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 Set 1.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 20 TYR OH : rot -84:sc= 0.496 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc=-0.00142 (180deg=-0.142) USER MOD Single : A 16 ASN : amide:sc= -0.769 K(o=-0.77,f=-8.6!) USER MOD Single : B 8 ASN : amide:sc= -2.32! K(o=-2.3!,f=0.44) USER MOD Single : B 15 LYS NZ :NH3+ 165:sc= 0.202 (180deg=0.125) USER MOD Single : B 16 ASN : amide:sc= 0.425 K(o=0.43,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 7 2.892 11.282 0.753 1.00 0.00 N ATOM 65 CA ALA A 7 3.137 11.584 -0.672 1.00 0.00 C ATOM 66 C ALA A 7 4.425 10.939 -1.208 1.00 0.00 C ATOM 67 O ALA A 7 4.411 10.217 -2.201 1.00 0.00 O ATOM 68 CB ALA A 7 3.194 13.109 -0.881 1.00 0.00 C ATOM 0 HA ALA A 7 2.307 11.156 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.375 13.325 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.246 13.554 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.001 13.529 -0.280 1.00 0.00 H new ATOM 70 N ASN A 8 5.488 11.058 -0.407 1.00 0.00 N ATOM 71 CA ASN A 8 6.785 10.411 -0.632 1.00 0.00 C ATOM 72 C ASN A 8 6.772 8.896 -0.392 1.00 0.00 C ATOM 73 O ASN A 8 7.208 8.141 -1.258 1.00 0.00 O ATOM 74 CB ASN A 8 7.781 11.092 0.313 1.00 0.00 C ATOM 75 CG ASN A 8 7.969 12.589 0.043 1.00 0.00 C ATOM 76 OD1 ASN A 8 8.723 13.014 -0.818 1.00 0.00 O ATOM 77 ND2 ASN A 8 7.283 13.433 0.788 1.00 0.00 N ATOM 0 H ASN A 8 5.470 11.624 0.441 1.00 0.00 H new ATOM 0 HA ASN A 8 7.060 10.527 -1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.442 10.958 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.747 10.593 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.383 14.438 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.652 13.081 1.508 1.00 0.00 H new ATOM 81 N ALA A 9 6.239 8.460 0.751 1.00 0.00 N ATOM 82 CA ALA A 9 6.040 7.032 1.082 1.00 0.00 C ATOM 83 C ALA A 9 5.361 6.204 -0.004 1.00 0.00 C ATOM 84 O ALA A 9 5.922 5.204 -0.444 1.00 0.00 O ATOM 85 CB ALA A 9 5.305 6.911 2.421 1.00 0.00 C ATOM 0 H ALA A 9 5.926 9.091 1.489 1.00 0.00 H new ATOM 0 HA ALA A 9 7.037 6.599 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.160 5.858 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.896 7.385 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.335 7.404 2.350 1.00 0.00 H new ATOM 87 N PHE A 10 4.375 6.840 -0.627 1.00 0.00 N ATOM 88 CA PHE A 10 3.647 6.321 -1.793 1.00 0.00 C ATOM 89 C PHE A 10 4.628 5.889 -2.892 1.00 0.00 C ATOM 90 O PHE A 10 4.886 4.708 -3.067 1.00 0.00 O ATOM 91 CB PHE A 10 2.705 7.378 -2.366 1.00 0.00 C ATOM 92 CG PHE A 10 1.717 6.773 -3.367 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.646 5.979 -2.898 1.00 0.00 C ATOM 94 CD2 PHE A 10 2.017 6.818 -4.748 1.00 0.00 C ATOM 95 CE1 PHE A 10 -0.103 5.202 -3.796 1.00 0.00 C ATOM 96 CE2 PHE A 10 1.270 6.035 -5.654 1.00 0.00 C ATOM 97 CZ PHE A 10 0.214 5.229 -5.172 1.00 0.00 C ATOM 0 H PHE A 10 4.046 7.759 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 10 3.065 5.462 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.155 7.854 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.288 8.158 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.403 5.970 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.815 7.450 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.916 4.588 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.504 6.052 -6.708 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.357 4.627 -5.863 1.00 0.00 H new ATOM 99 N ARG A 11 5.423 6.892 -3.231 1.00 0.00 N ATOM 100 CA ARG A 11 6.431 6.811 -4.282 1.00 0.00 C ATOM 101 C ARG A 11 7.637 5.896 -4.006 1.00 0.00 C ATOM 102 O ARG A 11 7.968 5.053 -4.831 1.00 0.00 O ATOM 103 CB ARG A 11 6.858 8.203 -4.771 1.00 0.00 C ATOM 104 CG ARG A 11 5.856 8.697 -5.816 1.00 0.00 C ATOM 105 CD ARG A 11 5.735 7.743 -7.020 1.00 0.00 C ATOM 106 NE ARG A 11 4.314 7.670 -7.383 1.00 0.00 N ATOM 107 CZ ARG A 11 3.769 7.947 -8.568 1.00 0.00 C ATOM 108 NH1 ARG A 11 4.498 8.105 -9.669 1.00 0.00 N ATOM 109 NH2 ARG A 11 2.540 8.450 -8.577 1.00 0.00 N ATOM 0 H ARG A 11 5.387 7.804 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 11 5.914 6.299 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.901 8.899 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.859 8.160 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.878 8.813 -5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.160 9.683 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.327 8.108 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.117 6.754 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 11 3.673 7.375 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.513 8.015 -9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.042 8.316 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.048 8.611 -7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.088 8.675 -9.463 1.00 0.00 H new ATOM 116 N ILE A 12 8.006 5.895 -2.729 1.00 0.00 N ATOM 117 CA ILE A 12 9.062 5.033 -2.184 1.00 0.00 C ATOM 118 C ILE A 12 8.769 3.536 -2.468 1.00 0.00 C ATOM 119 O ILE A 12 9.500 2.831 -3.140 1.00 0.00 O ATOM 120 CB ILE A 12 9.374 5.335 -0.717 1.00 0.00 C ATOM 121 CG1 ILE A 12 10.050 6.708 -0.587 1.00 0.00 C ATOM 122 CG2 ILE A 12 10.233 4.262 -0.012 1.00 0.00 C ATOM 123 CD1 ILE A 12 9.936 7.335 0.805 1.00 0.00 C ATOM 0 H ILE A 12 7.577 6.500 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 12 9.985 5.269 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 12 8.410 5.333 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.105 6.607 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.610 7.388 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.406 4.557 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.711 3.305 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.189 4.166 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.439 8.302 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.884 7.472 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.403 6.678 1.539 1.00 0.00 H new ATOM 125 N PHE A 13 7.606 3.154 -1.951 1.00 0.00 N ATOM 126 CA PHE A 13 7.019 1.809 -2.067 1.00 0.00 C ATOM 127 C PHE A 13 6.594 1.451 -3.508 1.00 0.00 C ATOM 128 O PHE A 13 6.803 0.331 -3.974 1.00 0.00 O ATOM 129 CB PHE A 13 5.862 1.794 -1.084 1.00 0.00 C ATOM 130 CG PHE A 13 6.346 1.724 0.378 1.00 0.00 C ATOM 131 CD1 PHE A 13 7.237 0.704 0.807 1.00 0.00 C ATOM 132 CD2 PHE A 13 6.039 2.801 1.249 1.00 0.00 C ATOM 133 CE1 PHE A 13 7.836 0.780 2.085 1.00 0.00 C ATOM 134 CE2 PHE A 13 6.637 2.895 2.513 1.00 0.00 C ATOM 135 CZ PHE A 13 7.534 1.878 2.929 1.00 0.00 C ATOM 0 H PHE A 13 7.017 3.793 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 13 7.752 1.038 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.257 2.690 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.219 0.939 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.457 -0.130 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.336 3.558 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.517 0.009 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.418 3.730 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.994 1.941 3.904 1.00 0.00 H new ATOM 137 N ASP A 14 6.046 2.435 -4.206 1.00 0.00 N ATOM 138 CA ASP A 14 5.727 2.435 -5.649 1.00 0.00 C ATOM 139 C ASP A 14 7.008 2.654 -6.473 1.00 0.00 C ATOM 140 O ASP A 14 7.137 3.578 -7.271 1.00 0.00 O ATOM 141 CB ASP A 14 4.666 3.516 -5.912 1.00 0.00 C ATOM 142 CG ASP A 14 4.200 3.690 -7.359 1.00 0.00 C ATOM 143 OD1 ASP A 14 4.631 2.926 -8.244 1.00 0.00 O ATOM 144 OD2 ASP A 14 3.419 4.651 -7.587 1.00 0.00 O ATOM 0 H ASP A 14 5.791 3.317 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 14 5.319 1.472 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.793 3.291 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.061 4.471 -5.566 1.00 0.00 H new ATOM 146 N LYS A 15 7.907 1.699 -6.283 1.00 0.00 N ATOM 147 CA LYS A 15 9.241 1.617 -6.929 1.00 0.00 C ATOM 148 C LYS A 15 9.238 1.796 -8.464 1.00 0.00 C ATOM 149 O LYS A 15 10.128 2.462 -8.998 1.00 0.00 O ATOM 150 CB LYS A 15 9.872 0.294 -6.477 1.00 0.00 C ATOM 151 CG LYS A 15 11.321 0.114 -6.902 1.00 0.00 C ATOM 152 CD LYS A 15 11.929 -1.067 -6.140 1.00 0.00 C ATOM 153 CE LYS A 15 13.251 -1.568 -6.726 1.00 0.00 C ATOM 154 NZ LYS A 15 13.019 -2.216 -8.025 1.00 0.00 N ATOM 0 H LYS A 15 7.734 0.918 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 15 9.842 2.467 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.814 0.230 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.283 -0.531 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.378 -0.063 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.887 1.023 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.091 -0.773 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.212 -1.888 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.943 -0.734 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.718 -2.273 -6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.865 -2.755 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.207 -2.861 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.821 -1.491 -8.744 1.00 0.00 H new ATOM 159 N ASN A 16 8.272 1.196 -9.155 1.00 0.00 N ATOM 160 CA ASN A 16 8.119 1.344 -10.616 1.00 0.00 C ATOM 161 C ASN A 16 7.598 2.708 -11.097 1.00 0.00 C ATOM 162 O ASN A 16 7.653 3.010 -12.288 1.00 0.00 O ATOM 163 CB ASN A 16 7.269 0.173 -11.138 1.00 0.00 C ATOM 164 CG ASN A 16 5.826 0.126 -10.641 1.00 0.00 C ATOM 165 OD1 ASN A 16 5.222 1.112 -10.238 1.00 0.00 O ATOM 166 ND2 ASN A 16 5.200 -1.027 -10.771 1.00 0.00 N ATOM 0 H ASN A 16 7.570 0.593 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 16 9.121 1.311 -11.045 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.257 0.215 -12.227 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.760 -0.760 -10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.210 -1.099 -10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.706 -1.847 -11.107 1.00 0.00 H new ATOM 170 N ALA A 17 6.970 3.450 -10.181 1.00 0.00 N ATOM 171 CA ALA A 17 6.439 4.823 -10.351 1.00 0.00 C ATOM 172 C ALA A 17 5.280 4.939 -11.367 1.00 0.00 C ATOM 173 O ALA A 17 5.239 5.794 -12.247 1.00 0.00 O ATOM 174 CB ALA A 17 7.574 5.824 -10.602 1.00 0.00 C ATOM 0 H ALA A 17 6.804 3.094 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 17 5.972 5.090 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.157 6.824 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.259 5.817 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.113 5.543 -11.507 1.00 0.00 H new ATOM 176 N ASP A 18 4.258 4.122 -11.099 1.00 0.00 N ATOM 177 CA ASP A 18 3.037 4.045 -11.920 1.00 0.00 C ATOM 178 C ASP A 18 1.780 4.733 -11.332 1.00 0.00 C ATOM 179 O ASP A 18 0.694 4.588 -11.887 1.00 0.00 O ATOM 180 CB ASP A 18 2.737 2.564 -12.205 1.00 0.00 C ATOM 181 CG ASP A 18 2.509 1.674 -10.983 1.00 0.00 C ATOM 182 OD1 ASP A 18 2.380 2.232 -9.875 1.00 0.00 O ATOM 183 OD2 ASP A 18 2.431 0.443 -11.182 1.00 0.00 O ATOM 0 H ASP A 18 4.250 3.488 -10.300 1.00 0.00 H new ATOM 0 HA ASP A 18 3.252 4.609 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.852 2.510 -12.838 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.566 2.151 -12.780 1.00 0.00 H new ATOM 185 N GLY A 19 1.917 5.332 -10.148 1.00 0.00 N ATOM 186 CA GLY A 19 0.785 5.908 -9.392 1.00 0.00 C ATOM 187 C GLY A 19 -0.103 4.883 -8.673 1.00 0.00 C ATOM 188 O GLY A 19 -1.213 5.207 -8.257 1.00 0.00 O ATOM 0 H GLY A 19 2.816 5.436 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.179 6.607 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.165 6.485 -10.078 1.00 0.00 H new ATOM 190 N TYR A 20 0.429 3.668 -8.496 1.00 0.00 N ATOM 191 CA TYR A 20 -0.255 2.561 -7.804 1.00 0.00 C ATOM 192 C TYR A 20 0.723 1.901 -6.817 1.00 0.00 C ATOM 193 O TYR A 20 1.931 2.127 -6.831 1.00 0.00 O ATOM 194 CB TYR A 20 -0.642 1.458 -8.784 1.00 0.00 C ATOM 195 CG TYR A 20 -1.188 1.862 -10.156 1.00 0.00 C ATOM 196 CD1 TYR A 20 -2.310 2.725 -10.243 1.00 0.00 C ATOM 197 CD2 TYR A 20 -0.694 1.192 -11.289 1.00 0.00 C ATOM 198 CE1 TYR A 20 -2.942 2.908 -11.483 1.00 0.00 C ATOM 199 CE2 TYR A 20 -1.320 1.378 -12.542 1.00 0.00 C ATOM 200 CZ TYR A 20 -2.450 2.225 -12.619 1.00 0.00 C ATOM 201 OH TYR A 20 -3.102 2.340 -13.799 1.00 0.00 O ATOM 0 H TYR A 20 1.359 3.419 -8.833 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.135 2.978 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.237 0.835 -8.947 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.391 0.831 -8.300 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.674 3.236 -9.364 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.161 0.538 -11.202 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.796 3.564 -11.568 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.943 0.883 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.638 1.812 -14.482 1.00 0.00 H new ATOM 204 N ILE A 21 0.124 1.128 -5.934 1.00 0.00 N ATOM 205 CA ILE A 21 0.829 0.148 -5.083 1.00 0.00 C ATOM 206 C ILE A 21 0.204 -1.251 -5.295 1.00 0.00 C ATOM 207 O ILE A 21 -1.013 -1.426 -5.207 1.00 0.00 O ATOM 208 CB ILE A 21 0.984 0.625 -3.648 1.00 0.00 C ATOM 209 CG1 ILE A 21 2.252 1.492 -3.558 1.00 0.00 C ATOM 210 CG2 ILE A 21 1.027 -0.483 -2.575 1.00 0.00 C ATOM 211 CD1 ILE A 21 2.215 2.529 -2.432 1.00 0.00 C ATOM 0 H ILE A 21 -0.883 1.152 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 21 1.870 0.051 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 21 0.080 1.190 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.115 0.842 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.397 2.006 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.140 -0.031 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.101 -1.057 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.871 -1.145 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.143 3.101 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.373 3.204 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.102 2.022 -1.474 1.00 0.00 H new ATOM 213 N ASP A 22 1.063 -2.150 -5.723 1.00 0.00 N ATOM 214 CA ASP A 22 0.785 -3.598 -5.835 1.00 0.00 C ATOM 215 C ASP A 22 1.239 -4.408 -4.651 1.00 0.00 C ATOM 216 O ASP A 22 1.939 -3.927 -3.772 1.00 0.00 O ATOM 217 CB ASP A 22 1.228 -4.171 -7.183 1.00 0.00 C ATOM 218 CG ASP A 22 2.302 -3.389 -7.975 1.00 0.00 C ATOM 219 OD1 ASP A 22 3.475 -3.411 -7.554 1.00 0.00 O ATOM 220 OD2 ASP A 22 1.908 -2.756 -8.983 1.00 0.00 O ATOM 0 H ASP A 22 2.008 -1.904 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.301 -3.691 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.605 -5.180 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.345 -4.263 -7.815 1.00 0.00 H new ATOM 222 N ILE A 23 0.877 -5.685 -4.683 1.00 0.00 N ATOM 223 CA ILE A 23 1.066 -6.604 -3.537 1.00 0.00 C ATOM 224 C ILE A 23 2.447 -6.630 -2.853 1.00 0.00 C ATOM 225 O ILE A 23 2.543 -6.308 -1.674 1.00 0.00 O ATOM 226 CB ILE A 23 0.521 -8.014 -3.887 1.00 0.00 C ATOM 227 CG1 ILE A 23 0.383 -8.927 -2.651 1.00 0.00 C ATOM 228 CG2 ILE A 23 1.324 -8.727 -4.984 1.00 0.00 C ATOM 229 CD1 ILE A 23 -0.816 -8.549 -1.772 1.00 0.00 C ATOM 0 H ILE A 23 0.444 -6.124 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 23 0.467 -6.166 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.477 -7.826 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.278 -9.962 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.296 -8.871 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.886 -9.707 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.300 -8.133 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.357 -8.849 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.867 -9.223 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.700 -7.524 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.734 -8.632 -2.354 1.00 0.00 H new ATOM 231 N GLU A 24 3.501 -6.719 -3.655 1.00 0.00 N ATOM 232 CA GLU A 24 4.908 -6.671 -3.199 1.00 0.00 C ATOM 233 C GLU A 24 5.351 -5.372 -2.496 1.00 0.00 C ATOM 234 O GLU A 24 6.022 -5.362 -1.470 1.00 0.00 O ATOM 235 CB GLU A 24 5.890 -7.042 -4.344 1.00 0.00 C ATOM 236 CG GLU A 24 5.994 -6.099 -5.561 1.00 0.00 C ATOM 237 CD GLU A 24 4.790 -6.151 -6.513 1.00 0.00 C ATOM 238 OE1 GLU A 24 3.747 -5.597 -6.127 1.00 0.00 O ATOM 239 OE2 GLU A 24 4.904 -6.821 -7.565 1.00 0.00 O ATOM 0 H GLU A 24 3.412 -6.829 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 24 4.950 -7.429 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.886 -7.133 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.611 -8.029 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.114 -5.076 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.895 -6.348 -6.121 1.00 0.00 H new ATOM 241 N GLU A 25 4.822 -4.302 -3.062 1.00 0.00 N ATOM 242 CA GLU A 25 4.956 -2.910 -2.624 1.00 0.00 C ATOM 243 C GLU A 25 4.211 -2.625 -1.302 1.00 0.00 C ATOM 244 O GLU A 25 4.775 -2.006 -0.396 1.00 0.00 O ATOM 245 CB GLU A 25 4.380 -2.082 -3.776 1.00 0.00 C ATOM 246 CG GLU A 25 5.296 -2.127 -5.007 1.00 0.00 C ATOM 247 CD GLU A 25 4.806 -1.208 -6.128 1.00 0.00 C ATOM 248 OE1 GLU A 25 3.567 -1.042 -6.190 1.00 0.00 O ATOM 249 OE2 GLU A 25 5.634 -0.786 -6.955 1.00 0.00 O ATOM 0 H GLU A 25 4.245 -4.381 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 25 5.996 -2.664 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.393 -2.460 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.250 -1.049 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.306 -1.836 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.353 -3.150 -5.378 1.00 0.00 H new ATOM 251 N LEU A 26 2.995 -3.153 -1.201 1.00 0.00 N ATOM 252 CA LEU A 26 2.228 -3.159 0.068 1.00 0.00 C ATOM 253 C LEU A 26 2.870 -4.085 1.119 1.00 0.00 C ATOM 254 O LEU A 26 2.849 -3.777 2.304 1.00 0.00 O ATOM 255 CB LEU A 26 0.768 -3.576 -0.158 1.00 0.00 C ATOM 256 CG LEU A 26 -0.053 -3.303 1.103 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.678 -1.907 1.058 1.00 0.00 C ATOM 258 CD2 LEU A 26 -1.130 -4.376 1.308 1.00 0.00 C ATOM 0 H LEU A 26 2.505 -3.589 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 26 2.248 -2.137 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.350 -3.026 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.718 -4.635 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 26 0.626 -3.344 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.257 -1.738 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.110 -1.158 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.334 -1.830 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.697 -4.154 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.803 -4.384 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.656 -5.353 1.407 1.00 0.00 H new ATOM 260 N GLY A 27 3.427 -5.203 0.651 1.00 0.00 N ATOM 261 CA GLY A 27 4.208 -6.151 1.472 1.00 0.00 C ATOM 262 C GLY A 27 5.248 -5.443 2.331 1.00 0.00 C ATOM 263 O GLY A 27 5.107 -5.403 3.547 1.00 0.00 O ATOM 0 H GLY A 27 3.351 -5.487 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.532 -6.716 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.705 -6.870 0.821 1.00 0.00 H new ATOM 265 N GLU A 28 6.088 -4.669 1.664 1.00 0.00 N ATOM 266 CA GLU A 28 7.105 -3.870 2.344 1.00 0.00 C ATOM 267 C GLU A 28 6.621 -2.775 3.324 1.00 0.00 C ATOM 268 O GLU A 28 7.420 -2.256 4.097 1.00 0.00 O ATOM 269 CB GLU A 28 8.060 -3.226 1.318 1.00 0.00 C ATOM 270 CG GLU A 28 8.906 -4.259 0.566 1.00 0.00 C ATOM 271 CD GLU A 28 10.177 -4.658 1.326 1.00 0.00 C ATOM 272 OE1 GLU A 28 10.073 -5.494 2.243 1.00 0.00 O ATOM 273 OE2 GLU A 28 11.247 -4.172 0.898 1.00 0.00 O ATOM 0 H GLU A 28 6.089 -4.574 0.648 1.00 0.00 H new ATOM 0 HA GLU A 28 7.601 -4.606 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.479 -2.647 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.720 -2.527 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.304 -5.149 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.183 -3.855 -0.408 1.00 0.00 H new ATOM 275 N ILE A 29 5.394 -2.290 3.124 1.00 0.00 N ATOM 276 CA ILE A 29 4.661 -1.487 4.133 1.00 0.00 C ATOM 277 C ILE A 29 4.211 -2.431 5.274 1.00 0.00 C ATOM 278 O ILE A 29 4.885 -2.572 6.288 1.00 0.00 O ATOM 279 CB ILE A 29 3.478 -0.707 3.580 1.00 0.00 C ATOM 280 CG1 ILE A 29 3.809 0.060 2.286 1.00 0.00 C ATOM 281 CG2 ILE A 29 2.930 0.281 4.623 1.00 0.00 C ATOM 282 CD1 ILE A 29 2.578 0.479 1.469 1.00 0.00 C ATOM 0 H ILE A 29 4.871 -2.437 2.261 1.00 0.00 H new ATOM 0 HA ILE A 29 5.348 -0.724 4.499 1.00 0.00 H new ATOM 0 HB ILE A 29 2.721 -1.454 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.382 0.951 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.450 -0.563 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.085 0.825 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.603 -0.267 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.713 0.987 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.899 1.013 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.015 -0.408 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.945 1.130 2.072 1.00 0.00 H new ATOM 284 N LEU A 30 3.171 -3.215 4.987 1.00 0.00 N ATOM 285 CA LEU A 30 2.364 -3.934 5.993 1.00 0.00 C ATOM 286 C LEU A 30 2.995 -5.119 6.725 1.00 0.00 C ATOM 287 O LEU A 30 2.650 -5.420 7.866 1.00 0.00 O ATOM 288 CB LEU A 30 1.033 -4.412 5.385 1.00 0.00 C ATOM 289 CG LEU A 30 -0.127 -3.565 5.916 1.00 0.00 C ATOM 290 CD1 LEU A 30 -0.534 -2.522 4.875 1.00 0.00 C ATOM 291 CD2 LEU A 30 -1.315 -4.471 6.235 1.00 0.00 C ATOM 0 H LEU A 30 2.854 -3.376 4.031 1.00 0.00 H new ATOM 0 HA LEU A 30 2.243 -3.167 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.076 -4.342 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.869 -5.461 5.631 1.00 0.00 H new ATOM 0 HG LEU A 30 0.190 -3.051 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.360 -1.925 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.314 -1.872 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.847 -3.024 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.141 -3.868 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.630 -4.991 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.023 -5.201 6.990 1.00 0.00 H new ATOM 388 N LEU B 6 -1.485 -10.434 4.559 1.00 0.00 N ATOM 389 CA LEU B 6 -1.207 -9.434 3.510 1.00 0.00 C ATOM 390 C LEU B 6 -2.205 -9.447 2.338 1.00 0.00 C ATOM 391 O LEU B 6 -2.784 -8.415 2.019 1.00 0.00 O ATOM 392 CB LEU B 6 0.197 -9.762 2.980 1.00 0.00 C ATOM 393 CG LEU B 6 0.739 -8.715 2.016 1.00 0.00 C ATOM 394 CD1 LEU B 6 1.021 -7.398 2.741 1.00 0.00 C ATOM 395 CD2 LEU B 6 2.035 -9.267 1.410 1.00 0.00 C ATOM 0 HA LEU B 6 -1.292 -8.439 3.947 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.882 -9.859 3.822 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.171 -10.729 2.478 1.00 0.00 H new ATOM 0 HG LEU B 6 0.003 -8.511 1.238 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.407 -6.667 2.031 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.099 -7.022 3.184 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.758 -7.565 3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.450 -8.539 0.713 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.755 -9.459 2.205 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.822 -10.196 0.881 1.00 0.00 H new ATOM 397 N ALA B 7 -2.455 -10.643 1.811 1.00 0.00 N ATOM 398 CA ALA B 7 -3.335 -10.887 0.653 1.00 0.00 C ATOM 399 C ALA B 7 -4.723 -10.262 0.871 1.00 0.00 C ATOM 400 O ALA B 7 -5.094 -9.265 0.234 1.00 0.00 O ATOM 401 CB ALA B 7 -3.424 -12.386 0.386 1.00 0.00 C ATOM 0 H ALA B 7 -2.043 -11.499 2.183 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.909 -10.406 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -4.075 -12.565 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -2.429 -12.777 0.174 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -3.832 -12.888 1.263 1.00 0.00 H new ATOM 403 N ASN B 8 -5.400 -10.763 1.899 1.00 0.00 N ATOM 404 CA ASN B 8 -6.618 -10.197 2.488 1.00 0.00 C ATOM 405 C ASN B 8 -6.608 -8.694 2.757 1.00 0.00 C ATOM 406 O ASN B 8 -7.438 -7.978 2.203 1.00 0.00 O ATOM 407 CB ASN B 8 -6.795 -10.976 3.805 1.00 0.00 C ATOM 408 CG ASN B 8 -6.765 -12.499 3.638 1.00 0.00 C ATOM 409 OD1 ASN B 8 -7.767 -13.199 3.617 1.00 0.00 O ATOM 410 ND2 ASN B 8 -5.577 -13.082 3.568 1.00 0.00 N ATOM 0 H ASN B 8 -5.103 -11.617 2.371 1.00 0.00 H new ATOM 0 HA ASN B 8 -7.436 -10.302 1.775 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -6.007 -10.681 4.498 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -7.743 -10.689 4.260 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.511 -14.097 3.498 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -4.729 -12.515 3.584 1.00 0.00 H new ATOM 414 N ALA B 9 -5.585 -8.218 3.481 1.00 0.00 N ATOM 415 CA ALA B 9 -5.392 -6.779 3.756 1.00 0.00 C ATOM 416 C ALA B 9 -5.399 -5.868 2.522 1.00 0.00 C ATOM 417 O ALA B 9 -6.207 -4.941 2.441 1.00 0.00 O ATOM 418 CB ALA B 9 -4.123 -6.579 4.586 1.00 0.00 C ATOM 0 H ALA B 9 -4.868 -8.814 3.893 1.00 0.00 H new ATOM 0 HA ALA B 9 -6.269 -6.464 4.322 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.983 -5.517 4.787 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -4.216 -7.118 5.529 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.264 -6.960 4.034 1.00 0.00 H new ATOM 420 N PHE B 10 -4.757 -6.365 1.475 1.00 0.00 N ATOM 421 CA PHE B 10 -4.700 -5.722 0.153 1.00 0.00 C ATOM 422 C PHE B 10 -6.090 -5.497 -0.429 1.00 0.00 C ATOM 423 O PHE B 10 -6.520 -4.349 -0.567 1.00 0.00 O ATOM 424 CB PHE B 10 -3.899 -6.568 -0.831 1.00 0.00 C ATOM 425 CG PHE B 10 -3.365 -5.795 -2.051 1.00 0.00 C ATOM 426 CD1 PHE B 10 -2.705 -4.553 -1.877 1.00 0.00 C ATOM 427 CD2 PHE B 10 -3.592 -6.314 -3.344 1.00 0.00 C ATOM 428 CE1 PHE B 10 -2.268 -3.824 -3.000 1.00 0.00 C ATOM 429 CE2 PHE B 10 -3.152 -5.590 -4.475 1.00 0.00 C ATOM 430 CZ PHE B 10 -2.498 -4.351 -4.288 1.00 0.00 C ATOM 0 H PHE B 10 -4.246 -7.247 1.513 1.00 0.00 H new ATOM 0 HA PHE B 10 -4.214 -4.758 0.300 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -3.057 -7.016 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -4.527 -7.387 -1.182 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -2.537 -4.165 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -4.099 -7.259 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE B 10 -1.765 -2.876 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE B 10 -3.313 -5.978 -5.470 1.00 0.00 H new ATOM 0 HZ PHE B 10 -2.166 -3.794 -5.152 1.00 0.00 H new ATOM 432 N ARG B 11 -6.854 -6.568 -0.375 1.00 0.00 N ATOM 433 CA ARG B 11 -8.234 -6.629 -0.852 1.00 0.00 C ATOM 434 C ARG B 11 -9.291 -5.895 -0.029 1.00 0.00 C ATOM 435 O ARG B 11 -10.359 -5.540 -0.511 1.00 0.00 O ATOM 436 CB ARG B 11 -8.639 -8.091 -1.088 1.00 0.00 C ATOM 437 CG ARG B 11 -8.416 -8.516 -2.542 1.00 0.00 C ATOM 438 CD ARG B 11 -6.975 -8.453 -3.077 1.00 0.00 C ATOM 439 NE ARG B 11 -6.116 -9.467 -2.442 1.00 0.00 N ATOM 440 CZ ARG B 11 -5.882 -10.708 -2.874 1.00 0.00 C ATOM 441 NH1 ARG B 11 -6.514 -11.214 -3.922 1.00 0.00 N ATOM 442 NH2 ARG B 11 -4.783 -11.326 -2.479 1.00 0.00 N ATOM 0 H ARG B 11 -6.528 -7.453 0.014 1.00 0.00 H new ATOM 0 HA ARG B 11 -8.219 -6.065 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -8.063 -8.739 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -9.689 -8.224 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.774 -9.539 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.041 -7.888 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.980 -8.604 -4.156 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.562 -7.461 -2.896 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.649 -9.191 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.202 -10.652 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.313 -12.166 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.129 -10.854 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.588 -12.275 -2.799 1.00 0.00 H new ATOM 449 N ILE B 12 -8.951 -5.725 1.251 1.00 0.00 N ATOM 450 CA ILE B 12 -9.711 -4.889 2.189 1.00 0.00 C ATOM 451 C ILE B 12 -9.578 -3.381 1.871 1.00 0.00 C ATOM 452 O ILE B 12 -10.552 -2.644 1.764 1.00 0.00 O ATOM 453 CB ILE B 12 -9.391 -5.222 3.654 1.00 0.00 C ATOM 454 CG1 ILE B 12 -9.791 -6.652 4.063 1.00 0.00 C ATOM 455 CG2 ILE B 12 -9.875 -4.217 4.715 1.00 0.00 C ATOM 456 CD1 ILE B 12 -11.272 -7.012 3.890 1.00 0.00 C ATOM 0 H ILE B 12 -8.133 -6.167 1.671 1.00 0.00 H new ATOM 0 HA ILE B 12 -10.764 -5.134 2.047 1.00 0.00 H new ATOM 0 HB ILE B 12 -8.304 -5.140 3.653 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -9.196 -7.355 3.480 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -9.522 -6.798 5.109 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -9.587 -4.567 5.706 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -9.421 -3.244 4.528 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.960 -4.128 4.663 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -11.436 -8.041 4.209 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -11.882 -6.343 4.496 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -11.552 -6.908 2.842 1.00 0.00 H new ATOM 458 N PHE B 13 -8.323 -2.995 1.760 1.00 0.00 N ATOM 459 CA PHE B 13 -7.855 -1.628 1.469 1.00 0.00 C ATOM 460 C PHE B 13 -8.106 -1.149 0.025 1.00 0.00 C ATOM 461 O PHE B 13 -8.337 0.037 -0.219 1.00 0.00 O ATOM 462 CB PHE B 13 -6.380 -1.627 1.823 1.00 0.00 C ATOM 463 CG PHE B 13 -6.058 -1.621 3.339 1.00 0.00 C ATOM 464 CD1 PHE B 13 -6.841 -0.878 4.252 1.00 0.00 C ATOM 465 CD2 PHE B 13 -5.032 -2.483 3.799 1.00 0.00 C ATOM 466 CE1 PHE B 13 -6.623 -1.028 5.641 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.811 -2.638 5.180 1.00 0.00 C ATOM 468 CZ PHE B 13 -5.618 -1.913 6.088 1.00 0.00 C ATOM 0 H PHE B 13 -7.550 -3.651 1.874 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.428 -0.911 2.057 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -5.916 -2.505 1.374 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -5.915 -0.753 1.367 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.601 -0.200 3.891 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.420 -3.021 3.090 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.218 -0.473 6.351 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -4.038 -3.300 5.541 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.461 -2.040 7.149 1.00 0.00 H new ATOM 470 N ASP B 14 -7.979 -2.077 -0.916 1.00 0.00 N ATOM 471 CA ASP B 14 -8.317 -1.946 -2.348 1.00 0.00 C ATOM 472 C ASP B 14 -9.833 -2.127 -2.551 1.00 0.00 C ATOM 473 O ASP B 14 -10.322 -3.062 -3.184 1.00 0.00 O ATOM 474 CB ASP B 14 -7.523 -2.963 -3.178 1.00 0.00 C ATOM 475 CG ASP B 14 -7.834 -2.957 -4.687 1.00 0.00 C ATOM 476 OD1 ASP B 14 -8.550 -2.047 -5.167 1.00 0.00 O ATOM 477 OD2 ASP B 14 -7.451 -3.944 -5.351 1.00 0.00 O ATOM 0 H ASP B 14 -7.615 -3.004 -0.696 1.00 0.00 H new ATOM 0 HA ASP B 14 -8.044 -0.947 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -6.459 -2.770 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -7.719 -3.961 -2.786 1.00 0.00 H new ATOM 479 N LYS B 15 -10.519 -1.126 -2.027 1.00 0.00 N ATOM 480 CA LYS B 15 -11.989 -0.970 -2.128 1.00 0.00 C ATOM 481 C LYS B 15 -12.546 -1.251 -3.534 1.00 0.00 C ATOM 482 O LYS B 15 -13.373 -2.148 -3.706 1.00 0.00 O ATOM 483 CB LYS B 15 -12.451 0.433 -1.725 1.00 0.00 C ATOM 484 CG LYS B 15 -12.193 0.788 -0.260 1.00 0.00 C ATOM 485 CD LYS B 15 -11.136 1.883 -0.179 1.00 0.00 C ATOM 486 CE LYS B 15 -11.013 2.465 1.231 1.00 0.00 C ATOM 487 NZ LYS B 15 -10.474 1.474 2.176 1.00 0.00 N ATOM 0 H LYS B 15 -10.073 -0.372 -1.504 1.00 0.00 H new ATOM 0 HA LYS B 15 -12.379 -1.716 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -11.947 1.164 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -13.519 0.522 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -13.116 1.124 0.212 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -11.859 -0.095 0.286 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -10.172 1.479 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -11.387 2.680 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -10.364 3.340 1.210 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -11.991 2.802 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -10.165 1.955 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -11.212 0.779 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -9.663 0.987 1.743 1.00 0.00 H new ATOM 492 N ASN B 16 -12.018 -0.547 -4.523 1.00 0.00 N ATOM 493 CA ASN B 16 -12.518 -0.549 -5.909 1.00 0.00 C ATOM 494 C ASN B 16 -12.003 -1.671 -6.846 1.00 0.00 C ATOM 495 O ASN B 16 -12.028 -1.527 -8.066 1.00 0.00 O ATOM 496 CB ASN B 16 -12.289 0.859 -6.473 1.00 0.00 C ATOM 497 CG ASN B 16 -10.847 1.379 -6.484 1.00 0.00 C ATOM 498 OD1 ASN B 16 -10.000 1.003 -5.683 1.00 0.00 O ATOM 499 ND2 ASN B 16 -10.572 2.312 -7.354 1.00 0.00 N ATOM 0 H ASN B 16 -11.209 0.060 -4.391 1.00 0.00 H new ATOM 0 HA ASN B 16 -13.578 -0.801 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -12.664 0.879 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -12.896 1.557 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -9.644 2.736 -7.371 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -11.285 2.618 -8.017 1.00 0.00 H new ATOM 503 N ALA B 17 -11.427 -2.718 -6.246 1.00 0.00 N ATOM 504 CA ALA B 17 -11.114 -4.019 -6.894 1.00 0.00 C ATOM 505 C ALA B 17 -10.334 -3.929 -8.224 1.00 0.00 C ATOM 506 O ALA B 17 -10.444 -4.751 -9.128 1.00 0.00 O ATOM 507 CB ALA B 17 -12.395 -4.845 -7.033 1.00 0.00 C ATOM 0 H ALA B 17 -11.153 -2.694 -5.264 1.00 0.00 H new ATOM 0 HA ALA B 17 -10.415 -4.526 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -12.163 -5.798 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -12.820 -5.026 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -13.115 -4.300 -7.644 1.00 0.00 H new ATOM 509 N ASP B 18 -9.356 -3.030 -8.194 1.00 0.00 N ATOM 510 CA ASP B 18 -8.475 -2.731 -9.337 1.00 0.00 C ATOM 511 C ASP B 18 -7.099 -3.439 -9.289 1.00 0.00 C ATOM 512 O ASP B 18 -6.240 -3.180 -10.124 1.00 0.00 O ATOM 513 CB ASP B 18 -8.329 -1.198 -9.440 1.00 0.00 C ATOM 514 CG ASP B 18 -7.776 -0.511 -8.190 1.00 0.00 C ATOM 515 OD1 ASP B 18 -7.178 -1.236 -7.368 1.00 0.00 O ATOM 516 OD2 ASP B 18 -8.006 0.707 -8.035 1.00 0.00 O ATOM 0 H ASP B 18 -9.143 -2.475 -7.365 1.00 0.00 H new ATOM 0 HA ASP B 18 -8.943 -3.135 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.675 -0.967 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -9.305 -0.771 -9.668 1.00 0.00 H new ATOM 518 N GLY B 19 -6.915 -4.279 -8.268 1.00 0.00 N ATOM 519 CA GLY B 19 -5.646 -4.959 -7.936 1.00 0.00 C ATOM 520 C GLY B 19 -4.515 -4.005 -7.510 1.00 0.00 C ATOM 521 O GLY B 19 -3.342 -4.361 -7.578 1.00 0.00 O ATOM 0 H GLY B 19 -7.668 -4.518 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -5.828 -5.672 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -5.316 -5.533 -8.802 1.00 0.00 H new ATOM 523 N TYR B 20 -4.909 -2.833 -7.029 1.00 0.00 N ATOM 524 CA TYR B 20 -3.983 -1.738 -6.648 1.00 0.00 C ATOM 525 C TYR B 20 -4.405 -1.075 -5.324 1.00 0.00 C ATOM 526 O TYR B 20 -5.422 -1.407 -4.731 1.00 0.00 O ATOM 527 CB TYR B 20 -4.023 -0.614 -7.694 1.00 0.00 C ATOM 528 CG TYR B 20 -3.957 -1.003 -9.177 1.00 0.00 C ATOM 529 CD1 TYR B 20 -2.914 -1.834 -9.635 1.00 0.00 C ATOM 530 CD2 TYR B 20 -4.826 -0.344 -10.057 1.00 0.00 C ATOM 531 CE1 TYR B 20 -2.710 -1.978 -11.025 1.00 0.00 C ATOM 532 CE2 TYR B 20 -4.634 -0.494 -11.447 1.00 0.00 C ATOM 533 CZ TYR B 20 -3.568 -1.290 -11.912 1.00 0.00 C ATOM 534 OH TYR B 20 -3.213 -1.217 -13.224 1.00 0.00 O ATOM 0 H TYR B 20 -5.891 -2.598 -6.885 1.00 0.00 H new ATOM 0 HA TYR B 20 -2.995 -2.192 -6.565 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -4.941 -0.047 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR B 20 -3.192 0.061 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR B 20 -2.280 -2.353 -8.932 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -5.630 0.269 -9.677 1.00 0.00 H new ATOM 0 HE1 TYR B 20 -1.914 -2.602 -11.403 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -5.296 -0.005 -12.146 1.00 0.00 H new ATOM 0 HH TYR B 20 -2.594 -0.469 -13.354 1.00 0.00 H new ATOM 537 N ILE B 21 -3.515 -0.219 -4.861 1.00 0.00 N ATOM 538 CA ILE B 21 -3.781 0.812 -3.828 1.00 0.00 C ATOM 539 C ILE B 21 -3.280 2.171 -4.349 1.00 0.00 C ATOM 540 O ILE B 21 -2.186 2.261 -4.917 1.00 0.00 O ATOM 541 CB ILE B 21 -3.215 0.339 -2.488 1.00 0.00 C ATOM 542 CG1 ILE B 21 -4.370 -0.137 -1.603 1.00 0.00 C ATOM 543 CG2 ILE B 21 -2.315 1.333 -1.716 1.00 0.00 C ATOM 544 CD1 ILE B 21 -3.958 -1.308 -0.719 1.00 0.00 C ATOM 0 H ILE B 21 -2.550 -0.206 -5.192 1.00 0.00 H new ATOM 0 HA ILE B 21 -4.844 0.959 -3.635 1.00 0.00 H new ATOM 0 HB ILE B 21 -2.530 -0.470 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -4.713 0.687 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -5.211 -0.433 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -1.981 0.874 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -1.449 1.589 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -2.881 2.237 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -4.805 -1.617 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -3.640 -2.142 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -3.134 -1.004 -0.073 1.00 0.00 H new ATOM 546 N ASP B 22 -4.112 3.191 -4.199 1.00 0.00 N ATOM 547 CA ASP B 22 -3.704 4.579 -4.444 1.00 0.00 C ATOM 548 C ASP B 22 -3.731 5.457 -3.195 1.00 0.00 C ATOM 549 O ASP B 22 -4.278 5.083 -2.166 1.00 0.00 O ATOM 550 CB ASP B 22 -4.389 5.261 -5.628 1.00 0.00 C ATOM 551 CG ASP B 22 -5.698 4.677 -6.163 1.00 0.00 C ATOM 552 OD1 ASP B 22 -5.600 3.790 -7.041 1.00 0.00 O ATOM 553 OD2 ASP B 22 -6.749 5.216 -5.767 1.00 0.00 O ATOM 0 H ASP B 22 -5.084 3.088 -3.906 1.00 0.00 H new ATOM 0 HA ASP B 22 -2.660 4.473 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -4.581 6.296 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -3.677 5.283 -6.453 1.00 0.00 H new ATOM 555 N ILE B 23 -3.225 6.670 -3.372 1.00 0.00 N ATOM 556 CA ILE B 23 -2.945 7.649 -2.288 1.00 0.00 C ATOM 557 C ILE B 23 -3.993 7.831 -1.170 1.00 0.00 C ATOM 558 O ILE B 23 -3.599 7.948 -0.015 1.00 0.00 O ATOM 559 CB ILE B 23 -2.442 8.966 -2.916 1.00 0.00 C ATOM 560 CG1 ILE B 23 -1.797 9.913 -1.893 1.00 0.00 C ATOM 561 CG2 ILE B 23 -3.512 9.691 -3.732 1.00 0.00 C ATOM 562 CD1 ILE B 23 -0.424 9.428 -1.412 1.00 0.00 C ATOM 0 H ILE B 23 -2.985 7.027 -4.297 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.157 7.193 -1.689 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.660 8.660 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.692 10.903 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.460 10.018 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.094 10.609 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.849 9.047 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.357 9.935 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -0.019 10.138 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -0.528 8.451 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE B 23 0.253 9.349 -2.263 1.00 0.00 H new ATOM 564 N GLU B 24 -5.290 7.735 -1.470 1.00 0.00 N ATOM 565 CA GLU B 24 -6.335 7.774 -0.435 1.00 0.00 C ATOM 566 C GLU B 24 -6.517 6.527 0.441 1.00 0.00 C ATOM 567 O GLU B 24 -6.473 6.588 1.677 1.00 0.00 O ATOM 568 CB GLU B 24 -7.701 8.332 -0.918 1.00 0.00 C ATOM 569 CG GLU B 24 -8.155 7.988 -2.339 1.00 0.00 C ATOM 570 CD GLU B 24 -8.235 6.484 -2.626 1.00 0.00 C ATOM 571 OE1 GLU B 24 -9.274 5.891 -2.302 1.00 0.00 O ATOM 572 OE2 GLU B 24 -7.191 5.953 -3.055 1.00 0.00 O ATOM 0 H GLU B 24 -5.646 7.630 -2.420 1.00 0.00 H new ATOM 0 HA GLU B 24 -5.895 8.506 0.242 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.468 7.981 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.668 9.418 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.135 8.432 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -7.467 8.446 -3.049 1.00 0.00 H new ATOM 574 N GLU B 25 -6.492 5.399 -0.246 1.00 0.00 N ATOM 575 CA GLU B 25 -6.413 4.025 0.270 1.00 0.00 C ATOM 576 C GLU B 25 -5.146 3.846 1.131 1.00 0.00 C ATOM 577 O GLU B 25 -5.230 3.556 2.318 1.00 0.00 O ATOM 578 CB GLU B 25 -6.375 3.138 -0.983 1.00 0.00 C ATOM 579 CG GLU B 25 -7.756 3.084 -1.632 1.00 0.00 C ATOM 580 CD GLU B 25 -7.752 2.269 -2.922 1.00 0.00 C ATOM 581 OE1 GLU B 25 -6.959 2.672 -3.807 1.00 0.00 O ATOM 582 OE2 GLU B 25 -8.528 1.292 -2.995 1.00 0.00 O ATOM 0 H GLU B 25 -6.529 5.411 -1.265 1.00 0.00 H new ATOM 0 HA GLU B 25 -7.253 3.769 0.915 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -5.646 3.530 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -6.051 2.132 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -8.469 2.649 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -8.096 4.097 -1.845 1.00 0.00 H new ATOM 584 N LEU B 26 -4.038 4.347 0.574 1.00 0.00 N ATOM 585 CA LEU B 26 -2.706 4.384 1.197 1.00 0.00 C ATOM 586 C LEU B 26 -2.644 5.349 2.391 1.00 0.00 C ATOM 587 O LEU B 26 -2.022 5.026 3.400 1.00 0.00 O ATOM 588 CB LEU B 26 -1.737 4.749 0.066 1.00 0.00 C ATOM 589 CG LEU B 26 -0.246 4.496 0.298 1.00 0.00 C ATOM 590 CD1 LEU B 26 0.434 5.651 1.044 1.00 0.00 C ATOM 591 CD2 LEU B 26 0.068 3.110 0.883 1.00 0.00 C ATOM 0 H LEU B 26 -4.043 4.755 -0.361 1.00 0.00 H new ATOM 0 HA LEU B 26 -2.439 3.423 1.636 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.037 4.196 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.867 5.808 -0.158 1.00 0.00 H new ATOM 0 HG LEU B 26 0.207 4.473 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU B 26 1.491 5.422 1.183 1.00 0.00 H new ATOM 0 HD12 LEU B 26 0.335 6.568 0.463 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.040 5.785 2.017 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.145 3.008 1.018 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.431 3.000 1.846 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.287 2.338 0.200 1.00 0.00 H new ATOM 593 N GLY B 27 -3.318 6.491 2.271 1.00 0.00 N ATOM 594 CA GLY B 27 -3.563 7.465 3.352 1.00 0.00 C ATOM 595 C GLY B 27 -4.168 6.781 4.577 1.00 0.00 C ATOM 596 O GLY B 27 -3.462 6.562 5.554 1.00 0.00 O ATOM 0 H GLY B 27 -3.729 6.782 1.384 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -2.627 7.951 3.627 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -4.236 8.246 2.997 1.00 0.00 H new ATOM 598 N GLU B 28 -5.351 6.228 4.358 1.00 0.00 N ATOM 599 CA GLU B 28 -6.106 5.424 5.353 1.00 0.00 C ATOM 600 C GLU B 28 -5.273 4.340 6.060 1.00 0.00 C ATOM 601 O GLU B 28 -5.522 4.051 7.217 1.00 0.00 O ATOM 602 CB GLU B 28 -7.269 4.711 4.671 1.00 0.00 C ATOM 603 CG GLU B 28 -8.404 5.636 4.264 1.00 0.00 C ATOM 604 CD GLU B 28 -9.401 4.836 3.435 1.00 0.00 C ATOM 605 OE1 GLU B 28 -9.982 3.880 4.001 1.00 0.00 O ATOM 606 OE2 GLU B 28 -9.527 5.179 2.244 1.00 0.00 O ATOM 0 H GLU B 28 -5.839 6.318 3.467 1.00 0.00 H new ATOM 0 HA GLU B 28 -6.433 6.144 6.103 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -6.898 4.196 3.785 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.659 3.947 5.344 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.891 6.051 5.147 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -8.020 6.477 3.687 1.00 0.00 H new ATOM 608 N ILE B 29 -4.417 3.652 5.291 1.00 0.00 N ATOM 609 CA ILE B 29 -3.450 2.695 5.859 1.00 0.00 C ATOM 610 C ILE B 29 -2.432 3.487 6.712 1.00 0.00 C ATOM 611 O ILE B 29 -2.592 3.620 7.917 1.00 0.00 O ATOM 612 CB ILE B 29 -2.771 1.785 4.841 1.00 0.00 C ATOM 613 CG1 ILE B 29 -3.753 1.182 3.827 1.00 0.00 C ATOM 614 CG2 ILE B 29 -2.058 0.644 5.586 1.00 0.00 C ATOM 615 CD1 ILE B 29 -3.080 0.647 2.561 1.00 0.00 C ATOM 0 H ILE B 29 -4.373 3.738 4.276 1.00 0.00 H new ATOM 0 HA ILE B 29 -4.006 1.994 6.481 1.00 0.00 H new ATOM 0 HB ILE B 29 -2.064 2.397 4.282 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.303 0.372 4.305 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -4.483 1.941 3.546 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -1.570 -0.012 4.865 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -1.311 1.061 6.261 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -2.787 0.073 6.160 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.837 0.237 1.892 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -2.553 1.458 2.059 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -2.370 -0.136 2.829 1.00 0.00 H new ATOM 617 N LEU B 30 -1.548 4.229 6.030 1.00 0.00 N ATOM 618 CA LEU B 30 -0.365 4.851 6.644 1.00 0.00 C ATOM 619 C LEU B 30 -0.559 5.875 7.765 1.00 0.00 C ATOM 620 O LEU B 30 0.190 5.891 8.742 1.00 0.00 O ATOM 621 CB LEU B 30 0.563 5.442 5.574 1.00 0.00 C ATOM 622 CG LEU B 30 1.770 4.549 5.295 1.00 0.00 C ATOM 623 CD1 LEU B 30 2.475 4.996 4.021 1.00 0.00 C ATOM 624 CD2 LEU B 30 2.757 4.570 6.471 1.00 0.00 C ATOM 0 H LEU B 30 -1.634 4.416 5.031 1.00 0.00 H new ATOM 0 HA LEU B 30 0.076 3.998 7.160 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.002 5.589 4.651 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.908 6.424 5.898 1.00 0.00 H new ATOM 0 HG LEU B 30 1.409 3.528 5.167 1.00 0.00 H new ATOM 0 HD11 LEU B 30 3.333 4.351 3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 30 1.784 4.932 3.181 1.00 0.00 H new ATOM 0 HD13 LEU B 30 2.813 6.026 4.135 1.00 0.00 H new ATOM 0 HD21 LEU B 30 3.606 3.925 6.245 1.00 0.00 H new ATOM 0 HD22 LEU B 30 3.108 5.589 6.633 1.00 0.00 H new ATOM 0 HD23 LEU B 30 2.258 4.210 7.371 1.00 0.00 H new