USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 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 Set 1.1: B 3 ASN :FLIP amide:sc= -1.01 X(o=-9.5,f=-9.2) USER MOD Set 1.2: B 5 HIS :FLIP no HE2:sc= -8.16! C(o=-12!,f=-9.2!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0625 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 9 SER OG : rot 180:sc= -0.868 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 15 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.63) USER MOD Single : A 18 ASN : amide:sc= -0.665 X(o=-0.66,f=-0.59) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.9!) USER MOD Single : B 1 PHE N :NH3+ -116:sc= 0.715 (180deg=0.544) USER MOD Single : B 4 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0.034) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0167 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 61:sc= 0.293 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0996 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.492 3.926 -10.667 1.00 0.00 N ATOM 2 CA GLY A 1 1.474 4.603 -9.339 1.00 0.00 C ATOM 3 C GLY A 1 2.824 4.406 -8.646 1.00 0.00 C ATOM 4 O GLY A 1 3.833 4.183 -9.284 1.00 0.00 O ATOM 0 H1 GLY A 1 1.208 4.601 -11.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.452 3.579 -10.867 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.829 3.125 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.269 5.666 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.674 4.195 -8.722 1.00 0.00 H new ATOM 10 N ILE A 2 2.850 4.486 -7.344 1.00 0.00 N ATOM 11 CA ILE A 2 4.135 4.302 -6.611 1.00 0.00 C ATOM 12 C ILE A 2 4.553 2.833 -6.677 1.00 0.00 C ATOM 13 O ILE A 2 5.724 2.510 -6.670 1.00 0.00 O ATOM 14 CB ILE A 2 3.956 4.717 -5.149 1.00 0.00 C ATOM 15 CG1 ILE A 2 2.610 4.203 -4.633 1.00 0.00 C ATOM 16 CG2 ILE A 2 3.994 6.243 -5.042 1.00 0.00 C ATOM 17 CD1 ILE A 2 2.716 3.905 -3.136 1.00 0.00 C ATOM 0 H ILE A 2 2.037 4.671 -6.756 1.00 0.00 H new ATOM 0 HA ILE A 2 4.906 4.921 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 2 4.761 4.291 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.832 4.946 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.321 3.302 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.866 6.538 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.953 6.610 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.190 6.670 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.757 3.539 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.482 3.147 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.985 4.816 -2.602 1.00 0.00 H new ATOM 29 N VAL A 3 3.606 1.939 -6.738 1.00 0.00 N ATOM 30 CA VAL A 3 3.941 0.497 -6.802 1.00 0.00 C ATOM 31 C VAL A 3 4.750 0.214 -8.067 1.00 0.00 C ATOM 32 O VAL A 3 5.779 -0.432 -8.028 1.00 0.00 O ATOM 33 CB VAL A 3 2.644 -0.310 -6.831 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.924 -1.719 -6.338 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.606 0.345 -5.916 1.00 0.00 C ATOM 0 H VAL A 3 2.608 2.151 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 3 4.532 0.215 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 3 2.259 -0.341 -7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.002 -2.301 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.664 -2.191 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.307 -1.678 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.683 -0.234 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.988 0.376 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.407 1.360 -6.260 1.00 0.00 H new ATOM 45 N GLU A 4 4.294 0.694 -9.186 1.00 0.00 N ATOM 46 CA GLU A 4 5.033 0.456 -10.457 1.00 0.00 C ATOM 47 C GLU A 4 6.349 1.235 -10.433 1.00 0.00 C ATOM 48 O GLU A 4 7.362 0.778 -10.924 1.00 0.00 O ATOM 49 CB GLU A 4 4.182 0.928 -11.638 1.00 0.00 C ATOM 50 CG GLU A 4 4.340 -0.049 -12.805 1.00 0.00 C ATOM 51 CD GLU A 4 5.348 0.513 -13.809 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.533 0.449 -13.527 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.917 0.998 -14.842 1.00 0.00 O ATOM 0 H GLU A 4 3.439 1.243 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 4 5.242 -0.609 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.135 0.992 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.488 1.928 -11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.678 -1.018 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.378 -0.210 -13.291 1.00 0.00 H new ATOM 60 N GLN A 5 6.338 2.410 -9.870 1.00 0.00 N ATOM 61 CA GLN A 5 7.584 3.226 -9.817 1.00 0.00 C ATOM 62 C GLN A 5 8.491 2.720 -8.692 1.00 0.00 C ATOM 63 O GLN A 5 9.700 2.814 -8.769 1.00 0.00 O ATOM 64 CB GLN A 5 7.220 4.689 -9.558 1.00 0.00 C ATOM 65 CG GLN A 5 7.971 5.584 -10.545 1.00 0.00 C ATOM 66 CD GLN A 5 6.973 6.241 -11.501 1.00 0.00 C ATOM 67 OE1 GLN A 5 6.794 5.789 -12.615 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.312 7.296 -11.110 1.00 0.00 N ATOM 0 H GLN A 5 5.519 2.842 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 5 8.111 3.140 -10.767 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.145 4.832 -9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.476 4.963 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.531 6.348 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.696 4.995 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.463 7.675 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.645 7.742 -11.739 1.00 0.00 H new ATOM 77 N CYS A 6 7.921 2.187 -7.647 1.00 0.00 N ATOM 78 CA CYS A 6 8.759 1.682 -6.521 1.00 0.00 C ATOM 79 C CYS A 6 8.756 0.152 -6.519 1.00 0.00 C ATOM 80 O CYS A 6 9.256 -0.476 -5.607 1.00 0.00 O ATOM 81 CB CYS A 6 8.195 2.191 -5.193 1.00 0.00 C ATOM 82 SG CYS A 6 9.251 1.623 -3.836 1.00 0.00 S ATOM 0 H CYS A 6 6.914 2.079 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 6 9.780 2.042 -6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.146 3.280 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.177 1.827 -5.054 1.00 0.00 H new ATOM 87 N CYS A 7 8.196 -0.453 -7.530 1.00 0.00 N ATOM 88 CA CYS A 7 8.163 -1.942 -7.581 1.00 0.00 C ATOM 89 C CYS A 7 9.528 -2.498 -7.168 1.00 0.00 C ATOM 90 O CYS A 7 9.633 -3.596 -6.658 1.00 0.00 O ATOM 91 CB CYS A 7 7.839 -2.398 -9.005 1.00 0.00 C ATOM 92 SG CYS A 7 8.055 -4.191 -9.127 1.00 0.00 S ATOM 0 H CYS A 7 7.760 0.019 -8.322 1.00 0.00 H new ATOM 0 HA CYS A 7 7.398 -2.310 -6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.815 -2.126 -9.262 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.491 -1.893 -9.717 1.00 0.00 H new ATOM 97 N THR A 8 10.576 -1.750 -7.386 1.00 0.00 N ATOM 98 CA THR A 8 11.932 -2.240 -7.007 1.00 0.00 C ATOM 99 C THR A 8 11.910 -2.742 -5.562 1.00 0.00 C ATOM 100 O THR A 8 12.328 -3.846 -5.272 1.00 0.00 O ATOM 101 CB THR A 8 12.942 -1.097 -7.134 1.00 0.00 C ATOM 102 OG1 THR A 8 12.806 -0.487 -8.410 1.00 0.00 O ATOM 103 CG2 THR A 8 14.360 -1.648 -6.977 1.00 0.00 C ATOM 0 H THR A 8 10.552 -0.822 -7.809 1.00 0.00 H new ATOM 0 HA THR A 8 12.220 -3.056 -7.670 1.00 0.00 H new ATOM 0 HB THR A 8 12.755 -0.357 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.451 0.246 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.079 -0.834 -7.068 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.462 -2.115 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.551 -2.388 -7.754 1.00 0.00 H new ATOM 111 N SER A 9 11.431 -1.939 -4.651 1.00 0.00 N ATOM 112 CA SER A 9 11.388 -2.372 -3.226 1.00 0.00 C ATOM 113 C SER A 9 10.350 -1.538 -2.468 1.00 0.00 C ATOM 114 O SER A 9 9.298 -1.224 -2.988 1.00 0.00 O ATOM 115 CB SER A 9 12.768 -2.176 -2.599 1.00 0.00 C ATOM 116 OG SER A 9 13.765 -2.316 -3.603 1.00 0.00 O ATOM 0 H SER A 9 11.068 -1.003 -4.832 1.00 0.00 H new ATOM 0 HA SER A 9 11.110 -3.424 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.834 -1.190 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.928 -2.908 -1.807 1.00 0.00 H new ATOM 0 HG SER A 9 14.651 -2.190 -3.204 1.00 0.00 H new ATOM 122 N ILE A 10 10.633 -1.176 -1.243 1.00 0.00 N ATOM 123 CA ILE A 10 9.656 -0.365 -0.457 1.00 0.00 C ATOM 124 C ILE A 10 10.178 1.067 -0.343 1.00 0.00 C ATOM 125 O ILE A 10 11.189 1.326 0.279 1.00 0.00 O ATOM 126 CB ILE A 10 9.461 -0.999 0.946 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.293 0.076 2.040 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.674 -1.862 1.301 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.941 0.780 1.895 1.00 0.00 C ATOM 0 H ILE A 10 11.498 -1.407 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 10 8.689 -0.349 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 10 8.556 -1.605 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.366 -0.384 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.099 0.806 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.530 -2.304 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.786 -2.655 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.571 -1.243 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.839 1.535 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.883 1.258 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.138 0.049 1.990 1.00 0.00 H new ATOM 141 N CYS A 11 9.483 2.001 -0.928 1.00 0.00 N ATOM 142 CA CYS A 11 9.925 3.414 -0.834 1.00 0.00 C ATOM 143 C CYS A 11 9.085 4.094 0.241 1.00 0.00 C ATOM 144 O CYS A 11 7.875 4.152 0.142 1.00 0.00 O ATOM 145 CB CYS A 11 9.708 4.116 -2.178 1.00 0.00 C ATOM 146 SG CYS A 11 10.508 3.168 -3.496 1.00 0.00 S ATOM 0 H CYS A 11 8.630 1.845 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 11 10.984 3.465 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.641 4.212 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.118 5.125 -2.143 1.00 0.00 H new ATOM 151 N SER A 12 9.716 4.603 1.264 1.00 0.00 N ATOM 152 CA SER A 12 8.967 5.273 2.359 1.00 0.00 C ATOM 153 C SER A 12 7.641 4.550 2.604 1.00 0.00 C ATOM 154 O SER A 12 6.640 4.864 1.994 1.00 0.00 O ATOM 155 CB SER A 12 8.687 6.725 1.969 1.00 0.00 C ATOM 156 OG SER A 12 9.821 7.522 2.283 1.00 0.00 O ATOM 0 H SER A 12 10.728 4.582 1.387 1.00 0.00 H new ATOM 0 HA SER A 12 9.565 5.244 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.465 6.791 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.810 7.094 2.501 1.00 0.00 H new ATOM 0 HG SER A 12 9.646 8.453 2.033 1.00 0.00 H new ATOM 162 N LEU A 13 7.609 3.598 3.497 1.00 0.00 N ATOM 163 CA LEU A 13 6.320 2.906 3.761 1.00 0.00 C ATOM 164 C LEU A 13 5.312 3.990 4.082 1.00 0.00 C ATOM 165 O LEU A 13 4.141 3.893 3.780 1.00 0.00 O ATOM 166 CB LEU A 13 6.466 1.946 4.948 1.00 0.00 C ATOM 167 CG LEU A 13 6.649 2.742 6.244 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.410 1.822 7.443 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.073 3.297 6.307 1.00 0.00 C ATOM 0 H LEU A 13 8.406 3.275 4.046 1.00 0.00 H new ATOM 0 HA LEU A 13 6.004 2.315 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.584 1.310 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.321 1.288 4.792 1.00 0.00 H new ATOM 0 HG LEU A 13 5.936 3.566 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.540 2.387 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.396 1.424 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.124 0.999 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.202 3.863 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.786 2.473 6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.247 3.951 5.452 1.00 0.00 H new ATOM 181 N TYR A 14 5.790 5.052 4.657 1.00 0.00 N ATOM 182 CA TYR A 14 4.895 6.193 4.968 1.00 0.00 C ATOM 183 C TYR A 14 4.373 6.730 3.640 1.00 0.00 C ATOM 184 O TYR A 14 3.242 7.159 3.526 1.00 0.00 O ATOM 185 CB TYR A 14 5.680 7.284 5.701 1.00 0.00 C ATOM 186 CG TYR A 14 5.975 6.831 7.111 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.924 6.486 7.969 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.299 6.755 7.560 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.197 6.066 9.277 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.572 6.335 8.868 1.00 0.00 C ATOM 191 CZ TYR A 14 6.521 5.991 9.726 1.00 0.00 C ATOM 192 OH TYR A 14 6.789 5.576 11.015 1.00 0.00 O ATOM 0 H TYR A 14 6.766 5.179 4.926 1.00 0.00 H new ATOM 0 HA TYR A 14 4.071 5.878 5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.610 7.495 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.106 8.211 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.903 6.544 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.110 7.020 6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.386 5.800 9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.593 6.277 9.214 1.00 0.00 H new ATOM 0 HH TYR A 14 7.757 5.579 11.165 1.00 0.00 H new ATOM 202 N GLN A 15 5.192 6.676 2.620 1.00 0.00 N ATOM 203 CA GLN A 15 4.745 7.145 1.283 1.00 0.00 C ATOM 204 C GLN A 15 3.714 6.149 0.753 1.00 0.00 C ATOM 205 O GLN A 15 2.713 6.522 0.174 1.00 0.00 O ATOM 206 CB GLN A 15 5.941 7.207 0.330 1.00 0.00 C ATOM 207 CG GLN A 15 6.701 8.518 0.547 1.00 0.00 C ATOM 208 CD GLN A 15 5.767 9.700 0.282 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.779 10.674 1.008 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.952 9.656 -0.737 1.00 0.00 N ATOM 0 H GLN A 15 6.150 6.327 2.660 1.00 0.00 H new ATOM 0 HA GLN A 15 4.307 8.140 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.602 6.358 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.600 7.139 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.083 8.564 1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.563 8.566 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.942 8.838 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.326 10.439 -0.923 1.00 0.00 H new ATOM 219 N LEU A 16 3.942 4.878 0.971 1.00 0.00 N ATOM 220 CA LEU A 16 2.967 3.858 0.507 1.00 0.00 C ATOM 221 C LEU A 16 1.716 3.980 1.372 1.00 0.00 C ATOM 222 O LEU A 16 0.605 4.003 0.881 1.00 0.00 O ATOM 223 CB LEU A 16 3.570 2.460 0.661 1.00 0.00 C ATOM 224 CG LEU A 16 3.364 1.670 -0.633 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.698 1.539 -1.369 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.829 0.276 -0.297 1.00 0.00 C ATOM 0 H LEU A 16 4.763 4.508 1.451 1.00 0.00 H new ATOM 0 HA LEU A 16 2.720 4.015 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.633 2.534 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.100 1.940 1.496 1.00 0.00 H new ATOM 0 HG LEU A 16 2.649 2.192 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.551 0.976 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.081 2.531 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.414 1.016 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.681 -0.289 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.545 -0.245 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.878 0.368 0.229 1.00 0.00 H new ATOM 238 N GLU A 17 1.894 4.080 2.663 1.00 0.00 N ATOM 239 CA GLU A 17 0.718 4.224 3.563 1.00 0.00 C ATOM 240 C GLU A 17 -0.008 5.525 3.214 1.00 0.00 C ATOM 241 O GLU A 17 -1.219 5.571 3.128 1.00 0.00 O ATOM 242 CB GLU A 17 1.183 4.278 5.021 1.00 0.00 C ATOM 243 CG GLU A 17 2.190 3.156 5.285 1.00 0.00 C ATOM 244 CD GLU A 17 1.537 2.080 6.155 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.574 2.398 6.832 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.012 0.957 6.130 1.00 0.00 O ATOM 0 H GLU A 17 2.801 4.068 3.130 1.00 0.00 H new ATOM 0 HA GLU A 17 0.049 3.373 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.639 5.245 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.328 4.176 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.524 2.723 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.073 3.555 5.783 1.00 0.00 H new ATOM 253 N ASN A 18 0.727 6.582 2.999 1.00 0.00 N ATOM 254 CA ASN A 18 0.086 7.879 2.640 1.00 0.00 C ATOM 255 C ASN A 18 -0.789 7.679 1.401 1.00 0.00 C ATOM 256 O ASN A 18 -1.672 8.464 1.116 1.00 0.00 O ATOM 257 CB ASN A 18 1.169 8.919 2.341 1.00 0.00 C ATOM 258 CG ASN A 18 1.529 9.665 3.627 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.672 10.238 4.271 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.769 9.683 4.031 1.00 0.00 N ATOM 0 H ASN A 18 1.745 6.603 3.057 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.528 8.228 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.053 8.431 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.815 9.622 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.019 10.178 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.488 9.202 3.491 1.00 0.00 H new ATOM 267 N TYR A 19 -0.546 6.629 0.664 1.00 0.00 N ATOM 268 CA TYR A 19 -1.351 6.359 -0.563 1.00 0.00 C ATOM 269 C TYR A 19 -2.849 6.387 -0.239 1.00 0.00 C ATOM 270 O TYR A 19 -3.672 6.469 -1.128 1.00 0.00 O ATOM 271 CB TYR A 19 -0.986 4.979 -1.109 1.00 0.00 C ATOM 272 CG TYR A 19 -1.584 4.808 -2.485 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.945 4.513 -2.626 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.777 4.948 -3.620 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.498 4.358 -3.903 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.330 4.792 -4.896 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.691 4.497 -5.038 1.00 0.00 C ATOM 278 OH TYR A 19 -3.237 4.344 -6.296 1.00 0.00 O ATOM 0 H TYR A 19 0.181 5.941 0.861 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.133 7.129 -1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.097 4.869 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.357 4.202 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.568 4.405 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.273 5.177 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.548 4.131 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.707 4.899 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.540 4.474 -6.973 1.00 0.00 H new ATOM 288 N CYS A 20 -3.202 6.301 1.021 1.00 0.00 N ATOM 289 CA CYS A 20 -4.646 6.309 1.421 1.00 0.00 C ATOM 290 C CYS A 20 -5.469 7.170 0.462 1.00 0.00 C ATOM 291 O CYS A 20 -4.975 8.101 -0.144 1.00 0.00 O ATOM 292 CB CYS A 20 -4.784 6.876 2.834 1.00 0.00 C ATOM 293 SG CYS A 20 -5.551 5.641 3.912 1.00 0.00 S ATOM 0 H CYS A 20 -2.545 6.225 1.798 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.016 5.284 1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.804 7.154 3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.389 7.783 2.815 1.00 0.00 H new ATOM 298 N ASN A 21 -6.727 6.860 0.324 1.00 0.00 N ATOM 299 CA ASN A 21 -7.598 7.645 -0.593 1.00 0.00 C ATOM 300 C ASN A 21 -8.806 8.179 0.180 1.00 0.00 C ATOM 301 O ASN A 21 -8.672 9.217 0.806 1.00 0.00 O ATOM 302 CB ASN A 21 -8.078 6.741 -1.732 1.00 0.00 C ATOM 303 CG ASN A 21 -8.654 7.601 -2.859 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.288 8.749 -3.011 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.547 7.089 -3.662 1.00 0.00 N ATOM 306 OXT ASN A 21 -9.845 7.541 0.131 1.00 0.00 O ATOM 0 H ASN A 21 -7.192 6.093 0.809 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.034 8.482 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.250 6.139 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.835 6.048 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.937 7.653 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.854 6.125 -3.534 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.859 -2.792 12.289 1.00 0.00 N ATOM 315 CA PHE B 1 10.496 -2.270 11.986 1.00 0.00 C ATOM 316 C PHE B 1 10.479 -1.676 10.577 1.00 0.00 C ATOM 317 O PHE B 1 9.973 -0.593 10.354 1.00 0.00 O ATOM 318 CB PHE B 1 10.126 -1.186 13.001 1.00 0.00 C ATOM 319 CG PHE B 1 11.363 -0.415 13.395 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.047 0.348 12.440 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.826 -0.462 14.715 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.194 1.063 12.806 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.973 0.253 15.081 1.00 0.00 C ATOM 324 CZ PHE B 1 13.657 1.015 14.126 1.00 0.00 C ATOM 0 H1 PHE B 1 11.815 -3.823 12.420 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.499 -2.571 11.500 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.216 -2.347 13.159 1.00 0.00 H new ATOM 0 HA PHE B 1 9.774 -3.085 12.046 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.386 -0.510 12.573 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.672 -1.639 13.882 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.690 0.385 11.421 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.298 -1.050 15.452 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.721 1.651 12.070 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.330 0.217 16.100 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.542 1.566 14.408 1.00 0.00 H new ATOM 336 N VAL B 2 11.027 -2.376 9.622 1.00 0.00 N ATOM 337 CA VAL B 2 11.040 -1.852 8.227 1.00 0.00 C ATOM 338 C VAL B 2 10.314 -2.838 7.310 1.00 0.00 C ATOM 339 O VAL B 2 10.043 -3.962 7.683 1.00 0.00 O ATOM 340 CB VAL B 2 12.487 -1.690 7.757 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.287 -0.925 8.814 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.111 -3.071 7.548 1.00 0.00 C ATOM 0 H VAL B 2 11.466 -3.288 9.747 1.00 0.00 H new ATOM 0 HA VAL B 2 10.538 -0.885 8.195 1.00 0.00 H new ATOM 0 HB VAL B 2 12.503 -1.136 6.819 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.318 -0.810 8.478 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.843 0.059 8.965 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.271 -1.478 9.753 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.142 -2.957 7.213 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.093 -3.624 8.487 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.543 -3.617 6.795 1.00 0.00 H new ATOM 352 N ASN B 3 9.998 -2.429 6.111 1.00 0.00 N ATOM 353 CA ASN B 3 9.294 -3.349 5.175 1.00 0.00 C ATOM 354 C ASN B 3 10.259 -3.775 4.070 1.00 0.00 C ATOM 355 O ASN B 3 11.378 -3.307 3.998 1.00 0.00 O ATOM 356 CB ASN B 3 8.093 -2.630 4.556 1.00 0.00 C ATOM 357 CG ASN B 3 7.130 -3.661 3.965 1.00 0.00 C ATOM 358 OD1 ASN B 3 7.020 -3.765 2.669 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 6.472 -4.380 4.690 1.00 0.00 N flip ATOM 0 H ASN B 3 10.197 -1.500 5.741 1.00 0.00 H new ATOM 0 HA ASN B 3 8.946 -4.228 5.718 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.584 -2.033 5.312 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.428 -1.942 3.779 1.00 0.00 H new ATOM 0 HD21 ASN B 3 6.558 -4.299 5.703 1.00 0.00 H new ATOM 0 HD22 ASN B 3 5.834 -5.065 4.286 1.00 0.00 H new ATOM 366 N GLN B 4 9.840 -4.657 3.207 1.00 0.00 N ATOM 367 CA GLN B 4 10.741 -5.106 2.109 1.00 0.00 C ATOM 368 C GLN B 4 10.026 -6.152 1.254 1.00 0.00 C ATOM 369 O GLN B 4 10.575 -7.190 0.941 1.00 0.00 O ATOM 370 CB GLN B 4 12.007 -5.722 2.709 1.00 0.00 C ATOM 371 CG GLN B 4 13.076 -5.851 1.622 1.00 0.00 C ATOM 372 CD GLN B 4 13.851 -4.538 1.508 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.903 -3.767 2.445 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.460 -4.249 0.390 1.00 0.00 N ATOM 0 H GLN B 4 8.915 -5.086 3.214 1.00 0.00 H new ATOM 0 HA GLN B 4 11.008 -4.251 1.488 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.376 -5.100 3.525 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.783 -6.701 3.132 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.757 -6.667 1.862 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.611 -6.095 0.667 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.416 -4.897 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.980 -3.376 0.303 1.00 0.00 H new ATOM 383 N HIS B 5 8.805 -5.893 0.871 1.00 0.00 N ATOM 384 CA HIS B 5 8.070 -6.887 0.033 1.00 0.00 C ATOM 385 C HIS B 5 8.903 -7.213 -1.210 1.00 0.00 C ATOM 386 O HIS B 5 10.057 -6.845 -1.307 1.00 0.00 O ATOM 387 CB HIS B 5 6.710 -6.321 -0.393 1.00 0.00 C ATOM 388 CG HIS B 5 6.800 -4.828 -0.524 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.919 -3.824 -0.208 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 7.925 -4.199 -1.029 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 6.487 -2.591 -0.510 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 7.695 -2.876 -1.001 1.00 0.00 N flip ATOM 0 H HIS B 5 8.287 -5.044 1.099 1.00 0.00 H new ATOM 0 HA HIS B 5 7.905 -7.793 0.616 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.404 -6.761 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS B 5 5.949 -6.586 0.341 1.00 0.00 H new ATOM 0 HD1 HIS B 5 4.989 -3.961 0.188 1.00 0.00 H new ATOM 0 HD2 HIS B 5 8.824 -4.684 -1.381 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.046 -1.614 -0.376 1.00 0.00 H new ATOM 400 N LEU B 6 8.335 -7.905 -2.161 1.00 0.00 N ATOM 401 CA LEU B 6 9.109 -8.254 -3.388 1.00 0.00 C ATOM 402 C LEU B 6 8.364 -7.763 -4.632 1.00 0.00 C ATOM 403 O LEU B 6 8.705 -8.111 -5.745 1.00 0.00 O ATOM 404 CB LEU B 6 9.278 -9.772 -3.466 1.00 0.00 C ATOM 405 CG LEU B 6 8.015 -10.454 -2.939 1.00 0.00 C ATOM 406 CD1 LEU B 6 7.805 -11.780 -3.673 1.00 0.00 C ATOM 407 CD2 LEU B 6 8.167 -10.721 -1.440 1.00 0.00 C ATOM 0 H LEU B 6 7.373 -8.243 -2.142 1.00 0.00 H new ATOM 0 HA LEU B 6 10.087 -7.775 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.465 -10.075 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.143 -10.083 -2.880 1.00 0.00 H new ATOM 0 HG LEU B 6 7.156 -9.805 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.905 -12.266 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.696 -11.591 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU B 6 8.664 -12.429 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.267 -11.207 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.027 -11.369 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.316 -9.777 -0.916 1.00 0.00 H new ATOM 419 N CYS B 7 7.352 -6.958 -4.455 1.00 0.00 N ATOM 420 CA CYS B 7 6.588 -6.444 -5.627 1.00 0.00 C ATOM 421 C CYS B 7 5.779 -7.578 -6.263 1.00 0.00 C ATOM 422 O CYS B 7 5.116 -7.392 -7.263 1.00 0.00 O ATOM 423 CB CYS B 7 7.559 -5.869 -6.656 1.00 0.00 C ATOM 424 SG CYS B 7 6.632 -4.944 -7.906 1.00 0.00 S ATOM 0 H CYS B 7 7.021 -6.633 -3.547 1.00 0.00 H new ATOM 0 HA CYS B 7 5.905 -5.663 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS B 7 8.281 -5.216 -6.166 1.00 0.00 H new ATOM 0 HB3 CYS B 7 8.125 -6.673 -7.127 1.00 0.00 H new ATOM 429 N GLY B 8 5.818 -8.749 -5.688 1.00 0.00 N ATOM 430 CA GLY B 8 5.040 -9.885 -6.259 1.00 0.00 C ATOM 431 C GLY B 8 3.710 -9.990 -5.519 1.00 0.00 C ATOM 432 O GLY B 8 3.443 -10.959 -4.837 1.00 0.00 O ATOM 0 H GLY B 8 6.354 -8.968 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.868 -9.728 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.601 -10.814 -6.161 1.00 0.00 H new ATOM 436 N SER B 9 2.887 -8.982 -5.641 1.00 0.00 N ATOM 437 CA SER B 9 1.566 -8.977 -4.944 1.00 0.00 C ATOM 438 C SER B 9 1.744 -8.440 -3.520 1.00 0.00 C ATOM 439 O SER B 9 0.814 -7.951 -2.911 1.00 0.00 O ATOM 440 CB SER B 9 0.989 -10.394 -4.892 1.00 0.00 C ATOM 441 OG SER B 9 -0.412 -10.323 -4.663 1.00 0.00 O ATOM 0 H SER B 9 3.076 -8.151 -6.201 1.00 0.00 H new ATOM 0 HA SER B 9 0.876 -8.337 -5.494 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.190 -10.915 -5.828 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.470 -10.966 -4.099 1.00 0.00 H new ATOM 0 HG SER B 9 -0.785 -11.229 -4.631 1.00 0.00 H new ATOM 447 N HIS B 10 2.934 -8.523 -2.984 1.00 0.00 N ATOM 448 CA HIS B 10 3.172 -8.016 -1.608 1.00 0.00 C ATOM 449 C HIS B 10 3.098 -6.488 -1.607 1.00 0.00 C ATOM 450 O HIS B 10 2.466 -5.888 -0.760 1.00 0.00 O ATOM 451 CB HIS B 10 4.558 -8.459 -1.134 1.00 0.00 C ATOM 452 CG HIS B 10 4.545 -9.938 -0.856 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.703 -10.450 0.422 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.398 -11.026 -1.680 1.00 0.00 C ATOM 455 CE1 HIS B 10 4.646 -11.792 0.331 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.461 -12.195 -0.928 1.00 0.00 N ATOM 0 H HIS B 10 3.752 -8.922 -3.445 1.00 0.00 H new ATOM 0 HA HIS B 10 2.412 -8.417 -0.937 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.305 -8.228 -1.894 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.838 -7.912 -0.234 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.255 -10.981 -2.750 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.739 -12.461 1.174 1.00 0.00 H new ATOM 0 HE2 HIS B 10 4.383 -13.154 -1.266 1.00 0.00 H new ATOM 464 N LEU B 11 3.741 -5.851 -2.549 1.00 0.00 N ATOM 465 CA LEU B 11 3.705 -4.362 -2.596 1.00 0.00 C ATOM 466 C LEU B 11 2.259 -3.896 -2.753 1.00 0.00 C ATOM 467 O LEU B 11 1.809 -3.002 -2.065 1.00 0.00 O ATOM 468 CB LEU B 11 4.536 -3.862 -3.781 1.00 0.00 C ATOM 469 CG LEU B 11 5.049 -2.450 -3.487 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.145 -2.082 -4.489 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.895 -1.450 -3.609 1.00 0.00 C ATOM 0 H LEU B 11 4.288 -6.297 -3.286 1.00 0.00 H new ATOM 0 HA LEU B 11 4.120 -3.960 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU B 11 5.375 -4.535 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.931 -3.859 -4.687 1.00 0.00 H new ATOM 0 HG LEU B 11 5.455 -2.418 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.509 -1.076 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.969 -2.791 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.740 -2.116 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.261 -0.445 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.489 -1.485 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.113 -1.708 -2.895 1.00 0.00 H new ATOM 483 N VAL B 12 1.521 -4.496 -3.647 1.00 0.00 N ATOM 484 CA VAL B 12 0.104 -4.080 -3.827 1.00 0.00 C ATOM 485 C VAL B 12 -0.670 -4.422 -2.558 1.00 0.00 C ATOM 486 O VAL B 12 -1.366 -3.597 -2.001 1.00 0.00 O ATOM 487 CB VAL B 12 -0.506 -4.810 -5.027 1.00 0.00 C ATOM 488 CG1 VAL B 12 -0.393 -6.321 -4.823 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.981 -4.423 -5.164 1.00 0.00 C ATOM 0 H VAL B 12 1.836 -5.251 -4.256 1.00 0.00 H new ATOM 0 HA VAL B 12 0.053 -3.007 -4.012 1.00 0.00 H new ATOM 0 HB VAL B 12 0.031 -4.527 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.828 -6.837 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.657 -6.598 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.927 -6.607 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.416 -4.942 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.517 -4.704 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.062 -3.346 -5.314 1.00 0.00 H new ATOM 499 N GLU B 13 -0.531 -5.624 -2.080 1.00 0.00 N ATOM 500 CA GLU B 13 -1.233 -6.005 -0.829 1.00 0.00 C ATOM 501 C GLU B 13 -0.815 -5.026 0.266 1.00 0.00 C ATOM 502 O GLU B 13 -1.553 -4.750 1.191 1.00 0.00 O ATOM 503 CB GLU B 13 -0.835 -7.428 -0.429 1.00 0.00 C ATOM 504 CG GLU B 13 -1.628 -7.856 0.808 1.00 0.00 C ATOM 505 CD GLU B 13 -1.666 -9.383 0.886 1.00 0.00 C ATOM 506 OE1 GLU B 13 -0.641 -9.995 0.633 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.719 -9.915 1.197 1.00 0.00 O ATOM 0 H GLU B 13 0.038 -6.358 -2.502 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.313 -5.971 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.028 -8.115 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.234 -7.472 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.168 -7.447 1.707 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -2.642 -7.458 0.759 1.00 0.00 H new ATOM 514 N ALA B 14 0.377 -4.500 0.160 1.00 0.00 N ATOM 515 CA ALA B 14 0.869 -3.538 1.182 1.00 0.00 C ATOM 516 C ALA B 14 0.071 -2.239 1.091 1.00 0.00 C ATOM 517 O ALA B 14 -0.296 -1.653 2.088 1.00 0.00 O ATOM 518 CB ALA B 14 2.351 -3.247 0.936 1.00 0.00 C ATOM 0 H ALA B 14 1.032 -4.698 -0.596 1.00 0.00 H new ATOM 0 HA ALA B 14 0.743 -3.969 2.175 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.712 -2.542 1.685 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.920 -4.174 1.006 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.477 -2.818 -0.058 1.00 0.00 H new ATOM 524 N LEU B 15 -0.203 -1.784 -0.098 1.00 0.00 N ATOM 525 CA LEU B 15 -0.978 -0.521 -0.252 1.00 0.00 C ATOM 526 C LEU B 15 -2.322 -0.672 0.453 1.00 0.00 C ATOM 527 O LEU B 15 -2.832 0.257 1.047 1.00 0.00 O ATOM 528 CB LEU B 15 -1.203 -0.236 -1.739 1.00 0.00 C ATOM 529 CG LEU B 15 -1.523 1.246 -1.937 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.866 1.571 -1.280 1.00 0.00 C ATOM 531 CD2 LEU B 15 -0.422 2.094 -1.296 1.00 0.00 C ATOM 0 H LEU B 15 0.076 -2.232 -0.971 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.425 0.308 0.190 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.314 -0.505 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.022 -0.848 -2.117 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.579 1.467 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.094 2.628 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.650 0.967 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.812 1.351 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.649 3.151 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.367 1.873 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.535 1.863 -1.765 1.00 0.00 H new ATOM 543 N TYR B 16 -2.894 -1.837 0.408 1.00 0.00 N ATOM 544 CA TYR B 16 -4.193 -2.041 1.096 1.00 0.00 C ATOM 545 C TYR B 16 -3.961 -1.955 2.603 1.00 0.00 C ATOM 546 O TYR B 16 -4.634 -1.232 3.310 1.00 0.00 O ATOM 547 CB TYR B 16 -4.746 -3.423 0.736 1.00 0.00 C ATOM 548 CG TYR B 16 -6.135 -3.584 1.308 1.00 0.00 C ATOM 549 CD1 TYR B 16 -6.304 -3.857 2.671 1.00 0.00 C ATOM 550 CD2 TYR B 16 -7.253 -3.467 0.474 1.00 0.00 C ATOM 551 CE1 TYR B 16 -7.591 -4.014 3.199 1.00 0.00 C ATOM 552 CE2 TYR B 16 -8.540 -3.622 1.003 1.00 0.00 C ATOM 553 CZ TYR B 16 -8.709 -3.896 2.365 1.00 0.00 C ATOM 554 OH TYR B 16 -9.978 -4.050 2.885 1.00 0.00 O ATOM 0 H TYR B 16 -2.520 -2.655 -0.074 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.909 -1.280 0.786 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.773 -3.543 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.090 -4.200 1.127 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.442 -3.946 3.315 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -7.123 -3.257 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.721 -4.226 4.250 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -9.403 -3.530 0.360 1.00 0.00 H new ATOM 0 HH TYR B 16 -10.640 -3.936 2.171 1.00 0.00 H new ATOM 564 N LEU B 17 -3.006 -2.692 3.093 1.00 0.00 N ATOM 565 CA LEU B 17 -2.711 -2.669 4.553 1.00 0.00 C ATOM 566 C LEU B 17 -2.075 -1.339 4.966 1.00 0.00 C ATOM 567 O LEU B 17 -2.400 -0.787 5.998 1.00 0.00 O ATOM 568 CB LEU B 17 -1.768 -3.821 4.905 1.00 0.00 C ATOM 569 CG LEU B 17 -2.089 -4.331 6.311 1.00 0.00 C ATOM 570 CD1 LEU B 17 -3.371 -5.165 6.271 1.00 0.00 C ATOM 571 CD2 LEU B 17 -0.933 -5.199 6.814 1.00 0.00 C ATOM 0 H LEU B 17 -2.413 -3.313 2.543 1.00 0.00 H new ATOM 0 HA LEU B 17 -3.650 -2.782 5.094 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.876 -4.628 4.180 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.732 -3.485 4.856 1.00 0.00 H new ATOM 0 HG LEU B 17 -2.227 -3.483 6.982 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -3.600 -5.529 7.273 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -4.195 -4.549 5.912 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -3.233 -6.013 5.600 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.161 -5.563 7.816 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.795 -6.047 6.143 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.019 -4.606 6.842 1.00 0.00 H new ATOM 583 N VAL B 18 -1.163 -0.823 4.189 1.00 0.00 N ATOM 584 CA VAL B 18 -0.515 0.463 4.579 1.00 0.00 C ATOM 585 C VAL B 18 -1.599 1.512 4.780 1.00 0.00 C ATOM 586 O VAL B 18 -1.611 2.232 5.758 1.00 0.00 O ATOM 587 CB VAL B 18 0.447 0.939 3.484 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.472 -0.150 3.166 1.00 0.00 C ATOM 589 CG2 VAL B 18 -0.346 1.278 2.230 1.00 0.00 C ATOM 0 H VAL B 18 -0.841 -1.229 3.311 1.00 0.00 H new ATOM 0 HA VAL B 18 0.051 0.313 5.498 1.00 0.00 H new ATOM 0 HB VAL B 18 0.976 1.825 3.836 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.148 0.203 2.387 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.044 -0.385 4.064 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.956 -1.046 2.820 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.335 1.617 1.449 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.880 0.392 1.886 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.062 2.068 2.455 1.00 0.00 H new ATOM 599 N CYS B 19 -2.516 1.597 3.865 1.00 0.00 N ATOM 600 CA CYS B 19 -3.609 2.592 4.004 1.00 0.00 C ATOM 601 C CYS B 19 -4.532 2.478 2.798 1.00 0.00 C ATOM 602 O CYS B 19 -5.093 3.449 2.338 1.00 0.00 O ATOM 603 CB CYS B 19 -3.017 4.001 4.067 1.00 0.00 C ATOM 604 SG CYS B 19 -4.052 5.042 5.125 1.00 0.00 S ATOM 0 H CYS B 19 -2.557 1.020 3.025 1.00 0.00 H new ATOM 0 HA CYS B 19 -4.170 2.401 4.919 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.000 3.963 4.458 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -2.957 4.427 3.066 1.00 0.00 H new ATOM 609 N GLY B 20 -4.692 1.296 2.277 1.00 0.00 N ATOM 610 CA GLY B 20 -5.582 1.138 1.092 1.00 0.00 C ATOM 611 C GLY B 20 -6.932 0.571 1.534 1.00 0.00 C ATOM 612 O GLY B 20 -7.945 0.789 0.900 1.00 0.00 O ATOM 0 H GLY B 20 -4.251 0.440 2.614 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.724 2.101 0.601 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -5.119 0.473 0.363 1.00 0.00 H new ATOM 616 N GLU B 21 -6.958 -0.152 2.619 1.00 0.00 N ATOM 617 CA GLU B 21 -8.247 -0.728 3.096 1.00 0.00 C ATOM 618 C GLU B 21 -9.344 0.337 3.015 1.00 0.00 C ATOM 619 O GLU B 21 -10.410 0.103 2.481 1.00 0.00 O ATOM 620 CB GLU B 21 -8.094 -1.193 4.546 1.00 0.00 C ATOM 621 CG GLU B 21 -9.471 -1.531 5.121 1.00 0.00 C ATOM 622 CD GLU B 21 -9.311 -2.478 6.311 1.00 0.00 C ATOM 623 OE1 GLU B 21 -8.185 -2.676 6.738 1.00 0.00 O ATOM 624 OE2 GLU B 21 -10.316 -2.990 6.776 1.00 0.00 O ATOM 0 H GLU B 21 -6.145 -0.369 3.195 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.518 -1.577 2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.444 -2.067 4.592 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.621 -0.412 5.142 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -9.979 -0.619 5.435 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.092 -1.995 4.355 1.00 0.00 H new ATOM 631 N ARG B 22 -9.094 1.504 3.543 1.00 0.00 N ATOM 632 CA ARG B 22 -10.121 2.577 3.501 1.00 0.00 C ATOM 633 C ARG B 22 -10.060 3.301 2.155 1.00 0.00 C ATOM 634 O ARG B 22 -11.062 3.743 1.631 1.00 0.00 O ATOM 635 CB ARG B 22 -9.862 3.578 4.628 1.00 0.00 C ATOM 636 CG ARG B 22 -11.133 4.385 4.895 1.00 0.00 C ATOM 637 CD ARG B 22 -11.809 3.866 6.165 1.00 0.00 C ATOM 638 NE ARG B 22 -11.953 2.386 6.081 1.00 0.00 N ATOM 639 CZ ARG B 22 -12.995 1.800 6.604 1.00 0.00 C ATOM 640 NH1 ARG B 22 -14.175 2.346 6.493 1.00 0.00 N ATOM 641 NH2 ARG B 22 -12.857 0.669 7.239 1.00 0.00 N ATOM 0 H ARG B 22 -8.220 1.759 4.002 1.00 0.00 H new ATOM 0 HA ARG B 22 -11.108 2.132 3.627 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.555 3.052 5.532 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.045 4.246 4.355 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.889 5.442 5.006 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.814 4.302 4.048 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.218 4.136 7.040 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.787 4.331 6.285 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.236 1.830 5.614 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -14.283 3.231 5.997 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.989 1.888 6.902 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.935 0.243 7.327 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.672 0.211 7.648 1.00 0.00 H new ATOM 655 N GLY B 23 -8.890 3.429 1.593 1.00 0.00 N ATOM 656 CA GLY B 23 -8.765 4.129 0.283 1.00 0.00 C ATOM 657 C GLY B 23 -9.102 3.163 -0.854 1.00 0.00 C ATOM 658 O GLY B 23 -8.982 3.495 -2.017 1.00 0.00 O ATOM 0 H GLY B 23 -8.015 3.079 1.984 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.435 4.988 0.254 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -7.752 4.511 0.160 1.00 0.00 H new ATOM 662 N PHE B 24 -9.519 1.970 -0.532 1.00 0.00 N ATOM 663 CA PHE B 24 -9.858 0.988 -1.601 1.00 0.00 C ATOM 664 C PHE B 24 -11.174 0.280 -1.263 1.00 0.00 C ATOM 665 O PHE B 24 -11.943 -0.067 -2.137 1.00 0.00 O ATOM 666 CB PHE B 24 -8.738 -0.048 -1.713 1.00 0.00 C ATOM 667 CG PHE B 24 -7.522 0.587 -2.346 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.813 1.585 -1.663 1.00 0.00 C ATOM 669 CD2 PHE B 24 -7.102 0.176 -3.616 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.686 2.168 -2.252 1.00 0.00 C ATOM 671 CE2 PHE B 24 -5.974 0.759 -4.204 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.266 1.755 -3.522 1.00 0.00 C ATOM 0 H PHE B 24 -9.640 1.633 0.423 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.968 1.515 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.486 -0.435 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -9.071 -0.896 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.137 1.903 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.649 -0.592 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.140 2.937 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.650 0.440 -5.184 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.395 2.205 -3.976 1.00 0.00 H new ATOM 682 N PHE B 25 -11.441 0.059 -0.003 1.00 0.00 N ATOM 683 CA PHE B 25 -12.706 -0.629 0.380 1.00 0.00 C ATOM 684 C PHE B 25 -13.876 0.351 0.270 1.00 0.00 C ATOM 685 O PHE B 25 -13.816 1.462 0.758 1.00 0.00 O ATOM 686 CB PHE B 25 -12.596 -1.133 1.821 1.00 0.00 C ATOM 687 CG PHE B 25 -13.771 -2.026 2.135 1.00 0.00 C ATOM 688 CD1 PHE B 25 -13.740 -3.378 1.772 1.00 0.00 C ATOM 689 CD2 PHE B 25 -14.892 -1.503 2.792 1.00 0.00 C ATOM 690 CE1 PHE B 25 -14.830 -4.207 2.065 1.00 0.00 C ATOM 691 CE2 PHE B 25 -15.981 -2.332 3.085 1.00 0.00 C ATOM 692 CZ PHE B 25 -15.951 -3.684 2.722 1.00 0.00 C ATOM 0 H PHE B 25 -10.838 0.325 0.776 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.877 -1.473 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.663 -1.681 1.955 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.572 -0.290 2.511 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.875 -3.782 1.266 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.916 -0.460 3.072 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -14.806 -5.250 1.784 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.845 -1.928 3.592 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.792 -4.323 2.948 1.00 0.00 H new ATOM 702 N TYR B 26 -14.941 -0.051 -0.369 1.00 0.00 N ATOM 703 CA TYR B 26 -16.115 0.856 -0.513 1.00 0.00 C ATOM 704 C TYR B 26 -17.223 0.417 0.449 1.00 0.00 C ATOM 705 O TYR B 26 -17.353 -0.753 0.750 1.00 0.00 O ATOM 706 CB TYR B 26 -16.634 0.793 -1.951 1.00 0.00 C ATOM 707 CG TYR B 26 -16.010 1.903 -2.762 1.00 0.00 C ATOM 708 CD1 TYR B 26 -14.634 2.148 -2.671 1.00 0.00 C ATOM 709 CD2 TYR B 26 -16.807 2.688 -3.604 1.00 0.00 C ATOM 710 CE1 TYR B 26 -14.055 3.177 -3.424 1.00 0.00 C ATOM 711 CE2 TYR B 26 -16.228 3.718 -4.356 1.00 0.00 C ATOM 712 CZ TYR B 26 -14.852 3.962 -4.266 1.00 0.00 C ATOM 713 OH TYR B 26 -14.282 4.977 -5.007 1.00 0.00 O ATOM 0 H TYR B 26 -15.049 -0.970 -0.798 1.00 0.00 H new ATOM 0 HA TYR B 26 -15.815 1.877 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.394 -0.174 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.720 0.887 -1.961 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.020 1.543 -2.020 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -17.868 2.499 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.994 3.365 -3.355 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -16.843 4.324 -5.005 1.00 0.00 H new ATOM 0 HH TYR B 26 -14.974 5.423 -5.538 1.00 0.00 H new ATOM 723 N PRO B 27 -17.992 1.375 0.902 1.00 0.00 N ATOM 724 CA PRO B 27 -19.105 1.127 1.834 1.00 0.00 C ATOM 725 C PRO B 27 -20.313 0.555 1.084 1.00 0.00 C ATOM 726 O PRO B 27 -20.547 0.869 -0.066 1.00 0.00 O ATOM 727 CB PRO B 27 -19.418 2.516 2.397 1.00 0.00 C ATOM 728 CG PRO B 27 -18.877 3.536 1.367 1.00 0.00 C ATOM 729 CD PRO B 27 -17.822 2.794 0.525 1.00 0.00 C ATOM 0 HA PRO B 27 -18.861 0.403 2.612 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -20.491 2.643 2.543 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -18.945 2.657 3.369 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -19.682 3.913 0.736 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -18.436 4.397 1.869 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -17.985 2.945 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -16.815 3.147 0.746 1.00 0.00 H new ATOM 737 N THR B 28 -21.080 -0.281 1.728 1.00 0.00 N ATOM 738 CA THR B 28 -22.270 -0.872 1.052 1.00 0.00 C ATOM 739 C THR B 28 -23.462 -0.856 2.012 1.00 0.00 C ATOM 740 O THR B 28 -23.896 -1.883 2.495 1.00 0.00 O ATOM 741 CB THR B 28 -21.962 -2.315 0.646 1.00 0.00 C ATOM 742 OG1 THR B 28 -21.482 -3.030 1.777 1.00 0.00 O ATOM 743 CG2 THR B 28 -20.898 -2.322 -0.453 1.00 0.00 C ATOM 0 H THR B 28 -20.935 -0.580 2.692 1.00 0.00 H new ATOM 0 HA THR B 28 -22.510 -0.288 0.164 1.00 0.00 H new ATOM 0 HB THR B 28 -22.869 -2.790 0.273 1.00 0.00 H new ATOM 0 HG1 THR B 28 -22.173 -3.044 2.472 1.00 0.00 H new ATOM 0 HG21 THR B 28 -20.679 -3.350 -0.741 1.00 0.00 H new ATOM 0 HG22 THR B 28 -21.266 -1.773 -1.319 1.00 0.00 H new ATOM 0 HG23 THR B 28 -19.989 -1.848 -0.082 1.00 0.00 H new ATOM 751 N LYS B 29 -23.995 0.302 2.292 1.00 0.00 N ATOM 752 CA LYS B 29 -25.157 0.382 3.220 1.00 0.00 C ATOM 753 C LYS B 29 -26.450 0.501 2.410 1.00 0.00 C ATOM 754 O LYS B 29 -26.596 1.376 1.580 1.00 0.00 O ATOM 755 CB LYS B 29 -25.006 1.609 4.122 1.00 0.00 C ATOM 756 CG LYS B 29 -24.914 2.869 3.260 1.00 0.00 C ATOM 757 CD LYS B 29 -26.163 3.726 3.472 1.00 0.00 C ATOM 758 CE LYS B 29 -25.815 4.928 4.352 1.00 0.00 C ATOM 759 NZ LYS B 29 -26.755 4.988 5.506 1.00 0.00 N ATOM 0 H LYS B 29 -23.676 1.196 1.918 1.00 0.00 H new ATOM 0 HA LYS B 29 -25.194 -0.518 3.834 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -25.856 1.681 4.801 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -24.113 1.512 4.739 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -24.022 3.437 3.522 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -24.821 2.597 2.209 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -26.551 4.065 2.512 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -26.948 3.133 3.942 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -24.789 4.845 4.709 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -25.877 5.848 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -26.518 5.805 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -27.729 5.086 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -26.674 4.115 6.065 1.00 0.00 H new ATOM 773 N THR B 30 -27.390 -0.373 2.645 1.00 0.00 N ATOM 774 CA THR B 30 -28.672 -0.311 1.888 1.00 0.00 C ATOM 775 C THR B 30 -29.368 1.022 2.173 1.00 0.00 C ATOM 776 O THR B 30 -29.307 1.893 1.321 1.00 0.00 O ATOM 777 CB THR B 30 -29.579 -1.464 2.325 1.00 0.00 C ATOM 778 OG1 THR B 30 -29.227 -1.867 3.641 1.00 0.00 O ATOM 779 CG2 THR B 30 -29.408 -2.642 1.364 1.00 0.00 C ATOM 780 OXT THR B 30 -29.950 1.148 3.238 1.00 0.00 O ATOM 0 H THR B 30 -27.326 -1.127 3.329 1.00 0.00 H new ATOM 0 HA THR B 30 -28.468 -0.394 0.820 1.00 0.00 H new ATOM 0 HB THR B 30 -30.618 -1.136 2.311 1.00 0.00 H new ATOM 0 HG1 THR B 30 -29.808 -2.604 3.924 1.00 0.00 H new ATOM 0 HG21 THR B 30 -30.054 -3.463 1.676 1.00 0.00 H new ATOM 0 HG22 THR B 30 -29.678 -2.331 0.355 1.00 0.00 H new ATOM 0 HG23 THR B 30 -28.370 -2.973 1.376 1.00 0.00 H new TER 788 THR B 30