USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.44) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0761 K(o=0.076,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 19 TYR OH : rot 21:sc= -0.203 USER MOD Single : A 21 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.7!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.4!) USER MOD Single : B 4 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.016) USER MOD Single : B 5 HIS : no HE2:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : B 9 SER OG : rot 180:sc= -1.22 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -1.77! C(o=-5.3!,f=-1.8!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 103:sc= 0.79 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0078 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.923 2.269 3.616 1.00 0.00 N ATOM 2 CA GLY A 1 -5.787 3.107 4.207 1.00 0.00 C ATOM 3 C GLY A 1 -4.740 3.666 3.299 1.00 0.00 C ATOM 4 O GLY A 1 -4.631 4.865 3.111 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.559 1.960 4.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.456 2.841 2.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.527 1.435 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.240 3.944 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.281 2.493 4.952 1.00 0.00 H new ATOM 10 N ILE A 2 -3.943 2.818 2.711 1.00 0.00 N ATOM 11 CA ILE A 2 -2.877 3.310 1.793 1.00 0.00 C ATOM 12 C ILE A 2 -3.503 4.202 0.724 1.00 0.00 C ATOM 13 O ILE A 2 -2.838 5.007 0.103 1.00 0.00 O ATOM 14 CB ILE A 2 -2.184 2.122 1.124 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.235 1.110 0.661 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.238 1.456 2.123 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.567 0.043 -0.208 1.00 0.00 C ATOM 0 H ILE A 2 -3.983 1.805 2.826 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.143 3.880 2.362 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.615 2.472 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.713 0.645 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.019 1.616 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.744 0.609 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.489 2.177 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.806 1.107 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.315 -0.678 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.110 0.516 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.799 -0.470 0.371 1.00 0.00 H new ATOM 29 N VAL A 3 -4.779 4.067 0.507 1.00 0.00 N ATOM 30 CA VAL A 3 -5.447 4.911 -0.520 1.00 0.00 C ATOM 31 C VAL A 3 -5.254 6.384 -0.160 1.00 0.00 C ATOM 32 O VAL A 3 -4.485 7.087 -0.784 1.00 0.00 O ATOM 33 CB VAL A 3 -6.940 4.581 -0.564 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.527 5.045 -1.898 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.125 3.069 -0.425 1.00 0.00 C ATOM 0 H VAL A 3 -5.388 3.410 0.995 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.010 4.714 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.451 5.090 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.591 4.810 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.390 6.122 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.019 4.535 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.188 2.828 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.614 2.563 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.705 2.737 0.524 1.00 0.00 H new ATOM 45 N GLU A 4 -5.935 6.858 0.846 1.00 0.00 N ATOM 46 CA GLU A 4 -5.777 8.285 1.240 1.00 0.00 C ATOM 47 C GLU A 4 -4.414 8.480 1.903 1.00 0.00 C ATOM 48 O GLU A 4 -3.895 9.574 1.973 1.00 0.00 O ATOM 49 CB GLU A 4 -6.885 8.670 2.223 1.00 0.00 C ATOM 50 CG GLU A 4 -7.653 9.876 1.681 1.00 0.00 C ATOM 51 CD GLU A 4 -8.434 10.539 2.817 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.324 9.897 3.352 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.127 11.676 3.135 1.00 0.00 O ATOM 0 H GLU A 4 -6.592 6.320 1.411 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.844 8.917 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.564 7.830 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.456 8.907 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.961 10.591 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.336 9.561 0.892 1.00 0.00 H new ATOM 60 N GLN A 5 -3.829 7.423 2.390 1.00 0.00 N ATOM 61 CA GLN A 5 -2.500 7.547 3.050 1.00 0.00 C ATOM 62 C GLN A 5 -1.412 7.706 1.992 1.00 0.00 C ATOM 63 O GLN A 5 -0.434 8.404 2.188 1.00 0.00 O ATOM 64 CB GLN A 5 -2.223 6.291 3.881 1.00 0.00 C ATOM 65 CG GLN A 5 -1.347 6.656 5.081 1.00 0.00 C ATOM 66 CD GLN A 5 -2.130 7.565 6.029 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.201 7.213 6.481 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.637 8.730 6.351 1.00 0.00 N ATOM 0 H GLN A 5 -4.213 6.479 2.360 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.502 8.422 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.161 5.853 4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.725 5.539 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.033 5.752 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.441 7.160 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.738 9.026 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.151 9.345 6.982 1.00 0.00 H new ATOM 77 N CYS A 6 -1.571 7.063 0.874 1.00 0.00 N ATOM 78 CA CYS A 6 -0.546 7.170 -0.204 1.00 0.00 C ATOM 79 C CYS A 6 -1.067 8.079 -1.316 1.00 0.00 C ATOM 80 O CYS A 6 -0.306 8.677 -2.051 1.00 0.00 O ATOM 81 CB CYS A 6 -0.258 5.781 -0.779 1.00 0.00 C ATOM 82 SG CYS A 6 -0.172 4.572 0.564 1.00 0.00 S ATOM 0 H CYS A 6 -2.368 6.465 0.656 1.00 0.00 H new ATOM 0 HA CYS A 6 0.370 7.589 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.039 5.500 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.682 5.793 -1.331 1.00 0.00 H new ATOM 87 N CYS A 7 -2.356 8.182 -1.444 1.00 0.00 N ATOM 88 CA CYS A 7 -2.933 9.049 -2.510 1.00 0.00 C ATOM 89 C CYS A 7 -3.030 10.491 -2.003 1.00 0.00 C ATOM 90 O CYS A 7 -2.709 11.425 -2.710 1.00 0.00 O ATOM 91 CB CYS A 7 -4.316 8.517 -2.888 1.00 0.00 C ATOM 92 SG CYS A 7 -4.901 9.342 -4.388 1.00 0.00 S ATOM 0 H CYS A 7 -3.039 7.703 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.292 9.036 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.270 7.440 -3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.017 8.688 -2.071 1.00 0.00 H new ATOM 97 N THR A 8 -3.450 10.685 -0.782 1.00 0.00 N ATOM 98 CA THR A 8 -3.537 12.074 -0.246 1.00 0.00 C ATOM 99 C THR A 8 -2.171 12.454 0.339 1.00 0.00 C ATOM 100 O THR A 8 -1.776 13.603 0.341 1.00 0.00 O ATOM 101 CB THR A 8 -4.648 12.149 0.825 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.374 13.357 0.656 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.061 12.110 2.244 1.00 0.00 C ATOM 0 H THR A 8 -3.735 9.948 -0.137 1.00 0.00 H new ATOM 0 HA THR A 8 -3.792 12.778 -1.039 1.00 0.00 H new ATOM 0 HB THR A 8 -5.303 11.286 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.082 13.410 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.869 12.165 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.508 11.181 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.389 12.957 2.383 1.00 0.00 H new ATOM 111 N SER A 9 -1.448 11.481 0.826 1.00 0.00 N ATOM 112 CA SER A 9 -0.102 11.753 1.405 1.00 0.00 C ATOM 113 C SER A 9 0.877 10.694 0.879 1.00 0.00 C ATOM 114 O SER A 9 0.887 10.389 -0.297 1.00 0.00 O ATOM 115 CB SER A 9 -0.182 11.684 2.931 1.00 0.00 C ATOM 116 OG SER A 9 0.862 12.468 3.493 1.00 0.00 O ATOM 0 H SER A 9 -1.735 10.503 0.847 1.00 0.00 H new ATOM 0 HA SER A 9 0.242 12.746 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.151 12.049 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.096 10.650 3.265 1.00 0.00 H new ATOM 0 HG SER A 9 0.812 12.427 4.471 1.00 0.00 H new ATOM 122 N ILE A 10 1.693 10.121 1.726 1.00 0.00 N ATOM 123 CA ILE A 10 2.641 9.081 1.236 1.00 0.00 C ATOM 124 C ILE A 10 2.692 7.916 2.217 1.00 0.00 C ATOM 125 O ILE A 10 2.297 8.029 3.361 1.00 0.00 O ATOM 126 CB ILE A 10 4.056 9.647 1.119 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.072 10.859 0.200 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.972 8.581 0.545 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.141 12.117 1.054 1.00 0.00 C ATOM 0 H ILE A 10 1.743 10.326 2.724 1.00 0.00 H new ATOM 0 HA ILE A 10 2.289 8.750 0.259 1.00 0.00 H new ATOM 0 HB ILE A 10 4.397 9.948 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.928 10.812 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.177 10.873 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.983 8.978 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.978 7.713 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.613 8.285 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.153 12.995 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.271 12.160 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.049 12.098 1.657 1.00 0.00 H new ATOM 141 N CYS A 11 3.210 6.804 1.780 1.00 0.00 N ATOM 142 CA CYS A 11 3.330 5.632 2.688 1.00 0.00 C ATOM 143 C CYS A 11 4.642 4.910 2.399 1.00 0.00 C ATOM 144 O CYS A 11 5.262 5.107 1.374 1.00 0.00 O ATOM 145 CB CYS A 11 2.172 4.663 2.472 1.00 0.00 C ATOM 146 SG CYS A 11 0.666 5.590 2.093 1.00 0.00 S ATOM 0 H CYS A 11 3.556 6.656 0.832 1.00 0.00 H new ATOM 0 HA CYS A 11 3.308 5.983 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.405 3.979 1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.022 4.055 3.364 1.00 0.00 H new ATOM 151 N SER A 12 5.063 4.070 3.296 1.00 0.00 N ATOM 152 CA SER A 12 6.331 3.322 3.085 1.00 0.00 C ATOM 153 C SER A 12 6.007 1.859 2.791 1.00 0.00 C ATOM 154 O SER A 12 5.093 1.292 3.353 1.00 0.00 O ATOM 155 CB SER A 12 7.191 3.410 4.346 1.00 0.00 C ATOM 156 OG SER A 12 6.790 2.396 5.259 1.00 0.00 O ATOM 0 H SER A 12 4.582 3.867 4.172 1.00 0.00 H new ATOM 0 HA SER A 12 6.876 3.753 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.244 3.290 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.084 4.393 4.806 1.00 0.00 H new ATOM 0 HG SER A 12 7.340 2.448 6.068 1.00 0.00 H new ATOM 162 N LEU A 13 6.746 1.244 1.913 1.00 0.00 N ATOM 163 CA LEU A 13 6.475 -0.182 1.588 1.00 0.00 C ATOM 164 C LEU A 13 6.263 -0.951 2.882 1.00 0.00 C ATOM 165 O LEU A 13 5.456 -1.856 2.959 1.00 0.00 O ATOM 166 CB LEU A 13 7.652 -0.778 0.815 1.00 0.00 C ATOM 167 CG LEU A 13 8.848 -0.968 1.750 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.812 -2.376 2.349 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.144 -0.788 0.958 1.00 0.00 C ATOM 0 H LEU A 13 7.525 1.666 1.407 1.00 0.00 H new ATOM 0 HA LEU A 13 5.582 -0.251 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.365 -1.735 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.926 -0.121 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 13 8.802 -0.231 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.665 -2.510 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.888 -2.509 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.858 -3.114 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.998 -0.923 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.187 -1.526 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.172 0.214 0.529 1.00 0.00 H new ATOM 181 N TYR A 14 6.962 -0.576 3.908 1.00 0.00 N ATOM 182 CA TYR A 14 6.781 -1.262 5.212 1.00 0.00 C ATOM 183 C TYR A 14 5.298 -1.202 5.550 1.00 0.00 C ATOM 184 O TYR A 14 4.699 -2.167 5.980 1.00 0.00 O ATOM 185 CB TYR A 14 7.585 -0.537 6.292 1.00 0.00 C ATOM 186 CG TYR A 14 8.219 -1.553 7.208 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.184 -2.434 6.709 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.841 -1.613 8.555 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.776 -3.378 7.559 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.432 -2.557 9.405 1.00 0.00 C ATOM 191 CZ TYR A 14 9.399 -3.441 8.907 1.00 0.00 C ATOM 192 OH TYR A 14 9.981 -4.371 9.744 1.00 0.00 O ATOM 0 H TYR A 14 7.651 0.176 3.902 1.00 0.00 H new ATOM 0 HA TYR A 14 7.127 -2.294 5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.353 0.085 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.935 0.127 6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.473 -2.387 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.095 -0.933 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.523 -4.057 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.142 -2.604 10.444 1.00 0.00 H new ATOM 0 HH TYR A 14 9.608 -4.279 10.645 1.00 0.00 H new ATOM 202 N GLN A 15 4.704 -0.067 5.323 1.00 0.00 N ATOM 203 CA GLN A 15 3.255 0.093 5.588 1.00 0.00 C ATOM 204 C GLN A 15 2.485 -0.644 4.498 1.00 0.00 C ATOM 205 O GLN A 15 1.363 -1.065 4.684 1.00 0.00 O ATOM 206 CB GLN A 15 2.909 1.580 5.544 1.00 0.00 C ATOM 207 CG GLN A 15 3.465 2.275 6.786 1.00 0.00 C ATOM 208 CD GLN A 15 3.018 3.738 6.795 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.140 4.428 5.803 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.501 4.244 7.881 1.00 0.00 N ATOM 0 H GLN A 15 5.169 0.766 4.961 1.00 0.00 H new ATOM 0 HA GLN A 15 2.994 -0.312 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.325 2.034 4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.828 1.710 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.113 1.771 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.553 2.216 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.398 3.665 8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.200 5.218 7.896 1.00 0.00 H new ATOM 219 N LEU A 16 3.099 -0.808 3.361 1.00 0.00 N ATOM 220 CA LEU A 16 2.439 -1.521 2.242 1.00 0.00 C ATOM 221 C LEU A 16 2.489 -3.019 2.523 1.00 0.00 C ATOM 222 O LEU A 16 1.604 -3.764 2.149 1.00 0.00 O ATOM 223 CB LEU A 16 3.182 -1.205 0.939 1.00 0.00 C ATOM 224 CG LEU A 16 3.094 0.298 0.601 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.836 0.458 -0.895 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.951 0.974 1.372 1.00 0.00 C ATOM 0 H LEU A 16 4.041 -0.473 3.160 1.00 0.00 H new ATOM 0 HA LEU A 16 1.401 -1.203 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.227 -1.500 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.757 -1.790 0.123 1.00 0.00 H new ATOM 0 HG LEU A 16 4.035 0.769 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.772 1.518 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.653 0.003 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.898 -0.032 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.914 2.032 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.005 0.502 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.122 0.868 2.443 1.00 0.00 H new ATOM 238 N GLU A 17 3.514 -3.465 3.195 1.00 0.00 N ATOM 239 CA GLU A 17 3.612 -4.911 3.520 1.00 0.00 C ATOM 240 C GLU A 17 2.530 -5.250 4.541 1.00 0.00 C ATOM 241 O GLU A 17 2.176 -6.397 4.733 1.00 0.00 O ATOM 242 CB GLU A 17 4.991 -5.214 4.110 1.00 0.00 C ATOM 243 CG GLU A 17 6.030 -5.249 2.987 1.00 0.00 C ATOM 244 CD GLU A 17 7.184 -6.169 3.386 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.929 -7.337 3.625 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.304 -5.689 3.445 1.00 0.00 O ATOM 0 H GLU A 17 4.286 -2.890 3.532 1.00 0.00 H new ATOM 0 HA GLU A 17 3.476 -5.508 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.259 -4.454 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.973 -6.170 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.571 -5.603 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.404 -4.244 2.792 1.00 0.00 H new ATOM 253 N ASN A 18 1.994 -4.253 5.194 1.00 0.00 N ATOM 254 CA ASN A 18 0.926 -4.510 6.199 1.00 0.00 C ATOM 255 C ASN A 18 -0.388 -4.810 5.472 1.00 0.00 C ATOM 256 O ASN A 18 -1.346 -5.266 6.064 1.00 0.00 O ATOM 257 CB ASN A 18 0.749 -3.275 7.085 1.00 0.00 C ATOM 258 CG ASN A 18 1.073 -3.638 8.536 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.139 -4.143 8.825 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.190 -3.400 9.467 1.00 0.00 N ATOM 0 H ASN A 18 2.251 -3.273 5.074 1.00 0.00 H new ATOM 0 HA ASN A 18 1.205 -5.362 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.404 -2.473 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.273 -2.905 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.395 -3.638 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.705 -2.976 9.224 1.00 0.00 H new ATOM 267 N TYR A 19 -0.438 -4.557 4.192 1.00 0.00 N ATOM 268 CA TYR A 19 -1.687 -4.826 3.424 1.00 0.00 C ATOM 269 C TYR A 19 -1.590 -6.196 2.748 1.00 0.00 C ATOM 270 O TYR A 19 -2.438 -6.573 1.965 1.00 0.00 O ATOM 271 CB TYR A 19 -1.859 -3.752 2.349 1.00 0.00 C ATOM 272 CG TYR A 19 -2.092 -2.409 3.000 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.044 -1.767 3.672 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.353 -1.805 2.930 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.257 -0.521 4.274 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.568 -0.558 3.531 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.520 0.084 4.205 1.00 0.00 C ATOM 278 OH TYR A 19 -2.730 1.312 4.798 1.00 0.00 O ATOM 0 H TYR A 19 0.333 -4.175 3.645 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.539 -4.813 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.972 -3.711 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.699 -4.003 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.071 -2.233 3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.161 -2.301 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.449 -0.026 4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.541 -0.092 3.475 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.871 1.767 4.921 1.00 0.00 H new ATOM 288 N CYS A 20 -0.558 -6.942 3.038 1.00 0.00 N ATOM 289 CA CYS A 20 -0.406 -8.282 2.403 1.00 0.00 C ATOM 290 C CYS A 20 -1.572 -9.185 2.810 1.00 0.00 C ATOM 291 O CYS A 20 -2.238 -8.950 3.798 1.00 0.00 O ATOM 292 CB CYS A 20 0.911 -8.913 2.858 1.00 0.00 C ATOM 293 SG CYS A 20 2.290 -7.843 2.376 1.00 0.00 S ATOM 0 H CYS A 20 0.185 -6.682 3.686 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.403 -8.168 1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.906 -9.053 3.939 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.028 -9.900 2.410 1.00 0.00 H new ATOM 298 N ASN A 21 -1.823 -10.217 2.051 1.00 0.00 N ATOM 299 CA ASN A 21 -2.944 -11.138 2.388 1.00 0.00 C ATOM 300 C ASN A 21 -2.517 -12.067 3.527 1.00 0.00 C ATOM 301 O ASN A 21 -2.239 -13.222 3.250 1.00 0.00 O ATOM 302 CB ASN A 21 -3.305 -11.972 1.158 1.00 0.00 C ATOM 303 CG ASN A 21 -4.259 -11.177 0.264 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.943 -10.286 0.727 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.335 -11.465 -1.006 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.475 -11.606 4.657 1.00 0.00 O ATOM 0 H ASN A 21 -1.299 -10.462 1.211 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.811 -10.556 2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.403 -12.232 0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.772 -12.908 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.969 -10.942 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.761 -12.213 -1.395 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.978 2.216 -1.955 1.00 0.00 N ATOM 315 CA PHE B 1 12.557 2.120 -1.515 1.00 0.00 C ATOM 316 C PHE B 1 12.299 3.135 -0.399 1.00 0.00 C ATOM 317 O PHE B 1 13.034 3.212 0.567 1.00 0.00 O ATOM 318 CB PHE B 1 12.279 0.706 -1.000 1.00 0.00 C ATOM 319 CG PHE B 1 11.235 0.049 -1.873 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.877 0.330 -1.674 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.626 -0.842 -2.882 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.909 -0.280 -2.483 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.658 -1.451 -3.692 1.00 0.00 C ATOM 324 CZ PHE B 1 9.300 -1.169 -3.493 1.00 0.00 C ATOM 0 H1 PHE B 1 14.154 1.526 -2.713 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.168 3.175 -2.309 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.605 2.013 -1.150 1.00 0.00 H new ATOM 0 HA PHE B 1 11.898 2.334 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.197 0.118 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.933 0.745 0.033 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.576 1.017 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.673 -1.059 -3.035 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.862 -0.065 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.959 -2.138 -4.470 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.554 -1.637 -4.118 1.00 0.00 H new ATOM 336 N VAL B 2 11.262 3.917 -0.525 1.00 0.00 N ATOM 337 CA VAL B 2 10.953 4.931 0.523 1.00 0.00 C ATOM 338 C VAL B 2 9.495 5.346 0.411 1.00 0.00 C ATOM 339 O VAL B 2 8.700 4.699 -0.242 1.00 0.00 O ATOM 340 CB VAL B 2 11.831 6.173 0.341 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.947 6.156 1.381 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.433 6.185 -1.065 1.00 0.00 C ATOM 0 H VAL B 2 10.613 3.897 -1.312 1.00 0.00 H new ATOM 0 HA VAL B 2 11.148 4.490 1.501 1.00 0.00 H new ATOM 0 HB VAL B 2 11.224 7.069 0.472 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.575 7.038 1.255 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.513 6.159 2.381 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.552 5.259 1.251 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.056 7.071 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.041 5.292 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.632 6.201 -1.804 1.00 0.00 H new ATOM 352 N ASN B 3 9.136 6.424 1.043 1.00 0.00 N ATOM 353 CA ASN B 3 7.724 6.875 0.965 1.00 0.00 C ATOM 354 C ASN B 3 7.378 7.147 -0.505 1.00 0.00 C ATOM 355 O ASN B 3 8.183 7.664 -1.253 1.00 0.00 O ATOM 356 CB ASN B 3 7.507 8.147 1.807 1.00 0.00 C ATOM 357 CG ASN B 3 8.548 8.224 2.927 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.643 8.707 2.720 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.249 7.765 4.112 1.00 0.00 N ATOM 0 H ASN B 3 9.754 7.008 1.606 1.00 0.00 H new ATOM 0 HA ASN B 3 7.073 6.097 1.364 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.580 9.029 1.171 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.504 8.143 2.233 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.935 7.812 4.865 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.329 7.360 4.285 1.00 0.00 H new ATOM 366 N GLN B 4 6.190 6.796 -0.930 1.00 0.00 N ATOM 367 CA GLN B 4 5.809 7.031 -2.354 1.00 0.00 C ATOM 368 C GLN B 4 4.321 7.363 -2.450 1.00 0.00 C ATOM 369 O GLN B 4 3.490 6.723 -1.835 1.00 0.00 O ATOM 370 CB GLN B 4 6.089 5.771 -3.175 1.00 0.00 C ATOM 371 CG GLN B 4 6.673 6.164 -4.534 1.00 0.00 C ATOM 372 CD GLN B 4 7.615 5.063 -5.024 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.426 4.514 -6.091 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.632 4.715 -4.283 1.00 0.00 N ATOM 0 H GLN B 4 5.471 6.359 -0.354 1.00 0.00 H new ATOM 0 HA GLN B 4 6.394 7.865 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.786 5.124 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.169 5.203 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.871 6.318 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.212 7.108 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.791 5.176 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.267 3.983 -4.600 1.00 0.00 H new ATOM 383 N HIS B 5 3.978 8.359 -3.217 1.00 0.00 N ATOM 384 CA HIS B 5 2.545 8.730 -3.357 1.00 0.00 C ATOM 385 C HIS B 5 1.847 7.697 -4.242 1.00 0.00 C ATOM 386 O HIS B 5 2.222 7.486 -5.378 1.00 0.00 O ATOM 387 CB HIS B 5 2.434 10.105 -4.013 1.00 0.00 C ATOM 388 CG HIS B 5 2.797 11.180 -3.025 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.827 11.887 -2.345 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.011 11.669 -2.633 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.470 12.773 -1.572 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.808 12.678 -1.714 1.00 0.00 N ATOM 0 H HIS B 5 4.629 8.932 -3.753 1.00 0.00 H new ATOM 0 HA HIS B 5 2.077 8.757 -2.373 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.094 10.158 -4.879 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.419 10.262 -4.377 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.817 11.760 -2.417 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.972 11.323 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.978 13.476 -0.916 1.00 0.00 H new ATOM 400 N LEU B 6 0.837 7.051 -3.735 1.00 0.00 N ATOM 401 CA LEU B 6 0.125 6.032 -4.554 1.00 0.00 C ATOM 402 C LEU B 6 -1.385 6.269 -4.457 1.00 0.00 C ATOM 403 O LEU B 6 -1.850 7.015 -3.625 1.00 0.00 O ATOM 404 CB LEU B 6 0.470 4.638 -4.034 1.00 0.00 C ATOM 405 CG LEU B 6 1.988 4.467 -3.967 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.311 3.081 -3.418 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.591 4.596 -5.365 1.00 0.00 C ATOM 0 H LEU B 6 0.474 7.183 -2.791 1.00 0.00 H new ATOM 0 HA LEU B 6 0.433 6.112 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.035 4.492 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.039 3.880 -4.688 1.00 0.00 H new ATOM 0 HG LEU B 6 2.406 5.238 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.392 2.952 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.886 2.977 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.886 2.322 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.672 4.473 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.172 3.827 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.359 5.580 -5.772 1.00 0.00 H new ATOM 419 N CYS B 7 -2.152 5.650 -5.312 1.00 0.00 N ATOM 420 CA CYS B 7 -3.629 5.859 -5.275 1.00 0.00 C ATOM 421 C CYS B 7 -4.354 4.622 -5.806 1.00 0.00 C ATOM 422 O CYS B 7 -5.095 3.968 -5.098 1.00 0.00 O ATOM 423 CB CYS B 7 -3.982 7.064 -6.151 1.00 0.00 C ATOM 424 SG CYS B 7 -5.519 7.819 -5.563 1.00 0.00 S ATOM 0 H CYS B 7 -1.822 5.009 -6.034 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.940 6.036 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.173 7.794 -6.124 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.094 6.751 -7.189 1.00 0.00 H new ATOM 429 N GLY B 8 -4.162 4.314 -7.053 1.00 0.00 N ATOM 430 CA GLY B 8 -4.856 3.134 -7.650 1.00 0.00 C ATOM 431 C GLY B 8 -3.845 2.070 -8.098 1.00 0.00 C ATOM 432 O GLY B 8 -3.341 1.305 -7.299 1.00 0.00 O ATOM 0 H GLY B 8 -3.553 4.827 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.543 2.704 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.455 3.453 -8.503 1.00 0.00 H new ATOM 436 N SER B 9 -3.556 2.005 -9.373 1.00 0.00 N ATOM 437 CA SER B 9 -2.594 0.981 -9.877 1.00 0.00 C ATOM 438 C SER B 9 -1.312 1.045 -9.059 1.00 0.00 C ATOM 439 O SER B 9 -0.849 0.063 -8.521 1.00 0.00 O ATOM 440 CB SER B 9 -2.277 1.255 -11.348 1.00 0.00 C ATOM 441 OG SER B 9 -1.074 0.586 -11.701 1.00 0.00 O ATOM 0 H SER B 9 -3.946 2.619 -10.088 1.00 0.00 H new ATOM 0 HA SER B 9 -3.037 -0.011 -9.782 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.097 0.911 -11.979 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.173 2.327 -11.516 1.00 0.00 H new ATOM 0 HG SER B 9 -0.868 0.758 -12.644 1.00 0.00 H new ATOM 447 N HIS B 10 -0.743 2.204 -8.964 1.00 0.00 N ATOM 448 CA HIS B 10 0.521 2.363 -8.177 1.00 0.00 C ATOM 449 C HIS B 10 0.296 2.032 -6.692 1.00 0.00 C ATOM 450 O HIS B 10 1.217 2.080 -5.902 1.00 0.00 O ATOM 451 CB HIS B 10 1.064 3.796 -8.286 1.00 0.00 C ATOM 452 CG HIS B 10 -0.032 4.773 -8.630 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.338 4.843 -8.231 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.197 5.835 -9.480 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.925 5.941 -8.822 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.958 6.511 -9.570 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.093 3.059 -9.396 1.00 0.00 H new ATOM 0 HA HIS B 10 1.247 1.667 -8.597 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.528 4.084 -7.343 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.842 3.835 -9.049 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.126 6.075 -9.976 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.946 6.275 -8.710 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.089 7.351 -10.134 1.00 0.00 H new ATOM 464 N LEU B 11 -0.893 1.655 -6.302 1.00 0.00 N ATOM 465 CA LEU B 11 -1.119 1.285 -4.882 1.00 0.00 C ATOM 466 C LEU B 11 -1.179 -0.219 -4.842 1.00 0.00 C ATOM 467 O LEU B 11 -0.538 -0.875 -4.046 1.00 0.00 O ATOM 468 CB LEU B 11 -2.442 1.863 -4.377 1.00 0.00 C ATOM 469 CG LEU B 11 -2.168 3.090 -3.514 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.478 3.592 -2.917 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.222 2.701 -2.380 1.00 0.00 C ATOM 0 H LEU B 11 -1.712 1.589 -6.906 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.324 1.678 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.078 2.134 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.981 1.113 -3.799 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.718 3.873 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.284 4.469 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.165 3.858 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.922 2.808 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.021 3.573 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.683 1.921 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.286 2.330 -2.798 1.00 0.00 H new ATOM 483 N VAL B 12 -1.915 -0.759 -5.755 1.00 0.00 N ATOM 484 CA VAL B 12 -2.007 -2.221 -5.863 1.00 0.00 C ATOM 485 C VAL B 12 -0.683 -2.685 -6.433 1.00 0.00 C ATOM 486 O VAL B 12 -0.170 -3.740 -6.111 1.00 0.00 O ATOM 487 CB VAL B 12 -3.142 -2.577 -6.825 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.356 -1.694 -6.531 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.680 -2.341 -8.268 1.00 0.00 C ATOM 0 H VAL B 12 -2.464 -0.240 -6.440 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.208 -2.692 -4.901 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.413 -3.625 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.165 -1.947 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.685 -1.858 -5.505 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.084 -0.647 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.488 -2.594 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.410 -1.293 -8.397 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.814 -2.968 -8.480 1.00 0.00 H new ATOM 499 N GLU B 13 -0.119 -1.866 -7.273 1.00 0.00 N ATOM 500 CA GLU B 13 1.183 -2.202 -7.870 1.00 0.00 C ATOM 501 C GLU B 13 2.219 -2.087 -6.762 1.00 0.00 C ATOM 502 O GLU B 13 3.151 -2.861 -6.670 1.00 0.00 O ATOM 503 CB GLU B 13 1.511 -1.222 -8.999 1.00 0.00 C ATOM 504 CG GLU B 13 0.659 -1.550 -10.227 1.00 0.00 C ATOM 505 CD GLU B 13 1.530 -1.485 -11.483 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.805 -0.385 -11.934 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.906 -2.537 -11.974 1.00 0.00 O ATOM 0 H GLU B 13 -0.514 -0.973 -7.569 1.00 0.00 H new ATOM 0 HA GLU B 13 1.172 -3.207 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.320 -0.199 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.570 -1.283 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.222 -2.543 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.168 -0.845 -10.308 1.00 0.00 H new ATOM 514 N ALA B 14 2.027 -1.129 -5.899 1.00 0.00 N ATOM 515 CA ALA B 14 2.953 -0.945 -4.758 1.00 0.00 C ATOM 516 C ALA B 14 2.773 -2.129 -3.811 1.00 0.00 C ATOM 517 O ALA B 14 3.724 -2.759 -3.395 1.00 0.00 O ATOM 518 CB ALA B 14 2.601 0.354 -4.033 1.00 0.00 C ATOM 0 H ALA B 14 1.258 -0.460 -5.940 1.00 0.00 H new ATOM 0 HA ALA B 14 3.986 -0.892 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.279 0.496 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.697 1.193 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.575 0.300 -3.668 1.00 0.00 H new ATOM 524 N LEU B 15 1.548 -2.448 -3.488 1.00 0.00 N ATOM 525 CA LEU B 15 1.295 -3.603 -2.588 1.00 0.00 C ATOM 526 C LEU B 15 1.753 -4.872 -3.291 1.00 0.00 C ATOM 527 O LEU B 15 2.399 -5.724 -2.715 1.00 0.00 O ATOM 528 CB LEU B 15 -0.206 -3.708 -2.280 1.00 0.00 C ATOM 529 CG LEU B 15 -0.736 -2.448 -1.563 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.539 -2.878 -0.341 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.408 -1.542 -1.097 1.00 0.00 C ATOM 0 H LEU B 15 0.714 -1.957 -3.810 1.00 0.00 H new ATOM 0 HA LEU B 15 1.840 -3.468 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.758 -3.856 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.388 -4.584 -1.657 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.354 -1.891 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.919 -1.995 0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.375 -3.502 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.898 -3.444 0.335 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.003 -0.665 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.046 -2.090 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.996 -1.226 -1.959 1.00 0.00 H new ATOM 543 N TYR B 16 1.424 -4.999 -4.541 1.00 0.00 N ATOM 544 CA TYR B 16 1.845 -6.210 -5.294 1.00 0.00 C ATOM 545 C TYR B 16 3.372 -6.268 -5.328 1.00 0.00 C ATOM 546 O TYR B 16 3.961 -7.307 -5.551 1.00 0.00 O ATOM 547 CB TYR B 16 1.299 -6.141 -6.726 1.00 0.00 C ATOM 548 CG TYR B 16 2.002 -7.160 -7.587 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.062 -8.499 -7.179 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.596 -6.768 -8.793 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.717 -9.446 -7.976 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.250 -7.714 -9.593 1.00 0.00 C ATOM 553 CZ TYR B 16 3.312 -9.053 -9.184 1.00 0.00 C ATOM 554 OH TYR B 16 3.955 -9.986 -9.971 1.00 0.00 O ATOM 0 H TYR B 16 0.883 -4.319 -5.075 1.00 0.00 H new ATOM 0 HA TYR B 16 1.454 -7.103 -4.806 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.225 -6.329 -6.726 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.447 -5.141 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.603 -8.801 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.550 -5.736 -9.107 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.764 -10.478 -7.661 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.706 -7.412 -10.524 1.00 0.00 H new ATOM 0 HH TYR B 16 4.311 -9.549 -10.773 1.00 0.00 H new ATOM 564 N LEU B 17 4.016 -5.158 -5.105 1.00 0.00 N ATOM 565 CA LEU B 17 5.504 -5.146 -5.121 1.00 0.00 C ATOM 566 C LEU B 17 6.022 -5.311 -3.694 1.00 0.00 C ATOM 567 O LEU B 17 7.111 -5.802 -3.471 1.00 0.00 O ATOM 568 CB LEU B 17 6.000 -3.820 -5.702 1.00 0.00 C ATOM 569 CG LEU B 17 7.196 -4.079 -6.620 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.815 -5.115 -7.680 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.598 -2.775 -7.309 1.00 0.00 C ATOM 0 H LEU B 17 3.576 -4.258 -4.912 1.00 0.00 H new ATOM 0 HA LEU B 17 5.872 -5.965 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.200 -3.333 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.286 -3.143 -4.897 1.00 0.00 H new ATOM 0 HG LEU B 17 8.031 -4.455 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.668 -5.298 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.525 -6.046 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.980 -4.740 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.450 -2.957 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.761 -2.402 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.870 -2.035 -6.557 1.00 0.00 H new ATOM 583 N VAL B 18 5.248 -4.914 -2.723 1.00 0.00 N ATOM 584 CA VAL B 18 5.698 -5.061 -1.313 1.00 0.00 C ATOM 585 C VAL B 18 5.325 -6.454 -0.816 1.00 0.00 C ATOM 586 O VAL B 18 6.069 -7.094 -0.099 1.00 0.00 O ATOM 587 CB VAL B 18 5.027 -3.995 -0.440 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.017 -2.659 -1.182 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.587 -4.412 -0.123 1.00 0.00 C ATOM 0 H VAL B 18 4.326 -4.495 -2.845 1.00 0.00 H new ATOM 0 HA VAL B 18 6.779 -4.931 -1.255 1.00 0.00 H new ATOM 0 HB VAL B 18 5.585 -3.892 0.491 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.540 -1.901 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.041 -2.357 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.463 -2.765 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.116 -3.650 0.498 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.027 -4.521 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.593 -5.362 0.411 1.00 0.00 H new ATOM 599 N CYS B 19 4.175 -6.926 -1.197 1.00 0.00 N ATOM 600 CA CYS B 19 3.742 -8.280 -0.756 1.00 0.00 C ATOM 601 C CYS B 19 4.180 -9.314 -1.795 1.00 0.00 C ATOM 602 O CYS B 19 4.124 -10.505 -1.562 1.00 0.00 O ATOM 603 CB CYS B 19 2.220 -8.304 -0.612 1.00 0.00 C ATOM 604 SG CYS B 19 1.717 -7.062 0.603 1.00 0.00 S ATOM 0 H CYS B 19 3.513 -6.433 -1.796 1.00 0.00 H new ATOM 0 HA CYS B 19 4.198 -8.518 0.205 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.749 -8.101 -1.574 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.888 -9.293 -0.297 1.00 0.00 H new ATOM 609 N GLY B 20 4.618 -8.867 -2.941 1.00 0.00 N ATOM 610 CA GLY B 20 5.063 -9.822 -3.993 1.00 0.00 C ATOM 611 C GLY B 20 4.020 -10.928 -4.159 1.00 0.00 C ATOM 612 O GLY B 20 2.854 -10.667 -4.382 1.00 0.00 O ATOM 0 H GLY B 20 4.686 -7.881 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.204 -9.297 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.026 -10.255 -3.721 1.00 0.00 H new ATOM 616 N GLU B 21 4.429 -12.162 -4.056 1.00 0.00 N ATOM 617 CA GLU B 21 3.462 -13.284 -4.210 1.00 0.00 C ATOM 618 C GLU B 21 2.383 -13.183 -3.131 1.00 0.00 C ATOM 619 O GLU B 21 1.227 -13.474 -3.365 1.00 0.00 O ATOM 620 CB GLU B 21 4.200 -14.618 -4.074 1.00 0.00 C ATOM 621 CG GLU B 21 3.781 -15.551 -5.212 1.00 0.00 C ATOM 622 CD GLU B 21 4.365 -16.944 -4.972 1.00 0.00 C ATOM 623 OE1 GLU B 21 5.511 -17.155 -5.335 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.657 -17.776 -4.429 1.00 0.00 O ATOM 0 H GLU B 21 5.392 -12.442 -3.872 1.00 0.00 H new ATOM 0 HA GLU B 21 2.995 -13.227 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.277 -14.454 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.972 -15.076 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.694 -15.606 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.131 -15.158 -6.166 1.00 0.00 H new ATOM 631 N ARG B 22 2.751 -12.771 -1.950 1.00 0.00 N ATOM 632 CA ARG B 22 1.745 -12.651 -0.857 1.00 0.00 C ATOM 633 C ARG B 22 0.595 -11.759 -1.326 1.00 0.00 C ATOM 634 O ARG B 22 -0.493 -11.793 -0.786 1.00 0.00 O ATOM 635 CB ARG B 22 2.403 -12.030 0.377 1.00 0.00 C ATOM 636 CG ARG B 22 2.610 -13.108 1.444 1.00 0.00 C ATOM 637 CD ARG B 22 2.170 -12.570 2.806 1.00 0.00 C ATOM 638 NE ARG B 22 2.670 -13.474 3.882 1.00 0.00 N ATOM 639 CZ ARG B 22 2.362 -13.237 5.127 1.00 0.00 C ATOM 640 NH1 ARG B 22 1.412 -12.389 5.414 1.00 0.00 N ATOM 641 NH2 ARG B 22 3.003 -13.848 6.085 1.00 0.00 N ATOM 0 H ARG B 22 3.704 -12.512 -1.694 1.00 0.00 H new ATOM 0 HA ARG B 22 1.361 -13.639 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.360 -11.584 0.106 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.778 -11.229 0.771 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.036 -14.000 1.191 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.659 -13.403 1.479 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.558 -11.562 2.954 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.083 -12.503 2.849 1.00 0.00 H new ATOM 0 HE ARG B 22 3.252 -14.277 3.644 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.911 -11.912 4.665 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.171 -12.204 6.388 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.745 -14.511 5.860 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.762 -13.663 7.059 1.00 0.00 H new ATOM 655 N GLY B 23 0.833 -10.961 -2.328 1.00 0.00 N ATOM 656 CA GLY B 23 -0.239 -10.063 -2.844 1.00 0.00 C ATOM 657 C GLY B 23 -0.886 -9.314 -1.677 1.00 0.00 C ATOM 658 O GLY B 23 -0.305 -9.172 -0.620 1.00 0.00 O ATOM 0 H GLY B 23 1.727 -10.891 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.179 -9.353 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.990 -10.646 -3.377 1.00 0.00 H new ATOM 662 N PHE B 24 -2.084 -8.830 -1.862 1.00 0.00 N ATOM 663 CA PHE B 24 -2.764 -8.087 -0.764 1.00 0.00 C ATOM 664 C PHE B 24 -4.267 -8.025 -1.044 1.00 0.00 C ATOM 665 O PHE B 24 -4.759 -8.614 -1.986 1.00 0.00 O ATOM 666 CB PHE B 24 -2.205 -6.665 -0.698 1.00 0.00 C ATOM 667 CG PHE B 24 -2.195 -6.070 -2.086 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.244 -6.499 -3.021 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.137 -5.096 -2.441 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.234 -5.952 -4.310 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.126 -4.548 -3.732 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.176 -4.977 -4.667 1.00 0.00 C ATOM 0 H PHE B 24 -2.620 -8.917 -2.725 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.591 -8.597 0.184 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.813 -6.053 -0.032 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.195 -6.677 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.519 -7.251 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.872 -4.767 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.500 -6.282 -5.030 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.850 -3.795 -4.005 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.169 -4.557 -5.662 1.00 0.00 H new ATOM 682 N PHE B 25 -4.998 -7.309 -0.235 1.00 0.00 N ATOM 683 CA PHE B 25 -6.467 -7.201 -0.457 1.00 0.00 C ATOM 684 C PHE B 25 -6.802 -5.783 -0.912 1.00 0.00 C ATOM 685 O PHE B 25 -7.730 -5.561 -1.664 1.00 0.00 O ATOM 686 CB PHE B 25 -7.207 -7.511 0.846 1.00 0.00 C ATOM 687 CG PHE B 25 -8.675 -7.713 0.554 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.120 -8.924 0.005 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.592 -6.691 0.833 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.482 -9.110 -0.266 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.954 -6.878 0.562 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.399 -8.088 0.012 1.00 0.00 C ATOM 0 H PHE B 25 -4.641 -6.794 0.570 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.775 -7.913 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.791 -8.405 1.309 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.075 -6.694 1.555 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.414 -9.713 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.249 -5.759 1.257 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.825 -10.042 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.661 -6.090 0.777 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.449 -8.232 -0.197 1.00 0.00 H new ATOM 702 N TYR B 26 -6.044 -4.824 -0.464 1.00 0.00 N ATOM 703 CA TYR B 26 -6.297 -3.411 -0.865 1.00 0.00 C ATOM 704 C TYR B 26 -7.737 -3.024 -0.518 1.00 0.00 C ATOM 705 O TYR B 26 -8.682 -3.520 -1.098 1.00 0.00 O ATOM 706 CB TYR B 26 -6.078 -3.264 -2.371 1.00 0.00 C ATOM 707 CG TYR B 26 -6.104 -1.801 -2.744 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.418 -0.864 -1.960 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.817 -1.380 -3.875 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.445 0.494 -2.308 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.844 -0.023 -4.222 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.158 0.914 -3.439 1.00 0.00 C ATOM 713 OH TYR B 26 -6.187 2.250 -3.779 1.00 0.00 O ATOM 0 H TYR B 26 -5.254 -4.958 0.167 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.610 -2.755 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.123 -3.706 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.853 -3.803 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.869 -1.188 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.346 -2.102 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.916 1.217 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.394 0.301 -5.093 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.575 2.410 -4.528 1.00 0.00 H new ATOM 723 N THR B 27 -7.911 -2.138 0.423 1.00 0.00 N ATOM 724 CA THR B 27 -9.290 -1.716 0.803 1.00 0.00 C ATOM 725 C THR B 27 -9.662 -0.444 0.039 1.00 0.00 C ATOM 726 O THR B 27 -8.814 0.236 -0.504 1.00 0.00 O ATOM 727 CB THR B 27 -9.342 -1.440 2.308 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.261 -0.592 2.671 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.239 -2.758 3.076 1.00 0.00 C ATOM 0 H THR B 27 -7.159 -1.688 0.945 1.00 0.00 H new ATOM 0 HA THR B 27 -9.995 -2.509 0.554 1.00 0.00 H new ATOM 0 HB THR B 27 -10.285 -0.952 2.554 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.294 -0.413 3.634 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.276 -2.559 4.147 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.070 -3.407 2.798 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.297 -3.249 2.831 1.00 0.00 H new ATOM 737 N LYS B 28 -10.926 -0.116 -0.003 1.00 0.00 N ATOM 738 CA LYS B 28 -11.358 1.113 -0.726 1.00 0.00 C ATOM 739 C LYS B 28 -12.878 1.068 -0.961 1.00 0.00 C ATOM 740 O LYS B 28 -13.574 2.007 -0.633 1.00 0.00 O ATOM 741 CB LYS B 28 -10.593 1.226 -2.059 1.00 0.00 C ATOM 742 CG LYS B 28 -11.421 1.997 -3.094 1.00 0.00 C ATOM 743 CD LYS B 28 -10.483 2.746 -4.044 1.00 0.00 C ATOM 744 CE LYS B 28 -10.986 4.178 -4.233 1.00 0.00 C ATOM 745 NZ LYS B 28 -11.770 4.265 -5.498 1.00 0.00 N ATOM 0 H LYS B 28 -11.679 -0.648 0.434 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.131 1.994 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.642 1.732 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.363 0.230 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.052 1.309 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.086 2.701 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.471 2.755 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.438 2.235 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.607 4.472 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.144 4.869 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.113 5.238 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.164 4.001 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.581 3.616 -5.449 1.00 0.00 H new ATOM 759 N PRO B 29 -13.352 -0.020 -1.520 1.00 0.00 N ATOM 760 CA PRO B 29 -14.789 -0.197 -1.798 1.00 0.00 C ATOM 761 C PRO B 29 -15.538 -0.558 -0.512 1.00 0.00 C ATOM 762 O PRO B 29 -15.314 -1.597 0.078 1.00 0.00 O ATOM 763 CB PRO B 29 -14.823 -1.359 -2.793 1.00 0.00 C ATOM 764 CG PRO B 29 -13.503 -2.139 -2.597 1.00 0.00 C ATOM 765 CD PRO B 29 -12.513 -1.168 -1.924 1.00 0.00 C ATOM 0 HA PRO B 29 -15.266 0.703 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.685 -2.001 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.909 -0.992 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.663 -3.021 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.114 -2.488 -3.553 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.026 -1.628 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.724 -0.863 -2.612 1.00 0.00 H new ATOM 773 N THR B 30 -16.426 0.291 -0.072 1.00 0.00 N ATOM 774 CA THR B 30 -17.187 -0.005 1.174 1.00 0.00 C ATOM 775 C THR B 30 -18.625 0.495 1.024 1.00 0.00 C ATOM 776 O THR B 30 -18.885 1.620 1.418 1.00 0.00 O ATOM 777 CB THR B 30 -16.521 0.702 2.357 1.00 0.00 C ATOM 778 OG1 THR B 30 -15.596 1.664 1.872 1.00 0.00 O ATOM 779 CG2 THR B 30 -15.787 -0.324 3.220 1.00 0.00 C ATOM 780 OXT THR B 30 -19.443 -0.257 0.517 1.00 0.00 O ATOM 0 H THR B 30 -16.657 1.177 -0.522 1.00 0.00 H new ATOM 0 HA THR B 30 -17.193 -1.081 1.350 1.00 0.00 H new ATOM 0 HB THR B 30 -17.282 1.200 2.958 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.170 2.119 2.628 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.313 0.181 4.062 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.498 -1.061 3.593 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.025 -0.824 2.622 1.00 0.00 H new TER 788 THR B 30