USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 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 15 GLN : amide:sc= -3.03! C(o=-3!,f=-1.8!) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0714 X(o=-0.071,f=-0.28) USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.457 USER MOD Single : A 9 SER OG : rot 180:sc= -0.497 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= -0.273 K(o=-0.27,f=-2.3!) USER MOD Single : A 21 ASN : amide:sc= -0.0496 K(o=-0.05,f=-2.1!) USER MOD Single : B 1 PHE N :NH3+ -116:sc= 1.15 (180deg=0.348) USER MOD Single : B 3 ASN : amide:sc= 0.567! C(o=0.57!,f=-4.4!) USER MOD Single : B 4 GLN : amide:sc= -0.215 K(o=-0.21,f=-0.72) USER MOD Single : B 5 HIS : no HD1:sc= -4.95! C(o=-4.9!,f=-5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00908 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 110:sc= -5.26! USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.47! USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.862 6.683 3.481 1.00 0.00 N ATOM 2 CA GLY A 1 -9.400 7.018 3.773 1.00 0.00 C ATOM 3 C GLY A 1 -8.334 6.441 2.905 1.00 0.00 C ATOM 4 O GLY A 1 -7.320 7.061 2.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.473 7.162 4.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.107 7.004 2.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.003 5.655 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.299 8.103 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.191 6.710 4.798 1.00 0.00 H new ATOM 10 N ILE A 2 -8.538 5.246 2.426 1.00 0.00 N ATOM 11 CA ILE A 2 -7.520 4.600 1.548 1.00 0.00 C ATOM 12 C ILE A 2 -7.060 5.591 0.482 1.00 0.00 C ATOM 13 O ILE A 2 -5.953 6.092 0.512 1.00 0.00 O ATOM 14 CB ILE A 2 -8.143 3.379 0.867 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.670 2.410 1.934 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.091 2.677 -0.001 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.519 1.572 2.502 1.00 0.00 C ATOM 0 H ILE A 2 -9.371 4.685 2.605 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.665 4.291 2.150 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.970 3.700 0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.153 2.968 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.426 1.756 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.539 1.808 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.727 3.368 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.259 2.355 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.905 0.888 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.055 1.000 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.778 2.231 2.954 1.00 0.00 H new ATOM 29 N VAL A 3 -7.910 5.876 -0.457 1.00 0.00 N ATOM 30 CA VAL A 3 -7.550 6.836 -1.537 1.00 0.00 C ATOM 31 C VAL A 3 -7.116 8.146 -0.898 1.00 0.00 C ATOM 32 O VAL A 3 -6.107 8.724 -1.243 1.00 0.00 O ATOM 33 CB VAL A 3 -8.781 7.038 -2.443 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.019 8.522 -2.778 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.566 6.265 -3.744 1.00 0.00 C ATOM 0 H VAL A 3 -8.849 5.483 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.728 6.457 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.657 6.673 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.896 8.614 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.181 9.081 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.148 8.922 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.430 6.400 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.673 6.638 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.441 5.205 -3.521 1.00 0.00 H new ATOM 45 N GLU A 4 -7.879 8.610 0.032 1.00 0.00 N ATOM 46 CA GLU A 4 -7.524 9.893 0.702 1.00 0.00 C ATOM 47 C GLU A 4 -6.185 9.754 1.432 1.00 0.00 C ATOM 48 O GLU A 4 -5.639 10.723 1.920 1.00 0.00 O ATOM 49 CB GLU A 4 -8.617 10.281 1.700 1.00 0.00 C ATOM 50 CG GLU A 4 -8.681 11.807 1.808 1.00 0.00 C ATOM 51 CD GLU A 4 -9.515 12.200 3.028 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.148 11.806 4.123 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.504 12.890 2.846 1.00 0.00 O ATOM 0 H GLU A 4 -8.734 8.165 0.364 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.437 10.672 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.580 9.887 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.407 9.844 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.675 12.218 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.120 12.228 0.904 1.00 0.00 H new ATOM 60 N GLN A 5 -5.643 8.567 1.515 1.00 0.00 N ATOM 61 CA GLN A 5 -4.338 8.402 2.215 1.00 0.00 C ATOM 62 C GLN A 5 -3.217 8.199 1.195 1.00 0.00 C ATOM 63 O GLN A 5 -2.145 8.758 1.319 1.00 0.00 O ATOM 64 CB GLN A 5 -4.398 7.192 3.150 1.00 0.00 C ATOM 65 CG GLN A 5 -3.010 6.941 3.746 1.00 0.00 C ATOM 66 CD GLN A 5 -2.648 8.088 4.693 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.419 8.440 5.562 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.498 8.691 4.558 1.00 0.00 N ATOM 0 H GLN A 5 -6.045 7.712 1.131 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.137 9.301 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.121 7.369 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.736 6.312 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.999 5.993 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.269 6.864 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.850 8.396 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.248 9.458 5.183 1.00 0.00 H new ATOM 77 N CYS A 6 -3.448 7.399 0.195 1.00 0.00 N ATOM 78 CA CYS A 6 -2.410 7.146 -0.817 1.00 0.00 C ATOM 79 C CYS A 6 -2.764 7.922 -2.104 1.00 0.00 C ATOM 80 O CYS A 6 -1.984 8.712 -2.602 1.00 0.00 O ATOM 81 CB CYS A 6 -2.363 5.638 -1.043 1.00 0.00 C ATOM 82 SG CYS A 6 -2.166 4.806 0.551 1.00 0.00 S ATOM 0 H CYS A 6 -4.328 6.906 0.041 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.426 7.488 -0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.278 5.302 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.536 5.383 -1.705 1.00 0.00 H new ATOM 87 N CYS A 7 -3.938 7.736 -2.637 1.00 0.00 N ATOM 88 CA CYS A 7 -4.317 8.504 -3.863 1.00 0.00 C ATOM 89 C CYS A 7 -3.933 9.972 -3.669 1.00 0.00 C ATOM 90 O CYS A 7 -3.530 10.648 -4.595 1.00 0.00 O ATOM 91 CB CYS A 7 -5.826 8.413 -4.089 1.00 0.00 C ATOM 92 SG CYS A 7 -6.280 9.205 -5.661 1.00 0.00 S ATOM 0 H CYS A 7 -4.648 7.094 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.796 8.087 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.136 7.368 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.353 8.895 -3.266 1.00 0.00 H new ATOM 97 N THR A 8 -4.064 10.470 -2.469 1.00 0.00 N ATOM 98 CA THR A 8 -3.720 11.899 -2.210 1.00 0.00 C ATOM 99 C THR A 8 -2.261 12.030 -1.757 1.00 0.00 C ATOM 100 O THR A 8 -1.703 13.111 -1.762 1.00 0.00 O ATOM 101 CB THR A 8 -4.640 12.453 -1.120 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.960 11.973 -1.331 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.637 13.982 -1.175 1.00 0.00 C ATOM 0 H THR A 8 -4.394 9.949 -1.656 1.00 0.00 H new ATOM 0 HA THR A 8 -3.853 12.463 -3.133 1.00 0.00 H new ATOM 0 HB THR A 8 -4.285 12.127 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.597 12.549 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.293 14.375 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.624 14.350 -1.015 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.993 14.312 -2.151 1.00 0.00 H new ATOM 111 N SER A 9 -1.633 10.955 -1.363 1.00 0.00 N ATOM 112 CA SER A 9 -0.212 11.063 -0.912 1.00 0.00 C ATOM 113 C SER A 9 0.460 9.687 -0.904 1.00 0.00 C ATOM 114 O SER A 9 -0.075 8.714 -1.383 1.00 0.00 O ATOM 115 CB SER A 9 -0.174 11.657 0.496 1.00 0.00 C ATOM 116 OG SER A 9 -1.492 12.018 0.886 1.00 0.00 O ATOM 0 H SER A 9 -2.034 10.018 -1.333 1.00 0.00 H new ATOM 0 HA SER A 9 0.328 11.709 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.241 10.933 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.477 12.531 0.518 1.00 0.00 H new ATOM 0 HG SER A 9 -1.473 12.398 1.789 1.00 0.00 H new ATOM 122 N ILE A 10 1.647 9.611 -0.373 1.00 0.00 N ATOM 123 CA ILE A 10 2.370 8.309 -0.347 1.00 0.00 C ATOM 124 C ILE A 10 2.167 7.616 1.002 1.00 0.00 C ATOM 125 O ILE A 10 2.306 8.218 2.050 1.00 0.00 O ATOM 126 CB ILE A 10 3.862 8.564 -0.556 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.074 9.323 -1.867 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.604 7.228 -0.621 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.632 10.778 -1.703 1.00 0.00 C ATOM 0 H ILE A 10 2.149 10.395 0.045 1.00 0.00 H new ATOM 0 HA ILE A 10 1.980 7.669 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 10 4.246 9.156 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.125 9.283 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.506 8.849 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.668 7.410 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.456 6.684 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.217 6.637 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.786 11.313 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.576 10.809 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.219 11.250 -0.915 1.00 0.00 H new ATOM 141 N CYS A 11 1.863 6.346 0.984 1.00 0.00 N ATOM 142 CA CYS A 11 1.677 5.605 2.265 1.00 0.00 C ATOM 143 C CYS A 11 2.777 4.548 2.394 1.00 0.00 C ATOM 144 O CYS A 11 3.721 4.528 1.630 1.00 0.00 O ATOM 145 CB CYS A 11 0.301 4.927 2.302 1.00 0.00 C ATOM 146 SG CYS A 11 -0.185 4.405 0.638 1.00 0.00 S ATOM 0 H CYS A 11 1.736 5.790 0.138 1.00 0.00 H new ATOM 0 HA CYS A 11 1.736 6.308 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.331 4.064 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.441 5.616 2.706 1.00 0.00 H new ATOM 151 N SER A 12 2.672 3.679 3.360 1.00 0.00 N ATOM 152 CA SER A 12 3.723 2.637 3.543 1.00 0.00 C ATOM 153 C SER A 12 3.499 1.473 2.579 1.00 0.00 C ATOM 154 O SER A 12 2.486 0.804 2.621 1.00 0.00 O ATOM 155 CB SER A 12 3.678 2.115 4.979 1.00 0.00 C ATOM 156 OG SER A 12 5.004 1.901 5.443 1.00 0.00 O ATOM 0 H SER A 12 1.905 3.644 4.031 1.00 0.00 H new ATOM 0 HA SER A 12 4.696 3.084 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.166 2.831 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.111 1.185 5.022 1.00 0.00 H new ATOM 0 HG SER A 12 4.978 1.568 6.364 1.00 0.00 H new ATOM 162 N LEU A 13 4.448 1.207 1.724 1.00 0.00 N ATOM 163 CA LEU A 13 4.286 0.067 0.782 1.00 0.00 C ATOM 164 C LEU A 13 3.848 -1.156 1.583 1.00 0.00 C ATOM 165 O LEU A 13 3.151 -2.019 1.090 1.00 0.00 O ATOM 166 CB LEU A 13 5.618 -0.223 0.079 1.00 0.00 C ATOM 167 CG LEU A 13 5.446 -1.381 -0.911 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.414 -2.707 -0.149 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.137 -1.212 -1.689 1.00 0.00 C ATOM 0 H LEU A 13 5.322 1.726 1.638 1.00 0.00 H new ATOM 0 HA LEU A 13 3.540 0.309 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.963 0.668 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.381 -0.474 0.816 1.00 0.00 H new ATOM 0 HG LEU A 13 6.283 -1.380 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.292 -3.529 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.348 -2.835 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.580 -2.704 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.021 -2.038 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.298 -1.207 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.159 -0.270 -2.238 1.00 0.00 H new ATOM 181 N TYR A 14 4.243 -1.225 2.827 1.00 0.00 N ATOM 182 CA TYR A 14 3.839 -2.381 3.670 1.00 0.00 C ATOM 183 C TYR A 14 2.322 -2.382 3.797 1.00 0.00 C ATOM 184 O TYR A 14 1.669 -3.385 3.587 1.00 0.00 O ATOM 185 CB TYR A 14 4.475 -2.262 5.056 1.00 0.00 C ATOM 186 CG TYR A 14 4.805 -3.642 5.574 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.839 -4.378 6.274 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.075 -4.189 5.348 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.145 -5.660 6.749 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.381 -5.471 5.824 1.00 0.00 C ATOM 191 CZ TYR A 14 5.416 -6.206 6.523 1.00 0.00 C ATOM 192 OH TYR A 14 5.716 -7.470 6.989 1.00 0.00 O ATOM 0 H TYR A 14 4.827 -0.530 3.292 1.00 0.00 H new ATOM 0 HA TYR A 14 4.175 -3.311 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.379 -1.655 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.792 -1.758 5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.860 -3.957 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.818 -3.622 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.402 -6.227 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.361 -5.892 5.652 1.00 0.00 H new ATOM 0 HH TYR A 14 6.638 -7.698 6.747 1.00 0.00 H new ATOM 202 N GLN A 15 1.756 -1.258 4.119 1.00 0.00 N ATOM 203 CA GLN A 15 0.276 -1.187 4.238 1.00 0.00 C ATOM 204 C GLN A 15 -0.320 -1.404 2.850 1.00 0.00 C ATOM 205 O GLN A 15 -1.318 -2.076 2.684 1.00 0.00 O ATOM 206 CB GLN A 15 -0.148 0.177 4.814 1.00 0.00 C ATOM 207 CG GLN A 15 -0.354 1.204 3.693 1.00 0.00 C ATOM 208 CD GLN A 15 -0.857 2.519 4.291 1.00 0.00 C ATOM 209 OE1 GLN A 15 -1.952 2.954 3.994 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.099 3.173 5.126 1.00 0.00 N ATOM 0 H GLN A 15 2.252 -0.386 4.305 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.089 -1.956 4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.070 0.065 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.613 0.536 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.582 1.369 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.072 0.825 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.820 2.807 5.375 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.425 4.051 5.531 1.00 0.00 H new ATOM 219 N LEU A 16 0.310 -0.859 1.849 1.00 0.00 N ATOM 220 CA LEU A 16 -0.196 -1.053 0.461 1.00 0.00 C ATOM 221 C LEU A 16 -0.110 -2.537 0.126 1.00 0.00 C ATOM 222 O LEU A 16 -0.930 -3.080 -0.587 1.00 0.00 O ATOM 223 CB LEU A 16 0.669 -0.258 -0.525 1.00 0.00 C ATOM 224 CG LEU A 16 0.437 -0.772 -1.953 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.807 0.315 -2.956 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.312 -2.002 -2.211 1.00 0.00 C ATOM 0 H LEU A 16 1.152 -0.289 1.930 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.226 -0.704 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.423 0.802 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.722 -0.356 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.614 -1.038 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.641 -0.053 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.188 1.195 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.857 0.581 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.143 -2.362 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.362 -1.733 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.055 -2.787 -1.500 1.00 0.00 H new ATOM 238 N GLU A 17 0.891 -3.186 0.638 1.00 0.00 N ATOM 239 CA GLU A 17 1.069 -4.636 0.365 1.00 0.00 C ATOM 240 C GLU A 17 -0.056 -5.422 1.029 1.00 0.00 C ATOM 241 O GLU A 17 -0.606 -6.342 0.458 1.00 0.00 O ATOM 242 CB GLU A 17 2.414 -5.086 0.926 1.00 0.00 C ATOM 243 CG GLU A 17 2.489 -6.614 0.918 1.00 0.00 C ATOM 244 CD GLU A 17 3.822 -7.064 1.515 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.425 -6.277 2.226 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.218 -8.187 1.254 1.00 0.00 O ATOM 0 H GLU A 17 1.602 -2.771 1.240 1.00 0.00 H new ATOM 0 HA GLU A 17 1.043 -4.816 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.226 -4.669 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.539 -4.711 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.662 -7.032 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.391 -6.988 -0.101 1.00 0.00 H new ATOM 253 N ASN A 18 -0.412 -5.056 2.223 1.00 0.00 N ATOM 254 CA ASN A 18 -1.515 -5.775 2.918 1.00 0.00 C ATOM 255 C ASN A 18 -2.718 -5.828 1.981 1.00 0.00 C ATOM 256 O ASN A 18 -3.580 -6.676 2.095 1.00 0.00 O ATOM 257 CB ASN A 18 -1.894 -5.026 4.196 1.00 0.00 C ATOM 258 CG ASN A 18 -1.482 -5.855 5.414 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.663 -6.746 5.309 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.020 -5.598 6.575 1.00 0.00 N ATOM 0 H ASN A 18 0.010 -4.292 2.750 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.197 -6.784 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.401 -4.054 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.968 -4.839 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.753 -6.145 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.708 -4.850 6.664 1.00 0.00 H new ATOM 267 N TYR A 19 -2.769 -4.919 1.049 1.00 0.00 N ATOM 268 CA TYR A 19 -3.897 -4.886 0.081 1.00 0.00 C ATOM 269 C TYR A 19 -3.902 -6.169 -0.751 1.00 0.00 C ATOM 270 O TYR A 19 -3.581 -6.159 -1.923 1.00 0.00 O ATOM 271 CB TYR A 19 -3.712 -3.692 -0.856 1.00 0.00 C ATOM 272 CG TYR A 19 -3.694 -2.398 -0.068 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.912 -2.404 1.317 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.459 -1.185 -0.732 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.895 -1.202 2.036 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.443 0.017 -0.013 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.660 0.008 1.371 1.00 0.00 C ATOM 278 OH TYR A 19 -3.644 1.192 2.079 1.00 0.00 O ATOM 0 H TYR A 19 -2.069 -4.190 0.916 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.838 -4.800 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.781 -3.799 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.519 -3.668 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.093 -3.337 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.290 -1.178 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.063 -1.208 3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.263 0.951 -0.525 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.466 1.937 1.467 1.00 0.00 H new ATOM 288 N CYS A 20 -4.266 -7.273 -0.165 1.00 0.00 N ATOM 289 CA CYS A 20 -4.291 -8.546 -0.938 1.00 0.00 C ATOM 290 C CYS A 20 -5.604 -9.279 -0.690 1.00 0.00 C ATOM 291 O CYS A 20 -6.580 -8.709 -0.244 1.00 0.00 O ATOM 292 CB CYS A 20 -3.125 -9.438 -0.511 1.00 0.00 C ATOM 293 SG CYS A 20 -2.294 -10.092 -1.981 1.00 0.00 S ATOM 0 H CYS A 20 -4.547 -7.350 0.813 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.200 -8.314 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.420 -8.868 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.488 -10.257 0.109 1.00 0.00 H new ATOM 298 N ASN A 21 -5.627 -10.543 -0.986 1.00 0.00 N ATOM 299 CA ASN A 21 -6.871 -11.340 -0.784 1.00 0.00 C ATOM 300 C ASN A 21 -6.512 -12.701 -0.183 1.00 0.00 C ATOM 301 O ASN A 21 -6.394 -13.651 -0.941 1.00 0.00 O ATOM 302 CB ASN A 21 -7.564 -11.543 -2.135 1.00 0.00 C ATOM 303 CG ASN A 21 -9.049 -11.841 -1.915 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.413 -12.494 -0.957 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.926 -11.387 -2.768 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.364 -12.772 1.026 1.00 0.00 O ATOM 0 H ASN A 21 -4.835 -11.065 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.540 -10.811 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.450 -10.651 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.095 -12.365 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.918 -11.580 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.619 -10.839 -3.572 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 6.563 1.244 -6.627 1.00 0.00 N ATOM 315 CA PHE B 1 5.921 2.013 -5.520 1.00 0.00 C ATOM 316 C PHE B 1 6.803 3.207 -5.148 1.00 0.00 C ATOM 317 O PHE B 1 7.443 3.221 -4.116 1.00 0.00 O ATOM 318 CB PHE B 1 5.734 1.112 -4.291 1.00 0.00 C ATOM 319 CG PHE B 1 6.676 -0.069 -4.360 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.018 0.081 -3.984 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.207 -1.314 -4.801 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.890 -1.014 -4.049 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.080 -2.408 -4.867 1.00 0.00 C ATOM 324 CZ PHE B 1 8.422 -2.259 -4.490 1.00 0.00 C ATOM 0 H1 PHE B 1 5.960 1.285 -7.473 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.492 1.657 -6.843 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.684 0.253 -6.336 1.00 0.00 H new ATOM 0 HA PHE B 1 4.946 2.368 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.921 1.683 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.703 0.762 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.380 1.040 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.173 -1.430 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.924 -0.898 -3.759 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.719 -3.367 -5.209 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.094 -3.103 -4.539 1.00 0.00 H new ATOM 336 N VAL B 2 6.839 4.211 -5.982 1.00 0.00 N ATOM 337 CA VAL B 2 7.678 5.406 -5.679 1.00 0.00 C ATOM 338 C VAL B 2 6.927 6.322 -4.704 1.00 0.00 C ATOM 339 O VAL B 2 5.837 6.013 -4.266 1.00 0.00 O ATOM 340 CB VAL B 2 7.978 6.154 -6.985 1.00 0.00 C ATOM 341 CG1 VAL B 2 6.772 7.008 -7.387 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.198 7.057 -6.790 1.00 0.00 C ATOM 0 H VAL B 2 6.323 4.255 -6.861 1.00 0.00 H new ATOM 0 HA VAL B 2 8.617 5.096 -5.220 1.00 0.00 H new ATOM 0 HB VAL B 2 8.182 5.428 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.993 7.536 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.904 6.366 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.560 7.731 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.410 7.588 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.994 7.778 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.060 6.449 -6.514 1.00 0.00 H new ATOM 352 N ASN B 3 7.501 7.444 -4.358 1.00 0.00 N ATOM 353 CA ASN B 3 6.812 8.367 -3.410 1.00 0.00 C ATOM 354 C ASN B 3 6.153 9.506 -4.189 1.00 0.00 C ATOM 355 O ASN B 3 6.651 10.613 -4.233 1.00 0.00 O ATOM 356 CB ASN B 3 7.810 8.961 -2.404 1.00 0.00 C ATOM 357 CG ASN B 3 9.198 8.339 -2.593 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.757 8.389 -3.671 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.778 7.752 -1.582 1.00 0.00 N ATOM 0 H ASN B 3 8.413 7.760 -4.689 1.00 0.00 H new ATOM 0 HA ASN B 3 6.057 7.798 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.868 10.041 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.460 8.782 -1.387 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.702 7.334 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.308 7.711 -0.678 1.00 0.00 H new ATOM 366 N GLN B 4 5.029 9.246 -4.794 1.00 0.00 N ATOM 367 CA GLN B 4 4.327 10.313 -5.559 1.00 0.00 C ATOM 368 C GLN B 4 2.864 9.914 -5.740 1.00 0.00 C ATOM 369 O GLN B 4 2.419 9.640 -6.836 1.00 0.00 O ATOM 370 CB GLN B 4 4.987 10.481 -6.929 1.00 0.00 C ATOM 371 CG GLN B 4 5.571 11.890 -7.042 1.00 0.00 C ATOM 372 CD GLN B 4 7.096 11.817 -6.966 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.695 12.315 -6.033 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.756 11.209 -7.914 1.00 0.00 N ATOM 0 H GLN B 4 4.565 8.338 -4.792 1.00 0.00 H new ATOM 0 HA GLN B 4 4.387 11.256 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.774 9.738 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.256 10.314 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.265 12.348 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.186 12.520 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.254 10.791 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.774 11.152 -7.871 1.00 0.00 H new ATOM 383 N HIS B 5 2.110 9.868 -4.673 1.00 0.00 N ATOM 384 CA HIS B 5 0.681 9.474 -4.798 1.00 0.00 C ATOM 385 C HIS B 5 0.595 8.115 -5.499 1.00 0.00 C ATOM 386 O HIS B 5 1.564 7.624 -6.044 1.00 0.00 O ATOM 387 CB HIS B 5 -0.068 10.519 -5.626 1.00 0.00 C ATOM 388 CG HIS B 5 0.052 11.867 -4.971 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.219 12.600 -5.033 1.00 0.00 N ATOM 390 CD2 HIS B 5 -0.855 12.602 -4.260 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.990 13.743 -4.368 1.00 0.00 C ATOM 392 NE2 HIS B 5 -0.266 13.789 -3.878 1.00 0.00 N ATOM 0 H HIS B 5 2.422 10.085 -3.727 1.00 0.00 H new ATOM 0 HA HIS B 5 0.232 9.408 -3.807 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.340 10.557 -6.636 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.118 10.240 -5.717 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.868 12.302 -4.034 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.720 14.528 -4.241 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -0.691 14.543 -3.338 1.00 0.00 H new ATOM 400 N LEU B 6 -0.558 7.503 -5.493 1.00 0.00 N ATOM 401 CA LEU B 6 -0.694 6.174 -6.169 1.00 0.00 C ATOM 402 C LEU B 6 -2.136 5.965 -6.631 1.00 0.00 C ATOM 403 O LEU B 6 -2.404 5.356 -7.647 1.00 0.00 O ATOM 404 CB LEU B 6 -0.269 5.011 -5.233 1.00 0.00 C ATOM 405 CG LEU B 6 -0.753 5.165 -3.795 1.00 0.00 C ATOM 406 CD1 LEU B 6 -0.224 6.467 -3.192 1.00 0.00 C ATOM 407 CD2 LEU B 6 -2.282 5.110 -3.761 1.00 0.00 C ATOM 0 H LEU B 6 -1.407 7.859 -5.054 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.029 6.172 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.653 4.074 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.818 4.936 -5.234 1.00 0.00 H new ATOM 0 HG LEU B 6 -0.367 4.344 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -0.578 6.563 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.866 6.455 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.582 7.312 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -2.627 5.220 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.689 5.918 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -2.621 4.152 -4.157 1.00 0.00 H new ATOM 419 N CYS B 7 -3.058 6.461 -5.884 1.00 0.00 N ATOM 420 CA CYS B 7 -4.491 6.305 -6.235 1.00 0.00 C ATOM 421 C CYS B 7 -4.784 4.846 -6.580 1.00 0.00 C ATOM 422 O CYS B 7 -3.920 3.993 -6.523 1.00 0.00 O ATOM 423 CB CYS B 7 -4.826 7.208 -7.417 1.00 0.00 C ATOM 424 SG CYS B 7 -4.693 8.933 -6.886 1.00 0.00 S ATOM 0 H CYS B 7 -2.883 6.981 -5.024 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.108 6.592 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.145 7.014 -8.245 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.833 7.000 -7.777 1.00 0.00 H new ATOM 429 N GLY B 8 -6.006 4.549 -6.915 1.00 0.00 N ATOM 430 CA GLY B 8 -6.376 3.146 -7.240 1.00 0.00 C ATOM 431 C GLY B 8 -5.379 2.531 -8.227 1.00 0.00 C ATOM 432 O GLY B 8 -4.631 1.637 -7.886 1.00 0.00 O ATOM 0 H GLY B 8 -6.770 5.222 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.402 2.552 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.379 3.120 -7.666 1.00 0.00 H new ATOM 436 N SER B 9 -5.382 2.986 -9.452 1.00 0.00 N ATOM 437 CA SER B 9 -4.461 2.415 -10.479 1.00 0.00 C ATOM 438 C SER B 9 -3.090 2.102 -9.875 1.00 0.00 C ATOM 439 O SER B 9 -2.754 0.955 -9.657 1.00 0.00 O ATOM 440 CB SER B 9 -4.291 3.408 -11.625 1.00 0.00 C ATOM 441 OG SER B 9 -4.354 4.733 -11.116 1.00 0.00 O ATOM 0 H SER B 9 -5.988 3.735 -9.788 1.00 0.00 H new ATOM 0 HA SER B 9 -4.898 1.488 -10.850 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.336 3.244 -12.124 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.071 3.256 -12.371 1.00 0.00 H new ATOM 0 HG SER B 9 -4.243 5.371 -11.851 1.00 0.00 H new ATOM 447 N ASP B 10 -2.289 3.105 -9.622 1.00 0.00 N ATOM 448 CA ASP B 10 -0.933 2.842 -9.051 1.00 0.00 C ATOM 449 C ASP B 10 -1.043 1.777 -7.968 1.00 0.00 C ATOM 450 O ASP B 10 -0.308 0.810 -7.957 1.00 0.00 O ATOM 451 CB ASP B 10 -0.348 4.129 -8.470 1.00 0.00 C ATOM 452 CG ASP B 10 1.169 4.140 -8.669 1.00 0.00 C ATOM 453 OD1 ASP B 10 1.856 3.503 -7.888 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.620 4.788 -9.601 1.00 0.00 O ATOM 0 H ASP B 10 -2.512 4.087 -9.784 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.269 2.488 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.795 4.996 -8.957 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.586 4.202 -7.409 1.00 0.00 H new ATOM 459 N LEU B 11 -1.977 1.918 -7.080 1.00 0.00 N ATOM 460 CA LEU B 11 -2.146 0.873 -6.036 1.00 0.00 C ATOM 461 C LEU B 11 -2.231 -0.459 -6.769 1.00 0.00 C ATOM 462 O LEU B 11 -1.245 -1.151 -6.929 1.00 0.00 O ATOM 463 CB LEU B 11 -3.446 1.137 -5.242 1.00 0.00 C ATOM 464 CG LEU B 11 -3.158 1.679 -3.820 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.782 2.331 -3.744 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.202 2.737 -3.453 1.00 0.00 C ATOM 0 H LEU B 11 -2.627 2.702 -7.028 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.318 0.874 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -4.063 1.853 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.020 0.213 -5.168 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.196 0.836 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.610 2.701 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.017 1.597 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.734 3.162 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.998 3.117 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.156 3.557 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.196 2.291 -3.476 1.00 0.00 H new ATOM 478 N VAL B 12 -3.403 -0.809 -7.221 1.00 0.00 N ATOM 479 CA VAL B 12 -3.596 -2.091 -7.982 1.00 0.00 C ATOM 480 C VAL B 12 -2.347 -2.372 -8.821 1.00 0.00 C ATOM 481 O VAL B 12 -1.976 -3.509 -9.035 1.00 0.00 O ATOM 482 CB VAL B 12 -4.855 -2.006 -8.896 1.00 0.00 C ATOM 483 CG1 VAL B 12 -5.402 -0.582 -8.931 1.00 0.00 C ATOM 484 CG2 VAL B 12 -4.527 -2.421 -10.339 1.00 0.00 C ATOM 0 H VAL B 12 -4.252 -0.258 -7.097 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.749 -2.906 -7.274 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.596 -2.686 -8.477 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.281 -0.546 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.678 -0.273 -7.923 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.639 0.092 -9.320 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.426 -2.351 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.761 -1.759 -10.743 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.161 -3.448 -10.348 1.00 0.00 H new ATOM 494 N GLU B 13 -1.688 -1.348 -9.283 1.00 0.00 N ATOM 495 CA GLU B 13 -0.457 -1.578 -10.084 1.00 0.00 C ATOM 496 C GLU B 13 0.597 -2.136 -9.141 1.00 0.00 C ATOM 497 O GLU B 13 1.126 -3.211 -9.345 1.00 0.00 O ATOM 498 CB GLU B 13 0.031 -0.267 -10.708 1.00 0.00 C ATOM 499 CG GLU B 13 -1.025 0.260 -11.679 1.00 0.00 C ATOM 500 CD GLU B 13 -0.373 0.549 -13.032 1.00 0.00 C ATOM 501 OE1 GLU B 13 0.371 1.513 -13.115 1.00 0.00 O ATOM 502 OE2 GLU B 13 -0.628 -0.199 -13.962 1.00 0.00 O ATOM 0 H GLU B 13 -1.945 -0.371 -9.142 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.656 -2.275 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.223 0.470 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.973 -0.430 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.824 -0.472 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.480 1.167 -11.281 1.00 0.00 H new ATOM 509 N ALA B 14 0.869 -1.435 -8.079 1.00 0.00 N ATOM 510 CA ALA B 14 1.845 -1.955 -7.095 1.00 0.00 C ATOM 511 C ALA B 14 1.269 -3.250 -6.543 1.00 0.00 C ATOM 512 O ALA B 14 1.924 -4.272 -6.487 1.00 0.00 O ATOM 513 CB ALA B 14 2.026 -0.943 -5.962 1.00 0.00 C ATOM 0 H ALA B 14 0.458 -0.529 -7.853 1.00 0.00 H new ATOM 0 HA ALA B 14 2.817 -2.125 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.745 -1.330 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.393 -0.001 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.069 -0.776 -5.467 1.00 0.00 H new ATOM 519 N LEU B 15 0.024 -3.207 -6.161 1.00 0.00 N ATOM 520 CA LEU B 15 -0.646 -4.428 -5.628 1.00 0.00 C ATOM 521 C LEU B 15 -0.326 -5.605 -6.548 1.00 0.00 C ATOM 522 O LEU B 15 -0.059 -6.704 -6.108 1.00 0.00 O ATOM 523 CB LEU B 15 -2.177 -4.248 -5.606 1.00 0.00 C ATOM 524 CG LEU B 15 -2.635 -2.927 -4.951 1.00 0.00 C ATOM 525 CD1 LEU B 15 -3.766 -3.217 -3.971 1.00 0.00 C ATOM 526 CD2 LEU B 15 -1.508 -2.213 -4.197 1.00 0.00 C ATOM 0 H LEU B 15 -0.563 -2.374 -6.195 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.287 -4.605 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.554 -4.287 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.625 -5.084 -5.069 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.964 -2.270 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.092 -2.287 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.602 -3.669 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.413 -3.903 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.891 -1.291 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.131 -2.862 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.700 -1.977 -4.889 1.00 0.00 H new ATOM 538 N TYR B 16 -0.377 -5.376 -7.829 1.00 0.00 N ATOM 539 CA TYR B 16 -0.109 -6.471 -8.808 1.00 0.00 C ATOM 540 C TYR B 16 1.343 -6.941 -8.714 1.00 0.00 C ATOM 541 O TYR B 16 1.654 -8.079 -9.006 1.00 0.00 O ATOM 542 CB TYR B 16 -0.386 -5.959 -10.222 1.00 0.00 C ATOM 543 CG TYR B 16 -1.803 -6.303 -10.614 1.00 0.00 C ATOM 544 CD1 TYR B 16 -2.307 -7.585 -10.360 1.00 0.00 C ATOM 545 CD2 TYR B 16 -2.612 -5.341 -11.234 1.00 0.00 C ATOM 546 CE1 TYR B 16 -3.621 -7.906 -10.725 1.00 0.00 C ATOM 547 CE2 TYR B 16 -3.925 -5.663 -11.600 1.00 0.00 C ATOM 548 CZ TYR B 16 -4.430 -6.945 -11.346 1.00 0.00 C ATOM 549 OH TYR B 16 -5.723 -7.262 -11.708 1.00 0.00 O ATOM 0 H TYR B 16 -0.594 -4.471 -8.246 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.761 -7.314 -8.578 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.237 -4.880 -10.265 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.316 -6.406 -10.926 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.683 -8.326 -9.883 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.223 -4.352 -11.429 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.010 -8.894 -10.528 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.549 -4.922 -12.078 1.00 0.00 H new ATOM 0 HH TYR B 16 -6.146 -6.483 -12.126 1.00 0.00 H new ATOM 559 N LEU B 17 2.234 -6.084 -8.318 1.00 0.00 N ATOM 560 CA LEU B 17 3.662 -6.498 -8.218 1.00 0.00 C ATOM 561 C LEU B 17 3.995 -6.860 -6.776 1.00 0.00 C ATOM 562 O LEU B 17 4.947 -7.564 -6.504 1.00 0.00 O ATOM 563 CB LEU B 17 4.563 -5.346 -8.657 1.00 0.00 C ATOM 564 CG LEU B 17 4.180 -4.907 -10.066 1.00 0.00 C ATOM 565 CD1 LEU B 17 4.652 -3.473 -10.289 1.00 0.00 C ATOM 566 CD2 LEU B 17 4.848 -5.835 -11.081 1.00 0.00 C ATOM 0 H LEU B 17 2.040 -5.117 -8.059 1.00 0.00 H new ATOM 0 HA LEU B 17 3.825 -7.362 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.464 -4.510 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.607 -5.658 -8.633 1.00 0.00 H new ATOM 0 HG LEU B 17 3.098 -4.956 -10.190 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.381 -3.153 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.178 -2.816 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.735 -3.424 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.577 -5.525 -12.090 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.930 -5.784 -10.964 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.513 -6.859 -10.913 1.00 0.00 H new ATOM 578 N VAL B 18 3.229 -6.373 -5.847 1.00 0.00 N ATOM 579 CA VAL B 18 3.521 -6.680 -4.423 1.00 0.00 C ATOM 580 C VAL B 18 2.745 -7.925 -3.974 1.00 0.00 C ATOM 581 O VAL B 18 3.178 -8.656 -3.106 1.00 0.00 O ATOM 582 CB VAL B 18 3.154 -5.475 -3.543 1.00 0.00 C ATOM 583 CG1 VAL B 18 1.834 -4.868 -3.995 1.00 0.00 C ATOM 584 CG2 VAL B 18 3.006 -5.912 -2.090 1.00 0.00 C ATOM 0 H VAL B 18 2.417 -5.778 -6.009 1.00 0.00 H new ATOM 0 HA VAL B 18 4.587 -6.883 -4.318 1.00 0.00 H new ATOM 0 HB VAL B 18 3.951 -4.737 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.589 -4.016 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.921 -4.537 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.045 -5.616 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.746 -5.050 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.219 -6.662 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.947 -6.336 -1.740 1.00 0.00 H new ATOM 594 N CYS B 19 1.607 -8.176 -4.556 1.00 0.00 N ATOM 595 CA CYS B 19 0.818 -9.377 -4.154 1.00 0.00 C ATOM 596 C CYS B 19 1.238 -10.565 -5.021 1.00 0.00 C ATOM 597 O CYS B 19 0.921 -11.702 -4.731 1.00 0.00 O ATOM 598 CB CYS B 19 -0.677 -9.110 -4.344 1.00 0.00 C ATOM 599 SG CYS B 19 -1.382 -8.484 -2.797 1.00 0.00 S ATOM 0 H CYS B 19 1.188 -7.605 -5.290 1.00 0.00 H new ATOM 0 HA CYS B 19 1.008 -9.599 -3.104 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.829 -8.386 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -1.186 -10.027 -4.643 1.00 0.00 H new ATOM 604 N GLY B 20 1.953 -10.308 -6.082 1.00 0.00 N ATOM 605 CA GLY B 20 2.397 -11.421 -6.968 1.00 0.00 C ATOM 606 C GLY B 20 1.302 -11.731 -7.987 1.00 0.00 C ATOM 607 O GLY B 20 1.303 -12.772 -8.614 1.00 0.00 O ATOM 0 H GLY B 20 2.249 -9.376 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.318 -11.146 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.616 -12.308 -6.373 1.00 0.00 H new ATOM 611 N GLU B 21 0.365 -10.838 -8.158 1.00 0.00 N ATOM 612 CA GLU B 21 -0.731 -11.084 -9.136 1.00 0.00 C ATOM 613 C GLU B 21 -1.493 -12.340 -8.729 1.00 0.00 C ATOM 614 O GLU B 21 -0.930 -13.405 -8.584 1.00 0.00 O ATOM 615 CB GLU B 21 -0.143 -11.265 -10.538 1.00 0.00 C ATOM 616 CG GLU B 21 1.041 -10.314 -10.720 1.00 0.00 C ATOM 617 CD GLU B 21 1.494 -10.331 -12.182 1.00 0.00 C ATOM 618 OE1 GLU B 21 0.664 -10.088 -13.041 1.00 0.00 O ATOM 619 OE2 GLU B 21 2.665 -10.582 -12.415 1.00 0.00 O ATOM 0 H GLU B 21 0.312 -9.948 -7.662 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.411 -10.232 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.180 -12.296 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.904 -11.064 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.756 -9.303 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.864 -10.613 -10.070 1.00 0.00 H new ATOM 626 N ARG B 22 -2.775 -12.210 -8.546 1.00 0.00 N ATOM 627 CA ARG B 22 -3.605 -13.378 -8.138 1.00 0.00 C ATOM 628 C ARG B 22 -5.033 -12.904 -7.865 1.00 0.00 C ATOM 629 O ARG B 22 -5.981 -13.657 -7.974 1.00 0.00 O ATOM 630 CB ARG B 22 -3.025 -14.001 -6.864 1.00 0.00 C ATOM 631 CG ARG B 22 -3.538 -15.434 -6.713 1.00 0.00 C ATOM 632 CD ARG B 22 -2.680 -16.375 -7.562 1.00 0.00 C ATOM 633 NE ARG B 22 -3.524 -17.001 -8.619 1.00 0.00 N ATOM 634 CZ ARG B 22 -4.648 -17.581 -8.299 1.00 0.00 C ATOM 635 NH1 ARG B 22 -4.639 -18.698 -7.624 1.00 0.00 N ATOM 636 NH2 ARG B 22 -5.784 -17.044 -8.655 1.00 0.00 N ATOM 0 H ARG B 22 -3.289 -11.337 -8.662 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.607 -14.122 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.936 -13.997 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.311 -13.408 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.502 -15.736 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.580 -15.493 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.858 -15.823 -8.018 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.236 -17.146 -6.933 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.223 -16.976 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.752 -19.119 -7.346 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.519 -19.150 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.792 -16.171 -9.183 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -6.663 -17.497 -8.405 1.00 0.00 H new ATOM 650 N GLY B 23 -5.193 -11.659 -7.511 1.00 0.00 N ATOM 651 CA GLY B 23 -6.562 -11.135 -7.232 1.00 0.00 C ATOM 652 C GLY B 23 -6.577 -10.416 -5.882 1.00 0.00 C ATOM 653 O GLY B 23 -7.430 -10.656 -5.050 1.00 0.00 O ATOM 0 H GLY B 23 -4.438 -10.982 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.867 -10.450 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -7.281 -11.955 -7.226 1.00 0.00 H new ATOM 657 N PHE B 24 -5.643 -9.533 -5.658 1.00 0.00 N ATOM 658 CA PHE B 24 -5.609 -8.800 -4.361 1.00 0.00 C ATOM 659 C PHE B 24 -6.965 -8.133 -4.114 1.00 0.00 C ATOM 660 O PHE B 24 -7.917 -8.353 -4.837 1.00 0.00 O ATOM 661 CB PHE B 24 -4.512 -7.733 -4.404 1.00 0.00 C ATOM 662 CG PHE B 24 -4.676 -6.875 -5.638 1.00 0.00 C ATOM 663 CD1 PHE B 24 -5.748 -5.978 -5.732 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.751 -6.972 -6.687 1.00 0.00 C ATOM 665 CE1 PHE B 24 -5.896 -5.178 -6.873 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.897 -6.169 -7.828 1.00 0.00 C ATOM 667 CZ PHE B 24 -4.970 -5.272 -7.920 1.00 0.00 C ATOM 0 H PHE B 24 -4.903 -9.288 -6.316 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.399 -9.502 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.562 -7.112 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.531 -8.208 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.461 -5.903 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.926 -7.665 -6.617 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.724 -4.489 -6.945 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.183 -6.242 -8.635 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.083 -4.653 -8.798 1.00 0.00 H new ATOM 677 N PHE B 25 -7.061 -7.322 -3.097 1.00 0.00 N ATOM 678 CA PHE B 25 -8.352 -6.641 -2.801 1.00 0.00 C ATOM 679 C PHE B 25 -8.079 -5.348 -2.026 1.00 0.00 C ATOM 680 O PHE B 25 -7.924 -5.358 -0.821 1.00 0.00 O ATOM 681 CB PHE B 25 -9.232 -7.565 -1.954 1.00 0.00 C ATOM 682 CG PHE B 25 -10.521 -6.855 -1.612 1.00 0.00 C ATOM 683 CD1 PHE B 25 -11.212 -6.143 -2.602 1.00 0.00 C ATOM 684 CD2 PHE B 25 -11.025 -6.907 -0.306 1.00 0.00 C ATOM 685 CE1 PHE B 25 -12.407 -5.484 -2.284 1.00 0.00 C ATOM 686 CE2 PHE B 25 -12.220 -6.248 0.012 1.00 0.00 C ATOM 687 CZ PHE B 25 -12.911 -5.536 -0.978 1.00 0.00 C ATOM 0 H PHE B 25 -6.299 -7.101 -2.457 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.863 -6.406 -3.735 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.444 -8.484 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.707 -7.850 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.824 -6.102 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.492 -7.456 0.457 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.940 -4.935 -3.047 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.608 -6.289 1.019 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.832 -5.027 -0.734 1.00 0.00 H new ATOM 697 N TYR B 26 -8.017 -4.236 -2.705 1.00 0.00 N ATOM 698 CA TYR B 26 -7.752 -2.950 -2.000 1.00 0.00 C ATOM 699 C TYR B 26 -8.909 -1.977 -2.251 1.00 0.00 C ATOM 700 O TYR B 26 -9.302 -1.742 -3.377 1.00 0.00 O ATOM 701 CB TYR B 26 -6.427 -2.354 -2.506 1.00 0.00 C ATOM 702 CG TYR B 26 -6.656 -1.517 -3.744 1.00 0.00 C ATOM 703 CD1 TYR B 26 -6.723 -2.135 -4.998 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.810 -0.127 -3.636 1.00 0.00 C ATOM 705 CE1 TYR B 26 -6.947 -1.367 -6.147 1.00 0.00 C ATOM 706 CE2 TYR B 26 -7.031 0.641 -4.786 1.00 0.00 C ATOM 707 CZ TYR B 26 -7.102 0.022 -6.040 1.00 0.00 C ATOM 708 OH TYR B 26 -7.330 0.777 -7.171 1.00 0.00 O ATOM 0 H TYR B 26 -8.138 -4.162 -3.715 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.673 -3.127 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.976 -1.742 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.723 -3.156 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.602 -3.205 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.758 0.350 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.000 -1.844 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.147 1.712 -4.706 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.250 1.114 -7.160 1.00 0.00 H new ATOM 718 N THR B 27 -9.458 -1.412 -1.212 1.00 0.00 N ATOM 719 CA THR B 27 -10.588 -0.458 -1.392 1.00 0.00 C ATOM 720 C THR B 27 -10.035 0.920 -1.764 1.00 0.00 C ATOM 721 O THR B 27 -8.842 1.106 -1.898 1.00 0.00 O ATOM 722 CB THR B 27 -11.386 -0.356 -0.090 1.00 0.00 C ATOM 723 OG1 THR B 27 -12.185 0.820 -0.118 1.00 0.00 O ATOM 724 CG2 THR B 27 -10.425 -0.301 1.100 1.00 0.00 C ATOM 0 H THR B 27 -9.173 -1.570 -0.245 1.00 0.00 H new ATOM 0 HA THR B 27 -11.242 -0.815 -2.188 1.00 0.00 H new ATOM 0 HB THR B 27 -12.030 -1.229 0.012 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.698 0.887 0.714 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.996 -0.228 2.026 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.817 -1.205 1.119 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.777 0.570 1.004 1.00 0.00 H new ATOM 732 N ASP B 28 -10.895 1.886 -1.936 1.00 0.00 N ATOM 733 CA ASP B 28 -10.421 3.251 -2.303 1.00 0.00 C ATOM 734 C ASP B 28 -11.367 4.295 -1.707 1.00 0.00 C ATOM 735 O ASP B 28 -10.947 5.213 -1.031 1.00 0.00 O ATOM 736 CB ASP B 28 -10.402 3.398 -3.828 1.00 0.00 C ATOM 737 CG ASP B 28 -11.469 2.494 -4.450 1.00 0.00 C ATOM 738 OD1 ASP B 28 -11.221 1.305 -4.556 1.00 0.00 O ATOM 739 OD2 ASP B 28 -12.515 3.009 -4.811 1.00 0.00 O ATOM 0 H ASP B 28 -11.906 1.789 -1.838 1.00 0.00 H new ATOM 0 HA ASP B 28 -9.415 3.400 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.586 4.436 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.418 3.134 -4.216 1.00 0.00 H new ATOM 744 N LYS B 29 -12.641 4.163 -1.956 1.00 0.00 N ATOM 745 CA LYS B 29 -13.612 5.149 -1.409 1.00 0.00 C ATOM 746 C LYS B 29 -14.906 4.429 -1.020 1.00 0.00 C ATOM 747 O LYS B 29 -15.823 5.099 -0.577 1.00 0.00 O ATOM 748 CB LYS B 29 -13.917 6.204 -2.474 1.00 0.00 C ATOM 749 CG LYS B 29 -14.319 5.509 -3.777 1.00 0.00 C ATOM 750 CD LYS B 29 -15.593 6.152 -4.326 1.00 0.00 C ATOM 751 CE LYS B 29 -16.154 5.288 -5.457 1.00 0.00 C ATOM 752 NZ LYS B 29 -17.279 6.007 -6.117 1.00 0.00 N ATOM 753 OXT LYS B 29 -14.956 3.220 -1.172 1.00 0.00 O ATOM 0 H LYS B 29 -13.050 3.414 -2.515 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.186 5.631 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.721 6.858 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.043 6.833 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.514 5.590 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.483 4.446 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.332 6.255 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.378 7.155 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.372 5.068 -6.184 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.500 4.333 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.662 5.421 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.027 6.195 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.934 6.908 -6.506 1.00 0.00 H new TER 767 LYS B 29