USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -130:sc= -3.09! 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= -2.82! USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N TRP A 2 7.372 -4.888 3.954 1.00 0.00 N ATOM 25 CA TRP A 2 7.511 -3.792 4.898 1.00 0.00 C ATOM 26 C TRP A 2 7.461 -4.377 6.311 1.00 0.00 C ATOM 27 O TRP A 2 6.530 -5.105 6.653 1.00 0.00 O ATOM 28 CB TRP A 2 6.445 -2.721 4.656 1.00 0.00 C ATOM 29 CG TRP A 2 5.992 -2.613 3.199 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.741 -2.515 2.729 1.00 0.00 C ATOM 31 CD2 TRP A 2 6.842 -2.596 2.033 1.00 0.00 C ATOM 32 NE1 TRP A 2 4.722 -2.436 1.351 1.00 0.00 N ATOM 33 CE2 TRP A 2 6.041 -2.487 0.915 1.00 0.00 C ATOM 34 CE3 TRP A 2 8.242 -2.670 1.926 1.00 0.00 C ATOM 35 CZ2 TRP A 2 6.547 -2.442 -0.390 1.00 0.00 C ATOM 36 CZ3 TRP A 2 8.732 -2.624 0.616 1.00 0.00 C ATOM 37 CH2 TRP A 2 7.939 -2.514 -0.520 1.00 0.00 C ATOM 0 HA TRP A 2 8.467 -3.286 4.764 1.00 0.00 H new ATOM 0 HB2 TRP A 2 5.578 -2.938 5.280 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.835 -1.755 4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 2 3.858 -2.500 3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 2 3.893 -2.355 0.762 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.888 -2.756 2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.899 -2.356 -1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 9.802 -2.678 0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 2 8.395 -2.484 -1.499 1.00 0.00 H new ATOM 48 N CYS A 3 8.473 -4.035 7.095 1.00 0.00 N ATOM 49 CA CYS A 3 8.556 -4.517 8.463 1.00 0.00 C ATOM 50 C CYS A 3 8.916 -3.337 9.367 1.00 0.00 C ATOM 51 O CYS A 3 9.155 -2.231 8.884 1.00 0.00 O ATOM 52 CB CYS A 3 9.557 -5.666 8.599 1.00 0.00 C ATOM 53 SG CYS A 3 8.892 -7.317 8.175 1.00 0.00 S ATOM 0 H CYS A 3 9.242 -3.430 6.809 1.00 0.00 H new ATOM 0 HA CYS A 3 7.592 -4.925 8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.415 -5.460 7.959 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.924 -5.690 9.625 1.00 0.00 H new ATOM 58 N VAL A 4 8.944 -3.611 10.663 1.00 0.00 N ATOM 59 CA VAL A 4 9.271 -2.586 11.639 1.00 0.00 C ATOM 60 C VAL A 4 9.946 -3.236 12.848 1.00 0.00 C ATOM 61 O VAL A 4 9.443 -4.219 13.390 1.00 0.00 O ATOM 62 CB VAL A 4 8.014 -1.795 12.008 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.029 -1.753 10.838 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.353 -2.371 13.262 1.00 0.00 C ATOM 0 H VAL A 4 8.745 -4.529 11.060 1.00 0.00 H new ATOM 0 HA VAL A 4 9.977 -1.870 11.219 1.00 0.00 H new ATOM 0 HB VAL A 4 8.315 -0.771 12.228 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.145 -1.185 11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.503 -1.275 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.737 -2.769 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.462 -1.791 13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.073 -3.409 13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.053 -2.324 14.096 1.00 0.00 H new ATOM 74 N TYR A 5 11.074 -2.660 13.237 1.00 0.00 N ATOM 75 CA TYR A 5 11.823 -3.171 14.373 1.00 0.00 C ATOM 76 C TYR A 5 12.043 -2.078 15.420 1.00 0.00 C ATOM 77 O TYR A 5 12.531 -0.995 15.100 1.00 0.00 O ATOM 78 CB TYR A 5 13.179 -3.612 13.819 1.00 0.00 C ATOM 79 CG TYR A 5 13.219 -5.070 13.358 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.601 -6.049 14.109 1.00 0.00 C ATOM 81 CD2 TYR A 5 13.873 -5.406 12.190 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.639 -7.421 13.674 1.00 0.00 C ATOM 83 CE2 TYR A 5 13.911 -6.778 11.755 1.00 0.00 C ATOM 84 CZ TYR A 5 13.291 -7.718 12.519 1.00 0.00 C ATOM 85 OH TYR A 5 13.327 -9.014 12.108 1.00 0.00 O ATOM 0 H TYR A 5 11.488 -1.844 12.786 1.00 0.00 H new ATOM 0 HA TYR A 5 11.283 -3.986 14.854 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.443 -2.969 12.980 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.939 -3.463 14.586 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.089 -5.786 15.023 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.356 -4.640 11.602 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.160 -8.197 14.253 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.420 -7.055 10.843 1.00 0.00 H new ATOM 0 HH TYR A 5 13.826 -9.077 11.267 1.00 0.00 H new ATOM 95 N ALA A 6 11.673 -2.400 16.651 1.00 0.00 N ATOM 96 CA ALA A 6 11.825 -1.459 17.748 1.00 0.00 C ATOM 97 C ALA A 6 12.596 -2.129 18.887 1.00 0.00 C ATOM 98 O ALA A 6 12.507 -3.342 19.073 1.00 0.00 O ATOM 99 CB ALA A 6 10.446 -0.964 18.191 1.00 0.00 C ATOM 0 H ALA A 6 11.268 -3.299 16.913 1.00 0.00 H new ATOM 0 HA ALA A 6 12.398 -0.588 17.429 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.560 -0.258 19.014 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.951 -0.470 17.355 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.844 -1.811 18.520 1.00 0.00 H new ATOM 105 N TYR A 7 13.338 -1.310 19.619 1.00 0.00 N ATOM 106 CA TYR A 7 14.124 -1.809 20.734 1.00 0.00 C ATOM 107 C TYR A 7 14.250 -0.751 21.832 1.00 0.00 C ATOM 108 O TYR A 7 14.838 0.307 21.615 1.00 0.00 O ATOM 109 CB TYR A 7 15.514 -2.108 20.169 1.00 0.00 C ATOM 110 CG TYR A 7 16.509 -2.630 21.207 1.00 0.00 C ATOM 111 CD1 TYR A 7 16.990 -1.786 22.187 1.00 0.00 C ATOM 112 CD2 TYR A 7 16.926 -3.945 21.164 1.00 0.00 C ATOM 113 CE1 TYR A 7 17.927 -2.277 23.165 1.00 0.00 C ATOM 114 CE2 TYR A 7 17.862 -4.436 22.141 1.00 0.00 C ATOM 115 CZ TYR A 7 18.316 -3.578 23.094 1.00 0.00 C ATOM 116 OH TYR A 7 19.201 -4.042 24.017 1.00 0.00 O ATOM 0 H TYR A 7 13.411 -0.305 19.461 1.00 0.00 H new ATOM 0 HA TYR A 7 13.653 -2.688 21.173 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.420 -2.843 19.370 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.916 -1.199 19.721 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.664 -0.757 22.221 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.550 -4.606 20.397 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.312 -1.627 23.937 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.196 -5.463 22.118 1.00 0.00 H new ATOM 0 HH TYR A 7 19.934 -4.507 23.562 1.00 0.00 H new ATOM 126 N VAL A 8 13.689 -1.075 22.988 1.00 0.00 N ATOM 127 CA VAL A 8 13.731 -0.165 24.120 1.00 0.00 C ATOM 128 C VAL A 8 14.491 -0.827 25.272 1.00 0.00 C ATOM 129 O VAL A 8 14.252 -1.991 25.591 1.00 0.00 O ATOM 130 CB VAL A 8 12.311 0.257 24.506 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.336 1.425 25.493 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.487 0.605 23.264 1.00 0.00 C ATOM 0 H VAL A 8 13.203 -1.954 23.165 1.00 0.00 H new ATOM 0 HA VAL A 8 14.267 0.747 23.857 1.00 0.00 H new ATOM 0 HB VAL A 8 11.832 -0.588 25.000 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.315 1.705 25.751 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.870 1.127 26.396 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.842 2.276 25.037 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.482 0.902 23.565 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.963 1.427 22.730 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.428 -0.266 22.611 1.00 0.00 H new ATOM 142 N ARG A 9 15.391 -0.056 25.864 1.00 0.00 N ATOM 143 CA ARG A 9 16.188 -0.553 26.974 1.00 0.00 C ATOM 144 C ARG A 9 16.508 0.583 27.947 1.00 0.00 C ATOM 145 O ARG A 9 17.164 1.555 27.578 1.00 0.00 O ATOM 146 CB ARG A 9 17.495 -1.175 26.478 1.00 0.00 C ATOM 147 CG ARG A 9 18.556 -1.172 27.580 1.00 0.00 C ATOM 148 CD ARG A 9 19.791 -1.968 27.154 1.00 0.00 C ATOM 149 NE ARG A 9 20.986 -1.096 27.173 1.00 0.00 N ATOM 150 CZ ARG A 9 22.248 -1.544 27.345 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.490 -2.861 27.515 1.00 0.00 N ATOM 152 NH2 ARG A 9 23.242 -0.675 27.345 1.00 0.00 N ATOM 0 H ARG A 9 15.586 0.909 25.597 1.00 0.00 H new ATOM 0 HA ARG A 9 15.605 -1.320 27.485 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.313 -2.197 26.147 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.861 -0.620 25.614 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.842 -0.146 27.811 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.140 -1.600 28.492 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.938 -2.814 27.825 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.644 -2.376 26.154 1.00 0.00 H new ATOM 0 HE ARG A 9 20.848 -0.093 27.048 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.717 -3.526 27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.446 -3.191 27.644 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.051 0.319 27.216 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.201 -0.997 27.474 1.00 0.00 H new ATOM 165 N ILE A 10 16.030 0.422 29.172 1.00 0.00 N ATOM 166 CA ILE A 10 16.258 1.421 30.202 1.00 0.00 C ATOM 167 C ILE A 10 16.301 0.738 31.570 1.00 0.00 C ATOM 168 O ILE A 10 15.704 -0.321 31.758 1.00 0.00 O ATOM 169 CB ILE A 10 15.215 2.537 30.105 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.714 2.696 28.668 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.762 3.850 30.669 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.584 3.725 28.592 1.00 0.00 C ATOM 0 H ILE A 10 15.486 -0.386 29.475 1.00 0.00 H new ATOM 0 HA ILE A 10 17.224 1.904 30.056 1.00 0.00 H new ATOM 0 HB ILE A 10 14.357 2.256 30.716 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.537 3.006 28.024 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.361 1.735 28.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.001 4.626 30.588 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.030 3.712 31.717 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.646 4.148 30.105 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.246 3.819 27.560 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.753 3.400 29.218 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.947 4.691 28.944 1.00 0.00 H new ATOM 184 N ARG A 11 17.014 1.371 32.490 1.00 0.00 N ATOM 185 CA ARG A 11 17.143 0.837 33.835 1.00 0.00 C ATOM 186 C ARG A 11 17.778 -0.554 33.795 1.00 0.00 C ATOM 187 O ARG A 11 18.984 -0.696 33.990 1.00 0.00 O ATOM 188 CB ARG A 11 15.780 0.749 34.526 1.00 0.00 C ATOM 189 CG ARG A 11 15.429 2.068 35.217 1.00 0.00 C ATOM 190 CD ARG A 11 14.294 2.786 34.484 1.00 0.00 C ATOM 191 NE ARG A 11 13.615 3.728 35.401 1.00 0.00 N ATOM 192 CZ ARG A 11 12.648 4.590 35.021 1.00 0.00 C ATOM 193 NH1 ARG A 11 12.238 4.636 33.736 1.00 0.00 N ATOM 194 NH2 ARG A 11 12.111 5.388 35.925 1.00 0.00 N ATOM 0 H ARG A 11 17.508 2.249 32.330 1.00 0.00 H new ATOM 0 HA ARG A 11 17.781 1.515 34.401 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.012 0.503 33.793 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.791 -0.058 35.259 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.136 1.875 36.249 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.309 2.711 35.250 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.690 3.325 33.623 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.578 2.058 34.102 1.00 0.00 H new ATOM 0 HE ARG A 11 13.895 3.726 36.382 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.659 4.017 33.044 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.507 5.290 33.457 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.428 5.347 36.894 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.379 6.045 35.655 1.00 0.00 H new ATOM 207 N GLY A 12 16.937 -1.546 33.541 1.00 0.00 N ATOM 208 CA GLY A 12 17.401 -2.921 33.473 1.00 0.00 C ATOM 209 C GLY A 12 16.389 -3.806 32.742 1.00 0.00 C ATOM 210 O GLY A 12 16.327 -5.011 32.979 1.00 0.00 O ATOM 0 H GLY A 12 15.937 -1.425 33.380 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.361 -2.959 32.959 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.563 -3.304 34.480 1.00 0.00 H new ATOM 214 N VAL A 13 15.621 -3.173 31.867 1.00 0.00 N ATOM 215 CA VAL A 13 14.615 -3.887 31.100 1.00 0.00 C ATOM 216 C VAL A 13 14.884 -3.691 29.607 1.00 0.00 C ATOM 217 O VAL A 13 15.492 -2.699 29.207 1.00 0.00 O ATOM 218 CB VAL A 13 13.216 -3.432 31.520 1.00 0.00 C ATOM 219 CG1 VAL A 13 12.138 -4.146 30.701 1.00 0.00 C ATOM 220 CG2 VAL A 13 12.997 -3.644 33.019 1.00 0.00 C ATOM 0 H VAL A 13 15.676 -2.173 31.672 1.00 0.00 H new ATOM 0 HA VAL A 13 14.669 -4.957 31.302 1.00 0.00 H new ATOM 0 HB VAL A 13 13.137 -2.364 31.318 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.153 -3.804 31.020 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.276 -3.921 29.643 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.216 -5.222 30.856 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.995 -3.312 33.291 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.106 -4.702 33.257 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.734 -3.069 33.579 1.00 0.00 H new ATOM 230 N LEU A 14 14.419 -4.652 28.823 1.00 0.00 N ATOM 231 CA LEU A 14 14.602 -4.598 27.382 1.00 0.00 C ATOM 232 C LEU A 14 13.320 -5.067 26.691 1.00 0.00 C ATOM 233 O LEU A 14 12.962 -6.241 26.770 1.00 0.00 O ATOM 234 CB LEU A 14 15.846 -5.388 26.970 1.00 0.00 C ATOM 235 CG LEU A 14 16.106 -5.493 25.466 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.609 -4.245 24.735 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.584 -5.772 25.183 1.00 0.00 C ATOM 0 H LEU A 14 13.915 -5.473 29.158 1.00 0.00 H new ATOM 0 HA LEU A 14 14.782 -3.572 27.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.716 -4.927 27.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.763 -6.396 27.375 1.00 0.00 H new ATOM 0 HG LEU A 14 15.538 -6.340 25.080 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.806 -4.346 23.668 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.537 -4.131 24.897 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.129 -3.367 25.119 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.741 -5.842 24.107 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.191 -4.962 25.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.874 -6.711 25.654 1.00 0.00 H new ATOM 249 N VAL A 15 12.664 -4.124 26.030 1.00 0.00 N ATOM 250 CA VAL A 15 11.429 -4.426 25.326 1.00 0.00 C ATOM 251 C VAL A 15 11.654 -4.268 23.821 1.00 0.00 C ATOM 252 O VAL A 15 11.534 -3.168 23.284 1.00 0.00 O ATOM 253 CB VAL A 15 10.296 -3.546 25.857 1.00 0.00 C ATOM 254 CG1 VAL A 15 8.938 -4.223 25.660 1.00 0.00 C ATOM 255 CG2 VAL A 15 10.522 -3.188 27.327 1.00 0.00 C ATOM 0 H VAL A 15 12.964 -3.151 25.967 1.00 0.00 H new ATOM 0 HA VAL A 15 11.130 -5.459 25.503 1.00 0.00 H new ATOM 0 HB VAL A 15 10.295 -2.619 25.283 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.150 -3.577 26.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.772 -4.403 24.598 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.924 -5.172 26.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.702 -2.562 27.679 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.563 -4.101 27.922 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.462 -2.646 27.429 1.00 0.00 H new ATOM 265 N ARG A 16 11.976 -5.384 23.183 1.00 0.00 N ATOM 266 CA ARG A 16 12.219 -5.383 21.750 1.00 0.00 C ATOM 267 C ARG A 16 10.917 -5.649 20.991 1.00 0.00 C ATOM 268 O ARG A 16 10.460 -6.788 20.915 1.00 0.00 O ATOM 269 CB ARG A 16 13.251 -6.446 21.366 1.00 0.00 C ATOM 270 CG ARG A 16 14.659 -6.020 21.786 1.00 0.00 C ATOM 271 CD ARG A 16 15.716 -6.941 21.174 1.00 0.00 C ATOM 272 NE ARG A 16 15.673 -6.851 19.698 1.00 0.00 N ATOM 273 CZ ARG A 16 14.900 -7.631 18.914 1.00 0.00 C ATOM 274 NH1 ARG A 16 14.096 -8.568 19.459 1.00 0.00 N ATOM 275 NH2 ARG A 16 14.941 -7.463 17.605 1.00 0.00 N ATOM 0 H ARG A 16 12.074 -6.295 23.632 1.00 0.00 H new ATOM 0 HA ARG A 16 12.607 -4.401 21.480 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.997 -7.393 21.842 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.224 -6.612 20.289 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.841 -4.992 21.471 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.740 -6.040 22.873 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.706 -6.662 21.535 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.540 -7.970 21.489 1.00 0.00 H new ATOM 0 HE ARG A 16 16.265 -6.155 19.244 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.069 -8.691 20.471 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.515 -9.153 18.859 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.551 -6.752 17.201 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.363 -8.044 16.998 1.00 0.00 H new ATOM 288 N TYR A 17 10.357 -4.577 20.449 1.00 0.00 N ATOM 289 CA TYR A 17 9.117 -4.680 19.698 1.00 0.00 C ATOM 290 C TYR A 17 9.393 -4.941 18.216 1.00 0.00 C ATOM 291 O TYR A 17 10.475 -4.633 17.719 1.00 0.00 O ATOM 292 CB TYR A 17 8.422 -3.325 19.845 1.00 0.00 C ATOM 293 CG TYR A 17 6.895 -3.401 19.803 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.185 -3.656 20.959 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.227 -3.215 18.610 1.00 0.00 C ATOM 296 CE1 TYR A 17 4.747 -3.728 20.919 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.789 -3.287 18.571 1.00 0.00 C ATOM 298 CZ TYR A 17 4.120 -3.540 19.727 1.00 0.00 C ATOM 299 OH TYR A 17 2.762 -3.607 19.690 1.00 0.00 O ATOM 0 H TYR A 17 10.739 -3.633 20.515 1.00 0.00 H new ATOM 0 HA TYR A 17 8.509 -5.504 20.071 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.727 -2.872 20.788 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.765 -2.664 19.049 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.707 -3.801 21.893 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.782 -3.015 17.706 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.179 -3.927 21.816 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.254 -3.143 17.644 1.00 0.00 H new ATOM 0 HH TYR A 17 2.452 -3.452 18.773 1.00 0.00 H new ATOM 309 N ARG A 18 8.396 -5.507 17.552 1.00 0.00 N ATOM 310 CA ARG A 18 8.518 -5.813 16.137 1.00 0.00 C ATOM 311 C ARG A 18 7.141 -5.790 15.469 1.00 0.00 C ATOM 312 O ARG A 18 6.121 -5.673 16.145 1.00 0.00 O ATOM 313 CB ARG A 18 9.158 -7.185 15.923 1.00 0.00 C ATOM 314 CG ARG A 18 8.690 -8.181 16.986 1.00 0.00 C ATOM 315 CD ARG A 18 9.496 -9.479 16.916 1.00 0.00 C ATOM 316 NE ARG A 18 9.040 -10.297 15.771 1.00 0.00 N ATOM 317 CZ ARG A 18 9.704 -11.373 15.297 1.00 0.00 C ATOM 318 NH1 ARG A 18 10.862 -11.770 15.867 1.00 0.00 N ATOM 319 NH2 ARG A 18 9.205 -12.031 14.267 1.00 0.00 N ATOM 0 H ARG A 18 7.500 -5.762 17.968 1.00 0.00 H new ATOM 0 HA ARG A 18 9.157 -5.053 15.687 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.902 -7.559 14.932 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.244 -7.093 15.959 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.795 -7.737 17.976 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.631 -8.398 16.844 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.557 -9.253 16.812 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.379 -10.040 17.843 1.00 0.00 H new ATOM 0 HE ARG A 18 8.169 -10.032 15.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.242 -11.256 16.662 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.357 -12.584 15.503 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.330 -11.724 13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.694 -12.846 13.897 1.00 0.00 H new ATOM 332 N ARG A 19 7.158 -5.905 14.149 1.00 0.00 N ATOM 333 CA ARG A 19 5.924 -5.899 13.382 1.00 0.00 C ATOM 334 C ARG A 19 6.226 -6.035 11.888 1.00 0.00 C ATOM 335 O ARG A 19 7.298 -5.641 11.430 1.00 0.00 O ATOM 336 CB ARG A 19 5.133 -4.611 13.620 1.00 0.00 C ATOM 337 CG ARG A 19 3.634 -4.843 13.419 1.00 0.00 C ATOM 338 CD ARG A 19 3.228 -4.577 11.967 1.00 0.00 C ATOM 339 NE ARG A 19 2.034 -3.704 11.928 1.00 0.00 N ATOM 340 CZ ARG A 19 2.075 -2.359 12.035 1.00 0.00 C ATOM 341 NH1 ARG A 19 3.253 -1.720 12.188 1.00 0.00 N ATOM 342 NH2 ARG A 19 0.945 -1.679 11.986 1.00 0.00 N ATOM 0 H ARG A 19 8.007 -6.003 13.591 1.00 0.00 H new ATOM 0 HA ARG A 19 5.324 -6.747 13.714 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.316 -4.249 14.632 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.479 -3.836 12.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.382 -5.868 13.689 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.069 -4.190 14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.051 -4.105 11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.017 -5.519 11.461 1.00 0.00 H new ATOM 0 HE ARG A 19 1.122 -4.147 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.122 -2.253 12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.275 -0.703 12.268 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.059 -2.170 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.958 -0.662 12.065 1.00 0.00 H new ATOM 355 N CYS A 20 5.263 -6.592 11.170 1.00 0.00 N ATOM 356 CA CYS A 20 5.413 -6.784 9.737 1.00 0.00 C ATOM 357 C CYS A 20 4.025 -6.726 9.097 1.00 0.00 C ATOM 358 O CYS A 20 3.019 -6.963 9.764 1.00 0.00 O ATOM 359 CB CYS A 20 6.137 -8.093 9.415 1.00 0.00 C ATOM 360 SG CYS A 20 7.937 -8.075 9.742 1.00 0.00 S ATOM 0 H CYS A 20 4.375 -6.917 11.553 1.00 0.00 H new ATOM 0 HA CYS A 20 6.035 -5.990 9.324 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.684 -8.895 9.998 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.975 -8.332 8.364 1.00 0.00 H new ATOM 365 N TRP A 21 4.014 -6.411 7.810 1.00 0.00 N ATOM 366 CA TRP A 21 2.766 -6.320 7.072 1.00 0.00 C ATOM 367 C TRP A 21 2.737 -7.457 6.049 1.00 0.00 C ATOM 368 O TRP A 21 3.486 -8.426 6.171 1.00 0.00 O ATOM 369 CB TRP A 21 2.606 -4.938 6.435 1.00 0.00 C ATOM 370 CG TRP A 21 1.961 -3.900 7.354 1.00 0.00 C ATOM 371 CD1 TRP A 21 0.689 -3.846 7.774 1.00 0.00 C ATOM 372 CD2 TRP A 21 2.612 -2.760 7.955 1.00 0.00 C ATOM 373 NE1 TRP A 21 0.474 -2.760 8.598 1.00 0.00 N ATOM 374 CE2 TRP A 21 1.681 -2.079 8.711 1.00 0.00 C ATOM 375 CE3 TRP A 21 3.944 -2.320 7.862 1.00 0.00 C ATOM 376 CZ2 TRP A 21 1.981 -0.917 9.433 1.00 0.00 C ATOM 377 CZ3 TRP A 21 4.228 -1.158 8.588 1.00 0.00 C ATOM 378 CH2 TRP A 21 3.302 -0.460 9.355 1.00 0.00 C ATOM 0 H TRP A 21 4.850 -6.216 7.259 1.00 0.00 H new ATOM 0 HA TRP A 21 1.913 -6.433 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.587 -4.576 6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 21 2.003 -5.033 5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.072 -4.562 7.502 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.408 -2.504 9.042 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.689 -2.838 7.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 1.234 -0.401 10.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.238 -0.776 8.550 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.600 0.431 9.888 1.00 0.00 H new ATOM 390 N ARG B 31 8.186 -0.390 3.271 1.00 0.00 N ATOM 391 CA ARG B 31 8.758 0.531 4.239 1.00 0.00 C ATOM 392 C ARG B 31 9.399 -0.243 5.393 1.00 0.00 C ATOM 393 O ARG B 31 9.080 -1.411 5.614 1.00 0.00 O ATOM 394 CB ARG B 31 7.692 1.475 4.797 1.00 0.00 C ATOM 395 CG ARG B 31 7.202 2.447 3.722 1.00 0.00 C ATOM 396 CD ARG B 31 6.053 1.839 2.915 1.00 0.00 C ATOM 397 NE ARG B 31 4.882 1.617 3.791 1.00 0.00 N ATOM 398 CZ ARG B 31 3.817 0.858 3.454 1.00 0.00 C ATOM 399 NH1 ARG B 31 3.768 0.241 2.254 1.00 0.00 N ATOM 400 NH2 ARG B 31 2.825 0.729 4.315 1.00 0.00 N ATOM 0 HA ARG B 31 9.518 1.122 3.727 1.00 0.00 H new ATOM 0 HB2 ARG B 31 6.851 0.895 5.178 1.00 0.00 H new ATOM 0 HB3 ARG B 31 8.101 2.034 5.638 1.00 0.00 H new ATOM 0 HG2 ARG B 31 6.872 3.375 4.189 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.025 2.701 3.054 1.00 0.00 H new ATOM 0 HD2 ARG B 31 5.783 2.503 2.094 1.00 0.00 H new ATOM 0 HD3 ARG B 31 6.369 0.895 2.471 1.00 0.00 H new ATOM 0 HE ARG B 31 4.879 2.065 4.707 1.00 0.00 H new ATOM 0 HH11 ARG B 31 4.539 0.346 1.594 1.00 0.00 H new ATOM 0 HH12 ARG B 31 2.960 -0.331 2.007 1.00 0.00 H new ATOM 0 HH21 ARG B 31 2.870 1.199 5.219 1.00 0.00 H new ATOM 0 HH22 ARG B 31 2.013 0.159 4.076 1.00 0.00 H new ATOM 413 N TRP B 32 10.291 0.438 6.097 1.00 0.00 N ATOM 414 CA TRP B 32 10.979 -0.172 7.222 1.00 0.00 C ATOM 415 C TRP B 32 11.055 0.864 8.346 1.00 0.00 C ATOM 416 O TRP B 32 11.851 1.799 8.281 1.00 0.00 O ATOM 417 CB TRP B 32 12.352 -0.701 6.803 1.00 0.00 C ATOM 418 CG TRP B 32 12.341 -2.159 6.340 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.199 -2.627 5.092 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.486 -3.328 7.174 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.241 -4.006 5.061 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.421 -4.446 6.368 1.00 0.00 C ATOM 423 CE3 TRP B 32 12.665 -3.437 8.564 1.00 0.00 C ATOM 424 CZ2 TRP B 32 12.526 -5.753 6.859 1.00 0.00 C ATOM 425 CZ3 TRP B 32 12.769 -4.750 9.039 1.00 0.00 C ATOM 426 CH2 TRP B 32 12.706 -5.886 8.241 1.00 0.00 C ATOM 0 H TRP B 32 10.553 1.406 5.910 1.00 0.00 H new ATOM 0 HA TRP B 32 10.431 -1.041 7.585 1.00 0.00 H new ATOM 0 HB2 TRP B 32 12.740 -0.077 5.998 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.040 -0.602 7.643 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.068 -2.003 4.220 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.156 -4.594 4.232 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.718 -2.576 9.214 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.471 -6.612 6.207 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.908 -4.890 10.101 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.795 -6.867 8.685 1.00 0.00 H new ATOM 437 N CYS B 33 10.216 0.661 9.351 1.00 0.00 N ATOM 438 CA CYS B 33 10.178 1.565 10.488 1.00 0.00 C ATOM 439 C CYS B 33 11.188 1.073 11.527 1.00 0.00 C ATOM 440 O CYS B 33 11.483 -0.119 11.595 1.00 0.00 O ATOM 441 CB CYS B 33 8.769 1.681 11.072 1.00 0.00 C ATOM 442 SG CYS B 33 7.751 3.024 10.360 1.00 0.00 S ATOM 0 H CYS B 33 9.557 -0.116 9.402 1.00 0.00 H new ATOM 0 HA CYS B 33 10.450 2.570 10.166 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.250 0.734 10.924 1.00 0.00 H new ATOM 0 HB3 CYS B 33 8.849 1.836 12.148 1.00 0.00 H new ATOM 447 N VAL B 34 11.691 2.016 12.310 1.00 0.00 N ATOM 448 CA VAL B 34 12.661 1.694 13.342 1.00 0.00 C ATOM 449 C VAL B 34 12.522 2.689 14.496 1.00 0.00 C ATOM 450 O VAL B 34 12.652 3.896 14.298 1.00 0.00 O ATOM 451 CB VAL B 34 14.069 1.663 12.745 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.082 0.920 11.408 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.630 3.078 12.592 1.00 0.00 C ATOM 0 H VAL B 34 11.445 3.004 12.250 1.00 0.00 H new ATOM 0 HA VAL B 34 12.472 0.700 13.747 1.00 0.00 H new ATOM 0 HB VAL B 34 14.714 1.120 13.436 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.095 0.913 11.006 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.744 -0.105 11.558 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.416 1.422 10.706 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.632 3.028 12.166 1.00 0.00 H new ATOM 0 HG22 VAL B 34 13.983 3.656 11.932 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.675 3.559 13.569 1.00 0.00 H new ATOM 463 N TYR B 35 12.260 2.146 15.676 1.00 0.00 N ATOM 464 CA TYR B 35 12.102 2.971 16.861 1.00 0.00 C ATOM 465 C TYR B 35 12.647 2.259 18.101 1.00 0.00 C ATOM 466 O TYR B 35 12.126 1.220 18.504 1.00 0.00 O ATOM 467 CB TYR B 35 10.596 3.182 17.030 1.00 0.00 C ATOM 468 CG TYR B 35 10.225 4.512 17.690 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.262 4.634 19.065 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.852 5.589 16.912 1.00 0.00 C ATOM 471 CE1 TYR B 35 9.912 5.885 19.686 1.00 0.00 C ATOM 472 CE2 TYR B 35 9.503 6.840 17.533 1.00 0.00 C ATOM 473 CZ TYR B 35 9.550 6.926 18.890 1.00 0.00 C ATOM 474 OH TYR B 35 9.220 8.108 19.477 1.00 0.00 O ATOM 0 H TYR B 35 12.153 1.144 15.836 1.00 0.00 H new ATOM 0 HA TYR B 35 12.646 3.909 16.751 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.120 3.128 16.051 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.190 2.366 17.627 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.553 3.791 19.674 1.00 0.00 H new ATOM 0 HD2 TYR B 35 9.822 5.493 15.837 1.00 0.00 H new ATOM 0 HE1 TYR B 35 9.936 5.994 20.760 1.00 0.00 H new ATOM 0 HE2 TYR B 35 9.211 7.691 16.935 1.00 0.00 H new ATOM 0 HH TYR B 35 8.984 8.762 18.786 1.00 0.00 H new ATOM 484 N ALA B 36 13.688 2.847 18.671 1.00 0.00 N ATOM 485 CA ALA B 36 14.310 2.283 19.857 1.00 0.00 C ATOM 486 C ALA B 36 14.544 3.394 20.883 1.00 0.00 C ATOM 487 O ALA B 36 14.530 4.574 20.538 1.00 0.00 O ATOM 488 CB ALA B 36 15.605 1.569 19.464 1.00 0.00 C ATOM 0 H ALA B 36 14.117 3.709 18.334 1.00 0.00 H new ATOM 0 HA ALA B 36 13.656 1.542 20.318 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.072 1.146 20.354 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.380 0.770 18.757 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.287 2.282 19.001 1.00 0.00 H new ATOM 494 N TYR B 37 14.754 2.976 22.123 1.00 0.00 N ATOM 495 CA TYR B 37 14.991 3.921 23.201 1.00 0.00 C ATOM 496 C TYR B 37 15.912 3.320 24.264 1.00 0.00 C ATOM 497 O TYR B 37 15.446 2.854 25.303 1.00 0.00 O ATOM 498 CB TYR B 37 13.623 4.198 23.826 1.00 0.00 C ATOM 499 CG TYR B 37 13.580 5.455 24.698 1.00 0.00 C ATOM 500 CD1 TYR B 37 14.072 5.418 25.987 1.00 0.00 C ATOM 501 CD2 TYR B 37 13.050 6.626 24.195 1.00 0.00 C ATOM 502 CE1 TYR B 37 14.032 6.601 26.807 1.00 0.00 C ATOM 503 CE2 TYR B 37 13.011 7.809 25.015 1.00 0.00 C ATOM 504 CZ TYR B 37 13.504 7.738 26.281 1.00 0.00 C ATOM 505 OH TYR B 37 13.466 8.855 27.055 1.00 0.00 O ATOM 0 H TYR B 37 14.765 1.996 22.405 1.00 0.00 H new ATOM 0 HA TYR B 37 15.468 4.825 22.822 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.884 4.295 23.030 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.330 3.339 24.430 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.487 4.502 26.381 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.665 6.655 23.187 1.00 0.00 H new ATOM 0 HE1 TYR B 37 14.413 6.585 27.817 1.00 0.00 H new ATOM 0 HE2 TYR B 37 12.600 8.732 24.634 1.00 0.00 H new ATOM 0 HH TYR B 37 13.063 9.591 26.548 1.00 0.00 H new ATOM 515 N VAL B 38 17.203 3.349 23.968 1.00 0.00 N ATOM 516 CA VAL B 38 18.194 2.813 24.885 1.00 0.00 C ATOM 517 C VAL B 38 18.819 3.960 25.682 1.00 0.00 C ATOM 518 O VAL B 38 19.078 5.032 25.135 1.00 0.00 O ATOM 519 CB VAL B 38 19.227 1.988 24.116 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.338 1.494 25.046 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.562 0.819 23.387 1.00 0.00 C ATOM 0 H VAL B 38 17.586 3.736 23.105 1.00 0.00 H new ATOM 0 HA VAL B 38 17.725 2.137 25.600 1.00 0.00 H new ATOM 0 HB VAL B 38 19.682 2.636 23.366 1.00 0.00 H new ATOM 0 HG11 VAL B 38 21.059 0.910 24.474 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.841 2.349 25.498 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.907 0.871 25.829 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.319 0.249 22.848 1.00 0.00 H new ATOM 0 HG22 VAL B 38 18.068 0.172 24.112 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.825 1.202 22.681 1.00 0.00 H new ATOM 531 N ARG B 39 19.043 3.697 26.961 1.00 0.00 N ATOM 532 CA ARG B 39 19.632 4.694 27.838 1.00 0.00 C ATOM 533 C ARG B 39 20.591 4.030 28.828 1.00 0.00 C ATOM 534 O ARG B 39 20.273 2.990 29.404 1.00 0.00 O ATOM 535 CB ARG B 39 18.553 5.451 28.615 1.00 0.00 C ATOM 536 CG ARG B 39 19.111 6.746 29.209 1.00 0.00 C ATOM 537 CD ARG B 39 18.085 7.416 30.125 1.00 0.00 C ATOM 538 NE ARG B 39 18.626 7.521 31.499 1.00 0.00 N ATOM 539 CZ ARG B 39 18.241 8.455 32.395 1.00 0.00 C ATOM 540 NH1 ARG B 39 17.308 9.374 32.067 1.00 0.00 N ATOM 541 NH2 ARG B 39 18.790 8.456 33.595 1.00 0.00 N ATOM 0 H ARG B 39 18.827 2.807 27.411 1.00 0.00 H new ATOM 0 HA ARG B 39 20.179 5.401 27.215 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.717 5.681 27.954 1.00 0.00 H new ATOM 0 HB3 ARG B 39 18.164 4.819 29.413 1.00 0.00 H new ATOM 0 HG2 ARG B 39 20.020 6.530 29.771 1.00 0.00 H new ATOM 0 HG3 ARG B 39 19.388 7.429 28.406 1.00 0.00 H new ATOM 0 HD2 ARG B 39 17.839 8.408 29.745 1.00 0.00 H new ATOM 0 HD3 ARG B 39 17.160 6.839 30.132 1.00 0.00 H new ATOM 0 HE ARG B 39 19.334 6.845 31.787 1.00 0.00 H new ATOM 0 HH11 ARG B 39 16.889 9.366 31.137 1.00 0.00 H new ATOM 0 HH12 ARG B 39 17.022 10.076 32.749 1.00 0.00 H new ATOM 0 HH21 ARG B 39 19.494 7.758 33.834 1.00 0.00 H new ATOM 0 HH22 ARG B 39 18.510 9.155 34.283 1.00 0.00 H new ATOM 554 N ILE B 40 21.746 4.657 28.996 1.00 0.00 N ATOM 555 CA ILE B 40 22.754 4.140 29.906 1.00 0.00 C ATOM 556 C ILE B 40 23.569 5.304 30.472 1.00 0.00 C ATOM 557 O ILE B 40 23.604 6.386 29.886 1.00 0.00 O ATOM 558 CB ILE B 40 23.604 3.073 29.213 1.00 0.00 C ATOM 559 CG1 ILE B 40 22.886 1.722 29.203 1.00 0.00 C ATOM 560 CG2 ILE B 40 24.992 2.979 29.850 1.00 0.00 C ATOM 561 CD1 ILE B 40 23.824 0.599 29.651 1.00 0.00 C ATOM 0 H ILE B 40 22.006 5.519 28.517 1.00 0.00 H new ATOM 0 HA ILE B 40 22.283 3.640 30.752 1.00 0.00 H new ATOM 0 HB ILE B 40 23.746 3.371 28.174 1.00 0.00 H new ATOM 0 HG12 ILE B 40 22.019 1.762 29.863 1.00 0.00 H new ATOM 0 HG13 ILE B 40 22.514 1.511 28.200 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.576 2.213 29.339 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.498 3.940 29.762 1.00 0.00 H new ATOM 0 HG23 ILE B 40 24.892 2.716 30.903 1.00 0.00 H new ATOM 0 HD11 ILE B 40 23.289 -0.350 29.635 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.677 0.546 28.975 1.00 0.00 H new ATOM 0 HD13 ILE B 40 24.175 0.800 30.663 1.00 0.00 H new ATOM 573 N ARG B 41 24.206 5.044 31.604 1.00 0.00 N ATOM 574 CA ARG B 41 25.019 6.056 32.256 1.00 0.00 C ATOM 575 C ARG B 41 24.198 7.325 32.492 1.00 0.00 C ATOM 576 O ARG B 41 23.654 7.524 33.577 1.00 0.00 O ATOM 577 CB ARG B 41 26.248 6.402 31.413 1.00 0.00 C ATOM 578 CG ARG B 41 27.249 5.245 31.403 1.00 0.00 C ATOM 579 CD ARG B 41 28.127 5.269 32.656 1.00 0.00 C ATOM 580 NE ARG B 41 29.000 6.464 32.639 1.00 0.00 N ATOM 581 CZ ARG B 41 30.057 6.640 33.460 1.00 0.00 C ATOM 582 NH1 ARG B 41 30.381 5.698 34.372 1.00 0.00 N ATOM 583 NH2 ARG B 41 30.769 7.747 33.359 1.00 0.00 N ATOM 0 H ARG B 41 24.175 4.146 32.087 1.00 0.00 H new ATOM 0 HA ARG B 41 25.350 5.650 33.212 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.941 6.631 30.392 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.726 7.298 31.810 1.00 0.00 H new ATOM 0 HG2 ARG B 41 26.714 4.297 31.348 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.876 5.310 30.514 1.00 0.00 H new ATOM 0 HD2 ARG B 41 27.501 5.278 33.548 1.00 0.00 H new ATOM 0 HD3 ARG B 41 28.735 4.365 32.702 1.00 0.00 H new ATOM 0 HE ARG B 41 28.790 7.200 31.965 1.00 0.00 H new ATOM 0 HH11 ARG B 41 29.825 4.846 34.444 1.00 0.00 H new ATOM 0 HH12 ARG B 41 31.181 5.839 34.988 1.00 0.00 H new ATOM 0 HH21 ARG B 41 30.517 8.454 32.668 1.00 0.00 H new ATOM 0 HH22 ARG B 41 31.571 7.895 33.972 1.00 0.00 H new ATOM 596 N GLY B 42 24.134 8.151 31.458 1.00 0.00 N ATOM 597 CA GLY B 42 23.388 9.396 31.539 1.00 0.00 C ATOM 598 C GLY B 42 23.117 9.965 30.145 1.00 0.00 C ATOM 599 O GLY B 42 22.970 11.175 29.983 1.00 0.00 O ATOM 0 H GLY B 42 24.586 7.983 30.559 1.00 0.00 H new ATOM 0 HA2 GLY B 42 22.444 9.225 32.056 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.948 10.122 32.129 1.00 0.00 H new ATOM 603 N VAL B 43 23.061 9.066 29.174 1.00 0.00 N ATOM 604 CA VAL B 43 22.811 9.463 27.799 1.00 0.00 C ATOM 605 C VAL B 43 21.726 8.565 27.202 1.00 0.00 C ATOM 606 O VAL B 43 21.852 7.342 27.213 1.00 0.00 O ATOM 607 CB VAL B 43 24.116 9.435 27.001 1.00 0.00 C ATOM 608 CG1 VAL B 43 24.101 10.486 25.889 1.00 0.00 C ATOM 609 CG2 VAL B 43 25.325 9.625 27.919 1.00 0.00 C ATOM 0 H VAL B 43 23.185 8.063 29.312 1.00 0.00 H new ATOM 0 HA VAL B 43 22.443 10.488 27.759 1.00 0.00 H new ATOM 0 HB VAL B 43 24.202 8.454 26.534 1.00 0.00 H new ATOM 0 HG11 VAL B 43 25.040 10.445 25.337 1.00 0.00 H new ATOM 0 HG12 VAL B 43 23.272 10.286 25.210 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.980 11.477 26.327 1.00 0.00 H new ATOM 0 HG21 VAL B 43 26.239 9.601 27.326 1.00 0.00 H new ATOM 0 HG22 VAL B 43 25.248 10.586 28.428 1.00 0.00 H new ATOM 0 HG23 VAL B 43 25.350 8.824 28.658 1.00 0.00 H new ATOM 619 N LEU B 44 20.683 9.207 26.696 1.00 0.00 N ATOM 620 CA LEU B 44 19.576 8.482 26.096 1.00 0.00 C ATOM 621 C LEU B 44 19.719 8.511 24.573 1.00 0.00 C ATOM 622 O LEU B 44 19.667 9.577 23.961 1.00 0.00 O ATOM 623 CB LEU B 44 18.240 9.032 26.599 1.00 0.00 C ATOM 624 CG LEU B 44 17.064 8.931 25.625 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.765 7.472 25.276 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.833 9.653 26.176 1.00 0.00 C ATOM 0 H LEU B 44 20.581 10.222 26.689 1.00 0.00 H new ATOM 0 HA LEU B 44 19.597 7.435 26.399 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.974 8.504 27.515 1.00 0.00 H new ATOM 0 HB3 LEU B 44 18.378 10.080 26.864 1.00 0.00 H new ATOM 0 HG LEU B 44 17.343 9.432 24.698 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.925 7.429 24.583 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.642 7.022 24.812 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.514 6.925 26.185 1.00 0.00 H new ATOM 0 HD21 LEU B 44 15.012 9.566 25.465 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.541 9.202 27.124 1.00 0.00 H new ATOM 0 HD23 LEU B 44 16.068 10.706 26.332 1.00 0.00 H new ATOM 638 N VAL B 45 19.897 7.327 24.005 1.00 0.00 N ATOM 639 CA VAL B 45 20.048 7.204 22.565 1.00 0.00 C ATOM 640 C VAL B 45 18.714 6.774 21.952 1.00 0.00 C ATOM 641 O VAL B 45 18.343 5.603 22.023 1.00 0.00 O ATOM 642 CB VAL B 45 21.193 6.243 22.239 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.703 6.460 20.813 1.00 0.00 C ATOM 644 CG2 VAL B 45 22.330 6.380 23.254 1.00 0.00 C ATOM 0 H VAL B 45 19.940 6.445 24.516 1.00 0.00 H new ATOM 0 HA VAL B 45 20.313 8.165 22.125 1.00 0.00 H new ATOM 0 HB VAL B 45 20.805 5.226 22.305 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.516 5.764 20.608 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.891 6.288 20.106 1.00 0.00 H new ATOM 0 HG13 VAL B 45 22.065 7.483 20.708 1.00 0.00 H new ATOM 0 HG21 VAL B 45 23.131 5.686 22.999 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.714 7.400 23.235 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.956 6.152 24.252 1.00 0.00 H new ATOM 654 N ARG B 46 18.030 7.744 21.362 1.00 0.00 N ATOM 655 CA ARG B 46 16.745 7.480 20.737 1.00 0.00 C ATOM 656 C ARG B 46 16.888 7.474 19.214 1.00 0.00 C ATOM 657 O ARG B 46 17.712 8.200 18.661 1.00 0.00 O ATOM 658 CB ARG B 46 15.710 8.531 21.142 1.00 0.00 C ATOM 659 CG ARG B 46 15.909 8.967 22.595 1.00 0.00 C ATOM 660 CD ARG B 46 15.033 10.175 22.930 1.00 0.00 C ATOM 661 NE ARG B 46 15.119 11.179 21.846 1.00 0.00 N ATOM 662 CZ ARG B 46 14.152 12.080 21.571 1.00 0.00 C ATOM 663 NH1 ARG B 46 13.016 12.111 22.299 1.00 0.00 N ATOM 664 NH2 ARG B 46 14.335 12.931 20.578 1.00 0.00 N ATOM 0 H ARG B 46 18.342 8.713 21.304 1.00 0.00 H new ATOM 0 HA ARG B 46 16.404 6.502 21.077 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.790 9.397 20.485 1.00 0.00 H new ATOM 0 HB3 ARG B 46 14.706 8.126 21.015 1.00 0.00 H new ATOM 0 HG2 ARG B 46 15.666 8.141 23.263 1.00 0.00 H new ATOM 0 HG3 ARG B 46 16.957 9.215 22.764 1.00 0.00 H new ATOM 0 HD2 ARG B 46 13.998 9.859 23.063 1.00 0.00 H new ATOM 0 HD3 ARG B 46 15.354 10.617 23.873 1.00 0.00 H new ATOM 0 HE ARG B 46 15.961 11.191 21.271 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.883 11.450 23.064 1.00 0.00 H new ATOM 0 HH12 ARG B 46 12.291 12.795 22.084 1.00 0.00 H new ATOM 0 HH21 ARG B 46 15.196 12.901 20.033 1.00 0.00 H new ATOM 0 HH22 ARG B 46 13.615 13.618 20.356 1.00 0.00 H new ATOM 677 N TYR B 47 16.072 6.645 18.578 1.00 0.00 N ATOM 678 CA TYR B 47 16.096 6.535 17.130 1.00 0.00 C ATOM 679 C TYR B 47 14.680 6.416 16.565 1.00 0.00 C ATOM 680 O TYR B 47 13.857 5.670 17.094 1.00 0.00 O ATOM 681 CB TYR B 47 16.867 5.250 16.818 1.00 0.00 C ATOM 682 CG TYR B 47 17.300 5.124 15.356 1.00 0.00 C ATOM 683 CD1 TYR B 47 16.351 5.114 14.354 1.00 0.00 C ATOM 684 CD2 TYR B 47 18.639 5.019 15.039 1.00 0.00 C ATOM 685 CE1 TYR B 47 16.758 4.995 12.977 1.00 0.00 C ATOM 686 CE2 TYR B 47 19.046 4.901 13.663 1.00 0.00 C ATOM 687 CZ TYR B 47 18.086 4.894 12.700 1.00 0.00 C ATOM 688 OH TYR B 47 18.471 4.782 11.401 1.00 0.00 O ATOM 0 H TYR B 47 15.390 6.043 19.040 1.00 0.00 H new ATOM 0 HA TYR B 47 16.556 7.418 16.686 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.752 5.206 17.453 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.245 4.393 17.077 1.00 0.00 H new ATOM 0 HD1 TYR B 47 15.303 5.195 14.602 1.00 0.00 H new ATOM 0 HD2 TYR B 47 19.382 5.025 15.823 1.00 0.00 H new ATOM 0 HE1 TYR B 47 16.026 4.986 12.183 1.00 0.00 H new ATOM 0 HE2 TYR B 47 20.091 4.820 13.401 1.00 0.00 H new ATOM 0 HH TYR B 47 19.448 4.720 11.354 1.00 0.00 H new ATOM 698 N ARG B 48 14.438 7.162 15.498 1.00 0.00 N ATOM 699 CA ARG B 48 13.135 7.150 14.855 1.00 0.00 C ATOM 700 C ARG B 48 13.276 7.456 13.363 1.00 0.00 C ATOM 701 O ARG B 48 13.814 8.497 12.987 1.00 0.00 O ATOM 702 CB ARG B 48 12.196 8.176 15.493 1.00 0.00 C ATOM 703 CG ARG B 48 12.960 9.437 15.903 1.00 0.00 C ATOM 704 CD ARG B 48 12.235 10.697 15.424 1.00 0.00 C ATOM 705 NE ARG B 48 10.771 10.516 15.547 1.00 0.00 N ATOM 706 CZ ARG B 48 9.860 11.204 14.826 1.00 0.00 C ATOM 707 NH1 ARG B 48 10.256 12.127 13.924 1.00 0.00 N ATOM 708 NH2 ARG B 48 8.577 10.962 15.017 1.00 0.00 N ATOM 0 H ARG B 48 15.123 7.780 15.062 1.00 0.00 H new ATOM 0 HA ARG B 48 12.710 6.155 14.986 1.00 0.00 H new ATOM 0 HB2 ARG B 48 11.406 8.438 14.790 1.00 0.00 H new ATOM 0 HB3 ARG B 48 11.713 7.739 16.367 1.00 0.00 H new ATOM 0 HG2 ARG B 48 13.068 9.465 16.987 1.00 0.00 H new ATOM 0 HG3 ARG B 48 13.966 9.410 15.483 1.00 0.00 H new ATOM 0 HD2 ARG B 48 12.554 11.557 16.013 1.00 0.00 H new ATOM 0 HD3 ARG B 48 12.498 10.906 14.387 1.00 0.00 H new ATOM 0 HE ARG B 48 10.429 9.829 16.218 1.00 0.00 H new ATOM 0 HH11 ARG B 48 11.250 12.309 13.783 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.561 12.642 13.383 1.00 0.00 H new ATOM 0 HH21 ARG B 48 8.286 10.264 15.701 1.00 0.00 H new ATOM 0 HH22 ARG B 48 7.876 11.473 14.480 1.00 0.00 H new ATOM 721 N ARG B 49 12.783 6.531 12.552 1.00 0.00 N ATOM 722 CA ARG B 49 12.848 6.690 11.109 1.00 0.00 C ATOM 723 C ARG B 49 12.169 5.507 10.415 1.00 0.00 C ATOM 724 O ARG B 49 12.159 4.396 10.941 1.00 0.00 O ATOM 725 CB ARG B 49 14.297 6.790 10.630 1.00 0.00 C ATOM 726 CG ARG B 49 14.364 7.287 9.185 1.00 0.00 C ATOM 727 CD ARG B 49 14.059 6.156 8.201 1.00 0.00 C ATOM 728 NE ARG B 49 15.196 5.973 7.271 1.00 0.00 N ATOM 729 CZ ARG B 49 15.390 6.711 6.157 1.00 0.00 C ATOM 730 NH1 ARG B 49 14.521 7.689 5.824 1.00 0.00 N ATOM 731 NH2 ARG B 49 16.441 6.461 5.399 1.00 0.00 N ATOM 0 H ARG B 49 12.337 5.669 12.867 1.00 0.00 H new ATOM 0 HA ARG B 49 12.329 7.614 10.853 1.00 0.00 H new ATOM 0 HB2 ARG B 49 14.852 7.469 11.278 1.00 0.00 H new ATOM 0 HB3 ARG B 49 14.777 5.814 10.705 1.00 0.00 H new ATOM 0 HG2 ARG B 49 13.651 8.099 9.043 1.00 0.00 H new ATOM 0 HG3 ARG B 49 15.355 7.693 8.982 1.00 0.00 H new ATOM 0 HD2 ARG B 49 13.871 5.230 8.745 1.00 0.00 H new ATOM 0 HD3 ARG B 49 13.153 6.385 7.640 1.00 0.00 H new ATOM 0 HE ARG B 49 15.876 5.243 7.485 1.00 0.00 H new ATOM 0 HH11 ARG B 49 13.711 7.875 6.416 1.00 0.00 H new ATOM 0 HH12 ARG B 49 14.674 8.242 4.981 1.00 0.00 H new ATOM 0 HH21 ARG B 49 17.092 5.720 5.658 1.00 0.00 H new ATOM 0 HH22 ARG B 49 16.602 7.009 4.554 1.00 0.00 H new ATOM 744 N CYS B 50 11.617 5.788 9.243 1.00 0.00 N ATOM 745 CA CYS B 50 10.938 4.761 8.471 1.00 0.00 C ATOM 746 C CYS B 50 11.305 4.947 6.997 1.00 0.00 C ATOM 747 O CYS B 50 11.317 6.069 6.493 1.00 0.00 O ATOM 748 CB CYS B 50 9.424 4.797 8.691 1.00 0.00 C ATOM 749 SG CYS B 50 8.902 4.731 10.444 1.00 0.00 S ATOM 0 H CYS B 50 11.626 6.711 8.810 1.00 0.00 H new ATOM 0 HA CYS B 50 11.264 3.776 8.804 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.027 5.708 8.242 1.00 0.00 H new ATOM 0 HB3 CYS B 50 8.974 3.958 8.160 1.00 0.00 H new ATOM 754 N TRP B 51 11.594 3.829 6.347 1.00 0.00 N ATOM 755 CA TRP B 51 11.960 3.855 4.941 1.00 0.00 C ATOM 756 C TRP B 51 10.680 3.704 4.116 1.00 0.00 C ATOM 757 O TRP B 51 9.715 3.089 4.568 1.00 0.00 O ATOM 758 CB TRP B 51 13.003 2.781 4.626 1.00 0.00 C ATOM 759 CG TRP B 51 14.450 3.254 4.781 1.00 0.00 C ATOM 760 CD1 TRP B 51 15.254 3.770 3.841 1.00 0.00 C ATOM 761 CD2 TRP B 51 15.236 3.234 5.990 1.00 0.00 C ATOM 762 NE1 TRP B 51 16.496 4.082 4.354 1.00 0.00 N ATOM 763 CE2 TRP B 51 16.485 3.746 5.703 1.00 0.00 C ATOM 764 CE3 TRP B 51 14.904 2.798 7.285 1.00 0.00 C ATOM 765 CZ2 TRP B 51 17.501 3.870 6.658 1.00 0.00 C ATOM 766 CZ3 TRP B 51 15.930 2.928 8.228 1.00 0.00 C ATOM 767 CH2 TRP B 51 17.192 3.442 7.955 1.00 0.00 C ATOM 0 H TRP B 51 11.582 2.900 6.768 1.00 0.00 H new ATOM 0 HA TRP B 51 12.431 4.804 4.683 1.00 0.00 H new ATOM 0 HB2 TRP B 51 12.839 1.926 5.282 1.00 0.00 H new ATOM 0 HB3 TRP B 51 12.853 2.432 3.604 1.00 0.00 H new ATOM 0 HD1 TRP B 51 14.966 3.922 2.811 1.00 0.00 H new ATOM 0 HE1 TRP B 51 17.278 4.485 3.838 1.00 0.00 H new ATOM 0 HE3 TRP B 51 13.933 2.394 7.533 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 18.471 4.274 6.408 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 15.727 2.606 9.239 1.00 0.00 H new ATOM 0 HH2 TRP B 51 17.931 3.511 8.740 1.00 0.00 H new