USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 75 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 8 ASN :FLIP amide:sc= -0.0342 F(o=-0.74,f=-0.034) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 16 ASN : amide:sc= -0.908 K(o=-0.91,f=-2.1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.6) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 7 -0.989 10.991 1.118 1.00 0.00 N ATOM 65 CA ALA A 7 -0.463 9.887 1.950 1.00 0.00 C ATOM 66 C ALA A 7 1.030 9.812 2.255 1.00 0.00 C ATOM 67 O ALA A 7 1.890 9.795 1.381 1.00 0.00 O ATOM 68 CB ALA A 7 -1.300 8.607 1.926 1.00 0.00 C ATOM 0 HA ALA A 7 -0.664 10.258 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.835 7.856 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.304 8.822 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.358 8.229 0.905 1.00 0.00 H new ATOM 70 N ASN A 8 1.294 10.286 3.472 1.00 0.00 N ATOM 71 CA ASN A 8 2.590 10.159 4.145 1.00 0.00 C ATOM 72 C ASN A 8 3.046 8.700 4.258 1.00 0.00 C ATOM 73 O ASN A 8 4.132 8.357 3.808 1.00 0.00 O ATOM 74 CB ASN A 8 2.418 10.781 5.527 1.00 0.00 C ATOM 75 CG ASN A 8 2.135 12.275 5.460 1.00 0.00 C ATOM 76 OD1 ASN A 8 0.881 12.669 5.369 1.00 0.00 O flip ATOM 77 ND2 ASN A 8 2.986 13.098 5.794 1.00 0.00 N flip ATOM 0 H ASN A 8 0.599 10.780 4.031 1.00 0.00 H new ATOM 0 HA ASN A 8 3.364 10.665 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.601 10.282 6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.321 10.611 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.964 12.818 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.714 14.061 5.993 1.00 0.00 H new ATOM 81 N ALA A 9 2.119 7.833 4.670 1.00 0.00 N ATOM 82 CA ALA A 9 2.310 6.368 4.623 1.00 0.00 C ATOM 83 C ALA A 9 2.715 5.824 3.250 1.00 0.00 C ATOM 84 O ALA A 9 3.756 5.196 3.123 1.00 0.00 O ATOM 85 CB ALA A 9 1.049 5.674 5.135 1.00 0.00 C ATOM 0 H ALA A 9 1.215 8.118 5.046 1.00 0.00 H new ATOM 0 HA ALA A 9 3.156 6.145 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.189 4.594 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.856 5.982 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.201 5.950 4.508 1.00 0.00 H new ATOM 87 N PHE A 10 2.103 6.448 2.248 1.00 0.00 N ATOM 88 CA PHE A 10 2.372 6.246 0.804 1.00 0.00 C ATOM 89 C PHE A 10 3.859 6.419 0.465 1.00 0.00 C ATOM 90 O PHE A 10 4.557 5.457 0.136 1.00 0.00 O ATOM 91 CB PHE A 10 1.532 7.265 0.028 1.00 0.00 C ATOM 92 CG PHE A 10 1.374 6.894 -1.457 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.770 5.675 -1.831 1.00 0.00 C ATOM 94 CD2 PHE A 10 2.014 7.713 -2.428 1.00 0.00 C ATOM 95 CE1 PHE A 10 0.816 5.240 -3.172 1.00 0.00 C ATOM 96 CE2 PHE A 10 2.049 7.291 -3.772 1.00 0.00 C ATOM 97 CZ PHE A 10 1.456 6.055 -4.126 1.00 0.00 C ATOM 0 H PHE A 10 1.373 7.140 2.414 1.00 0.00 H new ATOM 0 HA PHE A 10 2.105 5.226 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.546 7.342 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.997 8.248 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.270 5.072 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.469 8.649 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.369 4.300 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.523 7.904 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.495 5.728 -5.155 1.00 0.00 H new ATOM 99 N ARG A 11 4.339 7.555 0.935 1.00 0.00 N ATOM 100 CA ARG A 11 5.722 8.018 0.802 1.00 0.00 C ATOM 101 C ARG A 11 6.763 7.194 1.561 1.00 0.00 C ATOM 102 O ARG A 11 7.714 6.695 0.954 1.00 0.00 O ATOM 103 CB ARG A 11 5.817 9.487 1.284 1.00 0.00 C ATOM 104 CG ARG A 11 4.926 10.500 0.551 1.00 0.00 C ATOM 105 CD ARG A 11 5.349 10.766 -0.897 1.00 0.00 C ATOM 106 NE ARG A 11 4.564 11.906 -1.414 1.00 0.00 N ATOM 107 CZ ARG A 11 4.981 13.169 -1.517 1.00 0.00 C ATOM 108 NH1 ARG A 11 6.207 13.539 -1.180 1.00 0.00 N ATOM 109 NH2 ARG A 11 4.144 14.117 -1.918 1.00 0.00 N ATOM 0 H ARG A 11 3.754 8.217 1.445 1.00 0.00 H new ATOM 0 HA ARG A 11 5.960 7.908 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.568 9.516 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.853 9.812 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.898 10.137 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.935 11.441 1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.415 10.988 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.179 9.881 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 11 3.612 11.708 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.869 12.848 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.489 14.515 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.179 13.881 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.466 15.082 -1.996 1.00 0.00 H new ATOM 116 N ILE A 12 6.378 6.857 2.773 1.00 0.00 N ATOM 117 CA ILE A 12 7.174 6.031 3.699 1.00 0.00 C ATOM 118 C ILE A 12 7.464 4.627 3.125 1.00 0.00 C ATOM 119 O ILE A 12 8.566 4.098 3.176 1.00 0.00 O ATOM 120 CB ILE A 12 6.585 5.968 5.106 1.00 0.00 C ATOM 121 CG1 ILE A 12 6.502 7.372 5.748 1.00 0.00 C ATOM 122 CG2 ILE A 12 7.359 5.039 6.068 1.00 0.00 C ATOM 123 CD1 ILE A 12 5.465 7.490 6.868 1.00 0.00 C ATOM 0 H ILE A 12 5.483 7.149 3.166 1.00 0.00 H new ATOM 0 HA ILE A 12 8.133 6.538 3.801 1.00 0.00 H new ATOM 0 HB ILE A 12 5.588 5.551 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.482 7.636 6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.267 8.101 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.879 5.048 7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.358 4.023 5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.387 5.390 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.471 8.506 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.475 7.260 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.709 6.788 7.665 1.00 0.00 H new ATOM 125 N PHE A 13 6.402 4.102 2.545 1.00 0.00 N ATOM 126 CA PHE A 13 6.279 2.766 1.939 1.00 0.00 C ATOM 127 C PHE A 13 6.883 2.622 0.533 1.00 0.00 C ATOM 128 O PHE A 13 7.216 1.508 0.105 1.00 0.00 O ATOM 129 CB PHE A 13 4.781 2.502 1.882 1.00 0.00 C ATOM 130 CG PHE A 13 4.067 2.143 3.191 1.00 0.00 C ATOM 131 CD1 PHE A 13 4.652 2.336 4.472 1.00 0.00 C ATOM 132 CD2 PHE A 13 2.672 1.900 3.087 1.00 0.00 C ATOM 133 CE1 PHE A 13 3.855 2.318 5.630 1.00 0.00 C ATOM 134 CE2 PHE A 13 1.868 1.868 4.237 1.00 0.00 C ATOM 135 CZ PHE A 13 2.463 2.086 5.504 1.00 0.00 C ATOM 0 H PHE A 13 5.531 4.628 2.473 1.00 0.00 H new ATOM 0 HA PHE A 13 6.844 2.054 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.300 3.390 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.611 1.691 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.716 2.498 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.227 1.739 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.298 2.479 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.808 1.679 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.845 2.075 6.389 1.00 0.00 H new ATOM 137 N ASP A 14 6.826 3.707 -0.227 1.00 0.00 N ATOM 138 CA ASP A 14 7.351 3.852 -1.611 1.00 0.00 C ATOM 139 C ASP A 14 8.891 3.841 -1.684 1.00 0.00 C ATOM 140 O ASP A 14 9.509 4.539 -2.475 1.00 0.00 O ATOM 141 CB ASP A 14 6.740 5.137 -2.210 1.00 0.00 C ATOM 142 CG ASP A 14 7.132 5.422 -3.665 1.00 0.00 C ATOM 143 OD1 ASP A 14 7.244 4.468 -4.468 1.00 0.00 O ATOM 144 OD2 ASP A 14 7.298 6.619 -3.987 1.00 0.00 O ATOM 0 H ASP A 14 6.391 4.567 0.108 1.00 0.00 H new ATOM 0 HA ASP A 14 7.053 2.985 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.654 5.068 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.041 5.985 -1.595 1.00 0.00 H new ATOM 146 N LYS A 15 9.416 2.788 -1.066 1.00 0.00 N ATOM 147 CA LYS A 15 10.850 2.469 -0.940 1.00 0.00 C ATOM 148 C LYS A 15 11.587 2.542 -2.298 1.00 0.00 C ATOM 149 O LYS A 15 12.581 3.253 -2.428 1.00 0.00 O ATOM 150 CB LYS A 15 11.058 1.085 -0.348 1.00 0.00 C ATOM 151 CG LYS A 15 10.498 0.958 1.070 1.00 0.00 C ATOM 152 CD LYS A 15 10.116 -0.502 1.250 1.00 0.00 C ATOM 153 CE LYS A 15 9.643 -0.863 2.666 1.00 0.00 C ATOM 154 NZ LYS A 15 10.778 -0.830 3.595 1.00 0.00 N ATOM 0 H LYS A 15 8.827 2.090 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 15 11.268 3.222 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.581 0.344 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.124 0.856 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.240 1.259 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.632 1.606 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.325 -0.748 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.975 -1.124 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.875 -0.162 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.191 -1.855 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.469 -1.157 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.533 -1.453 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.138 0.143 3.669 1.00 0.00 H new ATOM 159 N ASN A 16 11.056 1.833 -3.310 1.00 0.00 N ATOM 160 CA ASN A 16 11.634 1.799 -4.662 1.00 0.00 C ATOM 161 C ASN A 16 11.224 2.941 -5.632 1.00 0.00 C ATOM 162 O ASN A 16 11.172 2.739 -6.847 1.00 0.00 O ATOM 163 CB ASN A 16 11.380 0.398 -5.232 1.00 0.00 C ATOM 164 CG ASN A 16 9.903 0.020 -5.374 1.00 0.00 C ATOM 165 OD1 ASN A 16 9.274 -0.510 -4.477 1.00 0.00 O ATOM 166 ND2 ASN A 16 9.330 0.290 -6.519 1.00 0.00 N ATOM 0 H ASN A 16 10.213 1.267 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 16 12.701 2.000 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.854 0.328 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.868 -0.334 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.348 0.056 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.865 0.734 -7.265 1.00 0.00 H new ATOM 170 N ALA A 17 10.747 4.041 -5.061 1.00 0.00 N ATOM 171 CA ALA A 17 10.606 5.377 -5.699 1.00 0.00 C ATOM 172 C ALA A 17 9.849 5.454 -7.033 1.00 0.00 C ATOM 173 O ALA A 17 9.986 6.400 -7.811 1.00 0.00 O ATOM 174 CB ALA A 17 11.990 6.034 -5.782 1.00 0.00 C ATOM 0 H ALA A 17 10.428 4.042 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 17 9.937 5.935 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 17 11.900 7.015 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.400 6.146 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.654 5.409 -6.378 1.00 0.00 H new ATOM 176 N ASP A 18 8.833 4.600 -7.137 1.00 0.00 N ATOM 177 CA ASP A 18 7.954 4.527 -8.322 1.00 0.00 C ATOM 178 C ASP A 18 6.634 5.327 -8.214 1.00 0.00 C ATOM 179 O ASP A 18 5.844 5.332 -9.155 1.00 0.00 O ATOM 180 CB ASP A 18 7.658 3.063 -8.685 1.00 0.00 C ATOM 181 CG ASP A 18 6.912 2.212 -7.645 1.00 0.00 C ATOM 182 OD1 ASP A 18 6.765 2.701 -6.515 1.00 0.00 O ATOM 183 OD2 ASP A 18 6.576 1.058 -7.989 1.00 0.00 O ATOM 0 H ASP A 18 8.588 3.934 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 18 8.519 5.011 -9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.075 3.056 -9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.606 2.572 -8.904 1.00 0.00 H new ATOM 185 N GLY A 19 6.412 5.936 -7.043 1.00 0.00 N ATOM 186 CA GLY A 19 5.118 6.540 -6.663 1.00 0.00 C ATOM 187 C GLY A 19 3.999 5.491 -6.556 1.00 0.00 C ATOM 188 O GLY A 19 2.846 5.774 -6.851 1.00 0.00 O ATOM 0 H GLY A 19 7.128 6.027 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.225 7.054 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.839 7.293 -7.400 1.00 0.00 H new ATOM 190 N TYR A 20 4.395 4.280 -6.159 1.00 0.00 N ATOM 191 CA TYR A 20 3.497 3.129 -5.966 1.00 0.00 C ATOM 192 C TYR A 20 4.000 2.242 -4.815 1.00 0.00 C ATOM 193 O TYR A 20 5.092 2.437 -4.274 1.00 0.00 O ATOM 194 CB TYR A 20 3.476 2.226 -7.200 1.00 0.00 C ATOM 195 CG TYR A 20 3.133 2.897 -8.533 1.00 0.00 C ATOM 196 CD1 TYR A 20 1.816 3.384 -8.711 1.00 0.00 C ATOM 197 CD2 TYR A 20 4.031 2.807 -9.625 1.00 0.00 C ATOM 198 CE1 TYR A 20 1.386 3.773 -9.983 1.00 0.00 C ATOM 199 CE2 TYR A 20 3.605 3.205 -10.901 1.00 0.00 C ATOM 200 CZ TYR A 20 2.279 3.667 -11.066 1.00 0.00 C ATOM 201 OH TYR A 20 1.822 3.915 -12.331 1.00 0.00 O ATOM 0 H TYR A 20 5.371 4.063 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 20 2.509 3.542 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.455 1.757 -7.296 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.756 1.427 -7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.146 3.455 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.034 2.435 -9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.385 4.149 -10.132 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.279 3.159 -11.744 1.00 0.00 H new ATOM 0 HH TYR A 20 2.555 3.802 -12.972 1.00 0.00 H new ATOM 204 N ILE A 21 3.134 1.310 -4.440 1.00 0.00 N ATOM 205 CA ILE A 21 3.449 0.194 -3.526 1.00 0.00 C ATOM 206 C ILE A 21 3.200 -1.134 -4.266 1.00 0.00 C ATOM 207 O ILE A 21 2.183 -1.319 -4.938 1.00 0.00 O ATOM 208 CB ILE A 21 2.755 0.335 -2.164 1.00 0.00 C ATOM 209 CG1 ILE A 21 3.444 1.366 -1.268 1.00 0.00 C ATOM 210 CG2 ILE A 21 2.665 -0.975 -1.343 1.00 0.00 C ATOM 211 CD1 ILE A 21 3.149 2.825 -1.604 1.00 0.00 C ATOM 0 H ILE A 21 2.167 1.299 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 21 4.505 0.212 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 21 1.748 0.650 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.147 1.181 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.521 1.209 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.160 -0.778 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.103 -1.720 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.669 -1.351 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.685 3.474 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.473 3.036 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.078 3.009 -1.518 1.00 0.00 H new ATOM 213 N ASP A 22 4.226 -1.974 -4.224 1.00 0.00 N ATOM 214 CA ASP A 22 4.229 -3.325 -4.819 1.00 0.00 C ATOM 215 C ASP A 22 4.206 -4.462 -3.814 1.00 0.00 C ATOM 216 O ASP A 22 4.442 -4.277 -2.620 1.00 0.00 O ATOM 217 CB ASP A 22 5.348 -3.492 -5.845 1.00 0.00 C ATOM 218 CG ASP A 22 6.537 -2.510 -5.767 1.00 0.00 C ATOM 219 OD1 ASP A 22 7.081 -2.373 -4.658 1.00 0.00 O ATOM 220 OD2 ASP A 22 6.862 -1.912 -6.822 1.00 0.00 O ATOM 0 H ASP A 22 5.106 -1.739 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 22 3.276 -3.400 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.741 -4.504 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.908 -3.410 -6.839 1.00 0.00 H new ATOM 222 N ILE A 23 4.060 -5.668 -4.350 1.00 0.00 N ATOM 223 CA ILE A 23 3.823 -6.896 -3.562 1.00 0.00 C ATOM 224 C ILE A 23 4.822 -7.180 -2.406 1.00 0.00 C ATOM 225 O ILE A 23 4.411 -7.391 -1.266 1.00 0.00 O ATOM 226 CB ILE A 23 3.537 -8.096 -4.485 1.00 0.00 C ATOM 227 CG1 ILE A 23 2.882 -9.238 -3.702 1.00 0.00 C ATOM 228 CG2 ILE A 23 4.794 -8.560 -5.243 1.00 0.00 C ATOM 229 CD1 ILE A 23 2.054 -10.183 -4.572 1.00 0.00 C ATOM 0 H ILE A 23 4.102 -5.835 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 23 2.915 -6.703 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 23 2.830 -7.766 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.658 -9.811 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.241 -8.815 -2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.542 -9.408 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.170 -7.743 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.561 -8.859 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.621 -10.966 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.255 -9.623 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.694 -10.635 -5.330 1.00 0.00 H new ATOM 231 N GLU A 24 6.120 -6.999 -2.678 1.00 0.00 N ATOM 232 CA GLU A 24 7.184 -7.142 -1.659 1.00 0.00 C ATOM 233 C GLU A 24 7.176 -6.092 -0.545 1.00 0.00 C ATOM 234 O GLU A 24 7.228 -6.406 0.642 1.00 0.00 O ATOM 235 CB GLU A 24 8.594 -7.330 -2.272 1.00 0.00 C ATOM 236 CG GLU A 24 9.287 -6.116 -2.898 1.00 0.00 C ATOM 237 CD GLU A 24 8.609 -5.586 -4.160 1.00 0.00 C ATOM 238 OE1 GLU A 24 7.581 -4.897 -3.999 1.00 0.00 O ATOM 239 OE2 GLU A 24 9.053 -5.954 -5.269 1.00 0.00 O ATOM 0 H GLU A 24 6.468 -6.750 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 24 6.922 -8.073 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.247 -7.717 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.522 -8.102 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.329 -5.316 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.316 -6.383 -3.138 1.00 0.00 H new ATOM 241 N GLU A 25 6.973 -4.864 -0.982 1.00 0.00 N ATOM 242 CA GLU A 25 6.696 -3.682 -0.153 1.00 0.00 C ATOM 243 C GLU A 25 5.460 -3.909 0.730 1.00 0.00 C ATOM 244 O GLU A 25 5.534 -3.688 1.930 1.00 0.00 O ATOM 245 CB GLU A 25 6.466 -2.490 -1.069 1.00 0.00 C ATOM 246 CG GLU A 25 7.767 -1.887 -1.569 1.00 0.00 C ATOM 247 CD GLU A 25 7.571 -0.502 -2.196 1.00 0.00 C ATOM 248 OE1 GLU A 25 6.533 -0.305 -2.879 1.00 0.00 O ATOM 249 OE2 GLU A 25 8.496 0.301 -2.027 1.00 0.00 O ATOM 0 H GLU A 25 6.996 -4.641 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 25 7.547 -3.496 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.861 -2.801 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.897 -1.729 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.470 -1.810 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.214 -2.555 -2.305 1.00 0.00 H new ATOM 251 N LEU A 26 4.404 -4.479 0.159 1.00 0.00 N ATOM 252 CA LEU A 26 3.179 -4.811 0.901 1.00 0.00 C ATOM 253 C LEU A 26 3.427 -5.795 2.056 1.00 0.00 C ATOM 254 O LEU A 26 3.035 -5.510 3.179 1.00 0.00 O ATOM 255 CB LEU A 26 2.069 -5.304 -0.024 1.00 0.00 C ATOM 256 CG LEU A 26 0.730 -5.040 0.664 1.00 0.00 C ATOM 257 CD1 LEU A 26 0.220 -3.639 0.344 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.299 -6.090 0.258 1.00 0.00 C ATOM 0 H LEU A 26 4.367 -4.726 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 26 2.841 -3.880 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.114 -4.787 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.189 -6.368 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 26 0.885 -5.107 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.734 -3.476 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.943 -2.901 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.086 -3.538 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.245 -5.885 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.445 -6.058 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.057 -7.079 0.547 1.00 0.00 H new ATOM 260 N GLY A 27 4.212 -6.842 1.780 1.00 0.00 N ATOM 261 CA GLY A 27 4.718 -7.768 2.818 1.00 0.00 C ATOM 262 C GLY A 27 5.416 -7.023 3.959 1.00 0.00 C ATOM 263 O GLY A 27 4.909 -6.962 5.078 1.00 0.00 O ATOM 0 H GLY A 27 4.518 -7.077 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.889 -8.351 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.415 -8.474 2.366 1.00 0.00 H new ATOM 265 N GLU A 28 6.412 -6.236 3.555 1.00 0.00 N ATOM 266 CA GLU A 28 7.205 -5.367 4.460 1.00 0.00 C ATOM 267 C GLU A 28 6.383 -4.371 5.297 1.00 0.00 C ATOM 268 O GLU A 28 6.668 -4.191 6.471 1.00 0.00 O ATOM 269 CB GLU A 28 8.294 -4.627 3.681 1.00 0.00 C ATOM 270 CG GLU A 28 9.399 -5.540 3.158 1.00 0.00 C ATOM 271 CD GLU A 28 10.245 -6.148 4.277 1.00 0.00 C ATOM 272 OE1 GLU A 28 11.161 -5.427 4.749 1.00 0.00 O ATOM 273 OE2 GLU A 28 10.025 -7.342 4.589 1.00 0.00 O ATOM 0 H GLU A 28 6.704 -6.174 2.580 1.00 0.00 H new ATOM 0 HA GLU A 28 7.652 -6.051 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.837 -4.106 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.737 -3.867 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.953 -6.342 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.045 -4.973 2.487 1.00 0.00 H new ATOM 275 N ILE A 29 5.373 -3.736 4.693 1.00 0.00 N ATOM 276 CA ILE A 29 4.495 -2.764 5.381 1.00 0.00 C ATOM 277 C ILE A 29 3.530 -3.493 6.351 1.00 0.00 C ATOM 278 O ILE A 29 3.472 -3.140 7.531 1.00 0.00 O ATOM 279 CB ILE A 29 3.857 -1.777 4.394 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.716 -2.305 3.518 1.00 0.00 C ATOM 281 CG2 ILE A 29 4.909 -1.103 3.511 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.342 -2.069 4.131 1.00 0.00 C ATOM 0 H ILE A 29 5.135 -3.877 3.711 1.00 0.00 H new ATOM 0 HA ILE A 29 5.089 -2.117 6.026 1.00 0.00 H new ATOM 0 HB ILE A 29 3.384 -1.056 5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.761 -1.822 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.856 -3.373 3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.420 -0.411 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.613 -0.555 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.445 -1.861 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.574 -2.464 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.282 -2.574 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.185 -1.000 4.272 1.00 0.00 H new ATOM 284 N LEU A 30 2.972 -4.622 5.908 1.00 0.00 N ATOM 285 CA LEU A 30 2.082 -5.468 6.732 1.00 0.00 C ATOM 286 C LEU A 30 2.731 -6.165 7.932 1.00 0.00 C ATOM 287 O LEU A 30 2.097 -6.385 8.956 1.00 0.00 O ATOM 288 CB LEU A 30 1.337 -6.514 5.882 1.00 0.00 C ATOM 289 CG LEU A 30 0.185 -5.891 5.076 1.00 0.00 C ATOM 290 CD1 LEU A 30 -0.314 -6.888 4.038 1.00 0.00 C ATOM 291 CD2 LEU A 30 -0.961 -5.437 5.975 1.00 0.00 C ATOM 0 H LEU A 30 3.120 -4.983 4.966 1.00 0.00 H new ATOM 0 HA LEU A 30 1.384 -4.744 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.039 -6.992 5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.943 -7.295 6.532 1.00 0.00 H new ATOM 0 HG LEU A 30 0.569 -5.004 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.130 -6.443 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.501 -7.148 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.670 -7.788 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.753 -5.003 5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.354 -6.293 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.596 -4.690 6.680 1.00 0.00 H new ATOM 388 N LEU B 6 -1.263 -12.948 1.970 1.00 0.00 N ATOM 389 CA LEU B 6 -0.585 -11.713 1.547 1.00 0.00 C ATOM 390 C LEU B 6 -0.832 -11.331 0.074 1.00 0.00 C ATOM 391 O LEU B 6 -1.280 -10.217 -0.208 1.00 0.00 O ATOM 392 CB LEU B 6 0.909 -11.962 1.817 1.00 0.00 C ATOM 393 CG LEU B 6 1.762 -10.712 1.601 1.00 0.00 C ATOM 394 CD1 LEU B 6 1.553 -9.731 2.764 1.00 0.00 C ATOM 395 CD2 LEU B 6 3.228 -11.138 1.573 1.00 0.00 C ATOM 0 HA LEU B 6 -0.980 -10.863 2.103 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.036 -12.311 2.842 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.265 -12.758 1.163 1.00 0.00 H new ATOM 0 HG LEU B 6 1.480 -10.226 0.667 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.163 -8.842 2.604 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.502 -9.445 2.815 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.845 -10.208 3.700 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.859 -10.262 1.420 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.488 -11.611 2.520 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.386 -11.846 0.759 1.00 0.00 H new ATOM 397 N ALA B 7 -0.614 -12.282 -0.832 1.00 0.00 N ATOM 398 CA ALA B 7 -0.884 -12.134 -2.267 1.00 0.00 C ATOM 399 C ALA B 7 -2.335 -11.678 -2.568 1.00 0.00 C ATOM 400 O ALA B 7 -2.551 -10.737 -3.322 1.00 0.00 O ATOM 401 CB ALA B 7 -0.599 -13.455 -2.997 1.00 0.00 C ATOM 0 H ALA B 7 -0.237 -13.198 -0.587 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.219 -11.350 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -0.803 -13.334 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.446 -13.730 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.238 -14.240 -2.592 1.00 0.00 H new ATOM 403 N ASN B 8 -3.280 -12.264 -1.827 1.00 0.00 N ATOM 404 CA ASN B 8 -4.696 -11.884 -1.873 1.00 0.00 C ATOM 405 C ASN B 8 -4.980 -10.471 -1.344 1.00 0.00 C ATOM 406 O ASN B 8 -5.573 -9.668 -2.072 1.00 0.00 O ATOM 407 CB ASN B 8 -5.491 -12.934 -1.099 1.00 0.00 C ATOM 408 CG ASN B 8 -5.672 -14.231 -1.889 1.00 0.00 C ATOM 409 OD1 ASN B 8 -6.670 -14.463 -2.569 1.00 0.00 O ATOM 410 ND2 ASN B 8 -4.723 -15.136 -1.819 1.00 0.00 N ATOM 0 H ASN B 8 -3.083 -13.021 -1.173 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.004 -11.853 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -4.981 -13.152 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -6.470 -12.528 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.820 -16.017 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.889 -14.958 -1.259 1.00 0.00 H new ATOM 414 N ALA B 9 -4.397 -10.117 -0.206 1.00 0.00 N ATOM 415 CA ALA B 9 -4.456 -8.745 0.348 1.00 0.00 C ATOM 416 C ALA B 9 -3.971 -7.651 -0.612 1.00 0.00 C ATOM 417 O ALA B 9 -4.666 -6.656 -0.811 1.00 0.00 O ATOM 418 CB ALA B 9 -3.671 -8.694 1.674 1.00 0.00 C ATOM 0 H ALA B 9 -3.864 -10.767 0.371 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.510 -8.525 0.518 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.713 -7.685 2.083 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -4.112 -9.393 2.385 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.632 -8.969 1.492 1.00 0.00 H new ATOM 420 N PHE B 10 -2.952 -8.021 -1.375 1.00 0.00 N ATOM 421 CA PHE B 10 -2.388 -7.205 -2.467 1.00 0.00 C ATOM 422 C PHE B 10 -3.464 -6.846 -3.490 1.00 0.00 C ATOM 423 O PHE B 10 -3.966 -5.729 -3.495 1.00 0.00 O ATOM 424 CB PHE B 10 -1.232 -7.906 -3.180 1.00 0.00 C ATOM 425 CG PHE B 10 -0.475 -6.972 -4.148 1.00 0.00 C ATOM 426 CD1 PHE B 10 0.067 -5.741 -3.681 1.00 0.00 C ATOM 427 CD2 PHE B 10 -0.479 -7.278 -5.523 1.00 0.00 C ATOM 428 CE1 PHE B 10 0.579 -4.816 -4.606 1.00 0.00 C ATOM 429 CE2 PHE B 10 0.037 -6.359 -6.455 1.00 0.00 C ATOM 430 CZ PHE B 10 0.563 -5.131 -5.982 1.00 0.00 C ATOM 0 H PHE B 10 -2.476 -8.916 -1.258 1.00 0.00 H new ATOM 0 HA PHE B 10 -2.002 -6.297 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -0.535 -8.295 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -1.618 -8.762 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE B 10 0.084 -5.520 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -0.880 -8.222 -5.863 1.00 0.00 H new ATOM 0 HE1 PHE B 10 0.981 -3.873 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE B 10 0.032 -6.585 -7.511 1.00 0.00 H new ATOM 0 HZ PHE B 10 0.961 -4.420 -6.691 1.00 0.00 H new ATOM 432 N ARG B 11 -4.018 -7.924 -4.013 1.00 0.00 N ATOM 433 CA ARG B 11 -5.062 -7.914 -5.043 1.00 0.00 C ATOM 434 C ARG B 11 -6.441 -7.378 -4.625 1.00 0.00 C ATOM 435 O ARG B 11 -7.278 -7.063 -5.465 1.00 0.00 O ATOM 436 CB ARG B 11 -5.210 -9.291 -5.719 1.00 0.00 C ATOM 437 CG ARG B 11 -4.340 -9.405 -6.984 1.00 0.00 C ATOM 438 CD ARG B 11 -4.766 -8.447 -8.108 1.00 0.00 C ATOM 439 NE ARG B 11 -6.172 -8.701 -8.500 1.00 0.00 N ATOM 440 CZ ARG B 11 -6.645 -8.872 -9.735 1.00 0.00 C ATOM 441 NH1 ARG B 11 -5.886 -8.836 -10.819 1.00 0.00 N ATOM 442 NH2 ARG B 11 -7.954 -9.020 -9.915 1.00 0.00 N ATOM 0 H ARG B 11 -3.751 -8.866 -3.729 1.00 0.00 H new ATOM 0 HA ARG B 11 -4.688 -7.179 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -4.930 -10.074 -5.014 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.255 -9.457 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.301 -9.205 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.383 -10.429 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.656 -7.415 -7.776 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -4.113 -8.576 -8.971 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.853 -8.750 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.883 -8.670 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.304 -8.974 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.584 -9.002 -9.113 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.328 -9.151 -10.855 1.00 0.00 H new ATOM 449 N ILE B 12 -6.644 -7.355 -3.313 1.00 0.00 N ATOM 450 CA ILE B 12 -7.806 -6.717 -2.698 1.00 0.00 C ATOM 451 C ILE B 12 -7.734 -5.168 -2.740 1.00 0.00 C ATOM 452 O ILE B 12 -8.657 -4.479 -3.170 1.00 0.00 O ATOM 453 CB ILE B 12 -8.159 -7.281 -1.315 1.00 0.00 C ATOM 454 CG1 ILE B 12 -8.650 -8.735 -1.457 1.00 0.00 C ATOM 455 CG2 ILE B 12 -9.206 -6.463 -0.534 1.00 0.00 C ATOM 456 CD1 ILE B 12 -8.525 -9.570 -0.173 1.00 0.00 C ATOM 0 H ILE B 12 -6.005 -7.780 -2.641 1.00 0.00 H new ATOM 0 HA ILE B 12 -8.654 -6.987 -3.327 1.00 0.00 H new ATOM 0 HB ILE B 12 -7.239 -7.227 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -9.694 -8.725 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -8.083 -9.222 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -9.392 -6.936 0.430 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -8.833 -5.451 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.134 -6.422 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -8.892 -10.580 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -7.479 -9.614 0.132 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -9.115 -9.109 0.619 1.00 0.00 H new ATOM 458 N PHE B 13 -6.581 -4.699 -2.314 1.00 0.00 N ATOM 459 CA PHE B 13 -6.189 -3.282 -2.238 1.00 0.00 C ATOM 460 C PHE B 13 -5.805 -2.667 -3.597 1.00 0.00 C ATOM 461 O PHE B 13 -6.039 -1.488 -3.859 1.00 0.00 O ATOM 462 CB PHE B 13 -5.041 -3.238 -1.238 1.00 0.00 C ATOM 463 CG PHE B 13 -5.421 -3.449 0.253 1.00 0.00 C ATOM 464 CD1 PHE B 13 -6.722 -3.190 0.739 1.00 0.00 C ATOM 465 CD2 PHE B 13 -4.446 -4.042 1.089 1.00 0.00 C ATOM 466 CE1 PHE B 13 -7.062 -3.540 2.064 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.781 -4.398 2.407 1.00 0.00 C ATOM 468 CZ PHE B 13 -6.086 -4.144 2.880 1.00 0.00 C ATOM 0 H PHE B 13 -5.840 -5.321 -1.990 1.00 0.00 H new ATOM 0 HA PHE B 13 -7.033 -2.670 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -4.314 -4.001 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -4.542 -2.273 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.456 -2.725 0.098 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.448 -4.221 0.716 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -8.054 -3.348 2.445 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -4.048 -4.861 3.051 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.342 -4.419 3.892 1.00 0.00 H new ATOM 470 N ASP B 14 -5.151 -3.478 -4.420 1.00 0.00 N ATOM 471 CA ASP B 14 -4.844 -3.271 -5.855 1.00 0.00 C ATOM 472 C ASP B 14 -6.123 -3.429 -6.711 1.00 0.00 C ATOM 473 O ASP B 14 -6.150 -4.061 -7.759 1.00 0.00 O ATOM 474 CB ASP B 14 -3.732 -4.258 -6.245 1.00 0.00 C ATOM 475 CG ASP B 14 -3.282 -4.332 -7.710 1.00 0.00 C ATOM 476 OD1 ASP B 14 -3.582 -3.413 -8.517 1.00 0.00 O ATOM 477 OD2 ASP B 14 -2.650 -5.359 -8.047 1.00 0.00 O ATOM 0 H ASP B 14 -4.787 -4.371 -4.088 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.488 -2.257 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -2.855 -4.020 -5.643 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -4.059 -5.255 -5.951 1.00 0.00 H new ATOM 479 N LYS B 15 -7.125 -2.677 -6.266 1.00 0.00 N ATOM 480 CA LYS B 15 -8.479 -2.565 -6.851 1.00 0.00 C ATOM 481 C LYS B 15 -8.458 -2.356 -8.381 1.00 0.00 C ATOM 482 O LYS B 15 -9.152 -3.072 -9.095 1.00 0.00 O ATOM 483 CB LYS B 15 -9.236 -1.422 -6.185 1.00 0.00 C ATOM 484 CG LYS B 15 -9.619 -1.810 -4.759 1.00 0.00 C ATOM 485 CD LYS B 15 -10.328 -0.653 -4.058 1.00 0.00 C ATOM 486 CE LYS B 15 -9.345 0.415 -3.583 1.00 0.00 C ATOM 487 NZ LYS B 15 -10.079 1.628 -3.187 1.00 0.00 N ATOM 0 H LYS B 15 -7.019 -2.090 -5.439 1.00 0.00 H new ATOM 0 HA LYS B 15 -8.985 -3.513 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -8.618 -0.524 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -10.132 -1.185 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -10.269 -2.685 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -8.726 -2.088 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -11.050 -0.204 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -10.889 -1.035 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.764 0.039 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.637 0.650 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.405 2.352 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -10.614 1.991 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -10.737 1.399 -2.415 1.00 0.00 H new ATOM 492 N ASN B 16 -7.627 -1.424 -8.866 1.00 0.00 N ATOM 493 CA ASN B 16 -7.526 -1.143 -10.299 1.00 0.00 C ATOM 494 C ASN B 16 -6.561 -2.037 -11.119 1.00 0.00 C ATOM 495 O ASN B 16 -6.044 -1.614 -12.151 1.00 0.00 O ATOM 496 CB ASN B 16 -7.291 0.368 -10.459 1.00 0.00 C ATOM 497 CG ASN B 16 -5.956 0.905 -9.964 1.00 0.00 C ATOM 498 OD1 ASN B 16 -5.758 1.251 -8.806 1.00 0.00 O ATOM 499 ND2 ASN B 16 -5.013 1.043 -10.873 1.00 0.00 N ATOM 0 H ASN B 16 -7.015 -0.852 -8.284 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.471 -1.429 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -7.388 0.618 -11.515 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.087 0.894 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -4.110 1.440 -10.615 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -5.186 0.752 -11.835 1.00 0.00 H new ATOM 503 N ALA B 17 -6.237 -3.206 -10.560 1.00 0.00 N ATOM 504 CA ALA B 17 -5.633 -4.381 -11.231 1.00 0.00 C ATOM 505 C ALA B 17 -4.352 -4.137 -12.053 1.00 0.00 C ATOM 506 O ALA B 17 -3.919 -4.989 -12.834 1.00 0.00 O ATOM 507 CB ALA B 17 -6.711 -5.105 -12.054 1.00 0.00 C ATOM 0 H ALA B 17 -6.395 -3.377 -9.567 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.268 -5.013 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -6.271 -5.970 -12.549 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -7.513 -5.434 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -7.115 -4.424 -12.804 1.00 0.00 H new ATOM 509 N ASP B 18 -3.593 -3.161 -11.585 1.00 0.00 N ATOM 510 CA ASP B 18 -2.383 -2.674 -12.271 1.00 0.00 C ATOM 511 C ASP B 18 -1.045 -3.241 -11.743 1.00 0.00 C ATOM 512 O ASP B 18 0.022 -2.714 -12.053 1.00 0.00 O ATOM 513 CB ASP B 18 -2.366 -1.132 -12.230 1.00 0.00 C ATOM 514 CG ASP B 18 -2.226 -0.500 -10.846 1.00 0.00 C ATOM 515 OD1 ASP B 18 -2.244 -1.252 -9.853 1.00 0.00 O ATOM 516 OD2 ASP B 18 -2.113 0.750 -10.800 1.00 0.00 O ATOM 0 H ASP B 18 -3.791 -2.673 -10.712 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.451 -3.045 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -1.543 -0.781 -12.853 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.287 -0.766 -12.683 1.00 0.00 H new ATOM 518 N GLY B 19 -1.137 -4.237 -10.852 1.00 0.00 N ATOM 519 CA GLY B 19 0.013 -4.824 -10.134 1.00 0.00 C ATOM 520 C GLY B 19 0.724 -3.827 -9.197 1.00 0.00 C ATOM 521 O GLY B 19 1.840 -4.066 -8.759 1.00 0.00 O ATOM 0 H GLY B 19 -2.027 -4.668 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -0.330 -5.678 -9.550 1.00 0.00 H new ATOM 0 HA3 GLY B 19 0.731 -5.203 -10.861 1.00 0.00 H new ATOM 523 N TYR B 20 0.000 -2.762 -8.850 1.00 0.00 N ATOM 524 CA TYR B 20 0.473 -1.676 -7.972 1.00 0.00 C ATOM 525 C TYR B 20 -0.644 -1.309 -6.971 1.00 0.00 C ATOM 526 O TYR B 20 -1.766 -1.815 -7.031 1.00 0.00 O ATOM 527 CB TYR B 20 0.731 -0.392 -8.775 1.00 0.00 C ATOM 528 CG TYR B 20 1.470 -0.488 -10.114 1.00 0.00 C ATOM 529 CD1 TYR B 20 2.731 -1.122 -10.175 1.00 0.00 C ATOM 530 CD2 TYR B 20 0.959 0.238 -11.214 1.00 0.00 C ATOM 531 CE1 TYR B 20 3.491 -1.038 -11.367 1.00 0.00 C ATOM 532 CE2 TYR B 20 1.713 0.327 -12.400 1.00 0.00 C ATOM 533 CZ TYR B 20 2.972 -0.315 -12.456 1.00 0.00 C ATOM 534 OH TYR B 20 3.706 -0.216 -13.593 1.00 0.00 O ATOM 0 H TYR B 20 -0.956 -2.622 -9.177 1.00 0.00 H new ATOM 0 HA TYR B 20 1.383 -2.026 -7.484 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -0.235 0.077 -8.965 1.00 0.00 H new ATOM 0 HB3 TYR B 20 1.295 0.288 -8.136 1.00 0.00 H new ATOM 0 HD1 TYR B 20 3.111 -1.665 -9.322 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -0.004 0.722 -11.145 1.00 0.00 H new ATOM 0 HE1 TYR B 20 4.454 -1.522 -11.439 1.00 0.00 H new ATOM 0 HE2 TYR B 20 1.337 0.875 -13.251 1.00 0.00 H new ATOM 0 HH TYR B 20 3.214 0.313 -14.255 1.00 0.00 H new ATOM 537 N ILE B 21 -0.249 -0.507 -6.009 1.00 0.00 N ATOM 538 CA ILE B 21 -1.151 0.285 -5.138 1.00 0.00 C ATOM 539 C ILE B 21 -0.745 1.757 -5.282 1.00 0.00 C ATOM 540 O ILE B 21 0.416 2.127 -5.119 1.00 0.00 O ATOM 541 CB ILE B 21 -1.194 -0.247 -3.714 1.00 0.00 C ATOM 542 CG1 ILE B 21 -2.096 -1.494 -3.678 1.00 0.00 C ATOM 543 CG2 ILE B 21 -1.704 0.758 -2.659 1.00 0.00 C ATOM 544 CD1 ILE B 21 -1.651 -2.515 -2.635 1.00 0.00 C ATOM 0 H ILE B 21 0.737 -0.369 -5.787 1.00 0.00 H new ATOM 0 HA ILE B 21 -2.191 0.192 -5.452 1.00 0.00 H new ATOM 0 HB ILE B 21 -0.161 -0.469 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -3.121 -1.189 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -2.099 -1.964 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -1.698 0.288 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -1.054 1.633 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -2.720 1.064 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -2.324 -3.372 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -0.636 -2.845 -2.858 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -1.675 -2.058 -1.646 1.00 0.00 H new ATOM 546 N ASP B 22 -1.758 2.551 -5.597 1.00 0.00 N ATOM 547 CA ASP B 22 -1.645 4.016 -5.789 1.00 0.00 C ATOM 548 C ASP B 22 -2.268 4.822 -4.669 1.00 0.00 C ATOM 549 O ASP B 22 -3.007 4.305 -3.843 1.00 0.00 O ATOM 550 CB ASP B 22 -2.211 4.431 -7.145 1.00 0.00 C ATOM 551 CG ASP B 22 -3.185 3.462 -7.850 1.00 0.00 C ATOM 552 OD1 ASP B 22 -4.355 3.493 -7.413 1.00 0.00 O ATOM 553 OD2 ASP B 22 -2.745 2.760 -8.787 1.00 0.00 O ATOM 0 H ASP B 22 -2.707 2.202 -5.732 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.580 4.245 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -2.723 5.384 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -1.372 4.609 -7.817 1.00 0.00 H new ATOM 555 N ILE B 23 -2.092 6.126 -4.809 1.00 0.00 N ATOM 556 CA ILE B 23 -2.504 7.096 -3.776 1.00 0.00 C ATOM 557 C ILE B 23 -3.932 6.940 -3.237 1.00 0.00 C ATOM 558 O ILE B 23 -4.090 6.729 -2.042 1.00 0.00 O ATOM 559 CB ILE B 23 -2.117 8.557 -4.126 1.00 0.00 C ATOM 560 CG1 ILE B 23 -2.546 9.519 -3.011 1.00 0.00 C ATOM 561 CG2 ILE B 23 -2.677 9.023 -5.473 1.00 0.00 C ATOM 562 CD1 ILE B 23 -2.015 9.158 -1.621 1.00 0.00 C ATOM 0 H ILE B 23 -1.664 6.552 -5.631 1.00 0.00 H new ATOM 0 HA ILE B 23 -1.899 6.821 -2.912 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.031 8.569 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.208 10.524 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -3.635 9.549 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.370 10.052 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -2.295 8.382 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.765 8.967 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.367 9.891 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.374 8.168 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -0.925 9.158 -1.637 1.00 0.00 H new ATOM 564 N GLU B 24 -4.921 6.931 -4.114 1.00 0.00 N ATOM 565 CA GLU B 24 -6.318 6.909 -3.660 1.00 0.00 C ATOM 566 C GLU B 24 -6.759 5.662 -2.909 1.00 0.00 C ATOM 567 O GLU B 24 -7.258 5.724 -1.784 1.00 0.00 O ATOM 568 CB GLU B 24 -7.212 7.167 -4.883 1.00 0.00 C ATOM 569 CG GLU B 24 -8.378 8.086 -4.520 1.00 0.00 C ATOM 570 CD GLU B 24 -8.531 9.213 -5.550 1.00 0.00 C ATOM 571 OE1 GLU B 24 -7.509 9.870 -5.848 1.00 0.00 O ATOM 572 OE2 GLU B 24 -9.668 9.377 -6.029 1.00 0.00 O ATOM 0 H GLU B 24 -4.797 6.938 -5.126 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.415 7.692 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -6.622 7.618 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.595 6.221 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.300 7.507 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.215 8.513 -3.530 1.00 0.00 H new ATOM 574 N GLU B 25 -6.275 4.576 -3.473 1.00 0.00 N ATOM 575 CA GLU B 25 -6.196 3.234 -2.886 1.00 0.00 C ATOM 576 C GLU B 25 -5.520 3.283 -1.504 1.00 0.00 C ATOM 577 O GLU B 25 -6.216 3.090 -0.514 1.00 0.00 O ATOM 578 CB GLU B 25 -5.405 2.366 -3.859 1.00 0.00 C ATOM 579 CG GLU B 25 -6.221 1.953 -5.080 1.00 0.00 C ATOM 580 CD GLU B 25 -5.477 0.920 -5.926 1.00 0.00 C ATOM 581 OE1 GLU B 25 -4.242 1.060 -6.049 1.00 0.00 O ATOM 582 OE2 GLU B 25 -6.181 0.014 -6.425 1.00 0.00 O ATOM 0 H GLU B 25 -5.897 4.598 -4.420 1.00 0.00 H new ATOM 0 HA GLU B 25 -7.192 2.818 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.519 2.910 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.057 1.472 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -7.177 1.541 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.441 2.832 -5.686 1.00 0.00 H new ATOM 584 N LEU B 26 -4.274 3.752 -1.432 1.00 0.00 N ATOM 585 CA LEU B 26 -3.526 3.800 -0.158 1.00 0.00 C ATOM 586 C LEU B 26 -4.106 4.771 0.876 1.00 0.00 C ATOM 587 O LEU B 26 -4.141 4.398 2.051 1.00 0.00 O ATOM 588 CB LEU B 26 -2.016 4.000 -0.388 1.00 0.00 C ATOM 589 CG LEU B 26 -1.238 3.416 0.797 1.00 0.00 C ATOM 590 CD1 LEU B 26 -0.007 2.649 0.316 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.882 4.475 1.833 1.00 0.00 C ATOM 0 H LEU B 26 -3.755 4.106 -2.235 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.655 2.817 0.295 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.710 3.512 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.791 5.061 -0.497 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.895 2.707 1.301 1.00 0.00 H new ATOM 0 HD11 LEU B 26 0.528 2.244 1.175 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.319 1.832 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.649 3.323 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.332 4.012 2.652 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.264 5.244 1.370 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.795 4.928 2.219 1.00 0.00 H new ATOM 593 N GLY B 27 -4.609 5.937 0.458 1.00 0.00 N ATOM 594 CA GLY B 27 -5.442 6.777 1.351 1.00 0.00 C ATOM 595 C GLY B 27 -6.607 5.989 1.973 1.00 0.00 C ATOM 596 O GLY B 27 -6.607 5.766 3.183 1.00 0.00 O ATOM 0 H GLY B 27 -4.463 6.323 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -4.819 7.188 2.145 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -5.838 7.622 0.787 1.00 0.00 H new ATOM 598 N GLU B 28 -7.438 5.389 1.119 1.00 0.00 N ATOM 599 CA GLU B 28 -8.568 4.533 1.529 1.00 0.00 C ATOM 600 C GLU B 28 -8.181 3.335 2.427 1.00 0.00 C ATOM 601 O GLU B 28 -8.917 3.004 3.354 1.00 0.00 O ATOM 602 CB GLU B 28 -9.334 4.019 0.307 1.00 0.00 C ATOM 603 CG GLU B 28 -10.169 5.112 -0.351 1.00 0.00 C ATOM 604 CD GLU B 28 -10.777 4.611 -1.665 1.00 0.00 C ATOM 605 OE1 GLU B 28 -11.805 3.906 -1.591 1.00 0.00 O ATOM 606 OE2 GLU B 28 -10.167 4.911 -2.710 1.00 0.00 O ATOM 0 H GLU B 28 -7.349 5.481 0.107 1.00 0.00 H new ATOM 0 HA GLU B 28 -9.199 5.182 2.135 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.628 3.617 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -9.985 3.198 0.607 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.963 5.427 0.326 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.547 5.986 -0.542 1.00 0.00 H new ATOM 608 N ILE B 29 -7.075 2.659 2.078 1.00 0.00 N ATOM 609 CA ILE B 29 -6.453 1.573 2.874 1.00 0.00 C ATOM 610 C ILE B 29 -6.114 2.225 4.247 1.00 0.00 C ATOM 611 O ILE B 29 -6.818 2.032 5.232 1.00 0.00 O ATOM 612 CB ILE B 29 -5.275 0.897 2.200 1.00 0.00 C ATOM 613 CG1 ILE B 29 -5.651 0.342 0.826 1.00 0.00 C ATOM 614 CG2 ILE B 29 -4.745 -0.262 3.063 1.00 0.00 C ATOM 615 CD1 ILE B 29 -4.443 0.139 -0.098 1.00 0.00 C ATOM 0 H ILE B 29 -6.571 2.853 1.213 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.138 0.733 2.993 1.00 0.00 H new ATOM 0 HB ILE B 29 -4.504 1.658 2.079 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -6.165 -0.610 0.955 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -6.355 1.022 0.347 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -3.900 -0.733 2.561 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -4.423 0.123 4.031 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.536 -0.998 3.210 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -4.780 -0.257 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -3.941 1.094 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.748 -0.564 0.361 1.00 0.00 H new ATOM 617 N LEU B 30 -5.044 3.028 4.270 1.00 0.00 N ATOM 618 CA LEU B 30 -4.582 3.699 5.495 1.00 0.00 C ATOM 619 C LEU B 30 -5.237 5.055 5.788 1.00 0.00 C ATOM 620 O LEU B 30 -4.661 6.151 5.809 1.00 0.00 O ATOM 621 CB LEU B 30 -3.085 3.855 5.592 1.00 0.00 C ATOM 622 CG LEU B 30 -2.347 2.527 5.822 1.00 0.00 C ATOM 623 CD1 LEU B 30 -1.959 1.857 4.494 1.00 0.00 C ATOM 624 CD2 LEU B 30 -1.083 2.790 6.643 1.00 0.00 C ATOM 0 H LEU B 30 -4.476 3.231 3.447 1.00 0.00 H new ATOM 0 HA LEU B 30 -4.915 2.996 6.259 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -2.715 4.314 4.675 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -2.850 4.539 6.408 1.00 0.00 H new ATOM 0 HG LEU B 30 -3.018 1.854 6.357 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.439 0.921 4.697 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -2.858 1.654 3.913 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -1.304 2.521 3.929 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.555 1.851 6.809 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -0.435 3.480 6.102 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.357 3.227 7.603 1.00 0.00 H new