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+ -168:sc= 0.463 (180deg=0.384) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 25:sc= -2.59! 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 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 178:sc= -2.02 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.818 -6.755 1.220 1.00 0.00 N ATOM 2 CA ARG A 1 7.121 -6.651 2.491 1.00 0.00 C ATOM 3 C ARG A 1 7.806 -5.619 3.388 1.00 0.00 C ATOM 4 O ARG A 1 9.026 -5.635 3.540 1.00 0.00 O ATOM 5 CB ARG A 1 7.087 -8.001 3.211 1.00 0.00 C ATOM 6 CG ARG A 1 5.882 -8.090 4.150 1.00 0.00 C ATOM 7 CD ARG A 1 4.682 -8.725 3.444 1.00 0.00 C ATOM 8 NE ARG A 1 4.648 -10.180 3.713 1.00 0.00 N ATOM 9 CZ ARG A 1 3.653 -11.000 3.315 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.599 -10.514 2.624 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.725 -12.284 3.610 1.00 0.00 N ATOM 0 H1 ARG A 1 7.238 -7.298 0.549 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.988 -5.803 0.839 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.728 -7.239 1.361 1.00 0.00 H new ATOM 0 HA ARG A 1 6.098 -6.336 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.042 -8.807 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.007 -8.137 3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.144 -8.678 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.616 -7.093 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.759 -8.261 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.745 -8.547 2.371 1.00 0.00 H new ATOM 0 HE ARG A 1 5.425 -10.589 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.551 -9.520 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.851 -11.141 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.524 -12.643 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.981 -12.917 3.316 1.00 0.00 H new ATOM 24 N TRP A 2 6.990 -4.745 3.960 1.00 0.00 N ATOM 25 CA TRP A 2 7.502 -3.707 4.838 1.00 0.00 C ATOM 26 C TRP A 2 7.513 -4.259 6.265 1.00 0.00 C ATOM 27 O TRP A 2 6.498 -4.753 6.751 1.00 0.00 O ATOM 28 CB TRP A 2 6.685 -2.421 4.701 1.00 0.00 C ATOM 29 CG TRP A 2 6.065 -2.222 3.316 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.884 -1.666 3.013 1.00 0.00 C ATOM 31 CD2 TRP A 2 6.646 -2.602 2.051 1.00 0.00 C ATOM 32 NE1 TRP A 2 4.663 -1.660 1.651 1.00 0.00 N ATOM 33 CE2 TRP A 2 5.768 -2.247 1.048 1.00 0.00 C ATOM 34 CE3 TRP A 2 7.874 -3.225 1.765 1.00 0.00 C ATOM 35 CZ2 TRP A 2 6.023 -2.475 -0.310 1.00 0.00 C ATOM 36 CZ3 TRP A 2 8.114 -3.446 0.403 1.00 0.00 C ATOM 37 CH2 TRP A 2 7.240 -3.095 -0.619 1.00 0.00 C ATOM 0 H TRP A 2 5.978 -4.735 3.832 1.00 0.00 H new ATOM 0 HA TRP A 2 8.521 -3.435 4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 2 5.890 -2.427 5.446 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.327 -1.569 4.926 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.192 -1.272 3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 2 3.840 -1.292 1.175 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.576 -3.510 2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.319 -2.188 -1.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 9.043 -3.923 0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.498 -3.300 -1.647 1.00 0.00 H new ATOM 48 N CYS A 3 8.674 -4.155 6.896 1.00 0.00 N ATOM 49 CA CYS A 3 8.831 -4.637 8.258 1.00 0.00 C ATOM 50 C CYS A 3 9.212 -3.452 9.147 1.00 0.00 C ATOM 51 O CYS A 3 9.527 -2.372 8.647 1.00 0.00 O ATOM 52 CB CYS A 3 9.858 -5.768 8.343 1.00 0.00 C ATOM 53 SG CYS A 3 9.168 -7.449 8.134 1.00 0.00 S ATOM 0 H CYS A 3 9.514 -3.744 6.489 1.00 0.00 H new ATOM 0 HA CYS A 3 7.890 -5.062 8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.620 -5.606 7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 3 10.358 -5.714 9.310 1.00 0.00 H new ATOM 58 N VAL A 4 9.172 -3.692 10.449 1.00 0.00 N ATOM 59 CA VAL A 4 9.510 -2.658 11.412 1.00 0.00 C ATOM 60 C VAL A 4 10.097 -3.307 12.667 1.00 0.00 C ATOM 61 O VAL A 4 9.460 -4.158 13.286 1.00 0.00 O ATOM 62 CB VAL A 4 8.281 -1.794 11.704 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.470 -1.545 10.431 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.413 -2.427 12.793 1.00 0.00 C ATOM 0 H VAL A 4 8.910 -4.588 10.860 1.00 0.00 H new ATOM 0 HA VAL A 4 10.271 -1.991 11.006 1.00 0.00 H new ATOM 0 HB VAL A 4 8.629 -0.829 12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.603 -0.929 10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.092 -1.031 9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.137 -2.498 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.546 -1.793 12.982 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.078 -3.411 12.465 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.995 -2.528 13.709 1.00 0.00 H new ATOM 74 N TYR A 5 11.305 -2.881 13.005 1.00 0.00 N ATOM 75 CA TYR A 5 11.985 -3.410 14.175 1.00 0.00 C ATOM 76 C TYR A 5 12.227 -2.312 15.212 1.00 0.00 C ATOM 77 O TYR A 5 12.721 -1.236 14.878 1.00 0.00 O ATOM 78 CB TYR A 5 13.334 -3.932 13.678 1.00 0.00 C ATOM 79 CG TYR A 5 13.303 -5.388 13.207 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.657 -6.344 13.963 1.00 0.00 C ATOM 81 CD2 TYR A 5 13.922 -5.744 12.026 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.627 -7.714 13.520 1.00 0.00 C ATOM 83 CE2 TYR A 5 13.893 -7.114 11.583 1.00 0.00 C ATOM 84 CZ TYR A 5 13.247 -8.031 12.352 1.00 0.00 C ATOM 85 OH TYR A 5 13.220 -9.325 11.933 1.00 0.00 O ATOM 0 H TYR A 5 11.831 -2.175 12.489 1.00 0.00 H new ATOM 0 HA TYR A 5 11.385 -4.187 14.649 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.675 -3.302 12.856 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.067 -3.836 14.479 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.173 -6.065 14.888 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.428 -4.995 11.434 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.124 -8.472 14.102 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.373 -7.407 10.661 1.00 0.00 H new ATOM 0 HH TYR A 5 13.702 -9.404 11.083 1.00 0.00 H new ATOM 95 N ALA A 6 11.868 -2.621 16.449 1.00 0.00 N ATOM 96 CA ALA A 6 12.040 -1.674 17.537 1.00 0.00 C ATOM 97 C ALA A 6 12.834 -2.337 18.665 1.00 0.00 C ATOM 98 O ALA A 6 12.712 -3.541 18.889 1.00 0.00 O ATOM 99 CB ALA A 6 10.670 -1.176 18.003 1.00 0.00 C ATOM 0 H ALA A 6 11.459 -3.514 16.722 1.00 0.00 H new ATOM 0 HA ALA A 6 12.606 -0.805 17.202 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.800 -0.465 18.819 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.159 -0.687 17.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.074 -2.021 18.348 1.00 0.00 H new ATOM 105 N TYR A 7 13.628 -1.523 19.344 1.00 0.00 N ATOM 106 CA TYR A 7 14.441 -2.016 20.443 1.00 0.00 C ATOM 107 C TYR A 7 14.567 -0.965 21.547 1.00 0.00 C ATOM 108 O TYR A 7 15.216 0.063 21.360 1.00 0.00 O ATOM 109 CB TYR A 7 15.827 -2.287 19.854 1.00 0.00 C ATOM 110 CG TYR A 7 16.844 -2.809 20.870 1.00 0.00 C ATOM 111 CD1 TYR A 7 17.425 -1.941 21.773 1.00 0.00 C ATOM 112 CD2 TYR A 7 17.181 -4.147 20.885 1.00 0.00 C ATOM 113 CE1 TYR A 7 18.383 -2.432 22.730 1.00 0.00 C ATOM 114 CE2 TYR A 7 18.139 -4.638 21.842 1.00 0.00 C ATOM 115 CZ TYR A 7 18.692 -3.757 22.717 1.00 0.00 C ATOM 116 OH TYR A 7 19.597 -4.220 23.621 1.00 0.00 O ATOM 0 H TYR A 7 13.726 -0.526 19.155 1.00 0.00 H new ATOM 0 HA TYR A 7 13.992 -2.906 20.883 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.731 -3.012 19.046 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.209 -1.366 19.413 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.161 -0.894 21.762 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.726 -4.826 20.179 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.845 -1.764 23.441 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.412 -5.683 21.864 1.00 0.00 H new ATOM 0 HH TYR A 7 19.612 -3.628 24.402 1.00 0.00 H new ATOM 126 N VAL A 8 13.934 -1.258 22.674 1.00 0.00 N ATOM 127 CA VAL A 8 13.967 -0.351 23.809 1.00 0.00 C ATOM 128 C VAL A 8 14.836 -0.954 24.914 1.00 0.00 C ATOM 129 O VAL A 8 14.854 -2.170 25.100 1.00 0.00 O ATOM 130 CB VAL A 8 12.542 -0.040 24.271 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.549 0.711 25.604 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.778 0.746 23.203 1.00 0.00 C ATOM 0 H VAL A 8 13.395 -2.111 22.825 1.00 0.00 H new ATOM 0 HA VAL A 8 14.417 0.600 23.525 1.00 0.00 H new ATOM 0 HB VAL A 8 12.025 -0.988 24.423 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.524 0.920 25.909 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.037 0.100 26.363 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.092 1.649 25.490 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.768 0.954 23.557 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.294 1.686 23.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.727 0.159 22.286 1.00 0.00 H new ATOM 142 N ARG A 9 15.535 -0.077 25.618 1.00 0.00 N ATOM 143 CA ARG A 9 16.404 -0.507 26.700 1.00 0.00 C ATOM 144 C ARG A 9 16.644 0.644 27.679 1.00 0.00 C ATOM 145 O ARG A 9 17.311 1.621 27.341 1.00 0.00 O ATOM 146 CB ARG A 9 17.749 -1.001 26.163 1.00 0.00 C ATOM 147 CG ARG A 9 18.868 -0.754 27.177 1.00 0.00 C ATOM 148 CD ARG A 9 20.150 -1.482 26.767 1.00 0.00 C ATOM 149 NE ARG A 9 21.257 -0.511 26.617 1.00 0.00 N ATOM 150 CZ ARG A 9 22.561 -0.822 26.770 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.934 -2.082 27.079 1.00 0.00 N ATOM 152 NH2 ARG A 9 23.467 0.125 26.613 1.00 0.00 N ATOM 0 H ARG A 9 15.517 0.931 25.460 1.00 0.00 H new ATOM 0 HA ARG A 9 15.908 -1.329 27.216 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.686 -2.066 25.938 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.981 -0.491 25.228 1.00 0.00 H new ATOM 0 HG2 ARG A 9 19.062 0.316 27.256 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.552 -1.094 28.163 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.410 -2.229 27.517 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.992 -2.014 25.829 1.00 0.00 H new ATOM 0 HE ARG A 9 21.019 0.453 26.383 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.228 -2.808 27.199 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.922 -2.308 27.193 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.177 1.075 26.380 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.457 -0.093 26.725 1.00 0.00 H new ATOM 165 N ILE A 10 16.088 0.491 28.871 1.00 0.00 N ATOM 166 CA ILE A 10 16.233 1.506 29.901 1.00 0.00 C ATOM 167 C ILE A 10 16.404 0.826 31.261 1.00 0.00 C ATOM 168 O ILE A 10 15.871 -0.259 31.488 1.00 0.00 O ATOM 169 CB ILE A 10 15.065 2.493 29.849 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.494 2.593 28.434 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.478 3.860 30.399 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.479 3.734 28.331 1.00 0.00 C ATOM 0 H ILE A 10 15.536 -0.321 29.147 1.00 0.00 H new ATOM 0 HA ILE A 10 17.130 2.100 29.727 1.00 0.00 H new ATOM 0 HB ILE A 10 14.269 2.115 30.491 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.303 2.756 27.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.016 1.651 28.163 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.630 4.543 30.351 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.800 3.753 31.435 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.299 4.259 29.803 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.089 3.783 27.315 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.659 3.555 29.027 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.966 4.677 28.578 1.00 0.00 H new ATOM 184 N ARG A 11 17.151 1.492 32.130 1.00 0.00 N ATOM 185 CA ARG A 11 17.399 0.965 33.461 1.00 0.00 C ATOM 186 C ARG A 11 18.118 -0.382 33.373 1.00 0.00 C ATOM 187 O ARG A 11 19.335 -0.452 33.538 1.00 0.00 O ATOM 188 CB ARG A 11 16.091 0.788 34.236 1.00 0.00 C ATOM 189 CG ARG A 11 15.393 2.133 34.447 1.00 0.00 C ATOM 190 CD ARG A 11 16.402 3.283 34.433 1.00 0.00 C ATOM 191 NE ARG A 11 15.726 4.554 34.776 1.00 0.00 N ATOM 192 CZ ARG A 11 16.305 5.770 34.679 1.00 0.00 C ATOM 193 NH1 ARG A 11 17.579 5.889 34.249 1.00 0.00 N ATOM 194 NH2 ARG A 11 15.607 6.840 35.012 1.00 0.00 N ATOM 0 H ARG A 11 17.592 2.391 31.938 1.00 0.00 H new ATOM 0 HA ARG A 11 18.027 1.682 33.990 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.430 0.113 33.692 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.296 0.325 35.201 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.649 2.287 33.665 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.859 2.125 35.397 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.203 3.084 35.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.863 3.361 33.448 1.00 0.00 H new ATOM 0 HE ARG A 11 14.762 4.509 35.106 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.111 5.057 33.995 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.009 6.811 34.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.645 6.741 35.337 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.030 7.766 34.945 1.00 0.00 H new ATOM 207 N GLY A 12 17.335 -1.419 33.115 1.00 0.00 N ATOM 208 CA GLY A 12 17.881 -2.761 33.003 1.00 0.00 C ATOM 209 C GLY A 12 16.860 -3.720 32.389 1.00 0.00 C ATOM 210 O GLY A 12 16.883 -4.918 32.667 1.00 0.00 O ATOM 0 H GLY A 12 16.326 -1.357 32.980 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.781 -2.741 32.389 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.176 -3.121 33.989 1.00 0.00 H new ATOM 214 N VAL A 13 15.987 -3.157 31.567 1.00 0.00 N ATOM 215 CA VAL A 13 14.959 -3.948 30.912 1.00 0.00 C ATOM 216 C VAL A 13 15.052 -3.743 29.398 1.00 0.00 C ATOM 217 O VAL A 13 15.003 -2.613 28.917 1.00 0.00 O ATOM 218 CB VAL A 13 13.583 -3.592 31.480 1.00 0.00 C ATOM 219 CG1 VAL A 13 12.499 -4.501 30.899 1.00 0.00 C ATOM 220 CG2 VAL A 13 13.589 -3.651 33.008 1.00 0.00 C ATOM 0 H VAL A 13 15.970 -2.163 31.340 1.00 0.00 H new ATOM 0 HA VAL A 13 15.111 -5.010 31.107 1.00 0.00 H new ATOM 0 HB VAL A 13 13.353 -2.568 31.186 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.531 -4.227 31.319 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.470 -4.386 29.815 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.722 -5.538 31.148 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.599 -3.394 33.386 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.851 -4.658 33.332 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.321 -2.943 33.397 1.00 0.00 H new ATOM 230 N LEU A 14 15.184 -4.855 28.690 1.00 0.00 N ATOM 231 CA LEU A 14 15.284 -4.813 27.241 1.00 0.00 C ATOM 232 C LEU A 14 13.931 -5.180 26.630 1.00 0.00 C ATOM 233 O LEU A 14 13.483 -6.320 26.743 1.00 0.00 O ATOM 234 CB LEU A 14 16.438 -5.694 26.757 1.00 0.00 C ATOM 235 CG LEU A 14 16.649 -5.751 25.243 1.00 0.00 C ATOM 236 CD1 LEU A 14 16.159 -4.466 24.573 1.00 0.00 C ATOM 237 CD2 LEU A 14 18.110 -6.052 24.905 1.00 0.00 C ATOM 0 H LEU A 14 15.224 -5.791 29.093 1.00 0.00 H new ATOM 0 HA LEU A 14 15.522 -3.804 26.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.359 -5.338 27.219 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.271 -6.708 27.119 1.00 0.00 H new ATOM 0 HG LEU A 14 16.051 -6.570 24.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.320 -4.532 23.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.096 -4.334 24.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.711 -3.615 24.971 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.233 -6.087 23.823 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.747 -5.270 25.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.392 -7.014 25.334 1.00 0.00 H new ATOM 249 N VAL A 15 13.317 -4.193 25.994 1.00 0.00 N ATOM 250 CA VAL A 15 12.024 -4.398 25.365 1.00 0.00 C ATOM 251 C VAL A 15 12.177 -4.286 23.846 1.00 0.00 C ATOM 252 O VAL A 15 12.072 -3.196 23.287 1.00 0.00 O ATOM 253 CB VAL A 15 11.001 -3.413 25.936 1.00 0.00 C ATOM 254 CG1 VAL A 15 9.573 -3.917 25.717 1.00 0.00 C ATOM 255 CG2 VAL A 15 11.267 -3.146 27.419 1.00 0.00 C ATOM 0 H VAL A 15 13.692 -3.249 25.901 1.00 0.00 H new ATOM 0 HA VAL A 15 11.649 -5.398 25.582 1.00 0.00 H new ATOM 0 HB VAL A 15 11.109 -2.470 25.401 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.866 -3.199 26.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.388 -4.033 24.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.446 -4.879 26.214 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.526 -2.443 27.801 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.200 -4.081 27.975 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.264 -2.723 27.539 1.00 0.00 H new ATOM 265 N ARG A 16 12.422 -5.429 23.223 1.00 0.00 N ATOM 266 CA ARG A 16 12.591 -5.473 21.780 1.00 0.00 C ATOM 267 C ARG A 16 11.254 -5.768 21.098 1.00 0.00 C ATOM 268 O ARG A 16 10.706 -6.860 21.243 1.00 0.00 O ATOM 269 CB ARG A 16 13.608 -6.543 21.377 1.00 0.00 C ATOM 270 CG ARG A 16 14.983 -6.247 21.979 1.00 0.00 C ATOM 271 CD ARG A 16 16.038 -7.214 21.438 1.00 0.00 C ATOM 272 NE ARG A 16 15.407 -8.505 21.083 1.00 0.00 N ATOM 273 CZ ARG A 16 15.142 -9.487 21.971 1.00 0.00 C ATOM 274 NH1 ARG A 16 15.452 -9.333 23.276 1.00 0.00 N ATOM 275 NH2 ARG A 16 14.576 -10.600 21.544 1.00 0.00 N ATOM 0 H ARG A 16 12.508 -6.332 23.690 1.00 0.00 H new ATOM 0 HA ARG A 16 12.959 -4.498 21.459 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.264 -7.522 21.712 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.684 -6.586 20.291 1.00 0.00 H new ATOM 0 HG2 ARG A 16 15.272 -5.222 21.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.934 -6.327 23.065 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.522 -6.783 20.562 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.815 -7.373 22.186 1.00 0.00 H new ATOM 0 HE ARG A 16 15.157 -8.663 20.107 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.890 -8.470 23.598 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.248 -10.080 23.940 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.346 -10.709 20.556 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.369 -11.352 22.202 1.00 0.00 H new ATOM 288 N TYR A 17 10.766 -4.775 20.369 1.00 0.00 N ATOM 289 CA TYR A 17 9.503 -4.914 19.664 1.00 0.00 C ATOM 290 C TYR A 17 9.733 -5.187 18.176 1.00 0.00 C ATOM 291 O TYR A 17 10.795 -4.873 17.640 1.00 0.00 O ATOM 292 CB TYR A 17 8.784 -3.572 19.819 1.00 0.00 C ATOM 293 CG TYR A 17 7.258 -3.683 19.836 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.606 -4.059 20.993 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.534 -3.406 18.695 1.00 0.00 C ATOM 296 CE1 TYR A 17 5.170 -4.163 21.009 1.00 0.00 C ATOM 297 CE2 TYR A 17 5.097 -3.510 18.711 1.00 0.00 C ATOM 298 CZ TYR A 17 4.487 -3.883 19.867 1.00 0.00 C ATOM 299 OH TYR A 17 3.130 -3.982 19.882 1.00 0.00 O ATOM 0 H TYR A 17 11.223 -3.871 20.251 1.00 0.00 H new ATOM 0 HA TYR A 17 8.927 -5.746 20.068 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.114 -3.099 20.744 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.081 -2.915 19.001 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.173 -4.275 21.886 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.044 -3.111 17.790 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.647 -4.457 21.907 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.518 -3.296 17.825 1.00 0.00 H new ATOM 0 HH TYR A 17 2.775 -3.752 18.998 1.00 0.00 H new ATOM 309 N ARG A 18 8.720 -5.769 17.551 1.00 0.00 N ATOM 310 CA ARG A 18 8.798 -6.088 16.136 1.00 0.00 C ATOM 311 C ARG A 18 7.404 -6.053 15.506 1.00 0.00 C ATOM 312 O ARG A 18 6.399 -6.067 16.214 1.00 0.00 O ATOM 313 CB ARG A 18 9.415 -7.470 15.916 1.00 0.00 C ATOM 314 CG ARG A 18 8.336 -8.555 15.893 1.00 0.00 C ATOM 315 CD ARG A 18 8.962 -9.948 15.799 1.00 0.00 C ATOM 316 NE ARG A 18 8.742 -10.512 14.449 1.00 0.00 N ATOM 317 CZ ARG A 18 7.556 -10.982 14.008 1.00 0.00 C ATOM 318 NH1 ARG A 18 6.470 -10.960 14.810 1.00 0.00 N ATOM 319 NH2 ARG A 18 7.473 -11.464 12.782 1.00 0.00 N ATOM 0 H ARG A 18 7.841 -6.028 17.999 1.00 0.00 H new ATOM 0 HA ARG A 18 9.433 -5.340 15.662 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.966 -7.481 14.976 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.132 -7.682 16.709 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.727 -8.486 16.794 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.670 -8.393 15.045 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.030 -9.890 16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.525 -10.604 16.552 1.00 0.00 H new ATOM 0 HE ARG A 18 9.537 -10.548 13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.542 -10.586 15.756 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.577 -11.317 14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.298 -11.478 12.182 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.584 -11.823 12.434 1.00 0.00 H new ATOM 332 N ARG A 19 7.389 -6.008 14.182 1.00 0.00 N ATOM 333 CA ARG A 19 6.135 -5.971 13.449 1.00 0.00 C ATOM 334 C ARG A 19 6.401 -5.914 11.943 1.00 0.00 C ATOM 335 O ARG A 19 7.457 -5.453 11.513 1.00 0.00 O ATOM 336 CB ARG A 19 5.293 -4.760 13.857 1.00 0.00 C ATOM 337 CG ARG A 19 3.800 -5.047 13.686 1.00 0.00 C ATOM 338 CD ARG A 19 3.323 -4.653 12.287 1.00 0.00 C ATOM 339 NE ARG A 19 2.173 -3.726 12.388 1.00 0.00 N ATOM 340 CZ ARG A 19 2.281 -2.416 12.694 1.00 0.00 C ATOM 341 NH1 ARG A 19 3.491 -1.866 12.933 1.00 0.00 N ATOM 342 NH2 ARG A 19 1.187 -1.681 12.756 1.00 0.00 N ATOM 0 H ARG A 19 8.225 -5.996 13.598 1.00 0.00 H new ATOM 0 HA ARG A 19 5.584 -6.880 13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.501 -4.502 14.895 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.573 -3.898 13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.608 -6.107 13.855 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.232 -4.497 14.436 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.136 -4.179 11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.035 -5.543 11.727 1.00 0.00 H new ATOM 0 HE ARG A 19 1.240 -4.101 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.332 -2.441 12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.564 -0.875 13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.277 -2.104 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.251 -0.689 12.986 1.00 0.00 H new ATOM 355 N CYS A 20 5.426 -6.390 11.184 1.00 0.00 N ATOM 356 CA CYS A 20 5.542 -6.399 9.735 1.00 0.00 C ATOM 357 C CYS A 20 4.138 -6.270 9.140 1.00 0.00 C ATOM 358 O CYS A 20 3.153 -6.635 9.779 1.00 0.00 O ATOM 359 CB CYS A 20 6.261 -7.652 9.233 1.00 0.00 C ATOM 360 SG CYS A 20 8.004 -7.804 9.770 1.00 0.00 S ATOM 0 H CYS A 20 4.552 -6.772 11.544 1.00 0.00 H new ATOM 0 HA CYS A 20 6.152 -5.556 9.411 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.712 -8.530 9.574 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.229 -7.660 8.143 1.00 0.00 H new ATOM 365 N TRP A 21 4.092 -5.748 7.923 1.00 0.00 N ATOM 366 CA TRP A 21 2.826 -5.566 7.234 1.00 0.00 C ATOM 367 C TRP A 21 2.667 -6.706 6.226 1.00 0.00 C ATOM 368 O TRP A 21 2.156 -7.773 6.565 1.00 0.00 O ATOM 369 CB TRP A 21 2.747 -4.182 6.588 1.00 0.00 C ATOM 370 CG TRP A 21 1.707 -4.075 5.471 1.00 0.00 C ATOM 371 CD1 TRP A 21 0.502 -3.491 5.519 1.00 0.00 C ATOM 372 CD2 TRP A 21 1.830 -4.591 4.129 1.00 0.00 C ATOM 373 NE1 TRP A 21 -0.158 -3.593 4.311 1.00 0.00 N ATOM 374 CE2 TRP A 21 0.675 -4.284 3.439 1.00 0.00 C ATOM 375 CE3 TRP A 21 2.883 -5.296 3.518 1.00 0.00 C ATOM 376 CZ2 TRP A 21 0.462 -4.641 2.102 1.00 0.00 C ATOM 377 CZ3 TRP A 21 2.654 -5.645 2.182 1.00 0.00 C ATOM 378 CH2 TRP A 21 1.497 -5.343 1.473 1.00 0.00 C ATOM 0 H TRP A 21 4.911 -5.445 7.396 1.00 0.00 H new ATOM 0 HA TRP A 21 1.995 -5.606 7.938 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.515 -3.446 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.726 -3.924 6.185 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.098 -3.002 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.086 -3.228 4.098 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.795 -5.548 4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.451 -4.388 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.432 -6.188 1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.397 -5.648 0.442 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 8.698 -0.717 2.936 1.00 0.00 N ATOM 391 CA ARG B 31 9.201 0.214 3.932 1.00 0.00 C ATOM 392 C ARG B 31 9.830 -0.547 5.101 1.00 0.00 C ATOM 393 O ARG B 31 9.473 -1.695 5.363 1.00 0.00 O ATOM 394 CB ARG B 31 8.082 1.113 4.461 1.00 0.00 C ATOM 395 CG ARG B 31 8.637 2.455 4.940 1.00 0.00 C ATOM 396 CD ARG B 31 8.080 3.609 4.104 1.00 0.00 C ATOM 397 NE ARG B 31 6.602 3.623 4.181 1.00 0.00 N ATOM 398 CZ ARG B 31 5.834 4.669 3.809 1.00 0.00 C ATOM 399 NH1 ARG B 31 6.399 5.797 3.329 1.00 0.00 N ATOM 400 NH2 ARG B 31 4.522 4.572 3.921 1.00 0.00 N ATOM 0 HA ARG B 31 9.955 0.837 3.452 1.00 0.00 H new ATOM 0 HB2 ARG B 31 7.344 1.280 3.677 1.00 0.00 H new ATOM 0 HB3 ARG B 31 7.568 0.614 5.282 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.381 2.605 5.989 1.00 0.00 H new ATOM 0 HG3 ARG B 31 9.725 2.446 4.875 1.00 0.00 H new ATOM 0 HD2 ARG B 31 8.480 4.557 4.465 1.00 0.00 H new ATOM 0 HD3 ARG B 31 8.397 3.504 3.067 1.00 0.00 H new ATOM 0 HE ARG B 31 6.134 2.790 4.538 1.00 0.00 H new ATOM 0 HH11 ARG B 31 7.413 5.864 3.245 1.00 0.00 H new ATOM 0 HH12 ARG B 31 5.812 6.583 3.050 1.00 0.00 H new ATOM 0 HH21 ARG B 31 4.103 3.716 4.284 1.00 0.00 H new ATOM 0 HH22 ARG B 31 3.927 5.353 3.644 1.00 0.00 H new ATOM 413 N TRP B 32 10.756 0.123 5.772 1.00 0.00 N ATOM 414 CA TRP B 32 11.438 -0.476 6.906 1.00 0.00 C ATOM 415 C TRP B 32 11.535 0.579 8.010 1.00 0.00 C ATOM 416 O TRP B 32 12.395 1.457 7.961 1.00 0.00 O ATOM 417 CB TRP B 32 12.800 -1.037 6.493 1.00 0.00 C ATOM 418 CG TRP B 32 12.764 -2.503 6.059 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.692 -2.993 4.813 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.801 -3.658 6.924 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.680 -4.373 4.813 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.748 -4.790 6.137 1.00 0.00 C ATOM 423 CE3 TRP B 32 12.877 -3.743 8.325 1.00 0.00 C ATOM 424 CZ2 TRP B 32 12.766 -6.089 6.660 1.00 0.00 C ATOM 425 CZ3 TRP B 32 12.893 -5.047 8.832 1.00 0.00 C ATOM 426 CH2 TRP B 32 12.841 -6.198 8.054 1.00 0.00 C ATOM 0 H TRP B 32 11.050 1.075 5.552 1.00 0.00 H new ATOM 0 HA TRP B 32 10.876 -1.329 7.288 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.196 -0.436 5.674 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.493 -0.933 7.328 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.649 -2.384 3.922 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.630 -4.976 3.992 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.920 -2.871 8.960 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.724 -6.960 6.023 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.950 -5.168 9.904 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.858 -7.171 8.522 1.00 0.00 H new ATOM 437 N CYS B 33 10.641 0.458 8.980 1.00 0.00 N ATOM 438 CA CYS B 33 10.615 1.390 10.095 1.00 0.00 C ATOM 439 C CYS B 33 11.533 0.850 11.194 1.00 0.00 C ATOM 440 O CYS B 33 11.752 -0.356 11.287 1.00 0.00 O ATOM 441 CB CYS B 33 9.192 1.625 10.603 1.00 0.00 C ATOM 442 SG CYS B 33 8.316 3.025 9.815 1.00 0.00 S ATOM 0 H CYS B 33 9.929 -0.271 9.017 1.00 0.00 H new ATOM 0 HA CYS B 33 10.978 2.364 9.767 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.611 0.716 10.446 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.229 1.797 11.679 1.00 0.00 H new ATOM 447 N VAL B 34 12.043 1.771 11.999 1.00 0.00 N ATOM 448 CA VAL B 34 12.931 1.402 13.088 1.00 0.00 C ATOM 449 C VAL B 34 12.783 2.414 14.226 1.00 0.00 C ATOM 450 O VAL B 34 12.991 3.610 14.029 1.00 0.00 O ATOM 451 CB VAL B 34 14.368 1.286 12.575 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.468 0.247 11.456 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.896 2.644 12.111 1.00 0.00 C ATOM 0 H VAL B 34 11.858 2.771 11.919 1.00 0.00 H new ATOM 0 HA VAL B 34 12.662 0.423 13.486 1.00 0.00 H new ATOM 0 HB VAL B 34 14.993 0.949 13.402 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.499 0.184 11.109 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.152 -0.726 11.833 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.824 0.541 10.627 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.919 2.533 11.751 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.267 3.023 11.305 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.879 3.345 12.945 1.00 0.00 H new ATOM 463 N TYR B 35 12.425 1.897 15.392 1.00 0.00 N ATOM 464 CA TYR B 35 12.247 2.741 16.562 1.00 0.00 C ATOM 465 C TYR B 35 12.791 2.058 17.818 1.00 0.00 C ATOM 466 O TYR B 35 12.283 1.017 18.232 1.00 0.00 O ATOM 467 CB TYR B 35 10.737 2.936 16.714 1.00 0.00 C ATOM 468 CG TYR B 35 10.344 4.273 17.346 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.301 4.402 18.719 1.00 0.00 C ATOM 470 CD2 TYR B 35 10.031 5.350 16.541 1.00 0.00 C ATOM 471 CE1 TYR B 35 9.930 5.660 19.313 1.00 0.00 C ATOM 472 CE2 TYR B 35 9.660 6.609 17.135 1.00 0.00 C ATOM 473 CZ TYR B 35 9.628 6.702 18.491 1.00 0.00 C ATOM 474 OH TYR B 35 9.278 7.890 19.052 1.00 0.00 O ATOM 0 H TYR B 35 12.253 0.904 15.552 1.00 0.00 H new ATOM 0 HA TYR B 35 12.780 3.684 16.441 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.270 2.858 15.732 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.336 2.126 17.323 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.546 3.559 19.348 1.00 0.00 H new ATOM 0 HD2 TYR B 35 10.064 5.249 15.466 1.00 0.00 H new ATOM 0 HE1 TYR B 35 9.892 5.774 20.386 1.00 0.00 H new ATOM 0 HE2 TYR B 35 9.413 7.460 16.517 1.00 0.00 H new ATOM 0 HH TYR B 35 9.091 8.543 18.346 1.00 0.00 H new ATOM 484 N ALA B 36 13.816 2.672 18.390 1.00 0.00 N ATOM 485 CA ALA B 36 14.434 2.136 19.591 1.00 0.00 C ATOM 486 C ALA B 36 14.631 3.265 20.605 1.00 0.00 C ATOM 487 O ALA B 36 14.911 4.402 20.227 1.00 0.00 O ATOM 488 CB ALA B 36 15.749 1.445 19.225 1.00 0.00 C ATOM 0 H ALA B 36 14.234 3.536 18.044 1.00 0.00 H new ATOM 0 HA ALA B 36 13.790 1.387 20.052 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.212 1.043 20.126 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.551 0.633 18.526 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.422 2.166 18.762 1.00 0.00 H new ATOM 494 N TYR B 37 14.478 2.912 21.873 1.00 0.00 N ATOM 495 CA TYR B 37 14.636 3.882 22.944 1.00 0.00 C ATOM 496 C TYR B 37 15.597 3.363 24.015 1.00 0.00 C ATOM 497 O TYR B 37 15.165 2.860 25.051 1.00 0.00 O ATOM 498 CB TYR B 37 13.248 4.057 23.563 1.00 0.00 C ATOM 499 CG TYR B 37 13.103 5.315 24.421 1.00 0.00 C ATOM 500 CD1 TYR B 37 13.629 5.343 25.697 1.00 0.00 C ATOM 501 CD2 TYR B 37 12.447 6.421 23.920 1.00 0.00 C ATOM 502 CE1 TYR B 37 13.492 6.527 26.505 1.00 0.00 C ATOM 503 CE2 TYR B 37 12.311 7.605 24.728 1.00 0.00 C ATOM 504 CZ TYR B 37 12.840 7.600 25.981 1.00 0.00 C ATOM 505 OH TYR B 37 12.712 8.718 26.744 1.00 0.00 O ATOM 0 H TYR B 37 14.246 1.968 22.183 1.00 0.00 H new ATOM 0 HA TYR B 37 15.042 4.817 22.558 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.507 4.087 22.765 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.022 3.184 24.175 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.143 4.478 26.089 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.036 6.398 22.922 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.898 6.562 27.505 1.00 0.00 H new ATOM 0 HE2 TYR B 37 11.800 8.477 24.348 1.00 0.00 H new ATOM 0 HH TYR B 37 12.226 9.404 26.240 1.00 0.00 H new ATOM 515 N VAL B 38 16.883 3.505 23.730 1.00 0.00 N ATOM 516 CA VAL B 38 17.909 3.057 24.656 1.00 0.00 C ATOM 517 C VAL B 38 18.325 4.224 25.553 1.00 0.00 C ATOM 518 O VAL B 38 18.422 5.361 25.093 1.00 0.00 O ATOM 519 CB VAL B 38 19.082 2.448 23.884 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.202 2.023 24.835 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.619 1.273 23.021 1.00 0.00 C ATOM 0 H VAL B 38 17.238 3.924 22.871 1.00 0.00 H new ATOM 0 HA VAL B 38 17.521 2.271 25.304 1.00 0.00 H new ATOM 0 HB VAL B 38 19.480 3.215 23.219 1.00 0.00 H new ATOM 0 HG11 VAL B 38 21.023 1.594 24.261 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.560 2.892 25.387 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.822 1.280 25.536 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.472 0.858 22.483 1.00 0.00 H new ATOM 0 HG22 VAL B 38 18.183 0.503 23.658 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.872 1.619 22.306 1.00 0.00 H new ATOM 531 N ARG B 39 18.560 3.904 26.817 1.00 0.00 N ATOM 532 CA ARG B 39 18.964 4.912 27.782 1.00 0.00 C ATOM 533 C ARG B 39 19.832 4.284 28.874 1.00 0.00 C ATOM 534 O ARG B 39 19.418 3.327 29.527 1.00 0.00 O ATOM 535 CB ARG B 39 17.746 5.576 28.427 1.00 0.00 C ATOM 536 CG ARG B 39 18.168 6.736 29.331 1.00 0.00 C ATOM 537 CD ARG B 39 17.042 7.118 30.294 1.00 0.00 C ATOM 538 NE ARG B 39 16.613 8.512 30.043 1.00 0.00 N ATOM 539 CZ ARG B 39 17.167 9.592 30.633 1.00 0.00 C ATOM 540 NH1 ARG B 39 18.180 9.448 31.514 1.00 0.00 N ATOM 541 NH2 ARG B 39 16.704 10.792 30.334 1.00 0.00 N ATOM 0 H ARG B 39 18.478 2.960 27.195 1.00 0.00 H new ATOM 0 HA ARG B 39 19.537 5.670 27.249 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.073 5.941 27.651 1.00 0.00 H new ATOM 0 HB3 ARG B 39 17.192 4.840 29.009 1.00 0.00 H new ATOM 0 HG2 ARG B 39 19.056 6.456 29.897 1.00 0.00 H new ATOM 0 HG3 ARG B 39 18.438 7.598 28.721 1.00 0.00 H new ATOM 0 HD2 ARG B 39 16.198 6.440 30.167 1.00 0.00 H new ATOM 0 HD3 ARG B 39 17.382 7.013 31.324 1.00 0.00 H new ATOM 0 HE ARG B 39 15.851 8.666 29.383 1.00 0.00 H new ATOM 0 HH11 ARG B 39 18.532 8.517 31.738 1.00 0.00 H new ATOM 0 HH12 ARG B 39 18.593 10.270 31.955 1.00 0.00 H new ATOM 0 HH21 ARG B 39 15.939 10.892 29.666 1.00 0.00 H new ATOM 0 HH22 ARG B 39 17.111 11.619 30.771 1.00 0.00 H new ATOM 554 N ILE B 40 21.020 4.848 29.039 1.00 0.00 N ATOM 555 CA ILE B 40 21.949 4.355 30.041 1.00 0.00 C ATOM 556 C ILE B 40 22.787 5.520 30.571 1.00 0.00 C ATOM 557 O ILE B 40 22.874 6.567 29.931 1.00 0.00 O ATOM 558 CB ILE B 40 22.785 3.204 29.476 1.00 0.00 C ATOM 559 CG1 ILE B 40 21.993 1.894 29.488 1.00 0.00 C ATOM 560 CG2 ILE B 40 24.116 3.076 30.220 1.00 0.00 C ATOM 561 CD1 ILE B 40 22.830 0.754 30.071 1.00 0.00 C ATOM 0 H ILE B 40 21.360 5.641 28.496 1.00 0.00 H new ATOM 0 HA ILE B 40 21.407 3.939 30.890 1.00 0.00 H new ATOM 0 HB ILE B 40 23.018 3.430 28.436 1.00 0.00 H new ATOM 0 HG12 ILE B 40 21.084 2.020 30.076 1.00 0.00 H new ATOM 0 HG13 ILE B 40 21.685 1.642 28.473 1.00 0.00 H new ATOM 0 HG21 ILE B 40 24.690 2.251 29.799 1.00 0.00 H new ATOM 0 HG22 ILE B 40 24.681 4.002 30.116 1.00 0.00 H new ATOM 0 HG23 ILE B 40 23.926 2.884 31.276 1.00 0.00 H new ATOM 0 HD11 ILE B 40 22.245 -0.165 30.068 1.00 0.00 H new ATOM 0 HD12 ILE B 40 23.727 0.615 29.467 1.00 0.00 H new ATOM 0 HD13 ILE B 40 23.116 0.999 31.094 1.00 0.00 H new ATOM 573 N ARG B 41 23.381 5.300 31.734 1.00 0.00 N ATOM 574 CA ARG B 41 24.209 6.319 32.357 1.00 0.00 C ATOM 575 C ARG B 41 23.442 7.639 32.453 1.00 0.00 C ATOM 576 O ARG B 41 22.811 7.922 33.470 1.00 0.00 O ATOM 577 CB ARG B 41 25.498 6.542 31.564 1.00 0.00 C ATOM 578 CG ARG B 41 26.454 5.358 31.726 1.00 0.00 C ATOM 579 CD ARG B 41 27.197 5.432 33.062 1.00 0.00 C ATOM 580 NE ARG B 41 28.306 6.409 32.970 1.00 0.00 N ATOM 581 CZ ARG B 41 29.410 6.374 33.745 1.00 0.00 C ATOM 582 NH1 ARG B 41 29.563 5.411 34.678 1.00 0.00 N ATOM 583 NH2 ARG B 41 30.339 7.297 33.578 1.00 0.00 N ATOM 0 H ARG B 41 23.306 4.431 32.262 1.00 0.00 H new ATOM 0 HA ARG B 41 24.467 5.971 33.357 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.261 6.681 30.509 1.00 0.00 H new ATOM 0 HB3 ARG B 41 25.985 7.456 31.904 1.00 0.00 H new ATOM 0 HG2 ARG B 41 25.895 4.424 31.668 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.172 5.351 30.906 1.00 0.00 H new ATOM 0 HD2 ARG B 41 26.509 5.724 33.855 1.00 0.00 H new ATOM 0 HD3 ARG B 41 27.588 4.449 33.325 1.00 0.00 H new ATOM 0 HE ARG B 41 28.231 7.155 32.278 1.00 0.00 H new ATOM 0 HH11 ARG B 41 28.841 4.702 34.802 1.00 0.00 H new ATOM 0 HH12 ARG B 41 30.401 5.393 35.259 1.00 0.00 H new ATOM 0 HH21 ARG B 41 30.216 8.022 32.871 1.00 0.00 H new ATOM 0 HH22 ARG B 41 31.180 7.285 34.156 1.00 0.00 H new ATOM 596 N GLY B 42 23.522 8.412 31.379 1.00 0.00 N ATOM 597 CA GLY B 42 22.844 9.696 31.330 1.00 0.00 C ATOM 598 C GLY B 42 22.651 10.159 29.884 1.00 0.00 C ATOM 599 O GLY B 42 22.525 11.354 29.623 1.00 0.00 O ATOM 0 H GLY B 42 24.046 8.174 30.537 1.00 0.00 H new ATOM 0 HA2 GLY B 42 21.875 9.619 31.823 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.423 10.438 31.879 1.00 0.00 H new ATOM 603 N VAL B 43 22.633 9.188 28.983 1.00 0.00 N ATOM 604 CA VAL B 43 22.457 9.480 27.571 1.00 0.00 C ATOM 605 C VAL B 43 21.284 8.662 27.027 1.00 0.00 C ATOM 606 O VAL B 43 21.315 7.433 27.054 1.00 0.00 O ATOM 607 CB VAL B 43 23.764 9.225 26.817 1.00 0.00 C ATOM 608 CG1 VAL B 43 23.900 10.169 25.621 1.00 0.00 C ATOM 609 CG2 VAL B 43 24.969 9.348 27.752 1.00 0.00 C ATOM 0 H VAL B 43 22.737 8.198 29.204 1.00 0.00 H new ATOM 0 HA VAL B 43 22.214 10.533 27.427 1.00 0.00 H new ATOM 0 HB VAL B 43 23.738 8.204 26.437 1.00 0.00 H new ATOM 0 HG11 VAL B 43 24.837 9.967 25.103 1.00 0.00 H new ATOM 0 HG12 VAL B 43 23.066 10.012 24.937 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.894 11.202 25.970 1.00 0.00 H new ATOM 0 HG21 VAL B 43 25.885 9.162 27.191 1.00 0.00 H new ATOM 0 HG22 VAL B 43 25.000 10.352 28.175 1.00 0.00 H new ATOM 0 HG23 VAL B 43 24.881 8.618 28.556 1.00 0.00 H new ATOM 619 N LEU B 44 20.278 9.377 26.546 1.00 0.00 N ATOM 620 CA LEU B 44 19.097 8.733 25.997 1.00 0.00 C ATOM 621 C LEU B 44 19.179 8.744 24.469 1.00 0.00 C ATOM 622 O LEU B 44 19.094 9.802 23.847 1.00 0.00 O ATOM 623 CB LEU B 44 17.827 9.383 26.549 1.00 0.00 C ATOM 624 CG LEU B 44 16.601 9.344 25.634 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.210 7.902 25.303 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.437 10.128 26.243 1.00 0.00 C ATOM 0 H LEU B 44 20.256 10.397 26.525 1.00 0.00 H new ATOM 0 HA LEU B 44 19.054 7.689 26.307 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.570 8.893 27.488 1.00 0.00 H new ATOM 0 HB3 LEU B 44 18.048 10.424 26.783 1.00 0.00 H new ATOM 0 HG LEU B 44 16.860 9.831 24.694 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.336 7.902 24.652 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.039 7.407 24.797 1.00 0.00 H new ATOM 0 HD13 LEU B 44 15.976 7.368 26.224 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.579 10.084 25.573 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.169 9.692 27.205 1.00 0.00 H new ATOM 0 HD23 LEU B 44 15.733 11.167 26.386 1.00 0.00 H new ATOM 638 N VAL B 45 19.344 7.555 23.909 1.00 0.00 N ATOM 639 CA VAL B 45 19.439 7.414 22.466 1.00 0.00 C ATOM 640 C VAL B 45 18.097 6.927 21.916 1.00 0.00 C ATOM 641 O VAL B 45 17.768 5.747 22.029 1.00 0.00 O ATOM 642 CB VAL B 45 20.604 6.491 22.105 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.127 6.791 20.699 1.00 0.00 C ATOM 644 CG2 VAL B 45 21.725 6.592 23.141 1.00 0.00 C ATOM 0 H VAL B 45 19.414 6.680 24.429 1.00 0.00 H new ATOM 0 HA VAL B 45 19.650 8.377 22.002 1.00 0.00 H new ATOM 0 HB VAL B 45 20.233 5.466 22.112 1.00 0.00 H new ATOM 0 HG11 VAL B 45 21.955 6.121 20.468 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.327 6.643 19.974 1.00 0.00 H new ATOM 0 HG13 VAL B 45 21.473 7.824 20.652 1.00 0.00 H new ATOM 0 HG21 VAL B 45 22.541 5.926 22.860 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.092 7.618 23.181 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.342 6.305 24.120 1.00 0.00 H new ATOM 654 N ARG B 46 17.358 7.859 21.333 1.00 0.00 N ATOM 655 CA ARG B 46 16.060 7.539 20.765 1.00 0.00 C ATOM 656 C ARG B 46 16.121 7.588 19.238 1.00 0.00 C ATOM 657 O ARG B 46 16.334 8.650 18.655 1.00 0.00 O ATOM 658 CB ARG B 46 14.988 8.514 21.257 1.00 0.00 C ATOM 659 CG ARG B 46 15.028 8.651 22.781 1.00 0.00 C ATOM 660 CD ARG B 46 13.902 9.558 23.280 1.00 0.00 C ATOM 661 NE ARG B 46 14.235 10.974 23.008 1.00 0.00 N ATOM 662 CZ ARG B 46 13.509 12.021 23.453 1.00 0.00 C ATOM 663 NH1 ARG B 46 12.399 11.820 24.196 1.00 0.00 N ATOM 664 NH2 ARG B 46 13.899 13.246 23.150 1.00 0.00 N ATOM 0 H ARG B 46 17.634 8.837 21.242 1.00 0.00 H new ATOM 0 HA ARG B 46 15.796 6.532 21.089 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.140 9.490 20.797 1.00 0.00 H new ATOM 0 HB3 ARG B 46 14.004 8.165 20.946 1.00 0.00 H new ATOM 0 HG2 ARG B 46 14.938 7.667 23.241 1.00 0.00 H new ATOM 0 HG3 ARG B 46 15.991 9.059 23.088 1.00 0.00 H new ATOM 0 HD2 ARG B 46 12.966 9.295 22.787 1.00 0.00 H new ATOM 0 HD3 ARG B 46 13.752 9.410 24.349 1.00 0.00 H new ATOM 0 HE ARG B 46 15.065 11.171 22.449 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.103 10.871 24.425 1.00 0.00 H new ATOM 0 HH12 ARG B 46 11.856 12.617 24.528 1.00 0.00 H new ATOM 0 HH21 ARG B 46 14.738 13.390 22.588 1.00 0.00 H new ATOM 0 HH22 ARG B 46 13.361 14.048 23.478 1.00 0.00 H new ATOM 677 N TYR B 47 15.931 6.425 18.632 1.00 0.00 N ATOM 678 CA TYR B 47 15.962 6.322 17.183 1.00 0.00 C ATOM 679 C TYR B 47 14.546 6.282 16.605 1.00 0.00 C ATOM 680 O TYR B 47 13.688 5.558 17.107 1.00 0.00 O ATOM 681 CB TYR B 47 16.666 5.000 16.869 1.00 0.00 C ATOM 682 CG TYR B 47 16.872 4.745 15.375 1.00 0.00 C ATOM 683 CD1 TYR B 47 16.906 5.805 14.492 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.025 3.454 14.910 1.00 0.00 C ATOM 685 CE1 TYR B 47 17.100 5.564 13.085 1.00 0.00 C ATOM 686 CE2 TYR B 47 17.220 3.214 13.504 1.00 0.00 C ATOM 687 CZ TYR B 47 17.248 4.280 12.661 1.00 0.00 C ATOM 688 OH TYR B 47 17.431 4.053 11.332 1.00 0.00 O ATOM 0 H TYR B 47 15.755 5.546 19.118 1.00 0.00 H new ATOM 0 HA TYR B 47 16.473 7.181 16.748 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.636 4.990 17.366 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.083 4.181 17.290 1.00 0.00 H new ATOM 0 HD1 TYR B 47 16.787 6.815 14.856 1.00 0.00 H new ATOM 0 HD2 TYR B 47 16.998 2.624 15.601 1.00 0.00 H new ATOM 0 HE1 TYR B 47 17.127 6.384 12.383 1.00 0.00 H new ATOM 0 HE2 TYR B 47 17.341 2.209 13.127 1.00 0.00 H new ATOM 0 HH TYR B 47 17.555 3.093 11.178 1.00 0.00 H new ATOM 698 N ARG B 48 14.346 7.069 15.558 1.00 0.00 N ATOM 699 CA ARG B 48 13.048 7.132 14.907 1.00 0.00 C ATOM 700 C ARG B 48 13.215 7.459 13.422 1.00 0.00 C ATOM 701 O ARG B 48 13.609 8.570 13.067 1.00 0.00 O ATOM 702 CB ARG B 48 12.156 8.191 15.558 1.00 0.00 C ATOM 703 CG ARG B 48 12.910 9.511 15.733 1.00 0.00 C ATOM 704 CD ARG B 48 12.381 10.289 16.939 1.00 0.00 C ATOM 705 NE ARG B 48 12.353 11.737 16.635 1.00 0.00 N ATOM 706 CZ ARG B 48 13.455 12.491 16.437 1.00 0.00 C ATOM 707 NH1 ARG B 48 14.685 11.938 16.510 1.00 0.00 N ATOM 708 NH2 ARG B 48 13.313 13.776 16.171 1.00 0.00 N ATOM 0 H ARG B 48 15.060 7.668 15.144 1.00 0.00 H new ATOM 0 HA ARG B 48 12.574 6.157 15.017 1.00 0.00 H new ATOM 0 HB2 ARG B 48 11.270 8.353 14.944 1.00 0.00 H new ATOM 0 HB3 ARG B 48 11.810 7.834 16.528 1.00 0.00 H new ATOM 0 HG2 ARG B 48 13.974 9.312 15.862 1.00 0.00 H new ATOM 0 HG3 ARG B 48 12.806 10.115 14.832 1.00 0.00 H new ATOM 0 HD2 ARG B 48 11.379 9.943 17.194 1.00 0.00 H new ATOM 0 HD3 ARG B 48 13.013 10.104 17.807 1.00 0.00 H new ATOM 0 HE ARG B 48 11.443 12.194 16.571 1.00 0.00 H new ATOM 0 HH11 ARG B 48 14.786 10.944 16.716 1.00 0.00 H new ATOM 0 HH12 ARG B 48 15.513 12.514 16.359 1.00 0.00 H new ATOM 0 HH21 ARG B 48 12.380 14.186 16.118 1.00 0.00 H new ATOM 0 HH22 ARG B 48 14.136 14.359 16.019 1.00 0.00 H new ATOM 721 N ARG B 49 12.908 6.472 12.593 1.00 0.00 N ATOM 722 CA ARG B 49 13.019 6.641 11.154 1.00 0.00 C ATOM 723 C ARG B 49 12.607 5.355 10.435 1.00 0.00 C ATOM 724 O ARG B 49 12.447 4.311 11.066 1.00 0.00 O ATOM 725 CB ARG B 49 14.449 7.007 10.751 1.00 0.00 C ATOM 726 CG ARG B 49 14.472 7.719 9.398 1.00 0.00 C ATOM 727 CD ARG B 49 13.313 8.711 9.280 1.00 0.00 C ATOM 728 NE ARG B 49 13.222 9.532 10.508 1.00 0.00 N ATOM 729 CZ ARG B 49 12.088 10.123 10.941 1.00 0.00 C ATOM 730 NH1 ARG B 49 10.938 9.990 10.248 1.00 0.00 N ATOM 731 NH2 ARG B 49 12.122 10.834 12.053 1.00 0.00 N ATOM 0 H ARG B 49 12.582 5.552 12.890 1.00 0.00 H new ATOM 0 HA ARG B 49 12.353 7.453 10.863 1.00 0.00 H new ATOM 0 HB2 ARG B 49 14.892 7.650 11.512 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.059 6.105 10.702 1.00 0.00 H new ATOM 0 HG2 ARG B 49 15.419 8.245 9.276 1.00 0.00 H new ATOM 0 HG3 ARG B 49 14.409 6.984 8.595 1.00 0.00 H new ATOM 0 HD2 ARG B 49 13.461 9.354 8.413 1.00 0.00 H new ATOM 0 HD3 ARG B 49 12.378 8.173 9.122 1.00 0.00 H new ATOM 0 HE ARG B 49 14.069 9.659 11.062 1.00 0.00 H new ATOM 0 HH11 ARG B 49 10.921 9.439 9.390 1.00 0.00 H new ATOM 0 HH12 ARG B 49 10.086 10.440 10.583 1.00 0.00 H new ATOM 0 HH21 ARG B 49 12.996 10.930 12.570 1.00 0.00 H new ATOM 0 HH22 ARG B 49 11.275 11.287 12.395 1.00 0.00 H new ATOM 744 N CYS B 50 12.447 5.473 9.125 1.00 0.00 N ATOM 745 CA CYS B 50 12.056 4.332 8.314 1.00 0.00 C ATOM 746 C CYS B 50 12.739 4.456 6.951 1.00 0.00 C ATOM 747 O CYS B 50 13.407 5.452 6.675 1.00 0.00 O ATOM 748 CB CYS B 50 10.536 4.225 8.183 1.00 0.00 C ATOM 749 SG CYS B 50 9.608 4.545 9.727 1.00 0.00 S ATOM 0 H CYS B 50 12.581 6.340 8.605 1.00 0.00 H new ATOM 0 HA CYS B 50 12.378 3.410 8.799 1.00 0.00 H new ATOM 0 HB2 CYS B 50 10.201 4.929 7.422 1.00 0.00 H new ATOM 0 HB3 CYS B 50 10.286 3.226 7.826 1.00 0.00 H new ATOM 754 N TRP B 51 12.549 3.431 6.133 1.00 0.00 N ATOM 755 CA TRP B 51 13.138 3.413 4.805 1.00 0.00 C ATOM 756 C TRP B 51 12.060 2.965 3.816 1.00 0.00 C ATOM 757 O TRP B 51 11.916 1.773 3.548 1.00 0.00 O ATOM 758 CB TRP B 51 14.386 2.528 4.771 1.00 0.00 C ATOM 759 CG TRP B 51 15.645 3.207 5.315 1.00 0.00 C ATOM 760 CD1 TRP B 51 16.398 4.144 4.722 1.00 0.00 C ATOM 761 CD2 TRP B 51 16.271 2.962 6.592 1.00 0.00 C ATOM 762 NE1 TRP B 51 17.459 4.519 5.521 1.00 0.00 N ATOM 763 CE2 TRP B 51 17.379 3.777 6.694 1.00 0.00 C ATOM 764 CE3 TRP B 51 15.912 2.081 7.627 1.00 0.00 C ATOM 765 CZ2 TRP B 51 18.219 3.793 7.814 1.00 0.00 C ATOM 766 CZ3 TRP B 51 16.761 2.108 8.739 1.00 0.00 C ATOM 767 CH2 TRP B 51 17.881 2.923 8.857 1.00 0.00 C ATOM 0 H TRP B 51 11.995 2.607 6.365 1.00 0.00 H new ATOM 0 HA TRP B 51 13.479 4.408 4.521 1.00 0.00 H new ATOM 0 HB2 TRP B 51 14.194 1.624 5.350 1.00 0.00 H new ATOM 0 HB3 TRP B 51 14.569 2.215 3.743 1.00 0.00 H new ATOM 0 HD1 TRP B 51 16.200 4.554 3.743 1.00 0.00 H new ATOM 0 HE1 TRP B 51 18.171 5.213 5.293 1.00 0.00 H new ATOM 0 HE3 TRP B 51 15.049 1.434 7.568 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 19.081 4.441 7.870 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 16.530 1.450 9.563 1.00 0.00 H new ATOM 0 HH2 TRP B 51 18.488 2.885 9.750 1.00 0.00 H new TER 778 TRP B 51