 15 7.816 2.793 -5.130 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.957 4.003 -5.221 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.120 2.290 -4.133 1.00 0.00 N ATOM 0 H GLN A 15 8.662 2.211 -9.006 1.00 0.00 H new ATOM 0 HA GLN A 15 8.040 -0.400 -7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.738 2.330 -7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.448 0.909 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.788 0.964 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.145 2.329 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.000 1.280 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.701 2.910 -3.440 1.00 0.00 H new ATOM 219 N LEU A 16 6.001 1.156 -10.025 1.00 0.00 N ATOM 220 CA LEU A 16 4.880 0.957 -10.953 1.00 0.00 C ATOM 221 C LEU A 16 5.129 -0.198 -11.941 1.00 0.00 C ATOM 222 O LEU A 16 4.246 -1.025 -12.159 1.00 0.00 O ATOM 223 CB LEU A 16 4.545 2.271 -11.679 1.00 0.00 C ATOM 224 CG LEU A 16 4.128 3.464 -10.792 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.704 4.638 -11.674 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.966 3.146 -9.851 1.00 0.00 C ATOM 0 H LEU A 16 6.412 2.088 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 16 4.013 0.663 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.416 2.569 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.739 2.074 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 16 4.999 3.705 -10.183 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.410 5.478 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.538 4.935 -12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.861 4.339 -12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.726 4.029 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.094 2.853 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.248 2.329 -9.187 1.00 0.00 H new ATOM 238 N GLU A 17 6.358 -0.324 -12.447 1.00 0.00 N ATOM 239 CA GLU A 17 6.825 -1.452 -13.268 1.00 0.00 C ATOM 240 C GLU A 17 6.608 -2.814 -12.575 1.00 0.00 C ATOM 241 O GLU A 17 6.218 -3.788 -13.221 1.00 0.00 O ATOM 242 CB GLU A 17 8.330 -1.280 -13.545 1.00 0.00 C ATOM 243 CG GLU A 17 8.640 -0.255 -14.646 1.00 0.00 C ATOM 244 CD GLU A 17 8.755 -0.912 -16.032 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.800 -1.590 -16.478 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.793 -0.713 -16.711 1.00 0.00 O1- ATOM 0 H GLU A 17 7.082 0.378 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 17 6.245 -1.448 -14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.827 -0.974 -12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.751 -2.244 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.856 0.501 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.572 0.259 -14.410 1.00 0.00 H new ATOM 253 N ASN A 18 6.817 -2.884 -11.253 1.00 0.00 N ATOM 254 CA ASN A 18 6.655 -4.108 -10.460 1.00 0.00 C ATOM 255 C ASN A 18 5.176 -4.420 -10.168 1.00 0.00 C ATOM 256 O ASN A 18 4.797 -5.592 -10.158 1.00 0.00 O ATOM 257 CB ASN A 18 7.474 -4.001 -9.159 1.00 0.00 C ATOM 258 CG ASN A 18 8.984 -3.972 -9.358 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.525 -4.243 -10.423 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.724 -3.675 -8.313 1.00 0.00 N ATOM 0 H ASN A 18 7.108 -2.079 -10.697 1.00 0.00 H new ATOM 0 HA ASN A 18 7.035 -4.943 -11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.174 -3.097 -8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.222 -4.845 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.741 -3.671 -8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.281 -3.448 -7.423 1.00 0.00 H new ATOM 267 N TYR A 19 4.322 -3.405 -9.991 1.00 0.00 N ATOM 268 CA TYR A 19 2.870 -3.601 -9.845 1.00 0.00 C ATOM 269 C TYR A 19 2.209 -4.060 -11.161 1.00 0.00 C ATOM 270 O TYR A 19 1.247 -4.831 -11.134 1.00 0.00 O ATOM 271 CB TYR A 19 2.204 -2.317 -9.328 1.00 0.00 C ATOM 272 CG TYR A 19 2.796 -1.713 -8.062 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.036 -2.496 -6.915 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.071 -0.335 -8.028 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.566 -1.898 -5.751 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.625 0.262 -6.883 1.00 0.00 C ATOM 277 CZ TYR A 19 3.875 -0.521 -5.738 1.00 0.00 C ATOM 278 OH TYR A 19 4.383 0.060 -4.617 1.00 0.00 O ATOM 0 H TYR A 19 4.613 -2.429 -9.945 1.00 0.00 H new ATOM 0 HA TYR A 19 2.723 -4.397 -9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.248 -1.567 -10.118 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.150 -2.527 -9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.815 -3.553 -6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.854 0.273 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.735 -2.496 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.858 1.316 -6.880 1.00 0.00 H new ATOM 0 HH TYR A 19 4.538 1.013 -4.784 1.00 0.00 H new ATOM 288 N CYS A 20 2.743 -3.636 -12.313 1.00 0.00 N ATOM 289 CA CYS A 20 2.305 -4.078 -13.645 1.00 0.00 C ATOM 290 C CYS A 20 2.770 -5.503 -14.018 1.00 0.00 C ATOM 291 O CYS A 20 2.192 -6.120 -14.917 1.00 0.00 O ATOM 292 CB CYS A 20 2.819 -3.071 -14.681 1.00 0.00 C ATOM 293 SG CYS A 20 2.098 -1.414 -14.563 1.00 0.00 S ATOM 0 H CYS A 20 3.508 -2.962 -12.347 1.00 0.00 H new ATOM 0 HA CYS A 20 1.216 -4.119 -13.632 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.901 -2.988 -14.579 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.622 -3.466 -15.678 1.00 0.00 H new ATOM 298 N ASN A 21 3.802 -6.042 -13.356 1.00 0.00 N ATOM 299 CA ASN A 21 4.373 -7.361 -13.649 1.00 0.00 C ATOM 300 C ASN A 21 3.421 -8.508 -13.251 1.00 0.00 C ATOM 301 O ASN A 21 3.110 -8.709 -12.067 1.00 0.00 O ATOM 302 CB ASN A 21 5.760 -7.466 -12.983 1.00 0.00 C ATOM 303 CG ASN A 21 6.517 -8.740 -13.335 1.00 0.00 C ATOM 304 OD1 ASN A 21 6.085 -9.572 -14.122 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.684 -8.934 -12.764 1.00 0.00 N ATOM 0 H ASN A 21 4.272 -5.564 -12.587 1.00 0.00 H new ATOM 0 HA ASN A 21 4.502 -7.467 -14.726 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.360 -6.605 -13.278 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.638 -7.414 -11.901 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.223 -9.773 -12.978 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.051 -8.245 -12.107 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 5.801 10.260 -18.496 1.00 0.00 N ATOM 314 CA PHE B 1 5.365 10.219 -17.099 1.00 0.00 C ATOM 315 C PHE B 1 6.212 11.133 -16.196 1.00 0.00 C ATOM 316 O PHE B 1 7.445 11.114 -16.248 1.00 0.00 O ATOM 317 CB PHE B 1 5.408 8.761 -16.603 1.00 0.00 C ATOM 318 CG PHE B 1 5.152 8.528 -15.119 1.00 0.00 C ATOM 319 CD1 PHE B 1 4.060 9.128 -14.460 1.00 0.00 C ATOM 320 CD2 PHE B 1 6.013 7.681 -14.392 1.00 0.00 C ATOM 321 CE1 PHE B 1 3.835 8.885 -13.096 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.783 7.433 -13.026 1.00 0.00 C ATOM 323 CZ PHE B 1 4.688 8.030 -12.379 1.00 0.00 C ATOM 0 H1 PHE B 1 5.202 9.629 -19.065 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.721 11.232 -18.856 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.791 9.948 -18.560 1.00 0.00 H new ATOM 0 HA PHE B 1 4.344 10.597 -17.046 1.00 0.00 H new ATOM 0 HB2 PHE B 1 4.672 8.189 -17.168 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.387 8.349 -16.847 1.00 0.00 H new ATOM 0 HD1 PHE B 1 3.393 9.778 -15.007 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.855 7.219 -14.887 1.00 0.00 H new ATOM 0 HE1 PHE B 1 3.003 9.357 -12.596 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.448 6.784 -12.475 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.503 7.832 -11.334 1.00 0.00 H new ATOM 333 N VAL B 2 5.535 11.882 -15.320 1.00 0.00 N ATOM 334 CA VAL B 2 6.109 12.537 -14.133 1.00 0.00 C ATOM 335 C VAL B 2 5.268 12.183 -12.905 1.00 0.00 C ATOM 336 O VAL B 2 4.041 12.315 -12.916 1.00 0.00 O ATOM 337 CB VAL B 2 6.255 14.067 -14.295 1.00 0.00 C ATOM 338 CG1 VAL B 2 7.407 14.403 -15.249 1.00 0.00 C ATOM 339 CG2 VAL B 2 4.993 14.782 -14.801 1.00 0.00 C ATOM 0 H VAL B 2 4.535 12.057 -15.419 1.00 0.00 H new ATOM 0 HA VAL B 2 7.124 12.160 -14.003 1.00 0.00 H new ATOM 0 HB VAL B 2 6.451 14.431 -13.286 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.493 15.485 -15.349 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.338 14.001 -14.851 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.210 13.963 -16.226 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.189 15.851 -14.884 1.00 0.00 H new ATOM 0 HG22 VAL B 2 4.718 14.387 -15.779 1.00 0.00 H new ATOM 0 HG23 VAL B 2 4.175 14.616 -14.100 1.00 0.00 H new ATOM 349 N ASN B 3 5.919 11.699 -11.846 1.00 0.00 N ATOM 350 CA ASN B 3 5.244 11.270 -10.618 1.00 0.00 C ATOM 351 C ASN B 3 4.764 12.421 -9.713 1.00 0.00 C ATOM 352 O ASN B 3 5.151 13.584 -9.846 1.00 0.00 O ATOM 353 CB ASN B 3 6.093 10.263 -9.816 1.00 0.00 C ATOM 354 CG ASN B 3 7.508 10.697 -9.448 1.00 0.00 C ATOM 355 OD1 ASN B 3 8.014 11.747 -9.816 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.206 9.860 -8.720 1.00 0.00 N ATOM 0 H ASN B 3 6.933 11.593 -11.815 1.00 0.00 H new ATOM 0 HA ASN B 3 4.340 10.770 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN B 3 5.560 10.026 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.160 9.340 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.167 10.086 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.788 8.982 -8.410 1.00 0.00 H new ATOM 363 N GLN B 4 3.899 12.038 -8.774 1.00 0.00 N ATOM 364 CA GLN B 4 3.283 12.825 -7.718 1.00 0.00 C ATOM 365 C GLN B 4 2.745 11.841 -6.656 1.00 0.00 C ATOM 366 O GLN B 4 3.037 10.641 -6.683 1.00 0.00 O ATOM 367 CB GLN B 4 2.184 13.724 -8.334 1.00 0.00 C ATOM 368 CG GLN B 4 1.062 12.965 -9.067 1.00 0.00 C ATOM 369 CD GLN B 4 0.118 13.920 -9.793 1.00 0.00 C ATOM 370 OE1 GLN B 4 -0.946 14.278 -9.306 1.00 0.00 O ATOM 371 NE2 GLN B 4 0.473 14.381 -10.975 1.00 0.00 N ATOM 0 H GLN B 4 3.584 11.069 -8.735 1.00 0.00 H new ATOM 0 HA GLN B 4 3.993 13.493 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN B 4 1.739 14.324 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.651 14.417 -9.034 1.00 0.00 H new ATOM 0 HG2 GLN B 4 1.500 12.271 -9.784 1.00 0.00 H new ATOM 0 HG3 GLN B 4 0.497 12.369 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN B 4 1.358 14.090 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -0.137 15.029 -11.474 1.00 0.00 H new ATOM 380 N HIS B 5 1.932 12.339 -5.733 1.00 0.00 N ATOM 381 CA HIS B 5 1.202 11.572 -4.710 1.00 0.00 C ATOM 382 C HIS B 5 -0.029 10.878 -5.323 1.00 0.00 C ATOM 383 O HIS B 5 -1.182 11.243 -5.078 1.00 0.00 O ATOM 384 CB HIS B 5 0.825 12.489 -3.539 1.00 0.00 C ATOM 385 CG HIS B 5 1.988 13.149 -2.835 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.381 12.901 -1.517 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.792 14.124 -3.355 1.00 0.00 C ATOM 388 CE1 HIS B 5 3.409 13.731 -1.272 1.00 0.00 C ATOM 389 NE2 HIS B 5 3.671 14.483 -2.355 1.00 0.00 N ATOM 0 H HIS B 5 1.749 13.340 -5.667 1.00 0.00 H new ATOM 0 HA HIS B 5 1.849 10.785 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.157 13.267 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.263 11.906 -2.809 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.748 14.533 -4.353 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.948 13.786 -0.338 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.396 15.197 -2.425 1.00 0.00 H new ATOM 397 N LEU B 6 0.238 9.926 -6.215 1.00 0.00 N ATOM 398 CA LEU B 6 -0.737 9.282 -7.097 1.00 0.00 C ATOM 399 C LEU B 6 -1.787 8.470 -6.327 1.00 0.00 C ATOM 400 O LEU B 6 -1.460 7.582 -5.539 1.00 0.00 O ATOM 401 CB LEU B 6 0.017 8.382 -8.086 1.00 0.00 C ATOM 402 CG LEU B 6 0.829 9.149 -9.136 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.817 8.190 -9.791 1.00 0.00 C ATOM 404 CD2 LEU B 6 -0.074 9.760 -10.208 1.00 0.00 C ATOM 0 H LEU B 6 1.183 9.565 -6.350 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.283 10.062 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.689 7.730 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.701 7.739 -8.596 1.00 0.00 H new ATOM 0 HG LEU B 6 1.356 9.963 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.401 8.725 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.486 7.783 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.272 7.376 -10.269 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.536 10.296 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.628 8.968 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.775 10.452 -9.742 1.00 0.00 H new ATOM 416 N CYS B 7 -3.063 8.745 -6.597 1.00 0.00 N ATOM 417 CA CYS B 7 -4.193 8.089 -5.931 1.00 0.00 C ATOM 418 C CYS B 7 -5.444 8.035 -6.830 1.00 0.00 C ATOM 419 O CYS B 7 -5.562 8.811 -7.781 1.00 0.00 O ATOM 420 CB CYS B 7 -4.459 8.822 -4.608 1.00 0.00 C ATOM 421 SG CYS B 7 -5.246 7.805 -3.333 1.00 0.00 S ATOM 0 H CYS B 7 -3.346 9.436 -7.291 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.942 7.048 -5.725 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.513 9.201 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.092 9.687 -4.807 1.00 0.00 H new ATOM 426 N GLY B 8 -6.376 7.117 -6.552 1.00 0.00 N ATOM 427 CA GLY B 8 -7.632 6.974 -7.303 1.00 0.00 C ATOM 428 C GLY B 8 -7.420 6.731 -8.804 1.00 0.00 C ATOM 429 O GLY B 8 -6.552 5.953 -9.208 1.00 0.00 O ATOM 0 H GLY B 8 -6.280 6.444 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -8.204 6.145 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -8.231 7.875 -7.169 1.00 0.00 H new ATOM 433 N SER B 9 -8.191 7.423 -9.645 1.00 0.00 N ATOM 434 CA SER B 9 -8.081 7.347 -11.111 1.00 0.00 C ATOM 435 C SER B 9 -6.721 7.818 -11.647 1.00 0.00 C ATOM 436 O SER B 9 -6.213 7.239 -12.607 1.00 0.00 O ATOM 437 CB SER B 9 -9.212 8.153 -11.762 1.00 0.00 C ATOM 438 OG SER B 9 -9.247 9.481 -11.259 1.00 0.00 O ATOM 0 H SER B 9 -8.920 8.062 -9.327 1.00 0.00 H new ATOM 0 HA SER B 9 -8.169 6.293 -11.376 1.00 0.00 H new ATOM 0 HB2 SER B 9 -9.073 8.174 -12.843 1.00 0.00 H new ATOM 0 HB3 SER B 9 -10.167 7.664 -11.573 1.00 0.00 H new ATOM 0 HG SER B 9 -9.975 9.975 -11.690 1.00 0.00 H new ATOM 444 N HIS B 10 -6.076 8.797 -10.999 1.00 0.00 N ATOM 445 CA HIS B 10 -4.744 9.292 -11.389 1.00 0.00 C ATOM 446 C HIS B 10 -3.662 8.214 -11.257 1.00 0.00 C ATOM 447 O HIS B 10 -2.781 8.127 -12.110 1.00 0.00 O ATOM 448 CB HIS B 10 -4.375 10.525 -10.548 1.00 0.00 C ATOM 449 CG HIS B 10 -5.335 11.686 -10.686 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.852 12.437 -9.625 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.838 12.178 -11.856 1.00 0.00 C ATOM 452 CE1 HIS B 10 -6.660 13.358 -10.181 1.00 0.00 C ATOM 453 NE2 HIS B 10 -6.669 13.224 -11.518 1.00 0.00 N ATOM 0 H HIS B 10 -6.464 9.272 -10.184 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.793 9.570 -12.442 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.326 10.233 -9.499 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -3.377 10.859 -10.833 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -5.626 11.818 -12.852 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -7.221 14.099 -9.631 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -7.201 13.799 -12.172 1.00 0.00 H new ATOM 461 N LEU B 11 -3.755 7.355 -10.237 1.00 0.00 N ATOM 462 CA LEU B 11 -2.857 6.210 -10.043 1.00 0.00 C ATOM 463 C LEU B 11 -3.021 5.160 -11.151 1.00 0.00 C ATOM 464 O LEU B 11 -2.026 4.676 -11.692 1.00 0.00 O ATOM 465 CB LEU B 11 -3.137 5.628 -8.646 1.00 0.00 C ATOM 466 CG LEU B 11 -2.293 4.415 -8.227 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.801 4.739 -8.209 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.726 3.996 -6.820 1.00 0.00 C ATOM 0 H LEU B 11 -4.467 7.436 -9.511 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.819 6.535 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.987 6.419 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.188 5.345 -8.599 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.452 3.615 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.240 3.854 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.484 5.048 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.613 5.547 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.140 3.135 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.564 4.823 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.784 3.732 -6.828 1.00 0.00 H new ATOM 480 N VAL B 12 -4.268 4.856 -11.529 1.00 0.00 N ATOM 481 CA VAL B 12 -4.585 3.926 -12.626 1.00 0.00 C ATOM 482 C VAL B 12 -4.072 4.466 -13.965 1.00 0.00 C ATOM 483 O VAL B 12 -3.442 3.727 -14.717 1.00 0.00 O ATOM 484 CB VAL B 12 -6.098 3.625 -12.686 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.452 2.660 -13.824 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.583 2.982 -11.378 1.00 0.00 C ATOM 0 H VAL B 12 -5.095 5.250 -11.080 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.072 2.985 -12.426 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.586 4.585 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.527 2.478 -13.826 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -6.156 3.098 -14.777 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.925 1.717 -13.679 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.652 2.780 -11.446 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.047 2.048 -11.211 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.395 3.661 -10.547 1.00 0.00 H new ATOM 496 N GLU B 13 -4.261 5.758 -14.247 1.00 0.00 N ATOM 497 CA GLU B 13 -3.743 6.395 -15.466 1.00 0.00 C ATOM 498 C GLU B 13 -2.207 6.443 -15.499 1.00 0.00 C ATOM 499 O GLU B 13 -1.611 6.133 -16.529 1.00 0.00 O ATOM 500 CB GLU B 13 -4.319 7.812 -15.620 1.00 0.00 C ATOM 501 CG GLU B 13 -5.796 7.797 -16.032 1.00 0.00 C ATOM 502 CD GLU B 13 -6.302 9.227 -16.285 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.751 9.906 -15.331 1.00 0.00 O ATOM 504 OE2 GLU B 13 -6.253 9.685 -17.452 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.777 6.394 -13.638 1.00 0.00 H new ATOM 0 HA GLU B 13 -4.066 5.779 -16.305 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.212 8.350 -14.678 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.741 8.358 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.922 7.196 -16.933 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.393 7.327 -15.250 1.00 0.00 H new ATOM 511 N ALA B 14 -1.544 6.772 -14.386 1.00 0.00 N ATOM 512 CA ALA B 14 -0.085 6.858 -14.322 1.00 0.00 C ATOM 513 C ALA B 14 0.612 5.504 -14.541 1.00 0.00 C ATOM 514 O ALA B 14 1.631 5.442 -15.235 1.00 0.00 O ATOM 515 CB ALA B 14 0.301 7.462 -12.973 1.00 0.00 C ATOM 0 H ALA B 14 -2.007 6.986 -13.503 1.00 0.00 H new ATOM 0 HA ALA B 14 0.257 7.494 -15.138 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.386 7.535 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -0.136 8.456 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.071 6.826 -12.170 1.00 0.00 H new ATOM 521 N LEU B 15 0.050 4.409 -14.010 1.00 0.00 N ATOM 522 CA LEU B 15 0.615 3.071 -14.212 1.00 0.00 C ATOM 523 C LEU B 15 0.295 2.554 -15.624 1.00 0.00 C ATOM 524 O LEU B 15 1.166 1.993 -16.282 1.00 0.00 O ATOM 525 CB LEU B 15 0.253 2.131 -13.043 1.00 0.00 C ATOM 526 CG LEU B 15 -1.196 1.616 -12.952 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.450 0.375 -13.814 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.520 1.221 -11.509 1.00 0.00 C ATOM 0 H LEU B 15 -0.794 4.425 -13.438 1.00 0.00 H new ATOM 0 HA LEU B 15 1.704 3.114 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.913 1.265 -13.094 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.482 2.651 -12.113 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.823 2.433 -13.309 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.489 0.063 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.249 0.611 -14.859 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.793 -0.433 -13.492 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.546 0.858 -11.453 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.839 0.434 -11.185 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.406 2.089 -10.860 1.00 0.00 H new ATOM 540 N TYR B 16 -0.896 2.850 -16.155 1.00 0.00 N ATOM 541 CA TYR B 16 -1.246 2.590 -17.556 1.00 0.00 C ATOM 542 C TYR B 16 -0.296 3.312 -18.531 1.00 0.00 C ATOM 543 O TYR B 16 0.116 2.727 -19.535 1.00 0.00 O ATOM 544 CB TYR B 16 -2.711 3.001 -17.774 1.00 0.00 C ATOM 545 CG TYR B 16 -3.081 3.369 -19.196 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.438 2.377 -20.128 1.00 0.00 C ATOM 547 CD2 TYR B 16 -3.047 4.723 -19.577 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.772 2.742 -21.448 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.374 5.090 -20.896 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.743 4.102 -21.834 1.00 0.00 C ATOM 551 OH TYR B 16 -4.076 4.468 -23.102 1.00 0.00 O ATOM 0 H TYR B 16 -1.651 3.280 -15.620 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.132 1.527 -17.766 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.352 2.181 -17.451 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.931 3.851 -17.128 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.456 1.338 -19.833 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.770 5.480 -18.858 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.050 1.983 -22.164 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.343 6.129 -21.191 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.235 5.434 -23.132 1.00 0.00 H new ATOM 561 N LEU B 17 0.111 4.547 -18.220 1.00 0.00 N ATOM 562 CA LEU B 17 1.009 5.347 -19.055 1.00 0.00 C ATOM 563 C LEU B 17 2.428 4.775 -19.085 1.00 0.00 C ATOM 564 O LEU B 17 2.986 4.557 -20.162 1.00 0.00 O ATOM 565 CB LEU B 17 1.036 6.796 -18.535 1.00 0.00 C ATOM 566 CG LEU B 17 -0.137 7.668 -19.021 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.223 8.949 -18.191 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.040 8.072 -20.484 1.00 0.00 C ATOM 0 H LEU B 17 -0.180 5.025 -17.367 1.00 0.00 H new ATOM 0 HA LEU B 17 0.628 5.323 -20.076 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.032 6.778 -17.445 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.972 7.262 -18.843 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.045 7.075 -18.912 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.056 9.556 -18.545 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.379 8.694 -17.143 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.705 9.512 -18.293 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.804 8.687 -20.796 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.963 8.640 -20.595 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.087 7.178 -21.105 1.00 0.00 H new ATOM 580 N VAL B 18 3.005 4.509 -17.910 1.00 0.00 N ATOM 581 CA VAL B 18 4.389 4.026 -17.804 1.00 0.00 C ATOM 582 C VAL B 18 4.529 2.587 -18.306 1.00 0.00 C ATOM 583 O VAL B 18 5.506 2.269 -18.986 1.00 0.00 O ATOM 584 CB VAL B 18 4.911 4.234 -16.372 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.363 3.265 -15.329 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.427 4.114 -16.281 1.00 0.00 C ATOM 0 H VAL B 18 2.534 4.620 -17.012 1.00 0.00 H new ATOM 0 HA VAL B 18 5.024 4.618 -18.463 1.00 0.00 H new ATOM 0 HB VAL B 18 4.559 5.241 -16.150 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.793 3.497 -14.355 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.278 3.360 -15.278 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.625 2.244 -15.607 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.743 4.269 -15.249 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.734 3.121 -16.609 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.890 4.866 -16.920 1.00 0.00 H new ATOM 596 N CYS B 19 3.532 1.733 -18.058 1.00 0.00 N ATOM 597 CA CYS B 19 3.566 0.319 -18.411 1.00 0.00 C ATOM 598 C CYS B 19 3.077 0.042 -19.841 1.00 0.00 C ATOM 599 O CYS B 19 3.546 -0.902 -20.476 1.00 0.00 O ATOM 600 CB CYS B 19 2.750 -0.446 -17.370 1.00 0.00 C ATOM 601 SG CYS B 19 3.381 -0.298 -15.675 1.00 0.00 S ATOM 0 H CYS B 19 2.666 2.014 -17.598 1.00 0.00 H new ATOM 0 HA CYS B 19 4.601 -0.023 -18.402 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.721 -0.087 -17.395 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.726 -1.500 -17.646 1.00 0.00 H new ATOM 606 N GLY B 20 2.196 0.882 -20.395 1.00 0.00 N ATOM 607 CA GLY B 20 1.707 0.760 -21.774 1.00 0.00 C ATOM 608 C GLY B 20 2.812 0.882 -22.830 1.00 0.00 C ATOM 609 O GLY B 20 2.742 0.233 -23.874 1.00 0.00 O ATOM 0 H GLY B 20 1.797 1.675 -19.893 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.209 -0.203 -21.890 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.957 1.530 -21.954 1.00 0.00 H new ATOM 613 N GLU B 21 3.883 1.621 -22.524 1.00 0.00 N ATOM 614 CA GLU B 21 5.085 1.735 -23.367 1.00 0.00 C ATOM 615 C GLU B 21 5.836 0.398 -23.523 1.00 0.00 C ATOM 616 O GLU B 21 6.420 0.119 -24.572 1.00 0.00 O ATOM 617 CB GLU B 21 5.984 2.831 -22.760 1.00 0.00 C ATOM 618 CG GLU B 21 7.185 3.247 -23.622 1.00 0.00 C ATOM 619 CD GLU B 21 6.757 4.017 -24.889 1.00 0.00 C ATOM 620 OE1 GLU B 21 6.564 5.255 -24.813 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 6.625 3.397 -25.972 1.00 0.00 O ATOM 0 H GLU B 21 3.943 2.169 -21.666 1.00 0.00 H new ATOM 0 HA GLU B 21 4.788 2.009 -24.379 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.373 3.713 -22.567 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.353 2.482 -21.796 1.00 0.00 H new ATOM 0 HG2 GLU B 21 7.856 3.870 -23.030 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.747 2.359 -23.912 1.00 0.00 H new ATOM 628 N ARG B 22 5.768 -0.460 -22.499 1.00 0.00 N ATOM 629 CA ARG B 22 6.289 -1.838 -22.489 1.00 0.00 C ATOM 630 C ARG B 22 5.282 -2.847 -23.056 1.00 0.00 C ATOM 631 O ARG B 22 5.679 -3.814 -23.705 1.00 0.00 O ATOM 632 CB ARG B 22 6.684 -2.238 -21.057 1.00 0.00 C ATOM 633 CG ARG B 22 7.825 -1.432 -20.432 1.00 0.00 C ATOM 634 CD ARG B 22 7.457 -0.025 -19.955 1.00 0.00 C ATOM 635 NE ARG B 22 8.445 0.425 -18.969 1.00 0.00 N ATOM 636 CZ ARG B 22 8.865 1.648 -18.717 1.00 0.00 C ATOM 637 NH1 ARG B 22 8.314 2.704 -19.240 1.00 0.00 N ATOM 638 NH2 ARG B 22 9.860 1.806 -17.898 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.330 -0.205 -21.614 1.00 0.00 H new ATOM 0 HA ARG B 22 7.167 -1.859 -23.135 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.806 -2.144 -20.418 1.00 0.00 H new ATOM 0 HB3 ARG B 22 6.966 -3.291 -21.059 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.220 -1.992 -19.584 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.630 -1.350 -21.162 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.430 0.663 -20.800 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.460 -0.027 -19.514 1.00 0.00 H new ATOM 0 HE ARG B 22 8.865 -0.310 -18.400 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.522 2.605 -19.875 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.674 3.631 -19.015 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.299 0.993 -17.465 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.203 2.743 -17.687 1.00 0.00 H new ATOM 652 N GLY B 23 3.986 -2.617 -22.825 1.00 0.00 N ATOM 653 CA GLY B 23 2.883 -3.472 -23.282 1.00 0.00 C ATOM 654 C GLY B 23 2.582 -3.399 -24.786 1.00 0.00 C ATOM 655 O GLY B 23 2.057 -4.358 -25.354 1.00 0.00 O ATOM 0 H GLY B 23 3.664 -1.805 -22.298 1.00 0.00 H new ATOM 0 HA2 GLY B 23 3.114 -4.505 -23.023 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.981 -3.200 -22.733 1.00 0.00 H new HETATM 659 N DHI B 24 2.921 -2.278 -25.432 1.00 0.00 N HETATM 660 CA DHI B 24 2.727 -2.044 -26.875 1.00 0.00 C HETATM 661 C DHI B 24 1.530 -1.139 -27.205 1.00 0.00 C HETATM 662 O DHI B 24 0.975 -1.240 -28.300 1.00 0.00 O HETATM 663 CB DHI B 24 4.027 -1.495 -27.483 1.00 0.00 C HETATM 664 CG DHI B 24 5.113 -2.538 -27.587 1.00 0.00 C HETATM 665 ND1 DHI B 24 5.141 -3.587 -28.512 1.00 0.00 N HETATM 666 CD2 DHI B 24 6.219 -2.627 -26.791 1.00 0.00 C HETATM 667 CE1 DHI B 24 6.262 -4.283 -28.250 1.00 0.00 C HETATM 668 NE2 DHI B 24 6.926 -3.728 -27.221 1.00 0.00 N HETATM 0 HE2 DHI B 24 7.804 -4.065 -26.826 1.00 0.00 H new HETATM 0 HE1 DHI B 24 6.586 -5.170 -28.794 1.00 0.00 H new HETATM 0 HD2 DHI B 24 6.490 -1.957 -25.975 1.00 0.00 H new HETATM 0 HD1 DHI B 24 4.452 -3.784 -29.238 1.00 0.00 H new HETATM 0 HB3 DHI B 24 3.818 -1.096 -28.475 1.00 0.00 H new HETATM 0 HB2 DHI B 24 4.385 -0.665 -26.874 1.00 0.00 H new HETATM 0 HA DHI B 24 2.484 -3.007 -27.325 1.00 0.00 H new ATOM 676 N PHE B 25 1.101 -0.279 -26.275 1.00 0.00 N ATOM 677 CA PHE B 25 -0.046 0.618 -26.456 1.00 0.00 C ATOM 678 C PHE B 25 0.309 1.829 -27.335 1.00 0.00 C ATOM 679 O PHE B 25 1.367 2.445 -27.173 1.00 0.00 O ATOM 680 CB PHE B 25 -0.594 1.068 -25.092 1.00 0.00 C ATOM 681 CG PHE B 25 -1.370 0.002 -24.336 1.00 0.00 C ATOM 682 CD1 PHE B 25 -0.702 -1.076 -23.720 1.00 0.00 C ATOM 683 CD2 PHE B 25 -2.774 0.088 -24.244 1.00 0.00 C ATOM 684 CE1 PHE B 25 -1.428 -2.052 -23.013 1.00 0.00 C ATOM 685 CE2 PHE B 25 -3.500 -0.889 -23.538 1.00 0.00 C ATOM 686 CZ PHE B 25 -2.827 -1.957 -22.921 1.00 0.00 C ATOM 0 H PHE B 25 1.547 -0.185 -25.362 1.00 0.00 H new ATOM 0 HA PHE B 25 -0.825 0.061 -26.977 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.239 1.399 -24.472 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -1.242 1.931 -25.243 1.00 0.00 H new ATOM 0 HD1 PHE B 25 0.373 -1.153 -23.791 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -3.295 0.907 -24.717 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.910 -2.874 -22.541 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -4.576 -0.818 -23.470 1.00 0.00 H new ATOM 0 HZ PHE B 25 -3.385 -2.705 -22.376 1.00 0.00 H new ATOM 696 N TYR B 26 -0.601 2.193 -28.243 1.00 0.00 N ATOM 697 CA TYR B 26 -0.454 3.326 -29.166 1.00 0.00 C ATOM 698 C TYR B 26 -1.201 4.570 -28.663 1.00 0.00 C ATOM 699 O TYR B 26 -2.332 4.472 -28.179 1.00 0.00 O ATOM 700 CB TYR B 26 -0.923 2.922 -30.571 1.00 0.00 C ATOM 701 CG TYR B 26 -0.219 1.697 -31.130 1.00 0.00 C ATOM 702 CD1 TYR B 26 1.099 1.803 -31.618 1.00 0.00 C ATOM 703 CD2 TYR B 26 -0.873 0.449 -31.135 1.00 0.00 C ATOM 704 CE1 TYR B 26 1.766 0.662 -32.107 1.00 0.00 C ATOM 705 CE2 TYR B 26 -0.208 -0.693 -31.621 1.00 0.00 C ATOM 706 CZ TYR B 26 1.113 -0.592 -32.107 1.00 0.00 C ATOM 707 OH TYR B 26 1.748 -1.700 -32.578 1.00 0.00 O ATOM 0 H TYR B 26 -1.484 1.696 -28.361 1.00 0.00 H new ATOM 0 HA TYR B 26 0.602 3.592 -29.214 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -1.996 2.731 -30.544 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -0.766 3.760 -31.250 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.599 2.760 -31.617 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -1.885 0.368 -30.766 1.00 0.00 H new ATOM 0 HE1 TYR B 26 2.776 0.745 -32.482 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -0.710 -1.649 -31.622 1.00 0.00 H new ATOM 0 HH TYR B 26 1.153 -2.475 -32.502 1.00 0.00 H new ATOM 717 N THR B 27 -0.572 5.742 -28.794 1.00 0.00 N ATOM 718 CA THR B 27 -1.128 7.066 -28.435 1.00 0.00 C ATOM 719 C THR B 27 -1.780 7.119 -27.027 1.00 0.00 C ATOM 720 O THR B 27 -2.925 7.569 -26.896 1.00 0.00 O ATOM 721 CB THR B 27 -2.062 7.568 -29.567 1.00 0.00 C ATOM 722 OG1 THR B 27 -1.496 7.290 -30.837 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.298 9.081 -29.559 1.00 0.00 C ATOM 0 H THR B 27 0.375 5.805 -29.167 1.00 0.00 H new ATOM 0 HA THR B 27 -0.292 7.760 -28.350 1.00 0.00 H new ATOM 0 HB THR B 27 -3.003 7.048 -29.389 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.098 7.611 -31.541 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.961 9.350 -30.381 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.755 9.373 -28.614 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.346 9.598 -29.677 1.00 0.00 H new ATOM 731 N PRO B 28 -1.123 6.625 -25.950 1.00 0.00 N ATOM 732 CA PRO B 28 -1.751 6.505 -24.633 1.00 0.00 C ATOM 733 C PRO B 28 -1.954 7.877 -23.965 1.00 0.00 C ATOM 734 O PRO B 28 -0.995 8.558 -23.595 1.00 0.00 O ATOM 735 CB PRO B 28 -0.840 5.578 -23.826 1.00 0.00 C ATOM 736 CG PRO B 28 0.544 5.844 -24.417 1.00 0.00 C ATOM 737 CD PRO B 28 0.240 6.103 -25.894 1.00 0.00 C ATOM 0 HA PRO B 28 -2.757 6.091 -24.703 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -0.874 5.808 -22.761 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -1.130 4.533 -23.936 1.00 0.00 H new ATOM 0 HG2 PRO B 28 1.026 6.701 -23.947 1.00 0.00 H new ATOM 0 HG3 PRO B 28 1.210 4.992 -24.285 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.947 6.817 -26.316 1.00 0.00 H new ATOM 0 HD3 PRO B 28 0.328 5.185 -26.475 1.00 0.00 H new ATOM 745 N LYS B 29 -3.226 8.271 -23.813 1.00 0.00 N ATOM 746 CA LYS B 29 -3.697 9.549 -23.228 1.00 0.00 C ATOM 747 C LYS B 29 -3.007 10.820 -23.786 1.00 0.00 C ATOM 748 O LYS B 29 -2.892 11.829 -23.082 1.00 0.00 O ATOM 749 CB LYS B 29 -3.702 9.449 -21.681 1.00 0.00 C ATOM 750 CG LYS B 29 -5.012 9.905 -21.008 1.00 0.00 C ATOM 751 CD LYS B 29 -5.370 11.382 -21.239 1.00 0.00 C ATOM 752 CE LYS B 29 -6.679 11.792 -20.550 1.00 0.00 C ATOM 753 NZ LYS B 29 -6.544 11.891 -19.074 1.00 0.00 N1+ ATOM 0 H LYS B 29 -4.002 7.679 -24.109 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.726 9.694 -23.558 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.505 8.415 -21.397 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -2.881 10.049 -21.289 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.829 9.285 -21.376 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.935 9.727 -19.935 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -4.559 12.010 -20.870 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -5.455 11.567 -22.310 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -7.007 12.753 -20.946 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.455 11.066 -20.792 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.376 12.376 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -6.476 10.936 -18.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -5.686 12.430 -18.839 1.00 0.00 H new ATOM 767 N THR B 30 -2.537 10.784 -25.039 1.00 0.00 N ATOM 768 CA THR B 30 -1.808 11.889 -25.705 1.00 0.00 C ATOM 769 C THR B 30 -2.708 13.099 -25.979 1.00 0.00 C ATOM 770 O THR B 30 -2.319 14.230 -25.608 1.00 0.00 O ATOM 771 CB THR B 30 -1.147 11.421 -27.008 1.00 0.00 C ATOM 772 OG1 THR B 30 -0.452 10.210 -26.787 1.00 0.00 O ATOM 773 CG2 THR B 30 -0.137 12.439 -27.544 1.00 0.00 C ATOM 774 OXT THR B 30 -3.802 12.923 -26.565 1.00 0.00 O1- ATOM 0 H THR B 30 -2.652 9.968 -25.640 1.00 0.00 H new ATOM 0 HA THR B 30 -1.029 12.203 -25.010 1.00 0.00 H new ATOM 0 HB THR B 30 -1.948 11.295 -27.737 1.00 0.00 H new ATOM 0 HG1 THR B 30 -0.034 9.916 -27.623 1.00 0.00 H new ATOM 0 HG21 THR B 30 0.304 12.063 -28.467 1.00 0.00 H new ATOM 0 HG22 THR B 30 -0.643 13.384 -27.742 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.648 12.596 -26.805 1.00 0.00 H new TER 782 THR B 30