USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.51 K(o=0.51,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 1.05 (180deg=0.867) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.955 K(o=0.96,f=-1.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 34 MET CE :methyl 177:sc= -0.102 (180deg=-0.114) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.841 K(o=0.84,f=-6.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -140:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.0469 (180deg=-0.312) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 121:sc= 0.0903 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.591 5.119 4.321 1.00 0.00 N ATOM 41 CA ALA A 3 10.864 3.887 4.563 1.00 0.00 C ATOM 42 C ALA A 3 11.253 3.264 5.888 1.00 0.00 C ATOM 43 O ALA A 3 10.795 2.149 6.106 1.00 0.00 O ATOM 44 CB ALA A 3 11.038 2.840 3.452 1.00 0.00 C ATOM 0 HA ALA A 3 9.814 4.180 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.466 1.946 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.679 3.249 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.093 2.581 3.358 1.00 0.00 H new ATOM 50 N SER A 4 12.139 3.843 6.716 1.00 0.00 N ATOM 51 CA SER A 4 12.443 3.212 8.002 1.00 0.00 C ATOM 52 C SER A 4 11.160 2.781 8.715 1.00 0.00 C ATOM 53 O SER A 4 11.138 1.651 9.176 1.00 0.00 O ATOM 54 CB SER A 4 13.321 4.061 8.926 1.00 0.00 C ATOM 55 OG SER A 4 14.698 3.802 8.723 1.00 0.00 O ATOM 0 H SER A 4 12.638 4.712 6.526 1.00 0.00 H new ATOM 0 HA SER A 4 13.036 2.330 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.120 5.118 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.061 3.856 9.965 1.00 0.00 H new ATOM 0 HG SER A 4 15.229 4.362 9.327 1.00 0.00 H new ATOM 61 N GLU A 5 10.094 3.583 8.664 1.00 0.00 N ATOM 62 CA GLU A 5 8.749 3.253 9.152 1.00 0.00 C ATOM 63 C GLU A 5 8.218 1.926 8.592 1.00 0.00 C ATOM 64 O GLU A 5 7.921 0.979 9.305 1.00 0.00 O ATOM 65 CB GLU A 5 7.783 4.420 8.842 1.00 0.00 C ATOM 66 CG GLU A 5 7.734 4.857 7.357 1.00 0.00 C ATOM 67 CD GLU A 5 6.976 6.160 7.115 1.00 0.00 C ATOM 68 OE1 GLU A 5 7.602 7.249 7.117 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.762 6.076 6.819 1.00 0.00 O ATOM 0 H GLU A 5 10.145 4.520 8.265 1.00 0.00 H new ATOM 0 HA GLU A 5 8.815 3.115 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.779 4.132 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.070 5.279 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.754 4.969 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.268 4.064 6.771 1.00 0.00 H new ATOM 76 N LEU A 6 8.092 1.852 7.277 1.00 0.00 N ATOM 77 CA LEU A 6 7.463 0.766 6.550 1.00 0.00 C ATOM 78 C LEU A 6 8.331 -0.462 6.624 1.00 0.00 C ATOM 79 O LEU A 6 7.841 -1.541 6.917 1.00 0.00 O ATOM 80 CB LEU A 6 7.263 1.263 5.100 1.00 0.00 C ATOM 81 CG LEU A 6 5.849 1.845 4.922 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.806 2.717 3.665 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.790 0.749 4.831 1.00 0.00 C ATOM 0 H LEU A 6 8.443 2.584 6.660 1.00 0.00 H new ATOM 0 HA LEU A 6 6.499 0.487 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.008 2.022 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.415 0.439 4.402 1.00 0.00 H new ATOM 0 HG LEU A 6 5.623 2.449 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.804 3.128 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.523 3.532 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.061 2.113 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.807 1.203 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.004 0.106 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.802 0.155 5.745 1.00 0.00 H new ATOM 95 N ARG A 7 9.625 -0.323 6.379 1.00 0.00 N ATOM 96 CA ARG A 7 10.583 -1.408 6.455 1.00 0.00 C ATOM 97 C ARG A 7 10.733 -1.915 7.889 1.00 0.00 C ATOM 98 O ARG A 7 11.300 -2.986 8.090 1.00 0.00 O ATOM 99 CB ARG A 7 11.909 -0.873 5.899 1.00 0.00 C ATOM 100 CG ARG A 7 12.872 -1.998 5.513 1.00 0.00 C ATOM 101 CD ARG A 7 14.028 -2.157 6.507 1.00 0.00 C ATOM 102 NE ARG A 7 14.387 -3.563 6.747 1.00 0.00 N ATOM 103 CZ ARG A 7 15.553 -3.964 7.259 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.648 -3.242 7.077 1.00 0.00 N ATOM 105 NH2 ARG A 7 15.606 -5.029 8.033 1.00 0.00 N ATOM 0 H ARG A 7 10.045 0.569 6.116 1.00 0.00 H new ATOM 0 HA ARG A 7 10.246 -2.264 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.710 -0.252 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.381 -0.233 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.321 -2.936 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.277 -1.799 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.901 -1.624 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.754 -1.691 7.453 1.00 0.00 H new ATOM 0 HE ARG A 7 13.701 -4.278 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.604 -2.374 6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.536 -3.554 7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.755 -5.550 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.499 -5.333 8.422 1.00 0.00 H new ATOM 119 N ASN A 8 10.266 -1.139 8.865 1.00 0.00 N ATOM 120 CA ASN A 8 10.445 -1.472 10.286 1.00 0.00 C ATOM 121 C ASN A 8 9.549 -2.617 10.737 1.00 0.00 C ATOM 122 O ASN A 8 9.821 -3.189 11.799 1.00 0.00 O ATOM 123 CB ASN A 8 10.168 -0.296 11.251 1.00 0.00 C ATOM 124 CG ASN A 8 11.374 0.147 12.067 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.508 0.199 11.589 1.00 0.00 O ATOM 126 ND2 ASN A 8 11.148 0.552 13.300 1.00 0.00 N ATOM 0 H ASN A 8 9.758 -0.270 8.701 1.00 0.00 H new ATOM 0 HA ASN A 8 11.498 -1.750 10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.804 0.554 10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.369 -0.583 11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.915 0.912 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.206 0.505 13.688 1.00 0.00 H new ATOM 133 N TYR A 9 8.465 -2.932 10.017 1.00 0.00 N ATOM 134 CA TYR A 9 7.572 -3.981 10.410 1.00 0.00 C ATOM 135 C TYR A 9 8.300 -5.324 10.332 1.00 0.00 C ATOM 136 O TYR A 9 9.387 -5.423 9.746 1.00 0.00 O ATOM 137 CB TYR A 9 6.250 -3.772 9.658 1.00 0.00 C ATOM 138 CG TYR A 9 5.569 -2.475 10.037 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.273 -2.184 11.381 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.327 -1.515 9.036 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.751 -0.925 11.724 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.793 -0.259 9.369 1.00 0.00 C ATOM 143 CZ TYR A 9 4.508 0.042 10.719 1.00 0.00 C ATOM 144 OH TYR A 9 3.991 1.254 11.059 1.00 0.00 O ATOM 0 H TYR A 9 8.200 -2.458 9.153 1.00 0.00 H new ATOM 0 HA TYR A 9 7.266 -3.969 11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.441 -3.779 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.580 -4.606 9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.446 -2.926 12.147 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.553 -1.746 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.535 -0.695 12.757 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.602 0.472 8.597 1.00 0.00 H new ATOM 0 HH TYR A 9 3.886 1.802 10.254 1.00 0.00 H new ATOM 154 N THR A 10 7.769 -6.335 11.010 1.00 0.00 N ATOM 155 CA THR A 10 8.318 -7.680 10.932 1.00 0.00 C ATOM 156 C THR A 10 7.806 -8.337 9.656 1.00 0.00 C ATOM 157 O THR A 10 6.796 -7.886 9.141 1.00 0.00 O ATOM 158 CB THR A 10 7.888 -8.480 12.154 1.00 0.00 C ATOM 159 OG1 THR A 10 6.482 -8.494 12.338 1.00 0.00 O ATOM 160 CG2 THR A 10 8.506 -7.969 13.450 1.00 0.00 C ATOM 0 H THR A 10 6.957 -6.246 11.621 1.00 0.00 H new ATOM 0 HA THR A 10 9.407 -7.645 10.911 1.00 0.00 H new ATOM 0 HB THR A 10 8.247 -9.487 11.944 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.261 -9.022 13.134 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.161 -8.580 14.284 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.592 -8.027 13.383 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.208 -6.933 13.612 1.00 0.00 H new ATOM 168 N ASP A 11 8.432 -9.396 9.137 1.00 0.00 N ATOM 169 CA ASP A 11 8.097 -9.953 7.816 1.00 0.00 C ATOM 170 C ASP A 11 6.608 -10.265 7.680 1.00 0.00 C ATOM 171 O ASP A 11 6.030 -10.041 6.618 1.00 0.00 O ATOM 172 CB ASP A 11 8.957 -11.183 7.506 1.00 0.00 C ATOM 173 CG ASP A 11 10.328 -10.766 6.994 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.035 -9.984 7.666 1.00 0.00 O ATOM 175 OD2 ASP A 11 10.739 -11.209 5.901 1.00 0.00 O ATOM 0 H ASP A 11 9.183 -9.893 9.615 1.00 0.00 H new ATOM 0 HA ASP A 11 8.324 -9.186 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.068 -11.791 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.458 -11.803 6.761 1.00 0.00 H new ATOM 180 N GLU A 12 5.985 -10.712 8.765 1.00 0.00 N ATOM 181 CA GLU A 12 4.559 -10.949 8.881 1.00 0.00 C ATOM 182 C GLU A 12 3.752 -9.646 8.862 1.00 0.00 C ATOM 183 O GLU A 12 2.811 -9.503 8.090 1.00 0.00 O ATOM 184 CB GLU A 12 4.329 -11.723 10.181 1.00 0.00 C ATOM 185 CG GLU A 12 2.892 -12.258 10.273 1.00 0.00 C ATOM 186 CD GLU A 12 2.135 -11.672 11.462 1.00 0.00 C ATOM 187 OE1 GLU A 12 2.638 -11.821 12.599 1.00 0.00 O ATOM 188 OE2 GLU A 12 1.038 -11.110 11.257 1.00 0.00 O ATOM 0 H GLU A 12 6.488 -10.928 9.626 1.00 0.00 H new ATOM 0 HA GLU A 12 4.212 -11.524 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.032 -12.554 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.531 -11.074 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.358 -12.022 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.915 -13.344 10.359 1.00 0.00 H new ATOM 195 N GLU A 13 4.107 -8.677 9.696 1.00 0.00 N ATOM 196 CA GLU A 13 3.404 -7.399 9.726 1.00 0.00 C ATOM 197 C GLU A 13 3.538 -6.649 8.413 1.00 0.00 C ATOM 198 O GLU A 13 2.582 -6.056 7.938 1.00 0.00 O ATOM 199 CB GLU A 13 3.930 -6.547 10.879 1.00 0.00 C ATOM 200 CG GLU A 13 3.219 -6.962 12.167 1.00 0.00 C ATOM 201 CD GLU A 13 1.744 -6.516 12.241 1.00 0.00 C ATOM 202 OE1 GLU A 13 0.865 -7.147 11.603 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.468 -5.536 12.973 1.00 0.00 O ATOM 0 H GLU A 13 4.877 -8.751 10.361 1.00 0.00 H new ATOM 0 HA GLU A 13 2.344 -7.603 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.007 -6.679 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.756 -5.490 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.265 -8.047 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.757 -6.544 13.018 1.00 0.00 H new ATOM 210 N LEU A 14 4.711 -6.724 7.796 1.00 0.00 N ATOM 211 CA LEU A 14 5.032 -6.111 6.522 1.00 0.00 C ATOM 212 C LEU A 14 3.983 -6.562 5.526 1.00 0.00 C ATOM 213 O LEU A 14 3.174 -5.757 5.076 1.00 0.00 O ATOM 214 CB LEU A 14 6.471 -6.469 6.074 1.00 0.00 C ATOM 215 CG LEU A 14 7.562 -5.848 6.968 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.919 -6.540 6.890 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.817 -4.388 6.671 1.00 0.00 C ATOM 0 H LEU A 14 5.498 -7.239 8.192 1.00 0.00 H new ATOM 0 HA LEU A 14 5.015 -5.024 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.585 -7.553 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.618 -6.133 5.047 1.00 0.00 H new ATOM 0 HG LEU A 14 7.140 -5.980 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.623 -6.035 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.815 -7.581 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.290 -6.499 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.596 -4.012 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.139 -4.278 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.901 -3.819 6.828 1.00 0.00 H new ATOM 229 N LYS A 15 3.927 -7.848 5.200 1.00 0.00 N ATOM 230 CA LYS A 15 2.934 -8.355 4.284 1.00 0.00 C ATOM 231 C LYS A 15 1.537 -8.039 4.766 1.00 0.00 C ATOM 232 O LYS A 15 0.752 -7.614 3.939 1.00 0.00 O ATOM 233 CB LYS A 15 3.136 -9.837 4.005 1.00 0.00 C ATOM 234 CG LYS A 15 3.158 -10.786 5.218 1.00 0.00 C ATOM 235 CD LYS A 15 1.747 -11.263 5.636 1.00 0.00 C ATOM 236 CE LYS A 15 1.570 -12.784 5.637 1.00 0.00 C ATOM 237 NZ LYS A 15 1.939 -13.429 6.913 1.00 0.00 N ATOM 0 H LYS A 15 4.565 -8.556 5.563 1.00 0.00 H new ATOM 0 HA LYS A 15 3.062 -7.843 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.342 -10.165 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.077 -9.954 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.774 -11.654 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.629 -10.280 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.529 -10.883 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.013 -10.824 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.530 -13.019 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.175 -13.211 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.793 -14.456 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.939 -13.236 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.345 -13.050 7.678 1.00 0.00 H new ATOM 251 N ASN A 16 1.224 -8.171 6.049 1.00 0.00 N ATOM 252 CA ASN A 16 -0.117 -7.921 6.576 1.00 0.00 C ATOM 253 C ASN A 16 -0.551 -6.458 6.449 1.00 0.00 C ATOM 254 O ASN A 16 -1.744 -6.154 6.504 1.00 0.00 O ATOM 255 CB ASN A 16 -0.138 -8.353 8.051 1.00 0.00 C ATOM 256 CG ASN A 16 -1.501 -8.219 8.716 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.516 -8.628 8.148 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.553 -7.711 9.934 1.00 0.00 N ATOM 0 H ASN A 16 1.897 -8.457 6.761 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.828 -8.498 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.188 -9.391 8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.585 -7.754 8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.446 -7.651 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.701 -7.379 10.385 1.00 0.00 H new ATOM 265 N LEU A 17 0.392 -5.556 6.194 1.00 0.00 N ATOM 266 CA LEU A 17 0.111 -4.123 6.068 1.00 0.00 C ATOM 267 C LEU A 17 0.079 -3.777 4.598 1.00 0.00 C ATOM 268 O LEU A 17 -0.768 -3.011 4.141 1.00 0.00 O ATOM 269 CB LEU A 17 1.177 -3.247 6.758 1.00 0.00 C ATOM 270 CG LEU A 17 0.730 -2.695 8.125 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.879 -3.738 9.237 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.575 -1.466 8.473 1.00 0.00 C ATOM 0 H LEU A 17 1.376 -5.795 6.068 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.843 -3.923 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.086 -3.833 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.429 -2.413 6.103 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.325 -2.429 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.553 -3.309 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.267 -4.609 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.924 -4.040 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.262 -1.071 9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.627 -1.749 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.438 -0.702 7.708 1.00 0.00 H new ATOM 284 N LEU A 18 1.040 -4.308 3.848 1.00 0.00 N ATOM 285 CA LEU A 18 1.225 -3.938 2.464 1.00 0.00 C ATOM 286 C LEU A 18 0.186 -4.649 1.624 1.00 0.00 C ATOM 287 O LEU A 18 -0.238 -4.095 0.606 1.00 0.00 O ATOM 288 CB LEU A 18 2.657 -4.222 1.976 1.00 0.00 C ATOM 289 CG LEU A 18 3.852 -3.794 2.868 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.037 -3.305 2.045 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.544 -2.794 4.006 1.00 0.00 C ATOM 0 H LEU A 18 1.705 -5.003 4.188 1.00 0.00 H new ATOM 0 HA LEU A 18 1.088 -2.861 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.740 -5.295 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.778 -3.736 1.008 1.00 0.00 H new ATOM 0 HG LEU A 18 4.109 -4.723 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.849 -3.016 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.376 -4.104 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.735 -2.445 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.460 -2.575 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.146 -1.872 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.809 -3.229 4.684 1.00 0.00 H new ATOM 303 N GLU A 19 -0.259 -5.828 2.068 1.00 0.00 N ATOM 304 CA GLU A 19 -1.468 -6.444 1.548 1.00 0.00 C ATOM 305 C GLU A 19 -2.681 -5.541 1.774 1.00 0.00 C ATOM 306 O GLU A 19 -3.535 -5.477 0.894 1.00 0.00 O ATOM 307 CB GLU A 19 -1.653 -7.857 2.125 1.00 0.00 C ATOM 308 CG GLU A 19 -2.308 -7.966 3.504 1.00 0.00 C ATOM 309 CD GLU A 19 -2.291 -9.414 4.037 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.687 -10.313 3.408 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.936 -9.701 5.073 1.00 0.00 O ATOM 0 H GLU A 19 0.209 -6.373 2.792 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.368 -6.561 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.251 -8.435 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.673 -8.332 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.787 -7.315 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.338 -7.613 3.446 1.00 0.00 H new ATOM 318 N GLU A 20 -2.748 -4.820 2.904 1.00 0.00 N ATOM 319 CA GLU A 20 -3.872 -3.948 3.214 1.00 0.00 C ATOM 320 C GLU A 20 -3.954 -2.793 2.216 1.00 0.00 C ATOM 321 O GLU A 20 -5.000 -2.586 1.619 1.00 0.00 O ATOM 322 CB GLU A 20 -3.864 -3.426 4.659 1.00 0.00 C ATOM 323 CG GLU A 20 -5.299 -3.024 5.060 1.00 0.00 C ATOM 324 CD GLU A 20 -5.387 -1.795 5.969 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.449 -1.492 6.740 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.389 -1.057 5.846 1.00 0.00 O ATOM 0 H GLU A 20 -2.023 -4.831 3.621 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.768 -4.562 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.486 -4.194 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.196 -2.569 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.875 -2.832 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.771 -3.867 5.565 1.00 0.00 H new ATOM 333 N LYS A 21 -2.875 -2.046 1.973 1.00 0.00 N ATOM 334 CA LYS A 21 -2.813 -0.993 0.985 1.00 0.00 C ATOM 335 C LYS A 21 -3.184 -1.607 -0.366 1.00 0.00 C ATOM 336 O LYS A 21 -4.133 -1.148 -0.999 1.00 0.00 O ATOM 337 CB LYS A 21 -1.411 -0.354 1.073 1.00 0.00 C ATOM 338 CG LYS A 21 -1.076 0.202 2.474 1.00 0.00 C ATOM 339 CD LYS A 21 -1.913 1.386 2.971 1.00 0.00 C ATOM 340 CE LYS A 21 -1.289 2.697 2.499 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.849 3.877 3.178 1.00 0.00 N ATOM 0 H LYS A 21 -1.999 -2.170 2.480 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.521 -0.180 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.663 -1.098 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.342 0.453 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.177 -0.610 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.028 0.503 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.934 1.304 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.970 1.371 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.213 2.663 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.438 2.798 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.213 4.689 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.783 4.098 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.947 3.679 4.194 1.00 0.00 H new ATOM 355 N LYS A 22 -2.478 -2.647 -0.830 1.00 0.00 N ATOM 356 CA LYS A 22 -2.815 -3.317 -2.085 1.00 0.00 C ATOM 357 C LYS A 22 -4.308 -3.671 -2.218 1.00 0.00 C ATOM 358 O LYS A 22 -4.826 -3.431 -3.316 1.00 0.00 O ATOM 359 CB LYS A 22 -1.922 -4.550 -2.260 1.00 0.00 C ATOM 360 CG LYS A 22 -1.584 -4.831 -3.727 1.00 0.00 C ATOM 361 CD LYS A 22 -0.820 -6.155 -3.800 1.00 0.00 C ATOM 362 CE LYS A 22 -0.159 -6.387 -5.156 1.00 0.00 C ATOM 363 NZ LYS A 22 0.388 -7.754 -5.205 1.00 0.00 N ATOM 0 H LYS A 22 -1.668 -3.041 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.623 -2.610 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.998 -4.407 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.422 -5.419 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.495 -4.885 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.981 -4.022 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.057 -6.171 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.506 -6.976 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.885 -6.245 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.637 -5.659 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.839 -7.915 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.093 -7.873 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.381 -8.441 -5.072 1.00 0.00 H new ATOM 377 N ARG A 23 -5.012 -4.189 -1.188 1.00 0.00 N ATOM 378 CA ARG A 23 -6.456 -4.370 -1.306 1.00 0.00 C ATOM 379 C ARG A 23 -7.151 -3.021 -1.306 1.00 0.00 C ATOM 380 O ARG A 23 -7.927 -2.798 -2.219 1.00 0.00 O ATOM 381 CB ARG A 23 -7.041 -5.326 -0.253 1.00 0.00 C ATOM 382 CG ARG A 23 -6.874 -4.876 1.197 1.00 0.00 C ATOM 383 CD ARG A 23 -7.454 -5.798 2.255 1.00 0.00 C ATOM 384 NE ARG A 23 -6.716 -7.062 2.374 1.00 0.00 N ATOM 385 CZ ARG A 23 -6.968 -8.198 1.724 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.065 -8.350 0.988 1.00 0.00 N ATOM 387 NH2 ARG A 23 -6.076 -9.172 1.795 1.00 0.00 N ATOM 0 H ARG A 23 -4.610 -4.478 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.644 -4.859 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.104 -5.458 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.571 -6.302 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.810 -4.752 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.336 -3.895 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.449 -5.287 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.495 -6.012 2.013 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.928 -7.072 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.737 -7.587 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.234 -9.230 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.222 -9.043 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.242 -10.052 1.308 1.00 0.00 H new ATOM 401 N GLN A 24 -6.880 -2.118 -0.361 1.00 0.00 N ATOM 402 CA GLN A 24 -7.543 -0.840 -0.160 1.00 0.00 C ATOM 403 C GLN A 24 -7.705 -0.096 -1.476 1.00 0.00 C ATOM 404 O GLN A 24 -8.782 0.396 -1.773 1.00 0.00 O ATOM 405 CB GLN A 24 -6.766 0.026 0.840 1.00 0.00 C ATOM 406 CG GLN A 24 -7.183 -0.166 2.313 1.00 0.00 C ATOM 407 CD GLN A 24 -7.416 1.141 3.091 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.688 2.202 2.532 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.320 1.102 4.407 1.00 0.00 N ATOM 0 H GLN A 24 -6.143 -2.276 0.326 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.534 -1.042 0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.703 -0.196 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.898 1.074 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.097 -0.759 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.412 -0.744 2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.095 0.225 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.471 1.949 4.955 1.00 0.00 H new ATOM 418 N LEU A 25 -6.673 -0.043 -2.314 1.00 0.00 N ATOM 419 CA LEU A 25 -6.799 0.546 -3.642 1.00 0.00 C ATOM 420 C LEU A 25 -7.923 -0.108 -4.448 1.00 0.00 C ATOM 421 O LEU A 25 -8.807 0.575 -4.970 1.00 0.00 O ATOM 422 CB LEU A 25 -5.436 0.427 -4.321 1.00 0.00 C ATOM 423 CG LEU A 25 -5.310 0.820 -5.797 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.839 -0.168 -6.845 1.00 0.00 C ATOM 425 CD2 LEU A 25 -5.949 2.187 -5.996 1.00 0.00 C ATOM 0 H LEU A 25 -5.743 -0.400 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.081 1.597 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.731 1.037 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.109 -0.609 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.237 0.823 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.683 0.242 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.306 -1.114 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.904 -0.334 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.866 2.479 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.001 2.141 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.438 2.921 -5.373 1.00 0.00 H new ATOM 437 N MET A 26 -7.873 -1.428 -4.588 1.00 0.00 N ATOM 438 CA MET A 26 -8.885 -2.194 -5.304 1.00 0.00 C ATOM 439 C MET A 26 -10.257 -2.150 -4.605 1.00 0.00 C ATOM 440 O MET A 26 -11.274 -2.259 -5.282 1.00 0.00 O ATOM 441 CB MET A 26 -8.410 -3.642 -5.472 1.00 0.00 C ATOM 442 CG MET A 26 -7.100 -3.733 -6.269 1.00 0.00 C ATOM 443 SD MET A 26 -6.466 -5.414 -6.508 1.00 0.00 S ATOM 444 CE MET A 26 -5.173 -5.086 -7.731 1.00 0.00 C ATOM 0 H MET A 26 -7.122 -2.001 -4.204 1.00 0.00 H new ATOM 0 HA MET A 26 -9.018 -1.736 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.268 -4.092 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.183 -4.220 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.254 -3.276 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.339 -3.143 -5.758 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.676 -6.020 -7.994 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.619 -4.649 -8.624 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.444 -4.392 -7.313 1.00 0.00 H new ATOM 454 N GLU A 27 -10.307 -1.958 -3.290 1.00 0.00 N ATOM 455 CA GLU A 27 -11.493 -2.016 -2.433 1.00 0.00 C ATOM 456 C GLU A 27 -12.228 -0.692 -2.430 1.00 0.00 C ATOM 457 O GLU A 27 -13.454 -0.640 -2.344 1.00 0.00 O ATOM 458 CB GLU A 27 -11.040 -2.237 -0.988 1.00 0.00 C ATOM 459 CG GLU A 27 -10.497 -3.634 -0.711 1.00 0.00 C ATOM 460 CD GLU A 27 -11.540 -4.528 -0.058 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.057 -4.152 1.020 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.811 -5.617 -0.599 1.00 0.00 O ATOM 0 H GLU A 27 -9.465 -1.743 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.136 -2.813 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.270 -1.505 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.882 -2.048 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.165 -4.086 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.623 -3.562 -0.063 1.00 0.00 H new ATOM 469 N LEU A 28 -11.470 0.393 -2.476 1.00 0.00 N ATOM 470 CA LEU A 28 -12.009 1.722 -2.503 1.00 0.00 C ATOM 471 C LEU A 28 -12.560 1.950 -3.894 1.00 0.00 C ATOM 472 O LEU A 28 -13.744 2.253 -4.029 1.00 0.00 O ATOM 473 CB LEU A 28 -10.948 2.739 -2.080 1.00 0.00 C ATOM 474 CG LEU A 28 -10.766 2.974 -0.563 1.00 0.00 C ATOM 475 CD1 LEU A 28 -10.978 1.760 0.349 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.360 3.523 -0.330 1.00 0.00 C ATOM 0 H LEU A 28 -10.451 0.363 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.820 1.849 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.990 2.420 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.191 3.695 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.557 3.670 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.822 2.053 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.994 1.386 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.268 0.977 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.209 3.697 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.624 2.803 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.242 4.462 -0.871 1.00 0.00 H new ATOM 488 N ARG A 29 -11.766 1.702 -4.944 1.00 0.00 N ATOM 489 CA ARG A 29 -12.284 1.804 -6.314 1.00 0.00 C ATOM 490 C ARG A 29 -13.525 0.927 -6.488 1.00 0.00 C ATOM 491 O ARG A 29 -14.399 1.267 -7.276 1.00 0.00 O ATOM 492 CB ARG A 29 -11.223 1.517 -7.395 1.00 0.00 C ATOM 493 CG ARG A 29 -10.996 0.018 -7.599 1.00 0.00 C ATOM 494 CD ARG A 29 -10.127 -0.349 -8.800 1.00 0.00 C ATOM 495 NE ARG A 29 -10.487 -1.706 -9.260 1.00 0.00 N ATOM 496 CZ ARG A 29 -11.534 -2.023 -10.041 1.00 0.00 C ATOM 497 NH1 ARG A 29 -12.165 -1.108 -10.771 1.00 0.00 N ATOM 498 NH2 ARG A 29 -11.973 -3.271 -10.061 1.00 0.00 N ATOM 0 H ARG A 29 -10.784 1.435 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.572 2.845 -6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.536 1.967 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.282 1.990 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.535 -0.390 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.965 -0.469 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.273 0.372 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.072 -0.312 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.886 -2.472 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.857 -0.136 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.957 -1.378 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.518 -3.981 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.767 -3.523 -10.650 1.00 0.00 H new ATOM 512 N PHE A 30 -13.585 -0.194 -5.770 1.00 0.00 N ATOM 513 CA PHE A 30 -14.704 -1.105 -5.777 1.00 0.00 C ATOM 514 C PHE A 30 -15.925 -0.452 -5.139 1.00 0.00 C ATOM 515 O PHE A 30 -17.015 -0.666 -5.665 1.00 0.00 O ATOM 516 CB PHE A 30 -14.279 -2.398 -5.069 1.00 0.00 C ATOM 517 CG PHE A 30 -15.370 -3.307 -4.564 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.235 -3.955 -5.463 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.467 -3.559 -3.183 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.176 -4.877 -4.978 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.407 -4.478 -2.703 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.251 -5.149 -3.601 1.00 0.00 C ATOM 0 H PHE A 30 -12.829 -0.492 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.994 -1.355 -6.797 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.657 -2.970 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.649 -2.126 -4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.176 -3.745 -6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.816 -3.043 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.843 -5.378 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.483 -4.670 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.960 -5.876 -3.233 1.00 0.00 H new ATOM 532 N GLN A 31 -15.813 0.385 -4.086 1.00 0.00 N ATOM 533 CA GLN A 31 -17.027 0.908 -3.512 1.00 0.00 C ATOM 534 C GLN A 31 -17.535 2.022 -4.398 1.00 0.00 C ATOM 535 O GLN A 31 -18.713 2.323 -4.371 1.00 0.00 O ATOM 536 CB GLN A 31 -16.756 1.325 -2.062 1.00 0.00 C ATOM 537 CG GLN A 31 -16.936 0.083 -1.192 1.00 0.00 C ATOM 538 CD GLN A 31 -17.174 0.411 0.280 1.00 0.00 C ATOM 539 OE1 GLN A 31 -18.210 0.962 0.651 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.226 0.100 1.143 1.00 0.00 N ATOM 0 H GLN A 31 -14.941 0.687 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.818 0.160 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.747 1.724 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.443 2.113 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.777 -0.498 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.050 -0.546 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.373 -0.357 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.346 0.316 2.133 1.00 0.00 H new ATOM 549 N LEU A 32 -16.674 2.609 -5.216 1.00 0.00 N ATOM 550 CA LEU A 32 -17.035 3.608 -6.206 1.00 0.00 C ATOM 551 C LEU A 32 -17.772 2.959 -7.373 1.00 0.00 C ATOM 552 O LEU A 32 -18.881 3.353 -7.719 1.00 0.00 O ATOM 553 CB LEU A 32 -15.742 4.279 -6.671 1.00 0.00 C ATOM 554 CG LEU A 32 -15.931 5.583 -7.429 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.674 5.483 -8.754 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.582 6.648 -6.540 1.00 0.00 C ATOM 0 H LEU A 32 -15.677 2.396 -5.208 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.708 4.351 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.116 4.470 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.197 3.582 -7.308 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.916 5.877 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.749 6.473 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.131 4.818 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.674 5.086 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.705 7.570 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.557 6.295 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.947 6.837 -5.674 1.00 0.00 H new ATOM 568 N ALA A 33 -17.125 1.965 -7.974 1.00 0.00 N ATOM 569 CA ALA A 33 -17.628 1.129 -9.057 1.00 0.00 C ATOM 570 C ALA A 33 -18.984 0.517 -8.713 1.00 0.00 C ATOM 571 O ALA A 33 -19.772 0.239 -9.617 1.00 0.00 O ATOM 572 CB ALA A 33 -16.615 0.015 -9.337 1.00 0.00 C ATOM 0 H ALA A 33 -16.177 1.707 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.761 1.753 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.983 -0.616 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.660 0.455 -9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.480 -0.588 -8.439 1.00 0.00 H new ATOM 578 N MET A 34 -19.246 0.302 -7.422 1.00 0.00 N ATOM 579 CA MET A 34 -20.553 0.013 -6.905 1.00 0.00 C ATOM 580 C MET A 34 -21.374 1.308 -6.840 1.00 0.00 C ATOM 581 O MET A 34 -22.218 1.543 -7.707 1.00 0.00 O ATOM 582 CB MET A 34 -20.384 -0.707 -5.563 1.00 0.00 C ATOM 583 CG MET A 34 -19.895 -2.152 -5.753 1.00 0.00 C ATOM 584 SD MET A 34 -21.154 -3.445 -5.566 1.00 0.00 S ATOM 585 CE MET A 34 -22.344 -3.043 -6.868 1.00 0.00 C ATOM 0 H MET A 34 -18.525 0.328 -6.701 1.00 0.00 H new ATOM 0 HA MET A 34 -21.118 -0.656 -7.554 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.673 -0.160 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.335 -0.711 -5.030 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.457 -2.239 -6.747 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.097 -2.342 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.132 -3.796 -6.886 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.782 -2.064 -6.671 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.836 -3.026 -7.832 1.00 0.00 H new ATOM 595 N GLY A 35 -21.108 2.173 -5.859 1.00 0.00 N ATOM 596 CA GLY A 35 -21.672 3.518 -5.796 1.00 0.00 C ATOM 597 C GLY A 35 -21.769 4.106 -4.387 1.00 0.00 C ATOM 598 O GLY A 35 -22.648 4.919 -4.100 1.00 0.00 O ATOM 0 H GLY A 35 -20.488 1.955 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.063 4.181 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.669 3.500 -6.237 1.00 0.00 H new ATOM 602 N GLN A 36 -20.841 3.738 -3.512 1.00 0.00 N ATOM 603 CA GLN A 36 -20.854 3.879 -2.059 1.00 0.00 C ATOM 604 C GLN A 36 -19.770 4.882 -1.631 1.00 0.00 C ATOM 605 O GLN A 36 -19.955 5.683 -0.709 1.00 0.00 O ATOM 606 CB GLN A 36 -20.538 2.510 -1.423 1.00 0.00 C ATOM 607 CG GLN A 36 -21.190 1.276 -2.065 1.00 0.00 C ATOM 608 CD GLN A 36 -22.656 1.153 -1.700 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.491 1.873 -2.236 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.988 0.256 -0.792 1.00 0.00 N ATOM 0 H GLN A 36 -19.981 3.292 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.833 4.233 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.457 2.370 -1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.838 2.546 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.090 1.336 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.660 0.379 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.269 -0.328 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -23.964 0.146 -0.517 1.00 0.00 H new ATOM 619 N LEU A 37 -18.634 4.832 -2.344 1.00 0.00 N ATOM 620 CA LEU A 37 -17.402 5.548 -2.044 1.00 0.00 C ATOM 621 C LEU A 37 -17.609 7.046 -2.257 1.00 0.00 C ATOM 622 O LEU A 37 -18.039 7.453 -3.340 1.00 0.00 O ATOM 623 CB LEU A 37 -16.270 4.967 -2.909 1.00 0.00 C ATOM 624 CG LEU A 37 -14.879 5.265 -2.342 1.00 0.00 C ATOM 625 CD1 LEU A 37 -14.441 4.283 -1.257 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.819 5.417 -3.432 1.00 0.00 C ATOM 0 H LEU A 37 -18.555 4.261 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.119 5.420 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.400 3.888 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.342 5.376 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.974 6.234 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.447 4.554 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.146 4.320 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.416 3.274 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.853 5.627 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.754 4.494 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.093 6.239 -4.094 1.00 0.00 H new ATOM 638 N LYS A 38 -17.349 7.857 -1.227 1.00 0.00 N ATOM 639 CA LYS A 38 -17.759 9.264 -1.184 1.00 0.00 C ATOM 640 C LYS A 38 -16.973 10.147 -2.157 1.00 0.00 C ATOM 641 O LYS A 38 -17.544 11.101 -2.679 1.00 0.00 O ATOM 642 CB LYS A 38 -17.663 9.810 0.260 1.00 0.00 C ATOM 643 CG LYS A 38 -18.846 10.699 0.694 1.00 0.00 C ATOM 644 CD LYS A 38 -19.065 11.970 -0.142 1.00 0.00 C ATOM 645 CE LYS A 38 -20.275 12.751 0.373 1.00 0.00 C ATOM 646 NZ LYS A 38 -20.551 13.967 -0.421 1.00 0.00 N ATOM 0 H LYS A 38 -16.845 7.554 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.798 9.300 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.588 8.968 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.741 10.383 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.757 10.102 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.695 10.991 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.175 12.598 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.216 11.702 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.153 12.105 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.105 13.032 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.380 14.457 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.726 14.599 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.741 13.701 -1.408 1.00 0.00 H new ATOM 660 N ASN A 39 -15.675 9.917 -2.384 1.00 0.00 N ATOM 661 CA ASN A 39 -14.914 10.714 -3.354 1.00 0.00 C ATOM 662 C ASN A 39 -13.704 9.945 -3.873 1.00 0.00 C ATOM 663 O ASN A 39 -13.232 9.007 -3.225 1.00 0.00 O ATOM 664 CB ASN A 39 -14.440 12.049 -2.745 1.00 0.00 C ATOM 665 CG ASN A 39 -13.222 11.888 -1.850 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.093 11.983 -2.317 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.427 11.606 -0.576 1.00 0.00 N ATOM 0 H ASN A 39 -15.133 9.192 -1.914 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.589 10.924 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.205 12.747 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.253 12.489 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.634 11.461 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.379 11.534 -0.216 1.00 0.00 H new ATOM 674 N THR A 40 -13.148 10.395 -4.999 1.00 0.00 N ATOM 675 CA THR A 40 -12.010 9.759 -5.645 1.00 0.00 C ATOM 676 C THR A 40 -10.679 10.483 -5.412 1.00 0.00 C ATOM 677 O THR A 40 -9.626 9.900 -5.670 1.00 0.00 O ATOM 678 CB THR A 40 -12.283 9.634 -7.146 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.730 10.867 -7.672 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.337 8.566 -7.459 1.00 0.00 C ATOM 0 H THR A 40 -13.484 11.223 -5.491 1.00 0.00 H new ATOM 0 HA THR A 40 -11.900 8.775 -5.188 1.00 0.00 H new ATOM 0 HB THR A 40 -11.340 9.340 -7.607 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.898 10.771 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.495 8.516 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.992 7.597 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.274 8.824 -6.966 1.00 0.00 H new ATOM 688 N SER A 41 -10.668 11.718 -4.903 1.00 0.00 N ATOM 689 CA SER A 41 -9.415 12.392 -4.560 1.00 0.00 C ATOM 690 C SER A 41 -8.686 11.636 -3.445 1.00 0.00 C ATOM 691 O SER A 41 -7.458 11.566 -3.443 1.00 0.00 O ATOM 692 CB SER A 41 -9.705 13.834 -4.149 1.00 0.00 C ATOM 693 OG SER A 41 -10.483 14.461 -5.158 1.00 0.00 O ATOM 0 H SER A 41 -11.508 12.268 -4.721 1.00 0.00 H new ATOM 0 HA SER A 41 -8.762 12.403 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.238 13.853 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.772 14.378 -4.003 1.00 0.00 H new ATOM 0 HG SER A 41 -10.673 15.386 -4.897 1.00 0.00 H new ATOM 699 N LEU A 42 -9.452 10.992 -2.562 1.00 0.00 N ATOM 700 CA LEU A 42 -8.949 10.053 -1.582 1.00 0.00 C ATOM 701 C LEU A 42 -8.309 8.887 -2.321 1.00 0.00 C ATOM 702 O LEU A 42 -7.120 8.659 -2.150 1.00 0.00 O ATOM 703 CB LEU A 42 -10.084 9.632 -0.634 1.00 0.00 C ATOM 704 CG LEU A 42 -9.572 8.715 0.497 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.254 9.079 1.819 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.793 7.227 0.198 1.00 0.00 C ATOM 0 H LEU A 42 -10.463 11.119 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.182 10.504 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.545 10.520 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.858 9.114 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.497 8.877 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.886 8.426 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.030 10.116 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.332 8.955 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.414 6.629 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.858 7.036 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.264 6.957 -0.716 1.00 0.00 H new ATOM 718 N ILE A 43 -9.050 8.210 -3.209 1.00 0.00 N ATOM 719 CA ILE A 43 -8.547 7.076 -3.989 1.00 0.00 C ATOM 720 C ILE A 43 -7.198 7.407 -4.621 1.00 0.00 C ATOM 721 O ILE A 43 -6.276 6.603 -4.563 1.00 0.00 O ATOM 722 CB ILE A 43 -9.607 6.592 -5.016 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.063 5.158 -4.700 1.00 0.00 C ATOM 724 CG2 ILE A 43 -9.252 6.718 -6.507 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.009 4.057 -4.913 1.00 0.00 C ATOM 0 H ILE A 43 -10.024 8.438 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.372 6.236 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.421 7.304 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.393 5.123 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.931 4.928 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.079 6.344 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.069 7.765 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.356 6.134 -6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.439 3.088 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.693 4.053 -5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.147 4.250 -4.274 1.00 0.00 H new ATOM 737 N LYS A 44 -7.045 8.591 -5.207 1.00 0.00 N ATOM 738 CA LYS A 44 -5.826 9.021 -5.871 1.00 0.00 C ATOM 739 C LYS A 44 -4.626 9.042 -4.929 1.00 0.00 C ATOM 740 O LYS A 44 -3.530 8.619 -5.292 1.00 0.00 O ATOM 741 CB LYS A 44 -6.124 10.400 -6.446 1.00 0.00 C ATOM 742 CG LYS A 44 -4.910 11.037 -7.114 1.00 0.00 C ATOM 743 CD LYS A 44 -4.301 12.239 -6.379 1.00 0.00 C ATOM 744 CE LYS A 44 -2.828 12.032 -6.010 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.171 13.315 -5.676 1.00 0.00 N ATOM 0 H LYS A 44 -7.785 9.292 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.547 8.319 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.932 10.319 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.478 11.053 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.139 10.275 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.195 11.354 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.391 13.126 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.874 12.431 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.756 11.352 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.306 11.559 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.175 13.142 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.220 13.954 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.656 13.753 -4.867 1.00 0.00 H new ATOM 759 N LEU A 45 -4.819 9.544 -3.721 1.00 0.00 N ATOM 760 CA LEU A 45 -3.861 9.555 -2.651 1.00 0.00 C ATOM 761 C LEU A 45 -3.643 8.106 -2.208 1.00 0.00 C ATOM 762 O LEU A 45 -2.531 7.749 -1.827 1.00 0.00 O ATOM 763 CB LEU A 45 -4.438 10.408 -1.534 1.00 0.00 C ATOM 764 CG LEU A 45 -4.200 11.914 -1.742 1.00 0.00 C ATOM 765 CD1 LEU A 45 -4.712 12.583 -0.488 1.00 0.00 C ATOM 766 CD2 LEU A 45 -2.754 12.390 -1.954 1.00 0.00 C ATOM 0 H LEU A 45 -5.703 9.978 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.899 9.973 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.509 10.222 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.995 10.103 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.704 12.169 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.573 13.661 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.772 12.362 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.161 12.209 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.743 13.472 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.152 12.125 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.340 11.912 -2.842 1.00 0.00 H new ATOM 778 N THR A 46 -4.641 7.226 -2.316 1.00 0.00 N ATOM 779 CA THR A 46 -4.490 5.822 -2.009 1.00 0.00 C ATOM 780 C THR A 46 -3.533 5.202 -3.029 1.00 0.00 C ATOM 781 O THR A 46 -2.498 4.688 -2.626 1.00 0.00 O ATOM 782 CB THR A 46 -5.874 5.152 -1.913 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.779 5.999 -1.241 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.839 3.822 -1.181 1.00 0.00 C ATOM 0 H THR A 46 -5.580 7.481 -2.622 1.00 0.00 H new ATOM 0 HA THR A 46 -4.038 5.664 -1.030 1.00 0.00 H new ATOM 0 HB THR A 46 -6.194 4.969 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.346 5.466 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.843 3.399 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.174 3.135 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.474 3.975 -0.165 1.00 0.00 H new ATOM 792 N LYS A 47 -3.752 5.312 -4.350 1.00 0.00 N ATOM 793 CA LYS A 47 -2.788 4.775 -5.336 1.00 0.00 C ATOM 794 C LYS A 47 -1.371 5.327 -5.218 1.00 0.00 C ATOM 795 O LYS A 47 -0.451 4.625 -5.656 1.00 0.00 O ATOM 796 CB LYS A 47 -3.241 4.616 -6.797 1.00 0.00 C ATOM 797 CG LYS A 47 -4.156 5.713 -7.241 1.00 0.00 C ATOM 798 CD LYS A 47 -5.631 5.343 -7.091 1.00 0.00 C ATOM 799 CE LYS A 47 -6.405 4.709 -8.266 1.00 0.00 C ATOM 800 NZ LYS A 47 -5.625 3.924 -9.249 1.00 0.00 N ATOM 0 H LYS A 47 -4.572 5.759 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.760 3.741 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.364 4.595 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.746 3.657 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.949 6.611 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.950 5.954 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.706 4.655 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.163 6.251 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.175 4.059 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.917 5.508 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.260 3.277 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.171 4.569 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.895 3.373 -8.753 1.00 0.00 H new ATOM 814 N ARG A 48 -1.148 6.516 -4.643 1.00 0.00 N ATOM 815 CA ARG A 48 0.220 7.009 -4.476 1.00 0.00 C ATOM 816 C ARG A 48 0.899 6.156 -3.407 1.00 0.00 C ATOM 817 O ARG A 48 2.000 5.652 -3.632 1.00 0.00 O ATOM 818 CB ARG A 48 0.262 8.523 -4.169 1.00 0.00 C ATOM 819 CG ARG A 48 0.383 8.954 -2.698 1.00 0.00 C ATOM 820 CD ARG A 48 0.107 10.437 -2.468 1.00 0.00 C ATOM 821 NE ARG A 48 1.068 10.966 -1.481 1.00 0.00 N ATOM 822 CZ ARG A 48 2.210 11.617 -1.742 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.441 12.133 -2.944 1.00 0.00 N ATOM 824 NH2 ARG A 48 3.142 11.746 -0.808 1.00 0.00 N ATOM 0 H ARG A 48 -1.877 7.138 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 48 0.771 6.909 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.103 8.952 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.644 8.972 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.313 8.367 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.386 8.721 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.194 10.984 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.913 10.577 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 48 0.839 10.821 -0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.745 12.036 -3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.315 12.626 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.993 11.348 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.008 12.243 -1.017 1.00 0.00 H new ATOM 838 N ASP A 49 0.238 5.955 -2.264 1.00 0.00 N ATOM 839 CA ASP A 49 0.776 5.163 -1.163 1.00 0.00 C ATOM 840 C ASP A 49 0.809 3.720 -1.599 1.00 0.00 C ATOM 841 O ASP A 49 1.793 3.057 -1.332 1.00 0.00 O ATOM 842 CB ASP A 49 -0.075 5.265 0.115 1.00 0.00 C ATOM 843 CG ASP A 49 0.589 5.979 1.296 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.482 6.830 1.072 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.174 5.732 2.453 1.00 0.00 O ATOM 0 H ASP A 49 -0.688 6.340 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 49 1.769 5.547 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.001 5.786 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.348 4.258 0.429 1.00 0.00 H new ATOM 850 N ILE A 50 -0.208 3.217 -2.302 1.00 0.00 N ATOM 851 CA ILE A 50 -0.206 1.824 -2.725 1.00 0.00 C ATOM 852 C ILE A 50 1.024 1.594 -3.554 1.00 0.00 C ATOM 853 O ILE A 50 1.767 0.682 -3.253 1.00 0.00 O ATOM 854 CB ILE A 50 -1.489 1.386 -3.467 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.435 0.768 -2.439 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.294 0.319 -4.566 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.215 1.829 -1.673 1.00 0.00 C ATOM 0 H ILE A 50 -1.031 3.749 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.191 1.198 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.863 2.286 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.132 0.099 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.862 0.162 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.256 0.085 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.615 0.702 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.872 -0.584 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.875 1.346 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.520 2.482 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.809 2.419 -2.371 1.00 0.00 H new ATOM 869 N ALA A 51 1.287 2.417 -4.557 1.00 0.00 N ATOM 870 CA ALA A 51 2.411 2.157 -5.426 1.00 0.00 C ATOM 871 C ALA A 51 3.757 2.439 -4.744 1.00 0.00 C ATOM 872 O ALA A 51 4.800 2.191 -5.347 1.00 0.00 O ATOM 873 CB ALA A 51 2.205 3.008 -6.672 1.00 0.00 C ATOM 0 H ALA A 51 0.747 3.252 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 51 2.453 1.100 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.032 2.847 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.269 2.727 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.167 4.061 -6.391 1.00 0.00 H new ATOM 879 N ARG A 52 3.757 2.965 -3.515 1.00 0.00 N ATOM 880 CA ARG A 52 4.904 3.007 -2.620 1.00 0.00 C ATOM 881 C ARG A 52 4.946 1.716 -1.810 1.00 0.00 C ATOM 882 O ARG A 52 5.877 0.933 -1.966 1.00 0.00 O ATOM 883 CB ARG A 52 4.809 4.293 -1.778 1.00 0.00 C ATOM 884 CG ARG A 52 6.045 4.659 -0.960 1.00 0.00 C ATOM 885 CD ARG A 52 6.128 3.877 0.358 1.00 0.00 C ATOM 886 NE ARG A 52 6.719 4.703 1.411 1.00 0.00 N ATOM 887 CZ ARG A 52 7.986 5.098 1.504 1.00 0.00 C ATOM 888 NH1 ARG A 52 8.894 4.707 0.612 1.00 0.00 N ATOM 889 NH2 ARG A 52 8.317 5.874 2.517 1.00 0.00 N ATOM 0 H ARG A 52 2.923 3.388 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 52 5.853 3.054 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.583 5.124 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.964 4.194 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.939 4.464 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.032 5.727 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.131 3.554 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.726 2.977 0.216 1.00 0.00 H new ATOM 0 HE ARG A 52 6.092 5.009 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.622 4.095 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.861 5.019 0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.611 6.153 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.279 6.196 2.620 1.00 0.00 H new ATOM 903 N ILE A 53 3.952 1.466 -0.965 1.00 0.00 N ATOM 904 CA ILE A 53 3.843 0.291 -0.118 1.00 0.00 C ATOM 905 C ILE A 53 3.950 -1.001 -0.916 1.00 0.00 C ATOM 906 O ILE A 53 4.799 -1.830 -0.611 1.00 0.00 O ATOM 907 CB ILE A 53 2.571 0.427 0.746 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.793 1.419 1.911 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.196 -0.923 1.330 1.00 0.00 C ATOM 910 CD1 ILE A 53 2.277 2.827 1.639 1.00 0.00 C ATOM 0 H ILE A 53 3.167 2.107 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 53 4.690 0.231 0.565 1.00 0.00 H new ATOM 0 HB ILE A 53 1.772 0.799 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.302 1.030 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.859 1.471 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.298 -0.819 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.007 -1.629 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.014 -1.291 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.472 3.460 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.786 3.239 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.204 2.791 1.450 1.00 0.00 H new ATOM 922 N LYS A 54 3.134 -1.197 -1.940 1.00 0.00 N ATOM 923 CA LYS A 54 3.113 -2.448 -2.679 1.00 0.00 C ATOM 924 C LYS A 54 4.457 -2.707 -3.372 1.00 0.00 C ATOM 925 O LYS A 54 4.786 -3.858 -3.666 1.00 0.00 O ATOM 926 CB LYS A 54 1.881 -2.480 -3.618 1.00 0.00 C ATOM 927 CG LYS A 54 2.112 -1.742 -4.958 1.00 0.00 C ATOM 928 CD LYS A 54 2.800 -2.602 -6.040 1.00 0.00 C ATOM 929 CE LYS A 54 2.260 -2.284 -7.442 1.00 0.00 C ATOM 930 NZ LYS A 54 3.189 -2.707 -8.510 1.00 0.00 N ATOM 0 H LYS A 54 2.473 -0.499 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 54 2.994 -3.287 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.617 -3.517 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.031 -2.030 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.152 -1.396 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.719 -0.856 -4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.876 -2.427 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.644 -3.658 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.300 -2.781 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.079 -1.212 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.782 -2.472 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.097 -2.214 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.343 -3.734 -8.450 1.00 0.00 H new ATOM 944 N THR A 55 5.240 -1.654 -3.627 1.00 0.00 N ATOM 945 CA THR A 55 6.609 -1.763 -4.084 1.00 0.00 C ATOM 946 C THR A 55 7.531 -2.151 -2.930 1.00 0.00 C ATOM 947 O THR A 55 8.344 -3.038 -3.148 1.00 0.00 O ATOM 948 CB THR A 55 6.991 -0.447 -4.778 1.00 0.00 C ATOM 949 OG1 THR A 55 6.353 -0.457 -6.041 1.00 0.00 O ATOM 950 CG2 THR A 55 8.486 -0.214 -4.995 1.00 0.00 C ATOM 0 H THR A 55 4.925 -0.690 -3.516 1.00 0.00 H new ATOM 0 HA THR A 55 6.719 -2.564 -4.816 1.00 0.00 H new ATOM 0 HB THR A 55 6.675 0.360 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.756 0.317 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.637 0.744 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.997 -0.208 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.892 -1.012 -5.616 1.00 0.00 H new ATOM 958 N ILE A 56 7.402 -1.573 -1.725 1.00 0.00 N ATOM 959 CA ILE A 56 8.253 -1.898 -0.569 1.00 0.00 C ATOM 960 C ILE A 56 8.404 -3.402 -0.394 1.00 0.00 C ATOM 961 O ILE A 56 9.527 -3.871 -0.238 1.00 0.00 O ATOM 962 CB ILE A 56 7.760 -1.256 0.743 1.00 0.00 C ATOM 963 CG1 ILE A 56 7.981 0.266 0.754 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.390 -1.925 1.979 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.240 0.743 1.481 1.00 0.00 C ATOM 0 H ILE A 56 6.699 -0.862 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 56 9.230 -1.468 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 56 6.685 -1.427 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.023 0.617 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.114 0.738 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.017 -1.444 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.125 -2.982 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.474 -1.823 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.300 1.830 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.198 0.431 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.120 0.308 1.008 1.00 0.00 H new ATOM 977 N LEU A 57 7.281 -4.123 -0.412 1.00 0.00 N ATOM 978 CA LEU A 57 7.269 -5.577 -0.282 1.00 0.00 C ATOM 979 C LEU A 57 8.226 -6.161 -1.315 1.00 0.00 C ATOM 980 O LEU A 57 9.225 -6.782 -0.980 1.00 0.00 O ATOM 981 CB LEU A 57 5.826 -6.102 -0.410 1.00 0.00 C ATOM 982 CG LEU A 57 5.699 -7.618 -0.639 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.548 -8.435 0.327 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.234 -8.034 -0.479 1.00 0.00 C ATOM 0 H LEU A 57 6.354 -3.712 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 57 7.617 -5.892 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.279 -5.840 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.340 -5.584 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 57 6.059 -7.820 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.418 -9.497 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.598 -8.167 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.237 -8.226 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.141 -9.108 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.894 -7.788 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.623 -7.503 -1.209 1.00 0.00 H new ATOM 996 N ARG A 58 7.949 -5.874 -2.577 1.00 0.00 N ATOM 997 CA ARG A 58 8.708 -6.334 -3.728 1.00 0.00 C ATOM 998 C ARG A 58 10.196 -6.038 -3.539 1.00 0.00 C ATOM 999 O ARG A 58 11.011 -6.940 -3.672 1.00 0.00 O ATOM 1000 CB ARG A 58 8.138 -5.680 -5.002 1.00 0.00 C ATOM 1001 CG ARG A 58 7.928 -6.690 -6.140 1.00 0.00 C ATOM 1002 CD ARG A 58 9.200 -7.443 -6.552 1.00 0.00 C ATOM 1003 NE ARG A 58 9.690 -7.055 -7.882 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.619 -7.759 -9.015 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.869 -8.847 -9.126 1.00 0.00 N ATOM 1006 NH2 ARG A 58 10.315 -7.324 -10.050 1.00 0.00 N ATOM 0 H ARG A 58 7.155 -5.289 -2.838 1.00 0.00 H new ATOM 0 HA ARG A 58 8.614 -7.415 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.188 -5.201 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.816 -4.895 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.173 -7.414 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.532 -6.165 -7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.981 -7.257 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.001 -8.515 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 58 10.137 -6.140 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.321 -9.172 -8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.840 -9.359 -10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.880 -6.479 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.288 -7.833 -10.933 1.00 0.00 H new ATOM 1020 N GLU A 59 10.553 -4.808 -3.182 1.00 0.00 N ATOM 1021 CA GLU A 59 11.931 -4.377 -2.924 1.00 0.00 C ATOM 1022 C GLU A 59 12.638 -5.293 -1.920 1.00 0.00 C ATOM 1023 O GLU A 59 13.840 -5.541 -2.067 1.00 0.00 O ATOM 1024 CB GLU A 59 11.957 -2.940 -2.371 1.00 0.00 C ATOM 1025 CG GLU A 59 11.209 -1.917 -3.234 1.00 0.00 C ATOM 1026 CD GLU A 59 12.018 -0.660 -3.562 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.472 0.041 -2.632 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.148 -0.337 -4.769 1.00 0.00 O ATOM 0 H GLU A 59 9.873 -4.057 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 59 12.456 -4.424 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.523 -2.940 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.994 -2.622 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.909 -2.395 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.295 -1.623 -2.718 1.00 0.00 H new ATOM 1035 N ARG A 60 11.915 -5.764 -0.896 1.00 0.00 N ATOM 1036 CA ARG A 60 12.485 -6.646 0.120 1.00 0.00 C ATOM 1037 C ARG A 60 12.789 -8.013 -0.452 1.00 0.00 C ATOM 1038 O ARG A 60 13.788 -8.598 -0.032 1.00 0.00 O ATOM 1039 CB ARG A 60 11.579 -6.829 1.351 1.00 0.00 C ATOM 1040 CG ARG A 60 11.435 -5.579 2.227 1.00 0.00 C ATOM 1041 CD ARG A 60 10.749 -5.928 3.558 1.00 0.00 C ATOM 1042 NE ARG A 60 11.667 -6.594 4.505 1.00 0.00 N ATOM 1043 CZ ARG A 60 11.560 -7.824 5.029 1.00 0.00 C ATOM 1044 NH1 ARG A 60 10.673 -8.709 4.596 1.00 0.00 N ATOM 1045 NH2 ARG A 60 12.355 -8.177 6.027 1.00 0.00 N ATOM 0 H ARG A 60 10.929 -5.545 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 60 13.402 -6.152 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.589 -7.137 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.976 -7.641 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.417 -5.148 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.854 -4.823 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.359 -5.017 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.896 -6.578 3.365 1.00 0.00 H new ATOM 0 HE ARG A 60 12.481 -6.053 4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.038 -8.465 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.625 -9.634 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.041 -7.516 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.281 -9.110 6.432 1.00 0.00 H new ATOM 1059 N GLU A 61 11.951 -8.479 -1.373 1.00 0.00 N ATOM 1060 CA GLU A 61 12.015 -9.803 -1.975 1.00 0.00 C ATOM 1061 C GLU A 61 13.360 -9.961 -2.689 1.00 0.00 C ATOM 1062 O GLU A 61 14.099 -10.898 -2.395 1.00 0.00 O ATOM 1063 CB GLU A 61 10.841 -10.087 -2.905 1.00 0.00 C ATOM 1064 CG GLU A 61 9.484 -10.019 -2.203 1.00 0.00 C ATOM 1065 CD GLU A 61 9.051 -11.179 -1.293 1.00 0.00 C ATOM 1066 OE1 GLU A 61 9.903 -11.849 -0.661 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.819 -11.394 -1.178 1.00 0.00 O ATOM 0 H GLU A 61 11.178 -7.920 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 61 11.938 -10.546 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.854 -9.369 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.966 -11.076 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.470 -9.109 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.722 -9.904 -2.973 1.00 0.00 H new ATOM 1074 N LEU A 62 13.696 -9.044 -3.616 1.00 0.00 N ATOM 1075 CA LEU A 62 14.895 -9.194 -4.423 1.00 0.00 C ATOM 1076 C LEU A 62 16.156 -8.996 -3.585 1.00 0.00 C ATOM 1077 O LEU A 62 17.060 -9.826 -3.624 1.00 0.00 O ATOM 1078 CB LEU A 62 14.926 -8.207 -5.604 1.00 0.00 C ATOM 1079 CG LEU A 62 13.639 -7.935 -6.407 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.577 -9.039 -6.438 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.054 -6.573 -6.024 1.00 0.00 C ATOM 0 H LEU A 62 13.153 -8.204 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 62 14.871 -10.211 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.278 -7.250 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.679 -8.564 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 62 13.971 -7.925 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.728 -8.711 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.003 -9.942 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.243 -9.251 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.145 -6.393 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.818 -6.564 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.781 -5.791 -6.241 1.00 0.00 H new ATOM 1093 N GLY A 63 16.254 -7.855 -2.892 1.00 0.00 N ATOM 1094 CA GLY A 63 17.528 -7.359 -2.375 1.00 0.00 C ATOM 1095 C GLY A 63 17.628 -5.835 -2.269 1.00 0.00 C ATOM 1096 O GLY A 63 18.661 -5.323 -1.822 1.00 0.00 O ATOM 0 H GLY A 63 15.457 -7.256 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.696 -7.790 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.330 -7.718 -3.020 1.00 0.00 H new ATOM 1100 N ILE A 64 16.616 -5.078 -2.711 1.00 0.00 N ATOM 1101 CA ILE A 64 16.657 -3.632 -2.832 1.00 0.00 C ATOM 1102 C ILE A 64 16.523 -2.973 -1.460 1.00 0.00 C ATOM 1103 O ILE A 64 17.043 -1.876 -1.226 1.00 0.00 O ATOM 1104 CB ILE A 64 15.534 -3.206 -3.801 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.634 -3.855 -5.194 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.451 -1.687 -3.943 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.858 -3.433 -6.006 1.00 0.00 C ATOM 0 H ILE A 64 15.723 -5.476 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 64 17.616 -3.304 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 64 14.617 -3.575 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.649 -4.938 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.736 -3.609 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.648 -1.429 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.249 -1.241 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.397 -1.305 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.846 -3.939 -6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.838 -2.354 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.765 -3.705 -5.465 1.00 0.00 H new