USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 ARG N :NH3+ 133:sc= 0.018 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -15:sc= -2.93! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 174:sc= -2.66! USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.165 -6.470 0.664 1.00 0.00 N ATOM 2 CA ARG A 1 8.808 -6.767 2.041 1.00 0.00 C ATOM 3 C ARG A 1 9.143 -5.579 2.944 1.00 0.00 C ATOM 4 O ARG A 1 10.187 -4.949 2.785 1.00 0.00 O ATOM 5 CB ARG A 1 9.548 -8.007 2.546 1.00 0.00 C ATOM 6 CG ARG A 1 8.886 -8.564 3.808 1.00 0.00 C ATOM 7 CD ARG A 1 7.717 -9.485 3.454 1.00 0.00 C ATOM 8 NE ARG A 1 8.080 -10.893 3.729 1.00 0.00 N ATOM 9 CZ ARG A 1 7.916 -11.497 4.926 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.393 -10.819 5.969 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.275 -12.760 5.060 1.00 0.00 N ATOM 0 H1 ARG A 1 9.688 -7.273 0.260 1.00 0.00 H new ATOM 0 H2 ARG A 1 8.301 -6.306 0.109 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.762 -5.619 0.636 1.00 0.00 H new ATOM 0 HA ARG A 1 7.736 -6.960 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.558 -8.771 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.587 -7.754 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.621 -9.113 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.531 -7.742 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.837 -9.208 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.456 -9.367 2.402 1.00 0.00 H new ATOM 0 HE ARG A 1 8.479 -11.442 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.118 -9.843 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.272 -11.282 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.670 -13.265 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.158 -13.231 5.957 1.00 0.00 H new ATOM 24 N TRP A 2 8.237 -5.308 3.872 1.00 0.00 N ATOM 25 CA TRP A 2 8.423 -4.206 4.801 1.00 0.00 C ATOM 26 C TRP A 2 8.072 -4.706 6.204 1.00 0.00 C ATOM 27 O TRP A 2 7.166 -5.521 6.368 1.00 0.00 O ATOM 28 CB TRP A 2 7.600 -2.987 4.378 1.00 0.00 C ATOM 29 CG TRP A 2 7.379 -2.880 2.867 1.00 0.00 C ATOM 30 CD1 TRP A 2 6.283 -3.208 2.169 1.00 0.00 C ATOM 31 CD2 TRP A 2 8.326 -2.397 1.892 1.00 0.00 C ATOM 32 NE1 TRP A 2 6.454 -2.972 0.820 1.00 0.00 N ATOM 33 CE2 TRP A 2 7.736 -2.463 0.646 1.00 0.00 C ATOM 34 CE3 TRP A 2 9.638 -1.919 2.056 1.00 0.00 C ATOM 35 CZ2 TRP A 2 8.383 -2.068 -0.531 1.00 0.00 C ATOM 36 CZ3 TRP A 2 10.271 -1.528 0.870 1.00 0.00 C ATOM 37 CH2 TRP A 2 9.691 -1.588 -0.391 1.00 0.00 C ATOM 0 H TRP A 2 7.372 -5.833 4.001 1.00 0.00 H new ATOM 0 HA TRP A 2 9.460 -3.872 4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.631 -3.025 4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 2 8.101 -2.084 4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 2 5.380 -3.607 2.607 1.00 0.00 H new ATOM 0 HE1 TRP A 2 5.766 -3.140 0.086 1.00 0.00 H new ATOM 0 HE3 TRP A 2 10.120 -1.858 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.900 -2.130 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 11.281 -1.153 0.940 1.00 0.00 H new ATOM 0 HH2 TRP A 2 10.246 -1.266 -1.259 1.00 0.00 H new ATOM 48 N CYS A 3 8.809 -4.196 7.180 1.00 0.00 N ATOM 49 CA CYS A 3 8.587 -4.580 8.564 1.00 0.00 C ATOM 50 C CYS A 3 8.968 -3.399 9.458 1.00 0.00 C ATOM 51 O CYS A 3 9.304 -2.324 8.962 1.00 0.00 O ATOM 52 CB CYS A 3 9.363 -5.847 8.930 1.00 0.00 C ATOM 53 SG CYS A 3 8.708 -7.389 8.193 1.00 0.00 S ATOM 0 H CYS A 3 9.560 -3.520 7.040 1.00 0.00 H new ATOM 0 HA CYS A 3 7.535 -4.821 8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.400 -5.724 8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.367 -5.953 10.015 1.00 0.00 H new ATOM 58 N VAL A 4 8.904 -3.638 10.759 1.00 0.00 N ATOM 59 CA VAL A 4 9.238 -2.606 11.727 1.00 0.00 C ATOM 60 C VAL A 4 9.945 -3.246 12.924 1.00 0.00 C ATOM 61 O VAL A 4 9.468 -4.239 13.473 1.00 0.00 O ATOM 62 CB VAL A 4 7.980 -1.830 12.120 1.00 0.00 C ATOM 63 CG1 VAL A 4 6.961 -1.823 10.979 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.364 -2.396 13.401 1.00 0.00 C ATOM 0 H VAL A 4 8.626 -4.531 11.166 1.00 0.00 H new ATOM 0 HA VAL A 4 9.927 -1.882 11.292 1.00 0.00 H new ATOM 0 HB VAL A 4 8.271 -0.798 12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.076 -1.265 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.402 -1.352 10.100 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.678 -2.848 10.738 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.471 -1.826 13.658 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.095 -3.441 13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.086 -2.325 14.214 1.00 0.00 H new ATOM 74 N TYR A 5 11.069 -2.652 13.294 1.00 0.00 N ATOM 75 CA TYR A 5 11.846 -3.151 14.416 1.00 0.00 C ATOM 76 C TYR A 5 12.053 -2.060 15.468 1.00 0.00 C ATOM 77 O TYR A 5 12.527 -0.970 15.153 1.00 0.00 O ATOM 78 CB TYR A 5 13.206 -3.553 13.841 1.00 0.00 C ATOM 79 CG TYR A 5 13.275 -5.005 13.363 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.738 -5.354 12.140 1.00 0.00 C ATOM 81 CD2 TYR A 5 13.874 -5.964 14.154 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.803 -6.721 11.690 1.00 0.00 C ATOM 83 CE2 TYR A 5 13.939 -7.330 13.703 1.00 0.00 C ATOM 84 CZ TYR A 5 13.400 -7.641 12.494 1.00 0.00 C ATOM 85 OH TYR A 5 13.461 -8.931 12.068 1.00 0.00 O ATOM 0 H TYR A 5 11.461 -1.829 12.837 1.00 0.00 H new ATOM 0 HA TYR A 5 11.333 -3.983 14.898 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.445 -2.895 13.006 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.971 -3.395 14.601 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.270 -4.603 11.521 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.294 -5.690 15.111 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.387 -7.009 10.736 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.405 -8.091 14.311 1.00 0.00 H new ATOM 0 HH TYR A 5 13.915 -9.477 12.743 1.00 0.00 H new ATOM 95 N ALA A 6 11.686 -2.392 16.698 1.00 0.00 N ATOM 96 CA ALA A 6 11.825 -1.454 17.799 1.00 0.00 C ATOM 97 C ALA A 6 12.591 -2.125 18.941 1.00 0.00 C ATOM 98 O ALA A 6 12.494 -3.336 19.131 1.00 0.00 O ATOM 99 CB ALA A 6 10.441 -0.966 18.232 1.00 0.00 C ATOM 0 H ALA A 6 11.293 -3.297 16.956 1.00 0.00 H new ATOM 0 HA ALA A 6 12.396 -0.579 17.488 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.545 -0.262 19.058 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.951 -0.471 17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.840 -1.816 18.553 1.00 0.00 H new ATOM 105 N TYR A 7 13.336 -1.308 19.671 1.00 0.00 N ATOM 106 CA TYR A 7 14.118 -1.807 20.789 1.00 0.00 C ATOM 107 C TYR A 7 14.244 -0.748 21.886 1.00 0.00 C ATOM 108 O TYR A 7 14.916 0.266 21.701 1.00 0.00 O ATOM 109 CB TYR A 7 15.508 -2.112 20.229 1.00 0.00 C ATOM 110 CG TYR A 7 16.465 -2.738 21.245 1.00 0.00 C ATOM 111 CD1 TYR A 7 16.896 -2.003 22.331 1.00 0.00 C ATOM 112 CD2 TYR A 7 16.898 -4.038 21.076 1.00 0.00 C ATOM 113 CE1 TYR A 7 17.797 -2.593 23.287 1.00 0.00 C ATOM 114 CE2 TYR A 7 17.798 -4.627 22.032 1.00 0.00 C ATOM 115 CZ TYR A 7 18.204 -3.876 23.091 1.00 0.00 C ATOM 116 OH TYR A 7 19.054 -4.433 23.994 1.00 0.00 O ATOM 0 H TYR A 7 13.415 -0.304 19.510 1.00 0.00 H new ATOM 0 HA TYR A 7 13.643 -2.684 21.228 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.406 -2.786 19.378 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.947 -1.188 19.853 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.558 -0.986 22.464 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.561 -4.613 20.226 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.142 -2.029 24.141 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.144 -5.643 21.911 1.00 0.00 H new ATOM 0 HH TYR A 7 19.446 -3.729 24.552 1.00 0.00 H new ATOM 126 N VAL A 8 13.588 -1.019 23.005 1.00 0.00 N ATOM 127 CA VAL A 8 13.618 -0.102 24.132 1.00 0.00 C ATOM 128 C VAL A 8 14.314 -0.778 25.315 1.00 0.00 C ATOM 129 O VAL A 8 14.015 -1.925 25.643 1.00 0.00 O ATOM 130 CB VAL A 8 12.200 0.369 24.461 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.226 1.531 25.457 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.440 0.752 23.190 1.00 0.00 C ATOM 0 H VAL A 8 13.032 -1.861 23.155 1.00 0.00 H new ATOM 0 HA VAL A 8 14.193 0.790 23.884 1.00 0.00 H new ATOM 0 HB VAL A 8 11.671 -0.461 24.929 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.206 1.847 25.674 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.710 1.209 26.379 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.781 2.365 25.028 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.435 1.083 23.453 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.966 1.559 22.681 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.376 -0.113 22.530 1.00 0.00 H new ATOM 142 N ARG A 9 15.230 -0.038 25.923 1.00 0.00 N ATOM 143 CA ARG A 9 15.970 -0.551 27.063 1.00 0.00 C ATOM 144 C ARG A 9 16.303 0.583 28.034 1.00 0.00 C ATOM 145 O ARG A 9 16.979 1.542 27.666 1.00 0.00 O ATOM 146 CB ARG A 9 17.268 -1.228 26.617 1.00 0.00 C ATOM 147 CG ARG A 9 18.267 -1.315 27.772 1.00 0.00 C ATOM 148 CD ARG A 9 19.465 -2.189 27.397 1.00 0.00 C ATOM 149 NE ARG A 9 20.715 -1.402 27.492 1.00 0.00 N ATOM 150 CZ ARG A 9 21.932 -1.940 27.722 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.073 -3.273 27.883 1.00 0.00 N ATOM 152 NH2 ARG A 9 22.982 -1.142 27.787 1.00 0.00 N ATOM 0 H ARG A 9 15.476 0.913 25.647 1.00 0.00 H new ATOM 0 HA ARG A 9 15.341 -1.288 27.562 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.050 -2.229 26.244 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.709 -0.669 25.792 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.611 -0.315 28.036 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.774 -1.726 28.653 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.518 -3.052 28.060 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.343 -2.572 26.384 1.00 0.00 H new ATOM 0 HE ARG A 9 20.653 -0.390 27.377 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.257 -3.882 27.831 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.996 -3.671 28.056 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.866 -0.136 27.664 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.909 -1.532 27.960 1.00 0.00 H new ATOM 165 N ILE A 10 15.812 0.436 29.256 1.00 0.00 N ATOM 166 CA ILE A 10 16.049 1.436 30.283 1.00 0.00 C ATOM 167 C ILE A 10 16.066 0.759 31.655 1.00 0.00 C ATOM 168 O ILE A 10 15.432 -0.278 31.847 1.00 0.00 O ATOM 169 CB ILE A 10 15.030 2.571 30.171 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.556 2.742 28.726 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.592 3.872 30.747 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.473 3.819 28.627 1.00 0.00 C ATOM 0 H ILE A 10 15.251 -0.361 29.558 1.00 0.00 H new ATOM 0 HA ILE A 10 17.026 1.900 30.144 1.00 0.00 H new ATOM 0 HB ILE A 10 14.157 2.306 30.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.401 3.012 28.092 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.167 1.795 28.353 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.847 4.662 30.655 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.839 3.727 31.799 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.491 4.154 30.199 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.154 3.920 27.590 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.620 3.535 29.243 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.873 4.770 28.978 1.00 0.00 H new ATOM 184 N ARG A 11 16.799 1.371 32.573 1.00 0.00 N ATOM 185 CA ARG A 11 16.907 0.840 33.921 1.00 0.00 C ATOM 186 C ARG A 11 17.489 -0.575 33.889 1.00 0.00 C ATOM 187 O ARG A 11 18.689 -0.761 34.084 1.00 0.00 O ATOM 188 CB ARG A 11 15.542 0.807 34.611 1.00 0.00 C ATOM 189 CG ARG A 11 15.255 2.132 35.321 1.00 0.00 C ATOM 190 CD ARG A 11 14.160 2.917 34.596 1.00 0.00 C ATOM 191 NE ARG A 11 13.531 3.883 35.523 1.00 0.00 N ATOM 192 CZ ARG A 11 12.690 4.866 35.137 1.00 0.00 C ATOM 193 NH1 ARG A 11 12.370 5.021 33.835 1.00 0.00 N ATOM 194 NH2 ARG A 11 12.185 5.673 36.051 1.00 0.00 N ATOM 0 H ARG A 11 17.324 2.230 32.410 1.00 0.00 H new ATOM 0 HA ARG A 11 17.570 1.497 34.484 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.763 0.608 33.875 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.515 -0.010 35.332 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.949 1.939 36.349 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.166 2.729 35.367 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.584 3.444 33.741 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.407 2.232 34.206 1.00 0.00 H new ATOM 0 HE ARG A 11 13.746 3.801 36.517 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.764 4.393 33.135 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.734 5.766 33.551 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.432 5.549 37.033 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.548 6.421 35.775 1.00 0.00 H new ATOM 207 N GLY A 12 16.611 -1.536 33.640 1.00 0.00 N ATOM 208 CA GLY A 12 17.022 -2.928 33.580 1.00 0.00 C ATOM 209 C GLY A 12 15.987 -3.774 32.836 1.00 0.00 C ATOM 210 O GLY A 12 15.879 -4.977 33.070 1.00 0.00 O ATOM 0 H GLY A 12 15.617 -1.378 33.478 1.00 0.00 H new ATOM 0 HA2 GLY A 12 17.987 -3.005 33.079 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.155 -3.315 34.590 1.00 0.00 H new ATOM 214 N VAL A 13 15.252 -3.112 31.955 1.00 0.00 N ATOM 215 CA VAL A 13 14.229 -3.788 31.176 1.00 0.00 C ATOM 216 C VAL A 13 14.537 -3.624 29.686 1.00 0.00 C ATOM 217 O VAL A 13 15.187 -2.660 29.285 1.00 0.00 O ATOM 218 CB VAL A 13 12.844 -3.262 31.560 1.00 0.00 C ATOM 219 CG1 VAL A 13 11.741 -4.070 30.875 1.00 0.00 C ATOM 220 CG2 VAL A 13 12.661 -3.262 33.079 1.00 0.00 C ATOM 0 H VAL A 13 15.345 -2.114 31.763 1.00 0.00 H new ATOM 0 HA VAL A 13 14.228 -4.856 31.393 1.00 0.00 H new ATOM 0 HB VAL A 13 12.768 -2.232 31.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.767 -3.675 31.165 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.855 -3.997 29.793 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.814 -5.115 31.178 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.669 -2.884 33.326 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.767 -4.278 33.458 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.417 -2.624 33.537 1.00 0.00 H new ATOM 230 N LEU A 14 14.057 -4.581 28.906 1.00 0.00 N ATOM 231 CA LEU A 14 14.273 -4.555 27.470 1.00 0.00 C ATOM 232 C LEU A 14 12.992 -4.994 26.757 1.00 0.00 C ATOM 233 O LEU A 14 12.594 -6.154 26.848 1.00 0.00 O ATOM 234 CB LEU A 14 15.501 -5.390 27.098 1.00 0.00 C ATOM 235 CG LEU A 14 15.794 -5.521 25.602 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.327 -4.279 24.840 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.274 -5.821 25.357 1.00 0.00 C ATOM 0 H LEU A 14 13.519 -5.380 29.242 1.00 0.00 H new ATOM 0 HA LEU A 14 14.492 -3.541 27.136 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.374 -4.952 27.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.375 -6.390 27.512 1.00 0.00 H new ATOM 0 HG LEU A 14 15.226 -6.367 25.216 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.547 -4.399 23.779 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.253 -4.152 24.975 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.848 -3.401 25.222 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.455 -5.909 24.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.881 -5.012 25.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.542 -6.756 25.848 1.00 0.00 H new ATOM 249 N VAL A 15 12.383 -4.043 26.064 1.00 0.00 N ATOM 250 CA VAL A 15 11.155 -4.317 25.337 1.00 0.00 C ATOM 251 C VAL A 15 11.416 -4.181 23.835 1.00 0.00 C ATOM 252 O VAL A 15 11.346 -3.083 23.286 1.00 0.00 O ATOM 253 CB VAL A 15 10.036 -3.400 25.835 1.00 0.00 C ATOM 254 CG1 VAL A 15 8.665 -4.043 25.620 1.00 0.00 C ATOM 255 CG2 VAL A 15 10.244 -3.030 27.304 1.00 0.00 C ATOM 0 H VAL A 15 12.717 -3.082 25.991 1.00 0.00 H new ATOM 0 HA VAL A 15 10.824 -5.339 25.518 1.00 0.00 H new ATOM 0 HB VAL A 15 10.070 -2.481 25.250 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.887 -3.371 25.982 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.515 -4.233 24.557 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.615 -4.984 26.167 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.435 -2.378 27.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.249 -3.936 27.910 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.196 -2.512 27.417 1.00 0.00 H new ATOM 265 N ARG A 16 11.713 -5.313 23.214 1.00 0.00 N ATOM 266 CA ARG A 16 11.985 -5.334 21.786 1.00 0.00 C ATOM 267 C ARG A 16 10.694 -5.583 21.004 1.00 0.00 C ATOM 268 O ARG A 16 10.193 -6.706 20.965 1.00 0.00 O ATOM 269 CB ARG A 16 13.003 -6.421 21.436 1.00 0.00 C ATOM 270 CG ARG A 16 14.425 -5.968 21.771 1.00 0.00 C ATOM 271 CD ARG A 16 15.459 -6.789 20.998 1.00 0.00 C ATOM 272 NE ARG A 16 15.377 -6.476 19.553 1.00 0.00 N ATOM 273 CZ ARG A 16 16.036 -7.158 18.592 1.00 0.00 C ATOM 274 NH1 ARG A 16 16.833 -8.198 18.915 1.00 0.00 N ATOM 275 NH2 ARG A 16 15.889 -6.791 17.333 1.00 0.00 N ATOM 0 H ARG A 16 11.771 -6.222 23.673 1.00 0.00 H new ATOM 0 HA ARG A 16 12.398 -4.363 21.512 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.769 -7.333 21.985 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.934 -6.661 20.375 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.540 -4.911 21.529 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.600 -6.071 22.842 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.460 -6.571 21.369 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.284 -7.853 21.158 1.00 0.00 H new ATOM 0 HE ARG A 16 14.786 -5.696 19.266 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.941 -8.474 19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.327 -8.708 18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.285 -6.003 17.099 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.379 -7.295 16.594 1.00 0.00 H new ATOM 288 N TYR A 17 10.191 -4.517 20.399 1.00 0.00 N ATOM 289 CA TYR A 17 8.968 -4.605 19.620 1.00 0.00 C ATOM 290 C TYR A 17 9.275 -4.880 18.146 1.00 0.00 C ATOM 291 O TYR A 17 10.371 -4.585 17.672 1.00 0.00 O ATOM 292 CB TYR A 17 8.291 -3.239 19.741 1.00 0.00 C ATOM 293 CG TYR A 17 6.764 -3.291 19.661 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.026 -3.627 20.777 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.125 -3.003 18.472 1.00 0.00 C ATOM 296 CE1 TYR A 17 4.588 -3.677 20.702 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.688 -3.053 18.397 1.00 0.00 C ATOM 298 CZ TYR A 17 3.990 -3.387 19.515 1.00 0.00 C ATOM 299 OH TYR A 17 2.633 -3.434 19.444 1.00 0.00 O ATOM 0 H TYR A 17 10.609 -3.587 20.433 1.00 0.00 H new ATOM 0 HA TYR A 17 8.339 -5.417 19.985 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.579 -2.785 20.689 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.664 -2.589 18.950 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.526 -3.853 21.707 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.703 -2.740 17.598 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.998 -3.939 21.568 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.176 -2.830 17.473 1.00 0.00 H new ATOM 0 HH TYR A 17 2.345 -3.203 18.536 1.00 0.00 H new ATOM 309 N ARG A 18 8.289 -5.442 17.464 1.00 0.00 N ATOM 310 CA ARG A 18 8.440 -5.760 16.054 1.00 0.00 C ATOM 311 C ARG A 18 7.087 -5.684 15.345 1.00 0.00 C ATOM 312 O ARG A 18 6.057 -5.473 15.984 1.00 0.00 O ATOM 313 CB ARG A 18 9.029 -7.160 15.865 1.00 0.00 C ATOM 314 CG ARG A 18 10.558 -7.115 15.865 1.00 0.00 C ATOM 315 CD ARG A 18 11.147 -8.474 16.252 1.00 0.00 C ATOM 316 NE ARG A 18 11.421 -9.272 15.036 1.00 0.00 N ATOM 317 CZ ARG A 18 11.798 -10.568 15.051 1.00 0.00 C ATOM 318 NH1 ARG A 18 11.949 -11.224 16.221 1.00 0.00 N ATOM 319 NH2 ARG A 18 12.016 -11.183 13.904 1.00 0.00 N ATOM 0 H ARG A 18 7.382 -5.686 17.861 1.00 0.00 H new ATOM 0 HA ARG A 18 9.123 -5.029 15.621 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.681 -7.816 16.663 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.674 -7.584 14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.917 -6.827 14.877 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.903 -6.353 16.564 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.067 -8.333 16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.453 -9.009 16.899 1.00 0.00 H new ATOM 0 HE ARG A 18 11.319 -8.814 14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.778 -10.740 17.103 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.234 -12.203 16.223 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.899 -10.679 13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.302 -12.162 13.897 1.00 0.00 H new ATOM 332 N ARG A 19 7.132 -5.861 14.032 1.00 0.00 N ATOM 333 CA ARG A 19 5.922 -5.815 13.229 1.00 0.00 C ATOM 334 C ARG A 19 6.255 -6.042 11.753 1.00 0.00 C ATOM 335 O ARG A 19 7.383 -5.804 11.324 1.00 0.00 O ATOM 336 CB ARG A 19 5.210 -4.469 13.382 1.00 0.00 C ATOM 337 CG ARG A 19 3.697 -4.628 13.223 1.00 0.00 C ATOM 338 CD ARG A 19 3.273 -4.411 11.768 1.00 0.00 C ATOM 339 NE ARG A 19 2.201 -3.393 11.700 1.00 0.00 N ATOM 340 CZ ARG A 19 2.318 -2.138 12.184 1.00 0.00 C ATOM 341 NH1 ARG A 19 3.462 -1.736 12.776 1.00 0.00 N ATOM 342 NH2 ARG A 19 1.296 -1.310 12.069 1.00 0.00 N ATOM 0 H ARG A 19 7.987 -6.036 13.505 1.00 0.00 H new ATOM 0 HA ARG A 19 5.260 -6.606 13.582 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.434 -4.044 14.361 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.586 -3.768 12.637 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.396 -5.624 13.549 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.183 -3.913 13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.129 -4.090 11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.922 -5.350 11.339 1.00 0.00 H new ATOM 0 HE ARG A 19 1.319 -3.656 11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.247 -2.382 12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.542 -0.786 13.139 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.435 -1.622 11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.368 -0.358 12.429 1.00 0.00 H new ATOM 355 N CYS A 20 5.254 -6.501 11.017 1.00 0.00 N ATOM 356 CA CYS A 20 5.427 -6.764 9.599 1.00 0.00 C ATOM 357 C CYS A 20 4.095 -6.498 8.895 1.00 0.00 C ATOM 358 O CYS A 20 3.035 -6.573 9.515 1.00 0.00 O ATOM 359 CB CYS A 20 5.933 -8.185 9.344 1.00 0.00 C ATOM 360 SG CYS A 20 7.731 -8.416 9.593 1.00 0.00 S ATOM 0 H CYS A 20 4.320 -6.698 11.376 1.00 0.00 H new ATOM 0 HA CYS A 20 6.190 -6.099 9.194 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.398 -8.870 10.003 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.683 -8.466 8.321 1.00 0.00 H new ATOM 365 N TRP A 21 4.192 -6.192 7.609 1.00 0.00 N ATOM 366 CA TRP A 21 3.008 -5.914 6.814 1.00 0.00 C ATOM 367 C TRP A 21 2.500 -7.240 6.244 1.00 0.00 C ATOM 368 O TRP A 21 1.789 -7.980 6.922 1.00 0.00 O ATOM 369 CB TRP A 21 3.304 -4.873 5.734 1.00 0.00 C ATOM 370 CG TRP A 21 2.127 -3.947 5.421 1.00 0.00 C ATOM 371 CD1 TRP A 21 1.594 -3.665 4.225 1.00 0.00 C ATOM 372 CD2 TRP A 21 1.352 -3.190 6.375 1.00 0.00 C ATOM 373 NE1 TRP A 21 0.538 -2.784 4.336 1.00 0.00 N ATOM 374 CE2 TRP A 21 0.386 -2.486 5.685 1.00 0.00 C ATOM 375 CE3 TRP A 21 1.464 -3.102 7.774 1.00 0.00 C ATOM 376 CZ2 TRP A 21 -0.543 -1.645 6.310 1.00 0.00 C ATOM 377 CZ3 TRP A 21 0.529 -2.257 8.383 1.00 0.00 C ATOM 378 CH2 TRP A 21 -0.450 -1.542 7.704 1.00 0.00 C ATOM 0 H TRP A 21 5.073 -6.131 7.098 1.00 0.00 H new ATOM 0 HA TRP A 21 2.223 -5.476 7.431 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.154 -4.269 6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.601 -5.387 4.820 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.947 -4.076 3.291 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.027 -2.419 3.569 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.212 -3.643 8.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.291 -1.105 5.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.572 -2.153 9.457 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.136 -0.910 8.248 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 6.421 -0.634 5.303 1.00 0.00 N ATOM 391 CA ARG B 31 7.619 0.189 5.301 1.00 0.00 C ATOM 392 C ARG B 31 8.655 -0.381 6.273 1.00 0.00 C ATOM 393 O ARG B 31 8.447 -1.445 6.854 1.00 0.00 O ATOM 394 CB ARG B 31 7.297 1.631 5.698 1.00 0.00 C ATOM 395 CG ARG B 31 6.814 2.437 4.490 1.00 0.00 C ATOM 396 CD ARG B 31 5.309 2.260 4.279 1.00 0.00 C ATOM 397 NE ARG B 31 4.563 3.208 5.136 1.00 0.00 N ATOM 398 CZ ARG B 31 3.225 3.384 5.083 1.00 0.00 C ATOM 399 NH1 ARG B 31 2.475 2.676 4.212 1.00 0.00 N ATOM 400 NH2 ARG B 31 2.662 4.258 5.896 1.00 0.00 N ATOM 0 HA ARG B 31 8.023 0.185 4.289 1.00 0.00 H new ATOM 0 HB2 ARG B 31 6.531 1.636 6.473 1.00 0.00 H new ATOM 0 HB3 ARG B 31 8.184 2.102 6.123 1.00 0.00 H new ATOM 0 HG2 ARG B 31 7.042 3.493 4.638 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.350 2.117 3.597 1.00 0.00 H new ATOM 0 HD2 ARG B 31 5.058 2.429 3.232 1.00 0.00 H new ATOM 0 HD3 ARG B 31 5.018 1.237 4.516 1.00 0.00 H new ATOM 0 HE ARG B 31 5.092 3.763 5.809 1.00 0.00 H new ATOM 0 HH11 ARG B 31 2.918 2.002 3.588 1.00 0.00 H new ATOM 0 HH12 ARG B 31 1.465 2.815 4.178 1.00 0.00 H new ATOM 0 HH21 ARG B 31 3.236 4.788 6.551 1.00 0.00 H new ATOM 0 HH22 ARG B 31 1.653 4.403 5.869 1.00 0.00 H new ATOM 413 N TRP B 32 9.748 0.353 6.419 1.00 0.00 N ATOM 414 CA TRP B 32 10.817 -0.066 7.310 1.00 0.00 C ATOM 415 C TRP B 32 10.907 0.950 8.451 1.00 0.00 C ATOM 416 O TRP B 32 11.692 1.895 8.385 1.00 0.00 O ATOM 417 CB TRP B 32 12.134 -0.227 6.549 1.00 0.00 C ATOM 418 CG TRP B 32 12.367 -1.637 6.002 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.398 -2.031 4.722 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.603 -2.832 6.777 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.636 -3.386 4.615 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.764 -3.889 5.905 1.00 0.00 C ATOM 423 CE3 TRP B 32 12.678 -3.013 8.170 1.00 0.00 C ATOM 424 CZ2 TRP B 32 13.010 -5.201 6.327 1.00 0.00 C ATOM 425 CZ3 TRP B 32 12.924 -4.330 8.575 1.00 0.00 C ATOM 426 CH2 TRP B 32 13.088 -5.405 7.710 1.00 0.00 C ATOM 0 H TRP B 32 9.917 1.235 5.936 1.00 0.00 H new ATOM 0 HA TRP B 32 10.603 -1.048 7.733 1.00 0.00 H new ATOM 0 HB2 TRP B 32 12.152 0.481 5.720 1.00 0.00 H new ATOM 0 HB3 TRP B 32 12.959 0.036 7.211 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.255 -1.371 3.879 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.705 -3.920 3.749 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.556 -2.201 8.871 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.133 -6.012 5.624 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.991 -4.525 9.635 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.275 -6.394 8.103 1.00 0.00 H new ATOM 437 N CYS B 33 10.092 0.721 9.470 1.00 0.00 N ATOM 438 CA CYS B 33 10.070 1.605 10.624 1.00 0.00 C ATOM 439 C CYS B 33 11.109 1.107 11.630 1.00 0.00 C ATOM 440 O CYS B 33 11.409 -0.085 11.680 1.00 0.00 O ATOM 441 CB CYS B 33 8.673 1.692 11.242 1.00 0.00 C ATOM 442 SG CYS B 33 7.629 3.047 10.591 1.00 0.00 S ATOM 0 H CYS B 33 9.442 -0.063 9.521 1.00 0.00 H new ATOM 0 HA CYS B 33 10.323 2.619 10.314 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.159 0.745 11.078 1.00 0.00 H new ATOM 0 HB3 CYS B 33 8.775 1.817 12.320 1.00 0.00 H new ATOM 447 N VAL B 34 11.631 2.046 12.406 1.00 0.00 N ATOM 448 CA VAL B 34 12.631 1.718 13.408 1.00 0.00 C ATOM 449 C VAL B 34 12.524 2.706 14.571 1.00 0.00 C ATOM 450 O VAL B 34 12.669 3.912 14.381 1.00 0.00 O ATOM 451 CB VAL B 34 14.021 1.692 12.771 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.002 0.934 11.442 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.565 3.110 12.585 1.00 0.00 C ATOM 0 H VAL B 34 11.380 3.034 12.361 1.00 0.00 H new ATOM 0 HA VAL B 34 12.455 0.721 13.812 1.00 0.00 H new ATOM 0 HB VAL B 34 14.690 1.162 13.449 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.003 0.931 11.011 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.677 -0.092 11.613 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.312 1.423 10.754 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.555 3.063 12.130 1.00 0.00 H new ATOM 0 HG22 VAL B 34 13.894 3.675 11.938 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.634 3.603 13.555 1.00 0.00 H new ATOM 463 N TYR B 35 12.271 2.157 15.751 1.00 0.00 N ATOM 464 CA TYR B 35 12.143 2.975 16.945 1.00 0.00 C ATOM 465 C TYR B 35 12.711 2.252 18.168 1.00 0.00 C ATOM 466 O TYR B 35 12.187 1.220 18.583 1.00 0.00 O ATOM 467 CB TYR B 35 10.643 3.193 17.148 1.00 0.00 C ATOM 468 CG TYR B 35 10.293 4.520 17.826 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.308 4.616 19.202 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.963 5.620 17.060 1.00 0.00 C ATOM 471 CE1 TYR B 35 9.979 5.864 19.840 1.00 0.00 C ATOM 472 CE2 TYR B 35 9.633 6.868 17.698 1.00 0.00 C ATOM 473 CZ TYR B 35 9.658 6.929 19.057 1.00 0.00 C ATOM 474 OH TYR B 35 9.347 8.108 19.659 1.00 0.00 O ATOM 0 H TYR B 35 12.151 1.156 15.905 1.00 0.00 H new ATOM 0 HA TYR B 35 12.690 3.911 16.829 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.146 3.149 16.179 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.245 2.374 17.748 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.567 3.755 19.801 1.00 0.00 H new ATOM 0 HD2 TYR B 35 9.952 5.545 15.983 1.00 0.00 H new ATOM 0 HE1 TYR B 35 9.987 5.953 20.916 1.00 0.00 H new ATOM 0 HE2 TYR B 35 9.372 7.736 17.111 1.00 0.00 H new ATOM 0 HH TYR B 35 9.140 8.780 18.976 1.00 0.00 H new ATOM 484 N ALA B 36 13.777 2.823 18.711 1.00 0.00 N ATOM 485 CA ALA B 36 14.421 2.246 19.878 1.00 0.00 C ATOM 486 C ALA B 36 14.702 3.351 20.899 1.00 0.00 C ATOM 487 O ALA B 36 14.779 4.526 20.542 1.00 0.00 O ATOM 488 CB ALA B 36 15.694 1.513 19.449 1.00 0.00 C ATOM 0 H ALA B 36 14.210 3.679 18.364 1.00 0.00 H new ATOM 0 HA ALA B 36 13.768 1.515 20.354 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.177 1.080 20.325 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.438 0.720 18.747 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.375 2.216 18.970 1.00 0.00 H new ATOM 494 N TYR B 37 14.846 2.935 22.149 1.00 0.00 N ATOM 495 CA TYR B 37 15.116 3.875 23.224 1.00 0.00 C ATOM 496 C TYR B 37 16.004 3.241 24.296 1.00 0.00 C ATOM 497 O TYR B 37 15.512 2.801 25.334 1.00 0.00 O ATOM 498 CB TYR B 37 13.757 4.214 23.839 1.00 0.00 C ATOM 499 CG TYR B 37 13.763 5.476 24.704 1.00 0.00 C ATOM 500 CD1 TYR B 37 14.248 5.425 25.995 1.00 0.00 C ATOM 501 CD2 TYR B 37 13.282 6.665 24.193 1.00 0.00 C ATOM 502 CE1 TYR B 37 14.254 6.613 26.809 1.00 0.00 C ATOM 503 CE2 TYR B 37 13.288 7.852 25.007 1.00 0.00 C ATOM 504 CZ TYR B 37 13.773 7.768 26.275 1.00 0.00 C ATOM 505 OH TYR B 37 13.778 8.890 27.044 1.00 0.00 O ATOM 0 H TYR B 37 14.781 1.960 22.441 1.00 0.00 H new ATOM 0 HA TYR B 37 15.634 4.755 22.843 1.00 0.00 H new ATOM 0 HB2 TYR B 37 13.028 4.338 23.038 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.424 3.372 24.445 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.623 4.494 26.395 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.901 6.704 23.183 1.00 0.00 H new ATOM 0 HE1 TYR B 37 14.632 6.588 27.820 1.00 0.00 H new ATOM 0 HE2 TYR B 37 12.916 8.789 24.620 1.00 0.00 H new ATOM 0 HH TYR B 37 13.497 9.658 26.504 1.00 0.00 H new ATOM 515 N VAL B 38 17.297 3.214 24.009 1.00 0.00 N ATOM 516 CA VAL B 38 18.258 2.641 24.936 1.00 0.00 C ATOM 517 C VAL B 38 19.009 3.769 25.647 1.00 0.00 C ATOM 518 O VAL B 38 19.389 4.757 25.021 1.00 0.00 O ATOM 519 CB VAL B 38 19.188 1.677 24.196 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.250 1.108 25.139 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.393 0.556 23.524 1.00 0.00 C ATOM 0 H VAL B 38 17.702 3.580 23.147 1.00 0.00 H new ATOM 0 HA VAL B 38 17.748 2.056 25.702 1.00 0.00 H new ATOM 0 HB VAL B 38 19.700 2.238 23.415 1.00 0.00 H new ATOM 0 HG11 VAL B 38 20.898 0.426 24.588 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.846 1.923 25.549 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.764 0.569 25.952 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.078 -0.115 23.005 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.841 -0.002 24.280 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.693 0.986 22.807 1.00 0.00 H new ATOM 531 N ARG B 39 19.201 3.582 26.945 1.00 0.00 N ATOM 532 CA ARG B 39 19.899 4.572 27.747 1.00 0.00 C ATOM 533 C ARG B 39 21.040 3.914 28.526 1.00 0.00 C ATOM 534 O ARG B 39 20.874 2.827 29.078 1.00 0.00 O ATOM 535 CB ARG B 39 18.947 5.255 28.731 1.00 0.00 C ATOM 536 CG ARG B 39 19.400 6.686 29.029 1.00 0.00 C ATOM 537 CD ARG B 39 18.456 7.364 30.023 1.00 0.00 C ATOM 538 NE ARG B 39 18.984 7.226 31.399 1.00 0.00 N ATOM 539 CZ ARG B 39 18.371 7.714 32.498 1.00 0.00 C ATOM 540 NH1 ARG B 39 17.200 8.378 32.391 1.00 0.00 N ATOM 541 NH2 ARG B 39 18.933 7.532 33.678 1.00 0.00 N ATOM 0 H ARG B 39 18.886 2.760 27.460 1.00 0.00 H new ATOM 0 HA ARG B 39 20.303 5.324 27.069 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.939 5.268 28.317 1.00 0.00 H new ATOM 0 HB3 ARG B 39 18.904 4.683 29.658 1.00 0.00 H new ATOM 0 HG2 ARG B 39 20.412 6.674 29.433 1.00 0.00 H new ATOM 0 HG3 ARG B 39 19.433 7.261 28.104 1.00 0.00 H new ATOM 0 HD2 ARG B 39 18.346 8.419 29.771 1.00 0.00 H new ATOM 0 HD3 ARG B 39 17.464 6.916 29.959 1.00 0.00 H new ATOM 0 HE ARG B 39 19.867 6.731 31.525 1.00 0.00 H new ATOM 0 HH11 ARG B 39 16.773 8.514 31.475 1.00 0.00 H new ATOM 0 HH12 ARG B 39 16.743 8.744 33.226 1.00 0.00 H new ATOM 0 HH21 ARG B 39 19.817 7.029 33.750 1.00 0.00 H new ATOM 0 HH22 ARG B 39 18.483 7.894 34.519 1.00 0.00 H new ATOM 554 N ILE B 40 22.174 4.600 28.545 1.00 0.00 N ATOM 555 CA ILE B 40 23.342 4.095 29.247 1.00 0.00 C ATOM 556 C ILE B 40 24.049 5.255 29.951 1.00 0.00 C ATOM 557 O ILE B 40 24.177 6.342 29.389 1.00 0.00 O ATOM 558 CB ILE B 40 24.246 3.314 28.291 1.00 0.00 C ATOM 559 CG1 ILE B 40 23.419 2.435 27.350 1.00 0.00 C ATOM 560 CG2 ILE B 40 25.290 2.505 29.062 1.00 0.00 C ATOM 561 CD1 ILE B 40 24.229 1.227 26.875 1.00 0.00 C ATOM 0 H ILE B 40 22.309 5.501 28.086 1.00 0.00 H new ATOM 0 HA ILE B 40 23.045 3.385 30.019 1.00 0.00 H new ATOM 0 HB ILE B 40 24.787 4.029 27.671 1.00 0.00 H new ATOM 0 HG12 ILE B 40 22.519 2.095 27.862 1.00 0.00 H new ATOM 0 HG13 ILE B 40 23.095 3.021 26.490 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.919 1.959 28.359 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.908 3.180 29.654 1.00 0.00 H new ATOM 0 HG23 ILE B 40 24.788 1.799 29.723 1.00 0.00 H new ATOM 0 HD11 ILE B 40 23.618 0.619 26.208 1.00 0.00 H new ATOM 0 HD12 ILE B 40 25.116 1.570 26.343 1.00 0.00 H new ATOM 0 HD13 ILE B 40 24.531 0.630 27.736 1.00 0.00 H new ATOM 573 N ARG B 41 24.488 4.985 31.171 1.00 0.00 N ATOM 574 CA ARG B 41 25.179 5.993 31.958 1.00 0.00 C ATOM 575 C ARG B 41 24.287 7.222 32.146 1.00 0.00 C ATOM 576 O ARG B 41 23.634 7.368 33.178 1.00 0.00 O ATOM 577 CB ARG B 41 26.486 6.417 31.285 1.00 0.00 C ATOM 578 CG ARG B 41 27.536 5.308 31.380 1.00 0.00 C ATOM 579 CD ARG B 41 27.753 4.881 32.833 1.00 0.00 C ATOM 580 NE ARG B 41 27.807 6.073 33.708 1.00 0.00 N ATOM 581 CZ ARG B 41 27.578 6.046 35.038 1.00 0.00 C ATOM 582 NH1 ARG B 41 27.278 4.886 35.658 1.00 0.00 N ATOM 583 NH2 ARG B 41 27.652 7.172 35.723 1.00 0.00 N ATOM 0 H ARG B 41 24.379 4.083 31.634 1.00 0.00 H new ATOM 0 HA ARG B 41 25.410 5.555 32.929 1.00 0.00 H new ATOM 0 HB2 ARG B 41 26.299 6.657 30.238 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.865 7.323 31.757 1.00 0.00 H new ATOM 0 HG2 ARG B 41 27.218 4.449 30.789 1.00 0.00 H new ATOM 0 HG3 ARG B 41 28.477 5.656 30.955 1.00 0.00 H new ATOM 0 HD2 ARG B 41 26.945 4.222 33.152 1.00 0.00 H new ATOM 0 HD3 ARG B 41 28.680 4.314 32.919 1.00 0.00 H new ATOM 0 HE ARG B 41 28.031 6.971 33.279 1.00 0.00 H new ATOM 0 HH11 ARG B 41 27.223 4.020 35.121 1.00 0.00 H new ATOM 0 HH12 ARG B 41 27.106 4.875 36.663 1.00 0.00 H new ATOM 0 HH21 ARG B 41 27.879 8.045 35.247 1.00 0.00 H new ATOM 0 HH22 ARG B 41 27.482 7.169 36.729 1.00 0.00 H new ATOM 596 N GLY B 42 24.290 8.076 31.133 1.00 0.00 N ATOM 597 CA GLY B 42 23.490 9.288 31.173 1.00 0.00 C ATOM 598 C GLY B 42 23.216 9.811 29.762 1.00 0.00 C ATOM 599 O GLY B 42 22.968 11.002 29.575 1.00 0.00 O ATOM 0 H GLY B 42 24.834 7.952 30.279 1.00 0.00 H new ATOM 0 HA2 GLY B 42 22.546 9.088 31.680 1.00 0.00 H new ATOM 0 HA3 GLY B 42 24.009 10.051 31.753 1.00 0.00 H new ATOM 603 N VAL B 43 23.270 8.897 28.805 1.00 0.00 N ATOM 604 CA VAL B 43 23.031 9.251 27.416 1.00 0.00 C ATOM 605 C VAL B 43 21.895 8.388 26.862 1.00 0.00 C ATOM 606 O VAL B 43 21.957 7.161 26.922 1.00 0.00 O ATOM 607 CB VAL B 43 24.327 9.122 26.613 1.00 0.00 C ATOM 608 CG1 VAL B 43 24.358 10.126 25.459 1.00 0.00 C ATOM 609 CG2 VAL B 43 25.551 9.285 27.516 1.00 0.00 C ATOM 0 H VAL B 43 23.476 7.911 28.964 1.00 0.00 H new ATOM 0 HA VAL B 43 22.717 10.292 27.335 1.00 0.00 H new ATOM 0 HB VAL B 43 24.359 8.120 26.186 1.00 0.00 H new ATOM 0 HG11 VAL B 43 25.289 10.014 24.904 1.00 0.00 H new ATOM 0 HG12 VAL B 43 23.515 9.942 24.794 1.00 0.00 H new ATOM 0 HG13 VAL B 43 24.292 11.139 25.856 1.00 0.00 H new ATOM 0 HG21 VAL B 43 26.458 9.189 26.920 1.00 0.00 H new ATOM 0 HG22 VAL B 43 25.528 10.268 27.986 1.00 0.00 H new ATOM 0 HG23 VAL B 43 25.540 8.514 28.287 1.00 0.00 H new ATOM 619 N LEU B 44 20.885 9.064 26.335 1.00 0.00 N ATOM 620 CA LEU B 44 19.737 8.375 25.771 1.00 0.00 C ATOM 621 C LEU B 44 19.872 8.331 24.248 1.00 0.00 C ATOM 622 O LEU B 44 19.906 9.372 23.594 1.00 0.00 O ATOM 623 CB LEU B 44 18.435 9.017 26.255 1.00 0.00 C ATOM 624 CG LEU B 44 17.252 8.944 25.288 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.906 7.493 24.951 1.00 0.00 C ATOM 626 CD2 LEU B 44 16.046 9.708 25.839 1.00 0.00 C ATOM 0 H LEU B 44 20.838 10.082 26.287 1.00 0.00 H new ATOM 0 HA LEU B 44 19.704 7.342 26.119 1.00 0.00 H new ATOM 0 HB2 LEU B 44 18.144 8.540 27.191 1.00 0.00 H new ATOM 0 HB3 LEU B 44 18.631 10.065 26.479 1.00 0.00 H new ATOM 0 HG LEU B 44 17.543 9.429 24.356 1.00 0.00 H new ATOM 0 HD11 LEU B 44 16.062 7.471 24.262 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.767 7.012 24.486 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.643 6.960 25.865 1.00 0.00 H new ATOM 0 HD21 LEU B 44 15.219 9.640 25.132 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.745 9.274 26.793 1.00 0.00 H new ATOM 0 HD23 LEU B 44 16.314 10.754 25.985 1.00 0.00 H new ATOM 638 N VAL B 45 19.944 7.115 23.727 1.00 0.00 N ATOM 639 CA VAL B 45 20.075 6.922 22.292 1.00 0.00 C ATOM 640 C VAL B 45 18.760 6.372 21.735 1.00 0.00 C ATOM 641 O VAL B 45 18.549 5.161 21.714 1.00 0.00 O ATOM 642 CB VAL B 45 21.275 6.021 21.993 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.744 6.196 20.547 1.00 0.00 C ATOM 644 CG2 VAL B 45 22.417 6.284 22.976 1.00 0.00 C ATOM 0 H VAL B 45 19.914 6.254 24.272 1.00 0.00 H new ATOM 0 HA VAL B 45 20.267 7.872 21.794 1.00 0.00 H new ATOM 0 HB VAL B 45 20.957 4.986 22.119 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.598 5.545 20.360 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.933 5.935 19.867 1.00 0.00 H new ATOM 0 HG13 VAL B 45 22.036 7.233 20.382 1.00 0.00 H new ATOM 0 HG21 VAL B 45 23.257 5.630 22.741 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.733 7.324 22.897 1.00 0.00 H new ATOM 0 HG23 VAL B 45 22.076 6.085 23.992 1.00 0.00 H new ATOM 654 N ARG B 46 17.911 7.290 21.296 1.00 0.00 N ATOM 655 CA ARG B 46 16.623 6.912 20.739 1.00 0.00 C ATOM 656 C ARG B 46 16.598 7.175 19.232 1.00 0.00 C ATOM 657 O ARG B 46 16.791 8.308 18.793 1.00 0.00 O ATOM 658 CB ARG B 46 15.486 7.690 21.405 1.00 0.00 C ATOM 659 CG ARG B 46 15.964 9.066 21.873 1.00 0.00 C ATOM 660 CD ARG B 46 14.824 9.848 22.528 1.00 0.00 C ATOM 661 NE ARG B 46 13.917 10.388 21.490 1.00 0.00 N ATOM 662 CZ ARG B 46 12.768 11.044 21.756 1.00 0.00 C ATOM 663 NH1 ARG B 46 12.374 11.248 23.031 1.00 0.00 N ATOM 664 NH2 ARG B 46 12.034 11.483 20.750 1.00 0.00 N ATOM 0 H ARG B 46 18.090 8.294 21.315 1.00 0.00 H new ATOM 0 HA ARG B 46 16.479 5.848 20.927 1.00 0.00 H new ATOM 0 HB2 ARG B 46 14.661 7.807 20.703 1.00 0.00 H new ATOM 0 HB3 ARG B 46 15.103 7.125 22.255 1.00 0.00 H new ATOM 0 HG2 ARG B 46 16.784 8.949 22.582 1.00 0.00 H new ATOM 0 HG3 ARG B 46 16.354 9.627 21.024 1.00 0.00 H new ATOM 0 HD2 ARG B 46 14.269 9.199 23.205 1.00 0.00 H new ATOM 0 HD3 ARG B 46 15.229 10.663 23.128 1.00 0.00 H new ATOM 0 HE ARG B 46 14.177 10.256 20.513 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.946 10.905 23.803 1.00 0.00 H new ATOM 0 HH12 ARG B 46 11.504 11.745 23.223 1.00 0.00 H new ATOM 0 HH21 ARG B 46 12.338 11.324 19.789 1.00 0.00 H new ATOM 0 HH22 ARG B 46 11.163 11.981 20.933 1.00 0.00 H new ATOM 677 N TYR B 47 16.359 6.110 18.482 1.00 0.00 N ATOM 678 CA TYR B 47 16.306 6.212 17.033 1.00 0.00 C ATOM 679 C TYR B 47 14.859 6.261 16.539 1.00 0.00 C ATOM 680 O TYR B 47 13.982 5.613 17.109 1.00 0.00 O ATOM 681 CB TYR B 47 16.973 4.944 16.497 1.00 0.00 C ATOM 682 CG TYR B 47 17.149 4.928 14.977 1.00 0.00 C ATOM 683 CD1 TYR B 47 17.273 6.115 14.285 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.184 3.727 14.299 1.00 0.00 C ATOM 685 CE1 TYR B 47 17.439 6.101 12.854 1.00 0.00 C ATOM 686 CE2 TYR B 47 17.350 3.712 12.868 1.00 0.00 C ATOM 687 CZ TYR B 47 17.469 4.900 12.217 1.00 0.00 C ATOM 688 OH TYR B 47 17.626 4.886 10.866 1.00 0.00 O ATOM 0 H TYR B 47 16.200 5.172 18.850 1.00 0.00 H new ATOM 0 HA TYR B 47 16.802 7.121 16.694 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.950 4.834 16.967 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.378 4.080 16.793 1.00 0.00 H new ATOM 0 HD1 TYR B 47 17.246 7.055 14.816 1.00 0.00 H new ATOM 0 HD2 TYR B 47 17.087 2.798 14.841 1.00 0.00 H new ATOM 0 HE1 TYR B 47 17.537 7.023 12.300 1.00 0.00 H new ATOM 0 HE2 TYR B 47 17.379 2.779 12.325 1.00 0.00 H new ATOM 0 HH TYR B 47 17.630 3.959 10.547 1.00 0.00 H new ATOM 698 N ARG B 48 14.653 7.035 15.484 1.00 0.00 N ATOM 699 CA ARG B 48 13.328 7.177 14.907 1.00 0.00 C ATOM 700 C ARG B 48 13.429 7.456 13.406 1.00 0.00 C ATOM 701 O ARG B 48 14.017 8.455 12.994 1.00 0.00 O ATOM 702 CB ARG B 48 12.553 8.313 15.578 1.00 0.00 C ATOM 703 CG ARG B 48 13.407 9.579 15.670 1.00 0.00 C ATOM 704 CD ARG B 48 13.008 10.422 16.883 1.00 0.00 C ATOM 705 NE ARG B 48 13.109 11.862 16.554 1.00 0.00 N ATOM 706 CZ ARG B 48 12.447 12.837 17.211 1.00 0.00 C ATOM 707 NH1 ARG B 48 11.628 12.535 18.241 1.00 0.00 N ATOM 708 NH2 ARG B 48 12.611 14.091 16.832 1.00 0.00 N ATOM 0 H ARG B 48 15.382 7.571 15.014 1.00 0.00 H new ATOM 0 HA ARG B 48 12.794 6.241 15.071 1.00 0.00 H new ATOM 0 HB2 ARG B 48 11.645 8.523 15.012 1.00 0.00 H new ATOM 0 HB3 ARG B 48 12.242 8.006 16.577 1.00 0.00 H new ATOM 0 HG2 ARG B 48 14.460 9.307 15.742 1.00 0.00 H new ATOM 0 HG3 ARG B 48 13.291 10.167 14.760 1.00 0.00 H new ATOM 0 HD2 ARG B 48 11.989 10.180 17.185 1.00 0.00 H new ATOM 0 HD3 ARG B 48 13.655 10.187 17.728 1.00 0.00 H new ATOM 0 HE ARG B 48 13.717 12.134 15.782 1.00 0.00 H new ATOM 0 HH11 ARG B 48 11.506 11.564 18.528 1.00 0.00 H new ATOM 0 HH12 ARG B 48 11.131 13.278 18.732 1.00 0.00 H new ATOM 0 HH21 ARG B 48 13.231 14.311 16.053 1.00 0.00 H new ATOM 0 HH22 ARG B 48 12.118 14.840 17.319 1.00 0.00 H new ATOM 721 N ARG B 49 12.847 6.554 12.628 1.00 0.00 N ATOM 722 CA ARG B 49 12.865 6.691 11.182 1.00 0.00 C ATOM 723 C ARG B 49 12.094 5.541 10.531 1.00 0.00 C ATOM 724 O ARG B 49 12.049 4.435 11.069 1.00 0.00 O ATOM 725 CB ARG B 49 14.298 6.702 10.647 1.00 0.00 C ATOM 726 CG ARG B 49 14.331 7.112 9.173 1.00 0.00 C ATOM 727 CD ARG B 49 13.951 5.938 8.269 1.00 0.00 C ATOM 728 NE ARG B 49 15.056 5.646 7.328 1.00 0.00 N ATOM 729 CZ ARG B 49 15.282 4.433 6.779 1.00 0.00 C ATOM 730 NH1 ARG B 49 14.479 3.388 7.072 1.00 0.00 N ATOM 731 NH2 ARG B 49 16.299 4.285 5.951 1.00 0.00 N ATOM 0 H ARG B 49 12.361 5.726 12.972 1.00 0.00 H new ATOM 0 HA ARG B 49 12.389 7.640 10.933 1.00 0.00 H new ATOM 0 HB2 ARG B 49 14.904 7.393 11.234 1.00 0.00 H new ATOM 0 HB3 ARG B 49 14.741 5.713 10.763 1.00 0.00 H new ATOM 0 HG2 ARG B 49 13.643 7.941 9.007 1.00 0.00 H new ATOM 0 HG3 ARG B 49 15.328 7.468 8.913 1.00 0.00 H new ATOM 0 HD2 ARG B 49 13.735 5.057 8.874 1.00 0.00 H new ATOM 0 HD3 ARG B 49 13.043 6.174 7.714 1.00 0.00 H new ATOM 0 HE ARG B 49 15.686 6.409 7.079 1.00 0.00 H new ATOM 0 HH11 ARG B 49 13.695 3.511 7.712 1.00 0.00 H new ATOM 0 HH12 ARG B 49 14.657 2.475 6.653 1.00 0.00 H new ATOM 0 HH21 ARG B 49 16.900 5.080 5.734 1.00 0.00 H new ATOM 0 HH22 ARG B 49 16.484 3.376 5.528 1.00 0.00 H new ATOM 744 N CYS B 50 11.506 5.840 9.382 1.00 0.00 N ATOM 745 CA CYS B 50 10.739 4.845 8.652 1.00 0.00 C ATOM 746 C CYS B 50 10.995 5.043 7.157 1.00 0.00 C ATOM 747 O CYS B 50 11.005 6.172 6.669 1.00 0.00 O ATOM 748 CB CYS B 50 9.249 4.920 8.990 1.00 0.00 C ATOM 749 SG CYS B 50 8.857 4.762 10.771 1.00 0.00 S ATOM 0 H CYS B 50 11.545 6.758 8.938 1.00 0.00 H new ATOM 0 HA CYS B 50 11.062 3.846 8.946 1.00 0.00 H new ATOM 0 HB2 CYS B 50 8.856 5.871 8.629 1.00 0.00 H new ATOM 0 HB3 CYS B 50 8.727 4.132 8.446 1.00 0.00 H new ATOM 754 N TRP B 51 11.197 3.927 6.471 1.00 0.00 N ATOM 755 CA TRP B 51 11.453 3.964 5.041 1.00 0.00 C ATOM 756 C TRP B 51 10.107 3.897 4.318 1.00 0.00 C ATOM 757 O TRP B 51 9.368 2.925 4.463 1.00 0.00 O ATOM 758 CB TRP B 51 12.411 2.845 4.626 1.00 0.00 C ATOM 759 CG TRP B 51 13.348 3.221 3.477 1.00 0.00 C ATOM 760 CD1 TRP B 51 13.581 2.542 2.346 1.00 0.00 C ATOM 761 CD2 TRP B 51 14.174 4.402 3.393 1.00 0.00 C ATOM 762 NE1 TRP B 51 14.493 3.195 1.542 1.00 0.00 N ATOM 763 CE2 TRP B 51 14.865 4.362 2.200 1.00 0.00 C ATOM 764 CE3 TRP B 51 14.332 5.468 4.296 1.00 0.00 C ATOM 765 CZ2 TRP B 51 15.761 5.361 1.799 1.00 0.00 C ATOM 766 CZ3 TRP B 51 15.231 6.457 3.882 1.00 0.00 C ATOM 767 CH2 TRP B 51 15.935 6.432 2.683 1.00 0.00 C ATOM 0 H TRP B 51 11.189 2.992 6.879 1.00 0.00 H new ATOM 0 HA TRP B 51 11.952 4.892 4.763 1.00 0.00 H new ATOM 0 HB2 TRP B 51 13.010 2.555 5.489 1.00 0.00 H new ATOM 0 HB3 TRP B 51 11.828 1.971 4.334 1.00 0.00 H new ATOM 0 HD1 TRP B 51 13.114 1.601 2.095 1.00 0.00 H new ATOM 0 HE1 TRP B 51 14.832 2.880 0.633 1.00 0.00 H new ATOM 0 HE3 TRP B 51 13.801 5.519 5.235 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 16.289 5.308 0.858 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 15.389 7.299 4.540 1.00 0.00 H new ATOM 0 HH2 TRP B 51 16.613 7.235 2.435 1.00 0.00 H new TER 778 TRP B 51