USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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: A 5 GLN : amide:sc= 0.802 K(o=1.7,f=-0.43) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.935 K(o=1.7,f=-0.43) USER MOD Set 2.1: A 8 THR OG1 : rot -80:sc= 1.24 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0.413 (180deg=0.389) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00811 K(o=-0.0081,f=-0.76) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0392 (180deg=0) USER MOD Single : B 3 LYS NZ :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= -0.35 X(o=-0.35,f=-0.28) 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 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.22) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0114 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.887 5.137 -3.434 1.00 0.00 N ATOM 2 CA GLY A 1 -5.696 4.733 -4.844 1.00 0.00 C ATOM 3 C GLY A 1 -4.315 4.147 -5.072 1.00 0.00 C ATOM 4 O GLY A 1 -3.318 4.851 -4.912 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.792 5.640 -3.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.894 4.291 -2.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.110 5.764 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.454 3.999 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.838 5.597 -5.494 1.00 0.00 H new ATOM 10 N ILE A 2 -4.235 2.872 -5.467 1.00 0.00 N ATOM 11 CA ILE A 2 -2.972 2.142 -5.705 1.00 0.00 C ATOM 12 C ILE A 2 -2.259 2.664 -6.955 1.00 0.00 C ATOM 13 O ILE A 2 -1.037 2.710 -6.983 1.00 0.00 O ATOM 14 CB ILE A 2 -3.257 0.631 -5.780 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.996 -0.180 -6.151 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.383 0.360 -6.784 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.133 -1.699 -5.985 1.00 0.00 C ATOM 0 H ILE A 2 -5.062 2.300 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.292 2.316 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.570 0.303 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.735 0.036 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.166 0.165 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.578 -0.711 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.287 0.880 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.086 0.718 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.198 -2.182 -6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.360 -1.932 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.938 -2.064 -6.623 1.00 0.00 H new ATOM 29 N VAL A 3 -3.016 3.130 -7.949 1.00 0.00 N ATOM 30 CA VAL A 3 -2.571 3.901 -9.110 1.00 0.00 C ATOM 31 C VAL A 3 -1.559 4.965 -8.743 1.00 0.00 C ATOM 32 O VAL A 3 -0.574 5.104 -9.449 1.00 0.00 O ATOM 33 CB VAL A 3 -3.778 4.590 -9.763 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.413 5.236 -11.110 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.958 3.638 -10.027 1.00 0.00 C ATOM 0 H VAL A 3 -4.023 2.968 -7.965 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.097 3.199 -9.796 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.078 5.346 -9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.296 5.712 -11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.636 5.985 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.048 4.470 -11.794 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.776 4.191 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.638 2.838 -10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.298 3.209 -9.084 1.00 0.00 H new ATOM 45 N GLU A 4 -1.732 5.673 -7.629 1.00 0.00 N ATOM 46 CA GLU A 4 -0.759 6.705 -7.256 1.00 0.00 C ATOM 47 C GLU A 4 0.611 6.073 -6.932 1.00 0.00 C ATOM 48 O GLU A 4 1.651 6.529 -7.407 1.00 0.00 O ATOM 49 CB GLU A 4 -1.298 7.549 -6.094 1.00 0.00 C ATOM 50 CG GLU A 4 -0.399 8.757 -5.794 1.00 0.00 C ATOM 51 CD GLU A 4 -1.017 9.646 -4.697 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.755 9.412 -3.494 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.765 10.597 -5.031 1.00 0.00 O ATOM 0 H GLU A 4 -2.513 5.559 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.608 7.374 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.303 7.896 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.380 6.928 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.585 8.413 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.254 9.342 -6.702 1.00 0.00 H new ATOM 60 N GLN A 5 0.602 4.957 -6.200 1.00 0.00 N ATOM 61 CA GLN A 5 1.772 4.158 -5.830 1.00 0.00 C ATOM 62 C GLN A 5 2.393 3.405 -7.027 1.00 0.00 C ATOM 63 O GLN A 5 3.618 3.336 -7.143 1.00 0.00 O ATOM 64 CB GLN A 5 1.346 3.185 -4.703 1.00 0.00 C ATOM 65 CG GLN A 5 2.001 3.486 -3.343 1.00 0.00 C ATOM 66 CD GLN A 5 3.496 3.167 -3.288 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.908 2.051 -3.002 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.367 4.128 -3.522 1.00 0.00 N ATOM 0 H GLN A 5 -0.265 4.567 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 5 2.559 4.826 -5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.263 3.225 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.598 2.167 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.856 4.540 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.489 2.913 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.041 5.064 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.367 3.935 -3.463 1.00 0.00 H new ATOM 77 N CYS A 6 1.576 2.887 -7.944 1.00 0.00 N ATOM 78 CA CYS A 6 2.020 2.150 -9.124 1.00 0.00 C ATOM 79 C CYS A 6 2.514 3.057 -10.254 1.00 0.00 C ATOM 80 O CYS A 6 3.542 2.772 -10.862 1.00 0.00 O ATOM 81 CB CYS A 6 0.888 1.260 -9.646 1.00 0.00 C ATOM 82 SG CYS A 6 0.689 -0.319 -8.825 1.00 0.00 S ATOM 0 H CYS A 6 0.561 2.971 -7.884 1.00 0.00 H new ATOM 0 HA CYS A 6 2.867 1.543 -8.805 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.049 1.811 -9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.057 1.077 -10.707 1.00 0.00 H new ATOM 87 N CYS A 7 1.785 4.128 -10.568 1.00 0.00 N ATOM 88 CA CYS A 7 2.032 4.937 -11.758 1.00 0.00 C ATOM 89 C CYS A 7 3.159 5.958 -11.513 1.00 0.00 C ATOM 90 O CYS A 7 3.997 6.166 -12.392 1.00 0.00 O ATOM 91 CB CYS A 7 0.707 5.617 -12.167 1.00 0.00 C ATOM 92 SG CYS A 7 0.796 6.780 -13.556 1.00 0.00 S ATOM 0 H CYS A 7 1.004 4.459 -10.001 1.00 0.00 H new ATOM 0 HA CYS A 7 2.373 4.303 -12.577 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.014 4.839 -12.418 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.313 6.148 -11.300 1.00 0.00 H new ATOM 97 N THR A 8 3.221 6.571 -10.316 1.00 0.00 N ATOM 98 CA THR A 8 4.274 7.555 -9.969 1.00 0.00 C ATOM 99 C THR A 8 5.535 6.909 -9.398 1.00 0.00 C ATOM 100 O THR A 8 6.638 7.411 -9.642 1.00 0.00 O ATOM 101 CB THR A 8 3.801 8.652 -8.996 1.00 0.00 C ATOM 102 OG1 THR A 8 3.717 8.207 -7.660 1.00 0.00 O ATOM 103 CG2 THR A 8 2.455 9.252 -9.380 1.00 0.00 C ATOM 0 H THR A 8 2.551 6.403 -9.566 1.00 0.00 H new ATOM 0 HA THR A 8 4.512 8.020 -10.926 1.00 0.00 H new ATOM 0 HB THR A 8 4.572 9.419 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.882 7.711 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.178 10.018 -8.656 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.525 9.699 -10.372 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.697 8.469 -9.388 1.00 0.00 H new ATOM 111 N SER A 9 5.386 5.806 -8.650 1.00 0.00 N ATOM 112 CA SER A 9 6.489 5.067 -8.027 1.00 0.00 C ATOM 113 C SER A 9 6.582 3.655 -8.628 1.00 0.00 C ATOM 114 O SER A 9 6.573 3.521 -9.850 1.00 0.00 O ATOM 115 CB SER A 9 6.397 5.097 -6.490 1.00 0.00 C ATOM 116 OG SER A 9 6.247 6.420 -5.996 1.00 0.00 O ATOM 0 H SER A 9 4.472 5.395 -8.458 1.00 0.00 H new ATOM 0 HA SER A 9 7.432 5.563 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.552 4.490 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.295 4.649 -6.063 1.00 0.00 H new ATOM 0 HG SER A 9 6.190 6.399 -5.018 1.00 0.00 H new ATOM 122 N ILE A 10 6.702 2.604 -7.809 1.00 0.00 N ATOM 123 CA ILE A 10 6.838 1.205 -8.243 1.00 0.00 C ATOM 124 C ILE A 10 5.972 0.269 -7.392 1.00 0.00 C ATOM 125 O ILE A 10 5.794 0.495 -6.193 1.00 0.00 O ATOM 126 CB ILE A 10 8.319 0.756 -8.232 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.997 1.044 -6.871 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.093 1.408 -9.392 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.418 0.496 -6.744 1.00 0.00 C ATOM 0 H ILE A 10 6.708 2.705 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 10 6.479 1.145 -9.270 1.00 0.00 H new ATOM 0 HB ILE A 10 8.338 -0.324 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.021 2.122 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.384 0.618 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.132 1.079 -9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.643 1.114 -10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.053 2.493 -9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.817 0.743 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.403 -0.587 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.049 0.940 -7.513 1.00 0.00 H new ATOM 141 N CYS A 11 5.448 -0.791 -8.010 1.00 0.00 N ATOM 142 CA CYS A 11 4.573 -1.776 -7.367 1.00 0.00 C ATOM 143 C CYS A 11 4.771 -3.202 -7.918 1.00 0.00 C ATOM 144 O CYS A 11 5.507 -3.415 -8.884 1.00 0.00 O ATOM 145 CB CYS A 11 3.134 -1.286 -7.503 1.00 0.00 C ATOM 146 SG CYS A 11 2.485 -1.195 -9.179 1.00 0.00 S ATOM 0 H CYS A 11 5.624 -0.994 -8.994 1.00 0.00 H new ATOM 0 HA CYS A 11 4.832 -1.857 -6.311 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.490 -1.946 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.065 -0.295 -7.054 1.00 0.00 H new ATOM 151 N SER A 12 4.130 -4.186 -7.273 1.00 0.00 N ATOM 152 CA SER A 12 4.266 -5.631 -7.526 1.00 0.00 C ATOM 153 C SER A 12 3.000 -6.365 -7.064 1.00 0.00 C ATOM 154 O SER A 12 2.069 -5.732 -6.559 1.00 0.00 O ATOM 155 CB SER A 12 5.489 -6.168 -6.768 1.00 0.00 C ATOM 156 OG SER A 12 5.264 -6.136 -5.367 1.00 0.00 O ATOM 0 H SER A 12 3.469 -3.988 -6.522 1.00 0.00 H new ATOM 0 HA SER A 12 4.400 -5.800 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.700 -7.190 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.367 -5.571 -7.014 1.00 0.00 H new ATOM 0 HG SER A 12 6.053 -6.483 -4.901 1.00 0.00 H new ATOM 162 N LEU A 13 2.929 -7.699 -7.149 1.00 0.00 N ATOM 163 CA LEU A 13 1.776 -8.464 -6.682 1.00 0.00 C ATOM 164 C LEU A 13 1.494 -8.299 -5.178 1.00 0.00 C ATOM 165 O LEU A 13 0.352 -8.433 -4.744 1.00 0.00 O ATOM 166 CB LEU A 13 1.949 -9.921 -7.136 1.00 0.00 C ATOM 167 CG LEU A 13 2.872 -10.799 -6.304 1.00 0.00 C ATOM 168 CD1 LEU A 13 2.790 -12.251 -6.783 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.341 -10.375 -6.309 1.00 0.00 C ATOM 0 H LEU A 13 3.672 -8.275 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 13 0.870 -8.064 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.965 -10.388 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.320 -9.915 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 13 2.515 -10.688 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.454 -12.871 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.766 -12.611 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.091 -12.307 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.920 -11.060 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.723 -10.398 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.429 -9.364 -5.912 1.00 0.00 H new ATOM 181 N TYR A 14 2.507 -7.891 -4.411 1.00 0.00 N ATOM 182 CA TYR A 14 2.387 -7.514 -3.001 1.00 0.00 C ATOM 183 C TYR A 14 1.506 -6.265 -2.785 1.00 0.00 C ATOM 184 O TYR A 14 0.999 -6.042 -1.685 1.00 0.00 O ATOM 185 CB TYR A 14 3.800 -7.322 -2.428 1.00 0.00 C ATOM 186 CG TYR A 14 4.018 -8.055 -1.124 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.400 -9.409 -1.152 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.817 -7.408 0.109 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.597 -10.112 0.053 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.012 -8.108 1.318 1.00 0.00 C ATOM 191 CZ TYR A 14 4.410 -9.462 1.293 1.00 0.00 C ATOM 192 OH TYR A 14 4.606 -10.148 2.453 1.00 0.00 O ATOM 0 H TYR A 14 3.461 -7.811 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 14 1.877 -8.316 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.531 -7.668 -3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.981 -6.258 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.542 -9.910 -2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.512 -6.372 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.892 -11.151 0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.857 -7.608 2.263 1.00 0.00 H new ATOM 0 HH TYR A 14 4.437 -9.556 3.216 1.00 0.00 H new ATOM 202 N GLN A 15 1.296 -5.463 -3.839 1.00 0.00 N ATOM 203 CA GLN A 15 0.363 -4.334 -3.878 1.00 0.00 C ATOM 204 C GLN A 15 -0.890 -4.698 -4.688 1.00 0.00 C ATOM 205 O GLN A 15 -2.001 -4.608 -4.173 1.00 0.00 O ATOM 206 CB GLN A 15 1.047 -3.088 -4.442 1.00 0.00 C ATOM 207 CG GLN A 15 2.330 -2.749 -3.668 1.00 0.00 C ATOM 208 CD GLN A 15 2.682 -1.264 -3.717 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.214 -0.498 -4.551 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.512 -0.794 -2.816 1.00 0.00 N ATOM 0 H GLN A 15 1.792 -5.590 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 15 0.049 -4.108 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.287 -3.248 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.360 -2.243 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.212 -3.055 -2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.158 -3.327 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.910 -1.418 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.759 0.196 -2.817 1.00 0.00 H new ATOM 219 N LEU A 16 -0.717 -5.153 -5.935 1.00 0.00 N ATOM 220 CA LEU A 16 -1.793 -5.383 -6.909 1.00 0.00 C ATOM 221 C LEU A 16 -2.818 -6.440 -6.471 1.00 0.00 C ATOM 222 O LEU A 16 -3.968 -6.357 -6.893 1.00 0.00 O ATOM 223 CB LEU A 16 -1.169 -5.832 -8.238 1.00 0.00 C ATOM 224 CG LEU A 16 -0.562 -4.803 -9.193 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.645 -4.020 -9.899 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.351 -3.782 -8.560 1.00 0.00 C ATOM 0 H LEU A 16 0.206 -5.379 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.332 -4.440 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.386 -6.552 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.939 -6.370 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 16 0.034 -5.415 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.189 -3.294 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.273 -4.703 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.255 -3.498 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.725 -3.103 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.201 -3.215 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.190 -4.290 -8.085 1.00 0.00 H new ATOM 238 N GLU A 17 -2.467 -7.414 -5.621 1.00 0.00 N ATOM 239 CA GLU A 17 -3.426 -8.456 -5.198 1.00 0.00 C ATOM 240 C GLU A 17 -4.484 -7.910 -4.221 1.00 0.00 C ATOM 241 O GLU A 17 -5.457 -8.582 -3.882 1.00 0.00 O ATOM 242 CB GLU A 17 -2.702 -9.713 -4.687 1.00 0.00 C ATOM 243 CG GLU A 17 -3.496 -10.990 -5.025 1.00 0.00 C ATOM 244 CD GLU A 17 -2.960 -12.284 -4.374 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.882 -12.289 -3.735 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.645 -13.329 -4.515 1.00 0.00 O ATOM 0 H GLU A 17 -1.537 -7.507 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.986 -8.770 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.709 -9.770 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.563 -9.643 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.532 -10.848 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.501 -11.121 -6.107 1.00 0.00 H new ATOM 253 N ASN A 18 -4.337 -6.639 -3.825 1.00 0.00 N ATOM 254 CA ASN A 18 -5.364 -5.880 -3.107 1.00 0.00 C ATOM 255 C ASN A 18 -6.495 -5.404 -4.031 1.00 0.00 C ATOM 256 O ASN A 18 -7.561 -5.038 -3.528 1.00 0.00 O ATOM 257 CB ASN A 18 -4.738 -4.668 -2.398 1.00 0.00 C ATOM 258 CG ASN A 18 -3.870 -5.057 -1.214 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.341 -5.279 -0.108 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.576 -5.170 -1.415 1.00 0.00 N ATOM 0 H ASN A 18 -3.487 -6.103 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.798 -6.557 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.137 -4.106 -3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.532 -4.003 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.963 -5.443 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.185 -4.984 -2.339 1.00 0.00 H new ATOM 267 N TYR A 19 -6.301 -5.393 -5.362 1.00 0.00 N ATOM 268 CA TYR A 19 -7.375 -4.972 -6.265 1.00 0.00 C ATOM 269 C TYR A 19 -8.392 -6.078 -6.526 1.00 0.00 C ATOM 270 O TYR A 19 -9.558 -5.786 -6.802 1.00 0.00 O ATOM 271 CB TYR A 19 -6.793 -4.623 -7.616 1.00 0.00 C ATOM 272 CG TYR A 19 -6.247 -3.246 -7.824 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.124 -2.153 -7.908 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.935 -3.151 -8.285 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.708 -0.994 -8.591 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.570 -2.070 -9.092 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.474 -0.999 -9.281 1.00 0.00 C ATOM 278 OH TYR A 19 -5.153 0.046 -10.087 1.00 0.00 O ATOM 0 H TYR A 19 -5.432 -5.664 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.863 -4.127 -5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.992 -5.332 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.569 -4.788 -8.364 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.103 -2.200 -7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.208 -3.905 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.326 -0.109 -8.588 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.601 -2.053 -9.569 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.572 0.863 -9.745 1.00 0.00 H new ATOM 288 N CYS A 20 -7.933 -7.334 -6.516 1.00 0.00 N ATOM 289 CA CYS A 20 -8.754 -8.461 -6.909 1.00 0.00 C ATOM 290 C CYS A 20 -10.055 -8.555 -6.104 1.00 0.00 C ATOM 291 O CYS A 20 -10.095 -8.237 -4.911 1.00 0.00 O ATOM 292 CB CYS A 20 -8.007 -9.782 -6.763 1.00 0.00 C ATOM 293 SG CYS A 20 -6.279 -9.843 -7.280 1.00 0.00 S ATOM 0 H CYS A 20 -6.986 -7.587 -6.235 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.998 -8.285 -7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.052 -10.076 -5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.551 -10.537 -7.330 1.00 0.00 H new ATOM 298 N ASN A 21 -11.119 -9.028 -6.748 1.00 0.00 N ATOM 299 CA ASN A 21 -12.440 -9.066 -6.142 1.00 0.00 C ATOM 300 C ASN A 21 -12.577 -10.250 -5.163 1.00 0.00 C ATOM 301 O ASN A 21 -12.122 -11.365 -5.445 1.00 0.00 O ATOM 302 CB ASN A 21 -13.519 -9.094 -7.244 1.00 0.00 C ATOM 303 CG ASN A 21 -13.642 -7.816 -8.060 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.110 -6.764 -7.735 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.363 -7.858 -9.157 1.00 0.00 N ATOM 0 H ASN A 21 -11.087 -9.393 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.583 -8.162 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.303 -9.920 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.483 -9.305 -6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.474 -7.019 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.812 -8.729 -9.439 1.00 0.00 H new ATOM 312 N SER A 22 -13.240 -10.005 -4.028 1.00 0.00 N ATOM 313 CA SER A 22 -13.522 -10.974 -2.949 1.00 0.00 C ATOM 314 C SER A 22 -14.948 -10.873 -2.381 1.00 0.00 C ATOM 315 O SER A 22 -15.632 -9.846 -2.603 1.00 0.00 O ATOM 316 CB SER A 22 -12.474 -10.855 -1.836 1.00 0.00 C ATOM 317 OG SER A 22 -12.457 -9.538 -1.298 1.00 0.00 O ATOM 318 OXT SER A 22 -15.403 -11.859 -1.754 1.00 0.00 O ATOM 0 H SER A 22 -13.616 -9.080 -3.821 1.00 0.00 H new ATOM 0 HA SER A 22 -13.457 -11.964 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.693 -11.573 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.489 -11.105 -2.230 1.00 0.00 H new ATOM 0 HG SER A 22 -11.783 -9.483 -0.588 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.927 -11.734 -8.977 1.00 0.00 N ATOM 326 CA PHE B 1 8.881 -10.824 -9.512 1.00 0.00 C ATOM 327 C PHE B 1 9.432 -9.404 -9.653 1.00 0.00 C ATOM 328 O PHE B 1 10.280 -8.981 -8.867 1.00 0.00 O ATOM 329 CB PHE B 1 7.607 -10.855 -8.640 1.00 0.00 C ATOM 330 CG PHE B 1 6.337 -10.392 -9.332 1.00 0.00 C ATOM 331 CD1 PHE B 1 5.416 -11.343 -9.817 1.00 0.00 C ATOM 332 CD2 PHE B 1 6.018 -9.020 -9.405 1.00 0.00 C ATOM 333 CE1 PHE B 1 4.174 -10.932 -10.331 1.00 0.00 C ATOM 334 CE2 PHE B 1 4.783 -8.610 -9.938 1.00 0.00 C ATOM 335 CZ PHE B 1 3.854 -9.566 -10.371 1.00 0.00 C ATOM 0 H1 PHE B 1 10.228 -12.394 -9.723 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.744 -11.175 -8.659 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.542 -12.272 -8.174 1.00 0.00 H new ATOM 0 HA PHE B 1 8.596 -11.176 -10.503 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.456 -11.873 -8.282 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.772 -10.230 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.666 -12.393 -9.793 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.724 -8.283 -9.051 1.00 0.00 H new ATOM 0 HE1 PHE B 1 3.468 -11.665 -10.694 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.550 -7.558 -10.014 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.888 -9.250 -10.737 1.00 0.00 H new ATOM 347 N VAL B 2 8.982 -8.665 -10.673 1.00 0.00 N ATOM 348 CA VAL B 2 9.526 -7.345 -11.050 1.00 0.00 C ATOM 349 C VAL B 2 8.726 -6.204 -10.413 1.00 0.00 C ATOM 350 O VAL B 2 7.526 -6.065 -10.666 1.00 0.00 O ATOM 351 CB VAL B 2 9.570 -7.186 -12.589 1.00 0.00 C ATOM 352 CG1 VAL B 2 10.279 -5.888 -12.993 1.00 0.00 C ATOM 353 CG2 VAL B 2 10.326 -8.341 -13.267 1.00 0.00 C ATOM 0 H VAL B 2 8.216 -8.968 -11.274 1.00 0.00 H new ATOM 0 HA VAL B 2 10.545 -7.290 -10.668 1.00 0.00 H new ATOM 0 HB VAL B 2 8.530 -7.178 -12.915 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.294 -5.805 -14.080 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.746 -5.036 -12.571 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.302 -5.899 -12.616 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.332 -8.188 -14.346 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.352 -8.370 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.831 -9.284 -13.037 1.00 0.00 H new ATOM 363 N LYS B 3 9.395 -5.354 -9.618 1.00 0.00 N ATOM 364 CA LYS B 3 8.844 -4.077 -9.125 1.00 0.00 C ATOM 365 C LYS B 3 8.901 -3.048 -10.261 1.00 0.00 C ATOM 366 O LYS B 3 9.984 -2.801 -10.794 1.00 0.00 O ATOM 367 CB LYS B 3 9.617 -3.585 -7.887 1.00 0.00 C ATOM 368 CG LYS B 3 9.577 -4.591 -6.731 1.00 0.00 C ATOM 369 CD LYS B 3 10.395 -4.091 -5.537 1.00 0.00 C ATOM 370 CE LYS B 3 10.468 -5.212 -4.495 1.00 0.00 C ATOM 371 NZ LYS B 3 11.276 -4.815 -3.310 1.00 0.00 N ATOM 0 H LYS B 3 10.345 -5.534 -9.294 1.00 0.00 H new ATOM 0 HA LYS B 3 7.808 -4.219 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.654 -3.394 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.196 -2.636 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.544 -4.757 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.968 -5.552 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS B 3 11.397 -3.805 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS B 3 9.933 -3.203 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS B 3 9.460 -5.477 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS B 3 10.903 -6.102 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 11.301 -5.600 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.245 -4.587 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 10.847 -3.981 -2.861 1.00 0.00 H new ATOM 385 N GLN B 4 7.763 -2.464 -10.644 1.00 0.00 N ATOM 386 CA GLN B 4 7.669 -1.661 -11.873 1.00 0.00 C ATOM 387 C GLN B 4 6.678 -0.491 -11.784 1.00 0.00 C ATOM 388 O GLN B 4 5.725 -0.525 -11.001 1.00 0.00 O ATOM 389 CB GLN B 4 7.304 -2.621 -13.022 1.00 0.00 C ATOM 390 CG GLN B 4 7.650 -2.089 -14.423 1.00 0.00 C ATOM 391 CD GLN B 4 7.868 -3.228 -15.422 1.00 0.00 C ATOM 392 OE1 GLN B 4 8.919 -3.352 -16.035 1.00 0.00 O ATOM 393 NE2 GLN B 4 6.916 -4.119 -15.614 1.00 0.00 N ATOM 0 H GLN B 4 6.890 -2.531 -10.121 1.00 0.00 H new ATOM 0 HA GLN B 4 8.632 -1.182 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.821 -3.568 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.235 -2.831 -12.979 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.846 -1.444 -14.776 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.550 -1.476 -14.368 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.031 -4.036 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.064 -4.892 -16.263 1.00 0.00 H new ATOM 402 N HIS B 5 6.920 0.535 -12.602 1.00 0.00 N ATOM 403 CA HIS B 5 6.061 1.713 -12.775 1.00 0.00 C ATOM 404 C HIS B 5 4.979 1.482 -13.838 1.00 0.00 C ATOM 405 O HIS B 5 5.288 1.102 -14.965 1.00 0.00 O ATOM 406 CB HIS B 5 6.912 2.944 -13.126 1.00 0.00 C ATOM 407 CG HIS B 5 8.053 2.699 -14.092 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.394 2.711 -13.766 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.975 2.401 -15.429 1.00 0.00 C ATOM 410 CE1 HIS B 5 10.100 2.433 -14.874 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.277 2.232 -15.918 1.00 0.00 N ATOM 0 H HIS B 5 7.754 0.571 -13.188 1.00 0.00 H new ATOM 0 HA HIS B 5 5.550 1.892 -11.829 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.258 3.706 -13.550 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.323 3.354 -12.203 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.066 2.312 -16.005 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.178 2.379 -14.920 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.547 2.002 -16.875 1.00 0.00 H new ATOM 419 N LEU B 6 3.706 1.690 -13.488 1.00 0.00 N ATOM 420 CA LEU B 6 2.563 1.336 -14.335 1.00 0.00 C ATOM 421 C LEU B 6 1.349 2.239 -14.122 1.00 0.00 C ATOM 422 O LEU B 6 0.876 2.422 -13.004 1.00 0.00 O ATOM 423 CB LEU B 6 2.104 -0.098 -14.055 1.00 0.00 C ATOM 424 CG LEU B 6 3.189 -1.162 -14.038 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.648 -2.407 -13.336 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.731 -1.623 -15.386 1.00 0.00 C ATOM 0 H LEU B 6 3.437 2.113 -12.600 1.00 0.00 H new ATOM 0 HA LEU B 6 2.921 1.454 -15.358 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.596 -0.112 -13.091 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.366 -0.374 -14.808 1.00 0.00 H new ATOM 0 HG LEU B 6 4.021 -0.675 -13.529 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.418 -3.178 -13.318 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.363 -2.154 -12.315 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.776 -2.778 -13.874 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.497 -2.382 -15.230 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.920 -2.044 -15.980 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.164 -0.773 -15.914 1.00 0.00 H new ATOM 438 N CYS B 7 0.786 2.718 -15.222 1.00 0.00 N ATOM 439 CA CYS B 7 -0.358 3.621 -15.268 1.00 0.00 C ATOM 440 C CYS B 7 -1.467 2.987 -16.125 1.00 0.00 C ATOM 441 O CYS B 7 -1.187 2.509 -17.225 1.00 0.00 O ATOM 442 CB CYS B 7 0.114 4.948 -15.877 1.00 0.00 C ATOM 443 SG CYS B 7 1.564 5.717 -15.102 1.00 0.00 S ATOM 0 H CYS B 7 1.130 2.477 -16.151 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.759 3.801 -14.271 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.337 4.781 -16.931 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.713 5.657 -15.835 1.00 0.00 H new ATOM 448 N GLY B 8 -2.712 2.963 -15.635 1.00 0.00 N ATOM 449 CA GLY B 8 -3.880 2.508 -16.410 1.00 0.00 C ATOM 450 C GLY B 8 -3.722 1.091 -16.976 1.00 0.00 C ATOM 451 O GLY B 8 -3.643 0.122 -16.222 1.00 0.00 O ATOM 0 H GLY B 8 -2.942 3.259 -14.686 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.764 2.540 -15.773 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.054 3.202 -17.232 1.00 0.00 H new ATOM 455 N SER B 9 -3.631 0.967 -18.299 1.00 0.00 N ATOM 456 CA SER B 9 -3.464 -0.306 -19.019 1.00 0.00 C ATOM 457 C SER B 9 -2.232 -1.115 -18.595 1.00 0.00 C ATOM 458 O SER B 9 -2.321 -2.336 -18.480 1.00 0.00 O ATOM 459 CB SER B 9 -3.335 -0.022 -20.519 1.00 0.00 C ATOM 460 OG SER B 9 -4.447 0.730 -20.988 1.00 0.00 O ATOM 0 H SER B 9 -3.672 1.772 -18.924 1.00 0.00 H new ATOM 0 HA SER B 9 -4.345 -0.901 -18.776 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.413 0.526 -20.712 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.268 -0.962 -21.067 1.00 0.00 H new ATOM 0 HG SER B 9 -4.344 0.902 -21.947 1.00 0.00 H new ATOM 466 N HIS B 10 -1.095 -0.469 -18.311 1.00 0.00 N ATOM 467 CA HIS B 10 0.095 -1.149 -17.774 1.00 0.00 C ATOM 468 C HIS B 10 -0.157 -1.676 -16.365 1.00 0.00 C ATOM 469 O HIS B 10 0.326 -2.738 -15.988 1.00 0.00 O ATOM 470 CB HIS B 10 1.267 -0.164 -17.691 1.00 0.00 C ATOM 471 CG HIS B 10 1.710 0.369 -19.021 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.480 -0.264 -19.973 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.375 1.593 -19.513 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.612 0.573 -21.018 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.953 1.723 -20.786 1.00 0.00 N ATOM 0 H HIS B 10 -0.972 0.535 -18.445 1.00 0.00 H new ATOM 0 HA HIS B 10 0.324 -1.978 -18.444 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.981 0.672 -17.053 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.111 -0.659 -17.210 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.770 2.334 -19.012 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.169 0.353 -21.917 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.887 2.527 -21.410 1.00 0.00 H new ATOM 483 N LEU B 11 -0.909 -0.911 -15.574 1.00 0.00 N ATOM 484 CA LEU B 11 -1.192 -1.204 -14.181 1.00 0.00 C ATOM 485 C LEU B 11 -2.104 -2.433 -14.128 1.00 0.00 C ATOM 486 O LEU B 11 -1.810 -3.396 -13.425 1.00 0.00 O ATOM 487 CB LEU B 11 -1.814 0.065 -13.573 1.00 0.00 C ATOM 488 CG LEU B 11 -1.551 0.276 -12.081 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.449 1.400 -11.598 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.845 -0.965 -11.261 1.00 0.00 C ATOM 0 H LEU B 11 -1.347 -0.049 -15.899 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.305 -1.451 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.436 0.931 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.892 0.033 -13.734 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.495 0.514 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.280 1.570 -10.535 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.221 2.311 -12.152 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.492 1.128 -11.760 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.642 -0.763 -10.209 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.892 -1.241 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.212 -1.784 -11.601 1.00 0.00 H new ATOM 502 N VAL B 12 -3.125 -2.453 -14.988 1.00 0.00 N ATOM 503 CA VAL B 12 -3.958 -3.634 -15.260 1.00 0.00 C ATOM 504 C VAL B 12 -3.099 -4.777 -15.802 1.00 0.00 C ATOM 505 O VAL B 12 -3.375 -5.915 -15.472 1.00 0.00 O ATOM 506 CB VAL B 12 -5.118 -3.317 -16.231 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.888 -4.557 -16.691 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.123 -2.381 -15.544 1.00 0.00 C ATOM 0 H VAL B 12 -3.404 -1.633 -15.527 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.405 -3.943 -14.315 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.658 -2.859 -17.106 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.687 -4.258 -17.370 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.209 -5.236 -17.206 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.317 -5.061 -15.825 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.940 -2.158 -16.230 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.520 -2.865 -14.652 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.623 -1.454 -15.262 1.00 0.00 H new ATOM 518 N GLU B 13 -2.017 -4.544 -16.548 1.00 0.00 N ATOM 519 CA GLU B 13 -1.156 -5.633 -17.038 1.00 0.00 C ATOM 520 C GLU B 13 -0.446 -6.366 -15.879 1.00 0.00 C ATOM 521 O GLU B 13 -0.132 -7.550 -16.005 1.00 0.00 O ATOM 522 CB GLU B 13 -0.166 -5.117 -18.094 1.00 0.00 C ATOM 523 CG GLU B 13 0.412 -6.240 -18.965 1.00 0.00 C ATOM 524 CD GLU B 13 1.248 -5.663 -20.123 1.00 0.00 C ATOM 525 OE1 GLU B 13 0.717 -5.532 -21.253 1.00 0.00 O ATOM 526 OE2 GLU B 13 2.445 -5.335 -19.914 1.00 0.00 O ATOM 0 H GLU B 13 -1.713 -3.612 -16.828 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.794 -6.371 -17.525 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.669 -4.390 -18.732 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.650 -4.593 -17.596 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.033 -6.896 -18.355 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.399 -6.849 -19.365 1.00 0.00 H new ATOM 533 N ALA B 14 -0.258 -5.702 -14.728 1.00 0.00 N ATOM 534 CA ALA B 14 0.152 -6.371 -13.499 1.00 0.00 C ATOM 535 C ALA B 14 -1.077 -6.935 -12.778 1.00 0.00 C ATOM 536 O ALA B 14 -1.132 -8.127 -12.511 1.00 0.00 O ATOM 537 CB ALA B 14 0.953 -5.393 -12.646 1.00 0.00 C ATOM 0 H ALA B 14 -0.386 -4.695 -14.630 1.00 0.00 H new ATOM 0 HA ALA B 14 0.799 -7.221 -13.716 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.264 -5.884 -11.724 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.834 -5.066 -13.198 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.334 -4.529 -12.405 1.00 0.00 H new ATOM 543 N LEU B 15 -2.107 -6.135 -12.533 1.00 0.00 N ATOM 544 CA LEU B 15 -3.353 -6.512 -11.875 1.00 0.00 C ATOM 545 C LEU B 15 -3.952 -7.823 -12.418 1.00 0.00 C ATOM 546 O LEU B 15 -4.240 -8.753 -11.676 1.00 0.00 O ATOM 547 CB LEU B 15 -4.314 -5.337 -12.126 1.00 0.00 C ATOM 548 CG LEU B 15 -5.287 -5.057 -11.004 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.236 -3.932 -11.428 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.031 -6.308 -10.621 1.00 0.00 C ATOM 0 H LEU B 15 -2.095 -5.151 -12.803 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.178 -6.699 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.725 -4.438 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.880 -5.538 -13.036 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.742 -4.730 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.940 -3.727 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.660 -3.032 -11.645 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.784 -4.235 -12.320 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.726 -6.085 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.585 -6.680 -11.483 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.321 -7.067 -10.291 1.00 0.00 H new ATOM 562 N TYR B 16 -4.058 -7.924 -13.734 1.00 0.00 N ATOM 563 CA TYR B 16 -4.612 -9.040 -14.506 1.00 0.00 C ATOM 564 C TYR B 16 -3.786 -10.321 -14.325 1.00 0.00 C ATOM 565 O TYR B 16 -4.333 -11.424 -14.327 1.00 0.00 O ATOM 566 CB TYR B 16 -4.653 -8.558 -15.975 1.00 0.00 C ATOM 567 CG TYR B 16 -5.477 -9.331 -16.987 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.213 -10.685 -17.277 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.471 -8.641 -17.715 1.00 0.00 C ATOM 570 CE1 TYR B 16 -5.983 -11.368 -18.233 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.239 -9.324 -18.682 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.004 -10.693 -18.933 1.00 0.00 C ATOM 573 OH TYR B 16 -7.738 -11.359 -19.865 1.00 0.00 O ATOM 0 H TYR B 16 -3.735 -7.172 -14.343 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.611 -9.308 -14.163 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.017 -7.531 -15.973 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.626 -8.532 -16.340 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.415 -11.200 -16.762 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.643 -7.591 -17.532 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.793 -12.412 -18.432 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.007 -8.799 -19.230 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.401 -10.751 -20.255 1.00 0.00 H new ATOM 583 N LEU B 17 -2.480 -10.177 -14.093 1.00 0.00 N ATOM 584 CA LEU B 17 -1.540 -11.270 -13.851 1.00 0.00 C ATOM 585 C LEU B 17 -1.592 -11.718 -12.386 1.00 0.00 C ATOM 586 O LEU B 17 -1.624 -12.906 -12.071 1.00 0.00 O ATOM 587 CB LEU B 17 -0.140 -10.730 -14.187 1.00 0.00 C ATOM 588 CG LEU B 17 1.000 -11.735 -13.978 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.863 -12.988 -14.847 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.340 -11.068 -14.292 1.00 0.00 C ATOM 0 H LEU B 17 -2.032 -9.261 -14.068 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.791 -12.135 -14.464 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.131 -10.402 -15.226 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.052 -9.850 -13.573 1.00 0.00 H new ATOM 0 HG LEU B 17 0.950 -12.048 -12.935 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.700 -13.659 -14.653 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.072 -13.495 -14.609 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.863 -12.703 -15.899 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.147 -11.785 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.344 -10.728 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.486 -10.214 -13.630 1.00 0.00 H new ATOM 602 N VAL B 18 -1.624 -10.720 -11.504 1.00 0.00 N ATOM 603 CA VAL B 18 -1.639 -10.834 -10.047 1.00 0.00 C ATOM 604 C VAL B 18 -2.937 -11.467 -9.565 1.00 0.00 C ATOM 605 O VAL B 18 -2.940 -12.341 -8.697 1.00 0.00 O ATOM 606 CB VAL B 18 -1.397 -9.423 -9.460 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.635 -9.454 -7.962 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.068 -9.079 -9.765 1.00 0.00 C ATOM 0 H VAL B 18 -1.641 -9.747 -11.809 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.847 -11.497 -9.699 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.069 -8.680 -9.889 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.465 -8.461 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.662 -9.760 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.949 -10.163 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.299 -8.089 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.720 -9.816 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.227 -9.088 -10.843 1.00 0.00 H new ATOM 618 N CYS B 19 -4.038 -11.098 -10.206 1.00 0.00 N ATOM 619 CA CYS B 19 -5.345 -11.700 -9.972 1.00 0.00 C ATOM 620 C CYS B 19 -5.539 -12.972 -10.798 1.00 0.00 C ATOM 621 O CYS B 19 -6.320 -13.832 -10.403 1.00 0.00 O ATOM 622 CB CYS B 19 -6.431 -10.661 -10.248 1.00 0.00 C ATOM 623 SG CYS B 19 -6.342 -9.197 -9.190 1.00 0.00 S ATOM 0 H CYS B 19 -4.049 -10.362 -10.913 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.415 -12.009 -8.929 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.362 -10.347 -11.290 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.407 -11.129 -10.120 1.00 0.00 H new ATOM 628 N GLY B 20 -4.816 -13.123 -11.911 1.00 0.00 N ATOM 629 CA GLY B 20 -4.835 -14.325 -12.751 1.00 0.00 C ATOM 630 C GLY B 20 -6.252 -14.741 -13.163 1.00 0.00 C ATOM 631 O GLY B 20 -6.658 -15.880 -12.941 1.00 0.00 O ATOM 0 H GLY B 20 -4.188 -12.399 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.239 -14.146 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.363 -15.146 -12.212 1.00 0.00 H new ATOM 635 N GLU B 21 -7.023 -13.784 -13.688 1.00 0.00 N ATOM 636 CA GLU B 21 -8.435 -13.898 -14.069 1.00 0.00 C ATOM 637 C GLU B 21 -9.430 -14.288 -12.941 1.00 0.00 C ATOM 638 O GLU B 21 -10.586 -14.613 -13.229 1.00 0.00 O ATOM 639 CB GLU B 21 -8.559 -14.730 -15.359 1.00 0.00 C ATOM 640 CG GLU B 21 -7.971 -14.016 -16.588 1.00 0.00 C ATOM 641 CD GLU B 21 -8.174 -14.868 -17.856 1.00 0.00 C ATOM 642 OE1 GLU B 21 -9.283 -14.846 -18.443 1.00 0.00 O ATOM 643 OE2 GLU B 21 -7.225 -15.571 -18.279 1.00 0.00 O ATOM 0 H GLU B 21 -6.655 -12.850 -13.870 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.778 -12.885 -14.279 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.050 -15.684 -15.221 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.610 -14.953 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -8.449 -13.045 -16.715 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.908 -13.830 -16.434 1.00 0.00 H new ATOM 650 N ARG B 22 -9.049 -14.180 -11.653 1.00 0.00 N ATOM 651 CA ARG B 22 -9.988 -14.277 -10.504 1.00 0.00 C ATOM 652 C ARG B 22 -10.969 -13.093 -10.429 1.00 0.00 C ATOM 653 O ARG B 22 -11.997 -13.182 -9.756 1.00 0.00 O ATOM 654 CB ARG B 22 -9.217 -14.403 -9.175 1.00 0.00 C ATOM 655 CG ARG B 22 -8.512 -15.766 -9.011 1.00 0.00 C ATOM 656 CD ARG B 22 -7.683 -15.834 -7.719 1.00 0.00 C ATOM 657 NE ARG B 22 -6.461 -15.010 -7.808 1.00 0.00 N ATOM 658 CZ ARG B 22 -5.673 -14.638 -6.818 1.00 0.00 C ATOM 659 NH1 ARG B 22 -5.905 -14.916 -5.569 1.00 0.00 N ATOM 660 NH2 ARG B 22 -4.591 -13.954 -7.017 1.00 0.00 N ATOM 0 H ARG B 22 -8.081 -14.023 -11.373 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.579 -15.178 -10.669 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.475 -13.607 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.909 -14.256 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.257 -16.561 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.863 -15.944 -9.868 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.290 -15.495 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.409 -16.870 -7.517 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.196 -14.693 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.735 -15.450 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.257 -14.600 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.324 -13.686 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.006 -13.684 -6.226 1.00 0.00 H new ATOM 674 N GLY B 23 -10.661 -11.999 -11.129 1.00 0.00 N ATOM 675 CA GLY B 23 -11.455 -10.774 -11.230 1.00 0.00 C ATOM 676 C GLY B 23 -10.983 -9.664 -10.289 1.00 0.00 C ATOM 677 O GLY B 23 -10.311 -9.918 -9.293 1.00 0.00 O ATOM 0 H GLY B 23 -9.800 -11.942 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.418 -10.410 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.497 -11.006 -11.011 1.00 0.00 H new ATOM 681 N PHE B 24 -11.288 -8.425 -10.666 1.00 0.00 N ATOM 682 CA PHE B 24 -10.798 -7.157 -10.110 1.00 0.00 C ATOM 683 C PHE B 24 -11.533 -5.939 -10.706 1.00 0.00 C ATOM 684 O PHE B 24 -12.316 -6.068 -11.653 1.00 0.00 O ATOM 685 CB PHE B 24 -9.317 -7.015 -10.487 1.00 0.00 C ATOM 686 CG PHE B 24 -8.986 -7.065 -11.972 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.772 -8.309 -12.597 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.788 -5.876 -12.705 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.405 -8.369 -13.951 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.359 -5.933 -14.045 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.190 -7.182 -14.672 1.00 0.00 C ATOM 0 H PHE B 24 -11.940 -8.264 -11.434 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.963 -7.177 -9.033 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.953 -6.068 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.760 -7.807 -9.987 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.891 -9.222 -12.032 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.966 -4.919 -12.237 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.288 -9.326 -14.438 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.160 -5.022 -14.590 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.894 -7.228 -15.710 1.00 0.00 H new ATOM 701 N PHE B 25 -11.238 -4.744 -10.184 1.00 0.00 N ATOM 702 CA PHE B 25 -11.571 -3.454 -10.787 1.00 0.00 C ATOM 703 C PHE B 25 -10.468 -2.437 -10.448 1.00 0.00 C ATOM 704 O PHE B 25 -9.967 -2.404 -9.324 1.00 0.00 O ATOM 705 CB PHE B 25 -12.955 -2.966 -10.347 1.00 0.00 C ATOM 706 CG PHE B 25 -13.319 -1.649 -11.005 1.00 0.00 C ATOM 707 CD1 PHE B 25 -13.528 -1.595 -12.397 1.00 0.00 C ATOM 708 CD2 PHE B 25 -13.370 -0.468 -10.244 1.00 0.00 C ATOM 709 CE1 PHE B 25 -13.779 -0.362 -13.025 1.00 0.00 C ATOM 710 CE2 PHE B 25 -13.625 0.765 -10.872 1.00 0.00 C ATOM 711 CZ PHE B 25 -13.827 0.818 -12.261 1.00 0.00 C ATOM 0 H PHE B 25 -10.743 -4.648 -9.298 1.00 0.00 H new ATOM 0 HA PHE B 25 -11.620 -3.569 -11.870 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.703 -3.718 -10.598 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.972 -2.849 -9.263 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.495 -2.502 -12.983 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -13.213 -0.507 -9.176 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.935 -0.321 -14.093 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.665 1.671 -10.286 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.019 1.765 -12.743 1.00 0.00 H new ATOM 721 N TYR B 26 -10.077 -1.613 -11.421 1.00 0.00 N ATOM 722 CA TYR B 26 -8.928 -0.698 -11.358 1.00 0.00 C ATOM 723 C TYR B 26 -9.279 0.656 -10.702 1.00 0.00 C ATOM 724 O TYR B 26 -9.121 1.724 -11.295 1.00 0.00 O ATOM 725 CB TYR B 26 -8.269 -0.608 -12.751 1.00 0.00 C ATOM 726 CG TYR B 26 -9.237 -0.591 -13.925 1.00 0.00 C ATOM 727 CD1 TYR B 26 -9.599 -1.801 -14.546 1.00 0.00 C ATOM 728 CD2 TYR B 26 -9.802 0.622 -14.368 1.00 0.00 C ATOM 729 CE1 TYR B 26 -10.531 -1.808 -15.600 1.00 0.00 C ATOM 730 CE2 TYR B 26 -10.726 0.625 -15.428 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.100 -0.593 -16.045 1.00 0.00 C ATOM 732 OH TYR B 26 -12.005 -0.602 -17.065 1.00 0.00 O ATOM 0 H TYR B 26 -10.570 -1.560 -12.312 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.174 -1.103 -10.683 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.660 0.295 -12.790 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.592 -1.454 -12.871 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -9.159 -2.729 -14.212 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.525 1.551 -13.892 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.811 -2.740 -16.068 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.150 1.557 -15.772 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.300 0.314 -17.248 1.00 0.00 H new ATOM 742 N THR B 27 -9.769 0.607 -9.459 1.00 0.00 N ATOM 743 CA THR B 27 -10.219 1.762 -8.653 1.00 0.00 C ATOM 744 C THR B 27 -9.129 2.850 -8.518 1.00 0.00 C ATOM 745 O THR B 27 -8.083 2.582 -7.918 1.00 0.00 O ATOM 746 CB THR B 27 -10.640 1.298 -7.246 1.00 0.00 C ATOM 747 OG1 THR B 27 -11.559 0.230 -7.339 1.00 0.00 O ATOM 748 CG2 THR B 27 -11.320 2.409 -6.441 1.00 0.00 C ATOM 0 H THR B 27 -9.870 -0.276 -8.959 1.00 0.00 H new ATOM 0 HA THR B 27 -11.068 2.199 -9.179 1.00 0.00 H new ATOM 0 HB THR B 27 -9.723 0.996 -6.740 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.818 -0.058 -6.439 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.596 2.029 -5.458 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.633 3.247 -6.326 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.215 2.743 -6.966 1.00 0.00 H new ATOM 756 N PRO B 28 -9.367 4.094 -8.989 1.00 0.00 N ATOM 757 CA PRO B 28 -8.388 5.185 -8.933 1.00 0.00 C ATOM 758 C PRO B 28 -8.579 6.157 -7.747 1.00 0.00 C ATOM 759 O PRO B 28 -7.753 7.047 -7.542 1.00 0.00 O ATOM 760 CB PRO B 28 -8.580 5.904 -10.270 1.00 0.00 C ATOM 761 CG PRO B 28 -10.095 5.834 -10.472 1.00 0.00 C ATOM 762 CD PRO B 28 -10.467 4.473 -9.878 1.00 0.00 C ATOM 0 HA PRO B 28 -7.382 4.795 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.223 6.933 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.040 5.409 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.607 6.649 -9.961 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.364 5.900 -11.526 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.407 4.533 -9.329 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.604 3.731 -10.664 1.00 0.00 H new ATOM 770 N LYS B 29 -9.672 6.022 -6.982 1.00 0.00 N ATOM 771 CA LYS B 29 -10.136 6.981 -5.961 1.00 0.00 C ATOM 772 C LYS B 29 -9.160 7.185 -4.794 1.00 0.00 C ATOM 773 O LYS B 29 -8.412 6.282 -4.411 1.00 0.00 O ATOM 774 CB LYS B 29 -11.519 6.565 -5.422 1.00 0.00 C ATOM 775 CG LYS B 29 -12.594 6.437 -6.516 1.00 0.00 C ATOM 776 CD LYS B 29 -13.980 6.144 -5.920 1.00 0.00 C ATOM 777 CE LYS B 29 -14.595 7.383 -5.244 1.00 0.00 C ATOM 778 NZ LYS B 29 -15.045 7.097 -3.859 1.00 0.00 N ATOM 0 H LYS B 29 -10.284 5.210 -7.059 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.201 7.942 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.425 5.611 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.848 7.298 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.635 7.359 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.318 5.639 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.646 5.794 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.897 5.338 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.861 8.188 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.441 7.735 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.483 7.949 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.740 6.323 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.228 6.818 -3.279 1.00 0.00 H new ATOM 792 N THR B 30 -9.222 8.368 -4.181 1.00 0.00 N ATOM 793 CA THR B 30 -8.465 8.733 -2.966 1.00 0.00 C ATOM 794 C THR B 30 -9.091 8.186 -1.673 1.00 0.00 C ATOM 795 O THR B 30 -8.371 7.959 -0.696 1.00 0.00 O ATOM 796 CB THR B 30 -8.347 10.263 -2.844 1.00 0.00 C ATOM 797 OG1 THR B 30 -9.627 10.851 -2.987 1.00 0.00 O ATOM 798 CG2 THR B 30 -7.441 10.848 -3.926 1.00 0.00 C ATOM 0 H THR B 30 -9.815 9.126 -4.520 1.00 0.00 H new ATOM 0 HA THR B 30 -7.482 8.277 -3.080 1.00 0.00 H new ATOM 0 HB THR B 30 -7.920 10.479 -1.865 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.550 11.825 -2.907 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.383 11.930 -3.806 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.443 10.419 -3.836 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.850 10.613 -4.909 1.00 0.00 H new ATOM 806 N ARG B 31 -10.410 7.949 -1.668 1.00 0.00 N ATOM 807 CA ARG B 31 -11.212 7.427 -0.544 1.00 0.00 C ATOM 808 C ARG B 31 -12.343 6.521 -1.037 1.00 0.00 C ATOM 809 O ARG B 31 -12.927 6.812 -2.105 1.00 0.00 O ATOM 810 CB ARG B 31 -11.728 8.618 0.296 1.00 0.00 C ATOM 811 CG ARG B 31 -12.488 8.208 1.574 1.00 0.00 C ATOM 812 CD ARG B 31 -14.001 8.035 1.358 1.00 0.00 C ATOM 813 NE ARG B 31 -14.650 7.391 2.514 1.00 0.00 N ATOM 814 CZ ARG B 31 -14.733 6.096 2.764 1.00 0.00 C ATOM 815 NH1 ARG B 31 -15.369 5.681 3.822 1.00 0.00 N ATOM 816 NH2 ARG B 31 -14.206 5.187 1.995 1.00 0.00 N ATOM 817 OXT ARG B 31 -12.669 5.549 -0.318 1.00 0.00 O ATOM 0 H ARG B 31 -10.982 8.125 -2.494 1.00 0.00 H new ATOM 0 HA ARG B 31 -10.588 6.800 0.093 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -10.881 9.245 0.576 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.385 9.228 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.073 7.273 1.950 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -12.323 8.962 2.344 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -14.457 9.009 1.182 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -14.174 7.436 0.464 1.00 0.00 H new ATOM 0 HE ARG B 31 -15.083 8.014 3.196 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -15.801 6.355 4.454 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -15.435 4.682 4.018 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.700 5.462 1.153 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -14.299 4.200 2.234 1.00 0.00 H new TER 831 ARG B 31