USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 71 LYS NZ :NH3+ -132:sc= -0.511 (180deg=-0.782) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -112:sc= -1.73 (180deg=-1.8) USER MOD Set 2.1: A 13 TYR OH : rot -48:sc= -5.64! USER MOD Set 2.2: A 34 THR OG1 : rot 91:sc= 1.67 USER MOD Single : A 2 SER OG : rot -24:sc= -3.09! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -0.432 (180deg=-0.849) USER MOD Single : A 21 ASN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.39! C(o=-3.4!,f=-3.1!) USER MOD Single : A 24 SER OG : rot -85:sc= 0.318 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.1! K(o=-3.1!,f=-1.3) USER MOD Single : A 38 SER OG : rot 12:sc= -1.04 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.103 X(o=0.1,f=-0.0055) USER MOD Single : A 74 SER OG : rot 180:sc= -0.178 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.109 7.748 5.971 1.00 0.00 N ATOM 41 CA SER A 2 10.729 8.933 6.616 1.00 0.00 C ATOM 42 C SER A 2 12.085 8.501 7.235 1.00 0.00 C ATOM 43 O SER A 2 13.077 8.568 6.537 1.00 0.00 O ATOM 44 CB SER A 2 9.736 9.554 7.607 1.00 0.00 C ATOM 45 OG SER A 2 8.917 8.535 8.165 1.00 0.00 O ATOM 0 HA SER A 2 10.954 9.722 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.275 10.075 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.117 10.295 7.101 1.00 0.00 H new ATOM 0 HG SER A 2 8.889 7.767 7.556 1.00 0.00 H new ATOM 51 N PRO A 3 12.146 8.026 8.474 1.00 0.00 N ATOM 52 CA PRO A 3 13.441 7.564 9.022 1.00 0.00 C ATOM 53 C PRO A 3 13.853 6.263 8.312 1.00 0.00 C ATOM 54 O PRO A 3 14.889 6.174 7.682 1.00 0.00 O ATOM 55 CB PRO A 3 13.165 7.275 10.502 1.00 0.00 C ATOM 56 CG PRO A 3 11.635 7.358 10.714 1.00 0.00 C ATOM 57 CD PRO A 3 11.014 7.914 9.423 1.00 0.00 C ATOM 0 HA PRO A 3 14.238 8.295 8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.537 6.288 10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.680 7.997 11.136 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.226 6.373 10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.401 8.004 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.240 7.249 9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.545 8.883 9.595 1.00 0.00 H new ATOM 65 N GLU A 4 13.028 5.259 8.430 1.00 0.00 N ATOM 66 CA GLU A 4 13.290 3.935 7.803 1.00 0.00 C ATOM 67 C GLU A 4 12.252 2.993 8.379 1.00 0.00 C ATOM 68 O GLU A 4 12.555 2.051 9.084 1.00 0.00 O ATOM 69 CB GLU A 4 14.702 3.450 8.144 1.00 0.00 C ATOM 70 CG GLU A 4 14.992 3.705 9.623 1.00 0.00 C ATOM 71 CD GLU A 4 16.451 3.356 9.920 1.00 0.00 C ATOM 72 OE1 GLU A 4 17.321 4.030 9.392 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.675 2.419 10.668 1.00 0.00 O ATOM 0 H GLU A 4 12.154 5.306 8.954 1.00 0.00 H new ATOM 0 HA GLU A 4 13.225 3.987 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.795 2.387 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.434 3.969 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.799 4.749 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.329 3.104 10.244 1.00 0.00 H new ATOM 80 N GLU A 5 11.012 3.282 8.107 1.00 0.00 N ATOM 81 CA GLU A 5 9.912 2.462 8.661 1.00 0.00 C ATOM 82 C GLU A 5 8.979 2.004 7.546 1.00 0.00 C ATOM 83 O GLU A 5 8.068 1.233 7.771 1.00 0.00 O ATOM 84 CB GLU A 5 9.137 3.309 9.647 1.00 0.00 C ATOM 85 CG GLU A 5 9.236 2.696 11.044 1.00 0.00 C ATOM 86 CD GLU A 5 8.947 3.770 12.095 1.00 0.00 C ATOM 87 OE1 GLU A 5 7.896 4.385 12.011 1.00 0.00 O ATOM 88 OE2 GLU A 5 9.781 3.961 12.964 1.00 0.00 O ATOM 0 H GLU A 5 10.715 4.060 7.518 1.00 0.00 H new ATOM 0 HA GLU A 5 10.324 1.581 9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.531 4.325 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.093 3.375 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.526 1.875 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.231 2.278 11.200 1.00 0.00 H new ATOM 95 N LEU A 6 9.200 2.451 6.344 1.00 0.00 N ATOM 96 CA LEU A 6 8.323 2.012 5.237 1.00 0.00 C ATOM 97 C LEU A 6 8.784 0.636 4.779 1.00 0.00 C ATOM 98 O LEU A 6 7.983 -0.228 4.494 1.00 0.00 O ATOM 99 CB LEU A 6 8.366 3.031 4.090 1.00 0.00 C ATOM 100 CG LEU A 6 8.459 2.329 2.742 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.283 1.369 2.570 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.442 3.354 1.612 1.00 0.00 C ATOM 0 H LEU A 6 9.946 3.097 6.085 1.00 0.00 H new ATOM 0 HA LEU A 6 7.288 1.949 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.473 3.655 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.222 3.694 4.219 1.00 0.00 H new ATOM 0 HG LEU A 6 9.394 1.769 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.358 0.871 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.303 0.623 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.348 1.927 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.509 2.840 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.515 3.926 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.290 4.030 1.721 1.00 0.00 H new ATOM 114 N LYS A 7 10.062 0.411 4.705 1.00 0.00 N ATOM 115 CA LYS A 7 10.502 -0.935 4.254 1.00 0.00 C ATOM 116 C LYS A 7 9.879 -1.983 5.172 1.00 0.00 C ATOM 117 O LYS A 7 9.781 -3.145 4.832 1.00 0.00 O ATOM 118 CB LYS A 7 12.022 -1.057 4.274 1.00 0.00 C ATOM 119 CG LYS A 7 12.434 -2.066 3.200 1.00 0.00 C ATOM 120 CD LYS A 7 13.930 -2.365 3.320 1.00 0.00 C ATOM 121 CE LYS A 7 14.605 -2.135 1.967 1.00 0.00 C ATOM 122 NZ LYS A 7 14.938 -0.691 1.819 1.00 0.00 N ATOM 0 H LYS A 7 10.802 1.077 4.929 1.00 0.00 H new ATOM 0 HA LYS A 7 10.175 -1.091 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.484 -0.088 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.364 -1.385 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.859 -2.986 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.211 -1.669 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.381 -1.723 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.081 -3.395 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.510 -2.738 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.944 -2.452 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.397 -0.533 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.066 -0.126 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.584 -0.404 2.582 1.00 0.00 H new ATOM 136 N GLY A 8 9.436 -1.574 6.331 1.00 0.00 N ATOM 137 CA GLY A 8 8.798 -2.539 7.264 1.00 0.00 C ATOM 138 C GLY A 8 7.391 -2.864 6.759 1.00 0.00 C ATOM 139 O GLY A 8 6.958 -3.998 6.795 1.00 0.00 O ATOM 0 H GLY A 8 9.490 -0.613 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.394 -3.449 7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.750 -2.116 8.268 1.00 0.00 H new ATOM 143 N ILE A 9 6.670 -1.879 6.286 1.00 0.00 N ATOM 144 CA ILE A 9 5.299 -2.147 5.783 1.00 0.00 C ATOM 145 C ILE A 9 5.361 -3.156 4.638 1.00 0.00 C ATOM 146 O ILE A 9 4.728 -4.183 4.678 1.00 0.00 O ATOM 147 CB ILE A 9 4.648 -0.843 5.321 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.150 -0.998 5.428 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.003 -0.507 3.880 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.605 0.051 6.392 1.00 0.00 C ATOM 0 H ILE A 9 6.974 -0.907 6.229 1.00 0.00 H new ATOM 0 HA ILE A 9 4.693 -2.567 6.586 1.00 0.00 H new ATOM 0 HB ILE A 9 5.015 -0.034 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.689 -0.882 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.900 -1.998 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.519 0.427 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.084 -0.399 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.661 -1.308 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.523 -0.056 6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.058 -0.087 7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.844 1.047 6.019 1.00 0.00 H new ATOM 162 N PHE A 10 6.133 -2.896 3.630 1.00 0.00 N ATOM 163 CA PHE A 10 6.228 -3.888 2.532 1.00 0.00 C ATOM 164 C PHE A 10 6.438 -5.310 3.070 1.00 0.00 C ATOM 165 O PHE A 10 5.535 -6.114 3.108 1.00 0.00 O ATOM 166 CB PHE A 10 7.359 -3.519 1.563 1.00 0.00 C ATOM 167 CG PHE A 10 6.844 -3.282 0.175 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.550 -2.824 -0.082 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.686 -3.642 -0.880 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.103 -2.733 -1.413 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.252 -3.534 -2.193 1.00 0.00 C ATOM 172 CZ PHE A 10 5.965 -3.089 -2.467 1.00 0.00 C ATOM 0 H PHE A 10 6.696 -2.053 3.517 1.00 0.00 H new ATOM 0 HA PHE A 10 5.280 -3.868 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.867 -2.623 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.099 -4.319 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.899 -2.543 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.681 -4.007 -0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.101 -2.391 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.916 -3.796 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.626 -3.016 -3.490 1.00 0.00 H new ATOM 182 N GLU A 11 7.616 -5.634 3.488 1.00 0.00 N ATOM 183 CA GLU A 11 7.874 -7.009 4.018 1.00 0.00 C ATOM 184 C GLU A 11 6.739 -7.433 4.960 1.00 0.00 C ATOM 185 O GLU A 11 6.543 -8.600 5.229 1.00 0.00 O ATOM 186 CB GLU A 11 9.200 -7.014 4.778 1.00 0.00 C ATOM 187 CG GLU A 11 10.355 -7.099 3.780 1.00 0.00 C ATOM 188 CD GLU A 11 11.622 -7.550 4.504 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.519 -8.427 5.344 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.675 -7.009 4.206 1.00 0.00 O ATOM 0 H GLU A 11 8.423 -5.011 3.490 1.00 0.00 H new ATOM 0 HA GLU A 11 7.923 -7.712 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.290 -6.110 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.235 -7.859 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.110 -7.801 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.517 -6.128 3.312 1.00 0.00 H new ATOM 197 N LYS A 12 5.994 -6.493 5.458 1.00 0.00 N ATOM 198 CA LYS A 12 4.864 -6.825 6.377 1.00 0.00 C ATOM 199 C LYS A 12 3.640 -7.224 5.548 1.00 0.00 C ATOM 200 O LYS A 12 3.352 -8.391 5.368 1.00 0.00 O ATOM 201 CB LYS A 12 4.526 -5.606 7.241 1.00 0.00 C ATOM 202 CG LYS A 12 3.318 -5.922 8.125 1.00 0.00 C ATOM 203 CD LYS A 12 3.790 -6.192 9.553 1.00 0.00 C ATOM 204 CE LYS A 12 3.015 -7.376 10.131 1.00 0.00 C ATOM 205 NZ LYS A 12 3.367 -7.542 11.570 1.00 0.00 N ATOM 0 H LYS A 12 6.116 -5.498 5.269 1.00 0.00 H new ATOM 0 HA LYS A 12 5.152 -7.653 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.382 -5.338 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.310 -4.747 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.617 -5.087 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.786 -6.790 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.859 -6.405 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.638 -5.307 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.943 -7.210 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.254 -8.285 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.841 -8.347 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.388 -7.718 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.118 -6.677 12.090 1.00 0.00 H new ATOM 219 N TYR A 13 2.921 -6.257 5.038 1.00 0.00 N ATOM 220 CA TYR A 13 1.720 -6.564 4.218 1.00 0.00 C ATOM 221 C TYR A 13 2.165 -6.981 2.817 1.00 0.00 C ATOM 222 O TYR A 13 1.593 -7.872 2.222 1.00 0.00 O ATOM 223 CB TYR A 13 0.824 -5.324 4.143 1.00 0.00 C ATOM 224 CG TYR A 13 0.534 -4.859 5.544 1.00 0.00 C ATOM 225 CD1 TYR A 13 -0.190 -5.680 6.412 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.998 -3.617 5.976 1.00 0.00 C ATOM 227 CE1 TYR A 13 -0.447 -5.259 7.718 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.740 -3.191 7.282 1.00 0.00 C ATOM 229 CZ TYR A 13 0.018 -4.014 8.153 1.00 0.00 C ATOM 230 OH TYR A 13 -0.231 -3.601 9.442 1.00 0.00 O ATOM 0 H TYR A 13 3.119 -5.264 5.157 1.00 0.00 H new ATOM 0 HA TYR A 13 1.156 -7.379 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.317 -4.534 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.104 -5.558 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.551 -6.640 6.073 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.556 -2.985 5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.004 -5.894 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.097 -2.229 7.618 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.177 -3.745 9.655 1.00 0.00 H new ATOM 240 N ALA A 14 3.200 -6.380 2.287 1.00 0.00 N ATOM 241 CA ALA A 14 3.661 -6.815 0.940 1.00 0.00 C ATOM 242 C ALA A 14 4.007 -8.300 1.043 1.00 0.00 C ATOM 243 O ALA A 14 4.019 -9.021 0.065 1.00 0.00 O ATOM 244 CB ALA A 14 4.913 -6.026 0.512 1.00 0.00 C ATOM 0 H ALA A 14 3.733 -5.625 2.718 1.00 0.00 H new ATOM 0 HA ALA A 14 2.882 -6.636 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.233 -6.359 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.678 -4.962 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.714 -6.197 1.231 1.00 0.00 H new ATOM 250 N ASP A 15 4.304 -8.756 2.239 1.00 0.00 N ATOM 251 CA ASP A 15 4.669 -10.187 2.426 1.00 0.00 C ATOM 252 C ASP A 15 3.407 -11.011 2.716 1.00 0.00 C ATOM 253 O ASP A 15 3.381 -12.209 2.518 1.00 0.00 O ATOM 254 CB ASP A 15 5.640 -10.339 3.605 1.00 0.00 C ATOM 255 CG ASP A 15 6.107 -11.794 3.693 1.00 0.00 C ATOM 256 OD1 ASP A 15 5.987 -12.495 2.703 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.577 -12.182 4.751 1.00 0.00 O ATOM 0 H ASP A 15 4.308 -8.194 3.090 1.00 0.00 H new ATOM 0 HA ASP A 15 5.146 -10.544 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.496 -9.678 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.151 -10.045 4.534 1.00 0.00 H new ATOM 262 N LYS A 16 2.364 -10.380 3.199 1.00 0.00 N ATOM 263 CA LYS A 16 1.115 -11.132 3.519 1.00 0.00 C ATOM 264 C LYS A 16 0.568 -11.803 2.259 1.00 0.00 C ATOM 265 O LYS A 16 -0.070 -12.835 2.324 1.00 0.00 O ATOM 266 CB LYS A 16 0.069 -10.165 4.077 1.00 0.00 C ATOM 267 CG LYS A 16 -0.559 -10.764 5.338 1.00 0.00 C ATOM 268 CD LYS A 16 -0.261 -9.858 6.535 1.00 0.00 C ATOM 269 CE LYS A 16 -0.892 -10.441 7.805 1.00 0.00 C ATOM 270 NZ LYS A 16 -2.095 -11.245 7.447 1.00 0.00 N ATOM 0 H LYS A 16 2.326 -9.378 3.385 1.00 0.00 H new ATOM 0 HA LYS A 16 1.340 -11.899 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.532 -9.206 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.701 -9.975 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.636 -10.869 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.161 -11.763 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.816 -9.759 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.653 -8.858 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.168 -11.066 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.170 -9.637 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.605 -11.511 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.720 -10.681 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.800 -12.105 6.942 1.00 0.00 H new ATOM 284 N GLU A 17 0.809 -11.232 1.113 1.00 0.00 N ATOM 285 CA GLU A 17 0.301 -11.847 -0.139 1.00 0.00 C ATOM 286 C GLU A 17 1.229 -13.001 -0.523 1.00 0.00 C ATOM 287 O GLU A 17 0.849 -13.910 -1.235 1.00 0.00 O ATOM 288 CB GLU A 17 0.260 -10.773 -1.232 1.00 0.00 C ATOM 289 CG GLU A 17 0.642 -11.351 -2.598 1.00 0.00 C ATOM 290 CD GLU A 17 -0.428 -12.346 -3.051 1.00 0.00 C ATOM 291 OE1 GLU A 17 -1.416 -12.480 -2.349 1.00 0.00 O ATOM 292 OE2 GLU A 17 -0.243 -12.954 -4.091 1.00 0.00 O ATOM 0 H GLU A 17 1.335 -10.367 0.991 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.707 -12.241 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.740 -10.343 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.942 -9.963 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.740 -10.549 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.611 -11.846 -2.537 1.00 0.00 H new ATOM 299 N GLY A 18 2.444 -12.973 -0.047 1.00 0.00 N ATOM 300 CA GLY A 18 3.396 -14.069 -0.372 1.00 0.00 C ATOM 301 C GLY A 18 4.702 -13.482 -0.907 1.00 0.00 C ATOM 302 O GLY A 18 5.171 -13.859 -1.962 1.00 0.00 O ATOM 0 H GLY A 18 2.817 -12.237 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.593 -14.667 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.956 -14.736 -1.113 1.00 0.00 H new ATOM 306 N ASP A 19 5.302 -12.573 -0.185 1.00 0.00 N ATOM 307 CA ASP A 19 6.585 -11.985 -0.663 1.00 0.00 C ATOM 308 C ASP A 19 7.056 -10.866 0.273 1.00 0.00 C ATOM 309 O ASP A 19 7.876 -11.080 1.143 1.00 0.00 O ATOM 310 CB ASP A 19 6.405 -11.444 -2.083 1.00 0.00 C ATOM 311 CG ASP A 19 7.643 -11.789 -2.909 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.707 -11.289 -2.582 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.509 -12.551 -3.853 1.00 0.00 O ATOM 0 H ASP A 19 4.962 -12.215 0.708 1.00 0.00 H new ATOM 0 HA ASP A 19 7.346 -12.766 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.515 -11.876 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.258 -10.364 -2.058 1.00 0.00 H new ATOM 318 N GLY A 20 6.571 -9.675 0.083 1.00 0.00 N ATOM 319 CA GLY A 20 7.017 -8.536 0.937 1.00 0.00 C ATOM 320 C GLY A 20 7.606 -7.469 0.022 1.00 0.00 C ATOM 321 O GLY A 20 7.761 -6.323 0.397 1.00 0.00 O ATOM 0 H GLY A 20 5.881 -9.437 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.178 -8.132 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.760 -8.870 1.662 1.00 0.00 H new ATOM 325 N ASN A 21 7.940 -7.845 -1.185 1.00 0.00 N ATOM 326 CA ASN A 21 8.520 -6.875 -2.134 1.00 0.00 C ATOM 327 C ASN A 21 7.439 -6.334 -3.093 1.00 0.00 C ATOM 328 O ASN A 21 7.726 -5.556 -3.978 1.00 0.00 O ATOM 329 CB ASN A 21 9.618 -7.581 -2.931 1.00 0.00 C ATOM 330 CG ASN A 21 10.958 -7.420 -2.215 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.991 -7.307 -2.847 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.984 -7.409 -0.912 1.00 0.00 N ATOM 0 H ASN A 21 7.831 -8.792 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 21 8.933 -6.029 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.378 -8.639 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.679 -7.162 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.872 -7.305 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.117 -7.504 -0.384 1.00 0.00 H new ATOM 339 N GLN A 22 6.201 -6.720 -2.904 1.00 0.00 N ATOM 340 CA GLN A 22 5.091 -6.216 -3.771 1.00 0.00 C ATOM 341 C GLN A 22 3.805 -6.189 -2.938 1.00 0.00 C ATOM 342 O GLN A 22 3.701 -6.839 -1.919 1.00 0.00 O ATOM 343 CB GLN A 22 4.875 -7.115 -4.996 1.00 0.00 C ATOM 344 CG GLN A 22 6.212 -7.557 -5.590 1.00 0.00 C ATOM 345 CD GLN A 22 6.565 -8.941 -5.056 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.700 -9.777 -4.879 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.806 -9.222 -4.788 1.00 0.00 N ATOM 0 H GLN A 22 5.909 -7.372 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 22 5.353 -5.220 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.292 -7.991 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.298 -6.578 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.151 -7.579 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.993 -6.843 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.531 -8.520 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.054 -10.144 -4.429 1.00 0.00 H new ATOM 356 N LEU A 23 2.847 -5.411 -3.344 1.00 0.00 N ATOM 357 CA LEU A 23 1.587 -5.294 -2.558 1.00 0.00 C ATOM 358 C LEU A 23 0.355 -5.775 -3.338 1.00 0.00 C ATOM 359 O LEU A 23 0.455 -6.371 -4.378 1.00 0.00 O ATOM 360 CB LEU A 23 1.417 -3.822 -2.214 1.00 0.00 C ATOM 361 CG LEU A 23 1.850 -3.617 -0.774 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.858 -2.127 -0.445 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.880 -4.346 0.159 1.00 0.00 C ATOM 0 H LEU A 23 2.880 -4.846 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 23 1.662 -5.924 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.016 -3.204 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.378 -3.519 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 23 2.854 -4.018 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.169 -1.985 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.554 -1.612 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.857 -1.719 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.191 -4.199 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.125 -3.948 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.883 -5.411 -0.073 1.00 0.00 H new ATOM 375 N SER A 24 -0.812 -5.506 -2.813 1.00 0.00 N ATOM 376 CA SER A 24 -2.065 -5.890 -3.452 1.00 0.00 C ATOM 377 C SER A 24 -3.124 -4.936 -2.869 1.00 0.00 C ATOM 378 O SER A 24 -2.893 -4.321 -1.848 1.00 0.00 O ATOM 379 CB SER A 24 -2.389 -7.334 -3.084 1.00 0.00 C ATOM 380 OG SER A 24 -1.336 -8.180 -3.527 1.00 0.00 O ATOM 0 H SER A 24 -0.931 -5.013 -1.928 1.00 0.00 H new ATOM 0 HA SER A 24 -2.023 -5.824 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.516 -7.427 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.331 -7.636 -3.543 1.00 0.00 H new ATOM 0 HG SER A 24 -1.482 -8.420 -4.466 1.00 0.00 H new ATOM 386 N LYS A 25 -4.261 -4.784 -3.481 1.00 0.00 N ATOM 387 CA LYS A 25 -5.276 -3.852 -2.914 1.00 0.00 C ATOM 388 C LYS A 25 -5.799 -4.404 -1.593 1.00 0.00 C ATOM 389 O LYS A 25 -6.304 -3.679 -0.759 1.00 0.00 O ATOM 390 CB LYS A 25 -6.438 -3.699 -3.884 1.00 0.00 C ATOM 391 CG LYS A 25 -7.081 -2.326 -3.681 1.00 0.00 C ATOM 392 CD LYS A 25 -7.674 -1.840 -5.004 1.00 0.00 C ATOM 393 CE LYS A 25 -8.522 -2.952 -5.623 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.645 -2.347 -6.393 1.00 0.00 N ATOM 0 H LYS A 25 -4.533 -5.259 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.810 -2.881 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.087 -3.802 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.173 -4.487 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.860 -2.386 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.338 -1.615 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.285 -0.953 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.876 -1.553 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.909 -3.570 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.912 -3.605 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.223 -3.102 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.235 -1.775 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.262 -1.742 -7.147 1.00 0.00 H new ATOM 408 N GLU A 26 -5.688 -5.683 -1.401 1.00 0.00 N ATOM 409 CA GLU A 26 -6.186 -6.291 -0.137 1.00 0.00 C ATOM 410 C GLU A 26 -5.164 -6.065 0.979 1.00 0.00 C ATOM 411 O GLU A 26 -5.327 -6.545 2.083 1.00 0.00 O ATOM 412 CB GLU A 26 -6.384 -7.792 -0.344 1.00 0.00 C ATOM 413 CG GLU A 26 -7.589 -8.266 0.469 1.00 0.00 C ATOM 414 CD GLU A 26 -7.902 -9.720 0.112 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.000 -10.402 -0.347 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.036 -10.126 0.302 1.00 0.00 O ATOM 0 H GLU A 26 -5.274 -6.338 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.133 -5.829 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.539 -8.006 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.489 -8.333 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.379 -8.179 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.453 -7.635 0.261 1.00 0.00 H new ATOM 423 N GLU A 27 -4.104 -5.354 0.703 1.00 0.00 N ATOM 424 CA GLU A 27 -3.077 -5.125 1.760 1.00 0.00 C ATOM 425 C GLU A 27 -2.626 -3.661 1.776 1.00 0.00 C ATOM 426 O GLU A 27 -1.693 -3.304 2.468 1.00 0.00 O ATOM 427 CB GLU A 27 -1.874 -6.030 1.486 1.00 0.00 C ATOM 428 CG GLU A 27 -2.233 -7.477 1.831 1.00 0.00 C ATOM 429 CD GLU A 27 -2.314 -7.640 3.351 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.398 -7.195 4.025 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.289 -8.209 3.815 1.00 0.00 O ATOM 0 H GLU A 27 -3.905 -4.925 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.511 -5.358 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.582 -5.957 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.019 -5.705 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.187 -7.744 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.484 -8.155 1.422 1.00 0.00 H new ATOM 438 N LEU A 28 -3.282 -2.803 1.047 1.00 0.00 N ATOM 439 CA LEU A 28 -2.894 -1.377 1.053 1.00 0.00 C ATOM 440 C LEU A 28 -3.760 -0.687 2.111 1.00 0.00 C ATOM 441 O LEU A 28 -3.349 0.242 2.779 1.00 0.00 O ATOM 442 CB LEU A 28 -3.124 -0.825 -0.358 1.00 0.00 C ATOM 443 CG LEU A 28 -3.841 0.524 -0.322 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.898 1.597 0.228 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.277 0.904 -1.739 1.00 0.00 C ATOM 0 H LEU A 28 -4.073 -3.035 0.446 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.846 -1.212 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.167 -0.716 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.714 -1.536 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.716 0.451 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.414 2.557 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.588 1.326 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.020 1.673 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.789 1.866 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.400 0.974 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.953 0.143 -2.128 1.00 0.00 H new ATOM 457 N LYS A 29 -4.945 -1.191 2.285 1.00 0.00 N ATOM 458 CA LYS A 29 -5.871 -0.689 3.286 1.00 0.00 C ATOM 459 C LYS A 29 -5.270 -0.919 4.672 1.00 0.00 C ATOM 460 O LYS A 29 -5.244 -0.042 5.509 1.00 0.00 O ATOM 461 CB LYS A 29 -7.110 -1.520 3.121 1.00 0.00 C ATOM 462 CG LYS A 29 -8.034 -1.151 4.231 1.00 0.00 C ATOM 463 CD LYS A 29 -9.462 -1.471 3.825 1.00 0.00 C ATOM 464 CE LYS A 29 -10.298 -1.816 5.077 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.723 -1.997 4.681 1.00 0.00 N ATOM 0 H LYS A 29 -5.310 -1.970 1.737 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.079 0.375 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.575 -1.331 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.869 -2.582 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.770 -1.698 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.939 -0.090 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.902 -0.619 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.472 -2.309 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.919 -2.726 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.212 -1.020 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.290 -2.230 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.079 -1.118 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.796 -2.770 3.990 1.00 0.00 H new ATOM 479 N LEU A 30 -4.777 -2.103 4.914 1.00 0.00 N ATOM 480 CA LEU A 30 -4.164 -2.399 6.242 1.00 0.00 C ATOM 481 C LEU A 30 -3.086 -1.354 6.546 1.00 0.00 C ATOM 482 O LEU A 30 -2.766 -1.086 7.683 1.00 0.00 O ATOM 483 CB LEU A 30 -3.524 -3.788 6.212 1.00 0.00 C ATOM 484 CG LEU A 30 -4.560 -4.825 5.776 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.845 -6.045 5.196 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.394 -5.248 6.987 1.00 0.00 C ATOM 0 H LEU A 30 -4.772 -2.878 4.251 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.935 -2.369 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.678 -3.794 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.135 -4.041 7.198 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.213 -4.393 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.582 -6.785 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.249 -5.742 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.193 -6.479 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.133 -5.987 6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.741 -5.681 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.902 -4.377 7.401 1.00 0.00 H new ATOM 498 N LEU A 31 -2.512 -0.777 5.533 1.00 0.00 N ATOM 499 CA LEU A 31 -1.446 0.241 5.750 1.00 0.00 C ATOM 500 C LEU A 31 -1.996 1.459 6.511 1.00 0.00 C ATOM 501 O LEU A 31 -1.614 1.719 7.635 1.00 0.00 O ATOM 502 CB LEU A 31 -0.912 0.708 4.395 1.00 0.00 C ATOM 503 CG LEU A 31 -0.682 -0.496 3.479 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.148 -0.063 2.269 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.069 -1.583 4.245 1.00 0.00 C ATOM 0 H LEU A 31 -2.735 -0.966 4.556 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.650 -0.214 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.620 1.396 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.021 1.255 4.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.643 -0.885 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.313 -0.920 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.385 0.714 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.109 0.326 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.233 -2.441 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.030 -1.194 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.519 -1.892 5.109 1.00 0.00 H new ATOM 517 N LEU A 32 -2.859 2.230 5.896 1.00 0.00 N ATOM 518 CA LEU A 32 -3.384 3.450 6.585 1.00 0.00 C ATOM 519 C LEU A 32 -4.055 3.075 7.910 1.00 0.00 C ATOM 520 O LEU A 32 -3.950 3.802 8.864 1.00 0.00 O ATOM 521 CB LEU A 32 -4.378 4.248 5.721 1.00 0.00 C ATOM 522 CG LEU A 32 -4.507 3.675 4.312 1.00 0.00 C ATOM 523 CD1 LEU A 32 -3.139 3.624 3.623 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.136 2.289 4.397 1.00 0.00 C ATOM 0 H LEU A 32 -3.220 2.070 4.956 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.520 4.089 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.356 4.248 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.052 5.286 5.661 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.148 4.319 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.252 3.213 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.727 4.631 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.464 2.992 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.232 1.871 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.504 1.639 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.122 2.364 4.855 1.00 0.00 H new ATOM 536 N GLN A 33 -4.757 1.971 7.973 1.00 0.00 N ATOM 537 CA GLN A 33 -5.441 1.577 9.277 1.00 0.00 C ATOM 538 C GLN A 33 -4.440 1.044 10.302 1.00 0.00 C ATOM 539 O GLN A 33 -4.278 1.626 11.356 1.00 0.00 O ATOM 540 CB GLN A 33 -6.493 0.487 9.021 1.00 0.00 C ATOM 541 CG GLN A 33 -7.529 0.956 7.995 1.00 0.00 C ATOM 542 CD GLN A 33 -8.815 0.144 8.164 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.730 0.570 8.838 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.924 -1.017 7.576 1.00 0.00 N ATOM 0 H GLN A 33 -4.894 1.323 7.197 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.912 2.477 9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.004 -0.419 8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.992 0.231 9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.736 2.018 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.138 0.833 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.156 -1.376 7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.778 -1.565 7.683 1.00 0.00 H new ATOM 553 N THR A 34 -3.808 -0.067 10.034 1.00 0.00 N ATOM 554 CA THR A 34 -2.844 -0.648 11.022 1.00 0.00 C ATOM 555 C THR A 34 -2.111 0.472 11.761 1.00 0.00 C ATOM 556 O THR A 34 -1.754 0.338 12.915 1.00 0.00 O ATOM 557 CB THR A 34 -1.816 -1.517 10.299 1.00 0.00 C ATOM 558 OG1 THR A 34 -2.452 -2.681 9.789 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.718 -1.920 11.286 1.00 0.00 C ATOM 0 H THR A 34 -3.916 -0.601 9.172 1.00 0.00 H new ATOM 0 HA THR A 34 -3.403 -1.254 11.735 1.00 0.00 H new ATOM 0 HB THR A 34 -1.377 -0.958 9.473 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.760 -2.511 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.019 -2.541 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.232 -1.025 11.675 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.158 -2.482 12.110 1.00 0.00 H new ATOM 567 N GLU A 35 -1.892 1.577 11.107 1.00 0.00 N ATOM 568 CA GLU A 35 -1.189 2.706 11.770 1.00 0.00 C ATOM 569 C GLU A 35 -2.171 3.860 11.984 1.00 0.00 C ATOM 570 O GLU A 35 -1.984 4.690 12.849 1.00 0.00 O ATOM 571 CB GLU A 35 -0.039 3.182 10.878 1.00 0.00 C ATOM 572 CG GLU A 35 1.023 2.086 10.777 1.00 0.00 C ATOM 573 CD GLU A 35 2.359 2.616 11.302 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.691 3.746 10.984 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.029 1.882 12.009 1.00 0.00 O ATOM 0 H GLU A 35 -2.170 1.746 10.140 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.796 2.376 12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.415 3.430 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.401 4.091 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.715 1.213 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.130 1.763 9.741 1.00 0.00 H new ATOM 582 N PHE A 36 -3.210 3.927 11.194 1.00 0.00 N ATOM 583 CA PHE A 36 -4.181 5.033 11.341 1.00 0.00 C ATOM 584 C PHE A 36 -5.525 4.673 10.696 1.00 0.00 C ATOM 585 O PHE A 36 -5.738 5.055 9.569 1.00 0.00 O ATOM 586 CB PHE A 36 -3.644 6.285 10.631 1.00 0.00 C ATOM 587 CG PHE A 36 -2.155 6.177 10.390 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.247 6.619 11.357 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.687 5.638 9.185 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.130 6.520 11.122 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.312 5.541 8.949 1.00 0.00 C ATOM 592 CZ PHE A 36 0.597 5.982 9.916 1.00 0.00 C ATOM 0 H PHE A 36 -3.422 3.258 10.454 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.322 5.215 12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.161 6.418 9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.855 7.168 11.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.608 7.037 12.285 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.388 5.297 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.831 6.858 11.870 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.048 5.125 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.659 5.908 9.733 1.00 0.00 H new ATOM 602 N PRO A 37 -6.408 4.016 11.459 1.00 0.00 N ATOM 603 CA PRO A 37 -7.765 3.645 11.051 1.00 0.00 C ATOM 604 C PRO A 37 -8.147 4.474 9.880 1.00 0.00 C ATOM 605 O PRO A 37 -8.845 5.456 9.919 1.00 0.00 O ATOM 606 CB PRO A 37 -8.568 3.866 12.312 1.00 0.00 C ATOM 607 CG PRO A 37 -7.544 3.620 13.446 1.00 0.00 C ATOM 608 CD PRO A 37 -6.142 3.618 12.799 1.00 0.00 C ATOM 0 HA PRO A 37 -7.912 2.622 10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.978 4.875 12.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.410 3.177 12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.616 4.398 14.206 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.740 2.670 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.466 4.311 13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.678 2.632 12.843 1.00 0.00 H new ATOM 616 N SER A 38 -7.531 4.052 8.867 1.00 0.00 N ATOM 617 CA SER A 38 -7.560 4.700 7.544 1.00 0.00 C ATOM 618 C SER A 38 -8.815 5.523 7.363 1.00 0.00 C ATOM 619 O SER A 38 -9.900 5.032 7.126 1.00 0.00 O ATOM 620 CB SER A 38 -7.532 3.599 6.485 1.00 0.00 C ATOM 621 OG SER A 38 -8.778 2.917 6.485 1.00 0.00 O ATOM 0 H SER A 38 -6.953 3.212 8.888 1.00 0.00 H new ATOM 0 HA SER A 38 -6.703 5.367 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.339 4.029 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.722 2.900 6.692 1.00 0.00 H new ATOM 0 HG SER A 38 -9.428 3.423 7.016 1.00 0.00 H new ATOM 627 N LEU A 39 -8.619 6.810 7.442 1.00 0.00 N ATOM 628 CA LEU A 39 -9.722 7.770 7.246 1.00 0.00 C ATOM 629 C LEU A 39 -9.928 7.923 5.735 1.00 0.00 C ATOM 630 O LEU A 39 -10.737 8.708 5.284 1.00 0.00 O ATOM 631 CB LEU A 39 -9.353 9.145 7.847 1.00 0.00 C ATOM 632 CG LEU A 39 -8.633 9.030 9.214 1.00 0.00 C ATOM 633 CD1 LEU A 39 -9.250 7.925 10.077 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.140 8.733 9.012 1.00 0.00 C ATOM 0 H LEU A 39 -7.715 7.239 7.640 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.626 7.411 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.712 9.681 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.259 9.738 7.968 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.752 9.985 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.723 7.870 11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.302 8.148 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.166 6.969 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.650 8.656 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.026 7.793 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.683 9.539 8.438 1.00 0.00 H new ATOM 646 N LEU A 40 -9.177 7.182 4.948 1.00 0.00 N ATOM 647 CA LEU A 40 -9.306 7.286 3.471 1.00 0.00 C ATOM 648 C LEU A 40 -10.706 6.869 3.015 1.00 0.00 C ATOM 649 O LEU A 40 -11.060 7.030 1.866 1.00 0.00 O ATOM 650 CB LEU A 40 -8.239 6.431 2.772 1.00 0.00 C ATOM 651 CG LEU A 40 -8.098 5.037 3.399 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.448 4.525 3.912 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.595 4.094 2.316 1.00 0.00 C ATOM 0 H LEU A 40 -8.482 6.511 5.274 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.152 8.328 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.495 6.327 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.279 6.945 2.818 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.409 5.086 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.319 3.536 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.834 5.210 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.153 4.465 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.483 3.092 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.310 4.070 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.631 4.444 1.948 1.00 0.00 H new ATOM 767 N GLU A 48 -8.690 4.621 -5.784 1.00 0.00 N ATOM 768 CA GLU A 48 -8.348 5.075 -7.153 1.00 0.00 C ATOM 769 C GLU A 48 -6.880 5.486 -7.134 1.00 0.00 C ATOM 770 O GLU A 48 -6.284 5.782 -8.151 1.00 0.00 O ATOM 771 CB GLU A 48 -9.220 6.264 -7.559 1.00 0.00 C ATOM 772 CG GLU A 48 -10.151 5.830 -8.689 1.00 0.00 C ATOM 773 CD GLU A 48 -10.984 7.025 -9.156 1.00 0.00 C ATOM 774 OE1 GLU A 48 -11.780 7.511 -8.368 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.813 7.434 -10.292 1.00 0.00 O ATOM 0 HA GLU A 48 -8.522 4.277 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.801 6.615 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.596 7.096 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.569 5.432 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.806 5.029 -8.347 1.00 0.00 H new ATOM 782 N LEU A 49 -6.285 5.461 -5.968 1.00 0.00 N ATOM 783 CA LEU A 49 -4.848 5.796 -5.846 1.00 0.00 C ATOM 784 C LEU A 49 -4.079 4.618 -6.423 1.00 0.00 C ATOM 785 O LEU A 49 -2.953 4.731 -6.867 1.00 0.00 O ATOM 786 CB LEU A 49 -4.510 5.960 -4.364 1.00 0.00 C ATOM 787 CG LEU A 49 -3.308 6.895 -4.199 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.510 7.783 -2.969 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.036 6.063 -4.017 1.00 0.00 C ATOM 0 H LEU A 49 -6.745 5.219 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.596 6.718 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.370 6.363 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.288 4.988 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.215 7.520 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.653 8.447 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.415 8.377 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.606 7.158 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.180 6.728 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.134 5.438 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.887 5.430 -4.892 1.00 0.00 H new ATOM 801 N PHE A 50 -4.718 3.481 -6.422 1.00 0.00 N ATOM 802 CA PHE A 50 -4.096 2.250 -6.969 1.00 0.00 C ATOM 803 C PHE A 50 -4.020 2.364 -8.492 1.00 0.00 C ATOM 804 O PHE A 50 -3.007 2.076 -9.099 1.00 0.00 O ATOM 805 CB PHE A 50 -4.977 1.063 -6.590 1.00 0.00 C ATOM 806 CG PHE A 50 -4.360 -0.215 -7.104 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.220 -0.742 -6.488 1.00 0.00 C ATOM 808 CD2 PHE A 50 -4.933 -0.873 -8.198 1.00 0.00 C ATOM 809 CE1 PHE A 50 -2.652 -1.929 -6.967 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.366 -2.057 -8.678 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.226 -2.587 -8.062 1.00 0.00 C ATOM 0 H PHE A 50 -5.662 3.354 -6.058 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.092 2.116 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.090 1.013 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.975 1.190 -7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.778 -0.234 -5.644 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.814 -0.466 -8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.772 -2.337 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.807 -2.563 -9.524 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.789 -3.503 -8.431 1.00 0.00 H new ATOM 821 N GLU A 51 -5.087 2.791 -9.110 1.00 0.00 N ATOM 822 CA GLU A 51 -5.087 2.935 -10.590 1.00 0.00 C ATOM 823 C GLU A 51 -4.370 4.231 -10.968 1.00 0.00 C ATOM 824 O GLU A 51 -4.022 4.453 -12.110 1.00 0.00 O ATOM 825 CB GLU A 51 -6.532 2.982 -11.093 1.00 0.00 C ATOM 826 CG GLU A 51 -6.559 2.707 -12.598 1.00 0.00 C ATOM 827 CD GLU A 51 -7.744 1.797 -12.930 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.913 0.803 -12.243 1.00 0.00 O ATOM 829 OE2 GLU A 51 -8.462 2.110 -13.865 1.00 0.00 O ATOM 0 H GLU A 51 -5.961 3.047 -8.650 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.573 2.088 -11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.135 2.242 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.970 3.958 -10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.641 3.644 -13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.627 2.236 -12.909 1.00 0.00 H new ATOM 836 N GLU A 52 -4.145 5.090 -10.011 1.00 0.00 N ATOM 837 CA GLU A 52 -3.448 6.370 -10.308 1.00 0.00 C ATOM 838 C GLU A 52 -1.964 6.093 -10.555 1.00 0.00 C ATOM 839 O GLU A 52 -1.246 6.920 -11.083 1.00 0.00 O ATOM 840 CB GLU A 52 -3.601 7.320 -9.118 1.00 0.00 C ATOM 841 CG GLU A 52 -4.408 8.547 -9.545 1.00 0.00 C ATOM 842 CD GLU A 52 -5.249 9.040 -8.366 1.00 0.00 C ATOM 843 OE1 GLU A 52 -5.899 8.216 -7.743 1.00 0.00 O ATOM 844 OE2 GLU A 52 -5.228 10.231 -8.107 1.00 0.00 O ATOM 0 H GLU A 52 -4.415 4.959 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.885 6.828 -11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.102 6.811 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.620 7.625 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.737 9.337 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.054 8.296 -10.386 1.00 0.00 H new ATOM 851 N LEU A 53 -1.499 4.932 -10.181 1.00 0.00 N ATOM 852 CA LEU A 53 -0.062 4.600 -10.400 1.00 0.00 C ATOM 853 C LEU A 53 0.051 3.588 -11.549 1.00 0.00 C ATOM 854 O LEU A 53 -0.462 3.815 -12.628 1.00 0.00 O ATOM 855 CB LEU A 53 0.525 4.015 -9.112 1.00 0.00 C ATOM 856 CG LEU A 53 0.361 5.022 -7.971 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.223 4.273 -6.645 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.591 5.931 -7.914 1.00 0.00 C ATOM 0 H LEU A 53 -2.051 4.200 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 53 0.495 5.499 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.021 3.081 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.580 3.780 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.531 5.624 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.106 4.990 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.651 3.623 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.115 3.671 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.476 6.649 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.482 5.327 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.693 6.465 -8.859 1.00 0.00 H new ATOM 870 N ASP A 54 0.714 2.478 -11.344 1.00 0.00 N ATOM 871 CA ASP A 54 0.843 1.480 -12.445 1.00 0.00 C ATOM 872 C ASP A 54 -0.027 0.256 -12.145 1.00 0.00 C ATOM 873 O ASP A 54 -0.283 -0.074 -11.004 1.00 0.00 O ATOM 874 CB ASP A 54 2.306 1.045 -12.565 1.00 0.00 C ATOM 875 CG ASP A 54 2.670 0.874 -14.042 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.153 1.626 -14.851 1.00 0.00 O ATOM 877 OD2 ASP A 54 3.463 -0.006 -14.338 1.00 0.00 O ATOM 0 H ASP A 54 1.168 2.222 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 54 0.514 1.933 -13.380 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.956 1.788 -12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.463 0.108 -12.030 1.00 0.00 H new ATOM 882 N LYS A 55 -0.477 -0.424 -13.165 1.00 0.00 N ATOM 883 CA LYS A 55 -1.324 -1.633 -12.947 1.00 0.00 C ATOM 884 C LYS A 55 -0.527 -2.879 -13.342 1.00 0.00 C ATOM 885 O LYS A 55 0.383 -2.813 -14.146 1.00 0.00 O ATOM 886 CB LYS A 55 -2.586 -1.539 -13.811 1.00 0.00 C ATOM 887 CG LYS A 55 -3.640 -0.694 -13.091 1.00 0.00 C ATOM 888 CD LYS A 55 -4.981 -1.437 -13.082 1.00 0.00 C ATOM 889 CE LYS A 55 -5.294 -1.968 -14.503 1.00 0.00 C ATOM 890 NZ LYS A 55 -6.736 -2.338 -14.582 1.00 0.00 N ATOM 0 H LYS A 55 -0.294 -0.194 -14.142 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.611 -1.696 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.346 -1.093 -14.776 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.978 -2.536 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.320 -0.489 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.750 0.269 -13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.944 -2.265 -12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.776 -0.769 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.060 -1.207 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.671 -2.834 -14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.951 -2.695 -15.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.944 -3.077 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.321 -1.500 -14.386 1.00 0.00 H new ATOM 904 N ASN A 56 -0.854 -4.014 -12.788 1.00 0.00 N ATOM 905 CA ASN A 56 -0.106 -5.251 -13.142 1.00 0.00 C ATOM 906 C ASN A 56 -1.077 -6.280 -13.721 1.00 0.00 C ATOM 907 O ASN A 56 -0.746 -7.024 -14.623 1.00 0.00 O ATOM 908 CB ASN A 56 0.561 -5.823 -11.889 1.00 0.00 C ATOM 909 CG ASN A 56 1.816 -6.594 -12.289 1.00 0.00 C ATOM 910 OD1 ASN A 56 2.902 -6.298 -11.833 1.00 0.00 O ATOM 911 ND2 ASN A 56 1.705 -7.580 -13.128 1.00 0.00 N ATOM 0 H ASN A 56 -1.604 -4.137 -12.108 1.00 0.00 H new ATOM 0 HA ASN A 56 0.660 -5.016 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.819 -5.018 -11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.131 -6.481 -11.363 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.532 -8.109 -13.406 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.791 -7.825 -13.509 1.00 0.00 H new ATOM 918 N GLY A 57 -2.273 -6.331 -13.206 1.00 0.00 N ATOM 919 CA GLY A 57 -3.266 -7.312 -13.722 1.00 0.00 C ATOM 920 C GLY A 57 -3.019 -8.669 -13.069 1.00 0.00 C ATOM 921 O GLY A 57 -3.525 -9.684 -13.505 1.00 0.00 O ATOM 0 H GLY A 57 -2.606 -5.734 -12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.278 -6.970 -13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.182 -7.396 -14.806 1.00 0.00 H new ATOM 925 N ASP A 58 -2.257 -8.689 -12.013 1.00 0.00 N ATOM 926 CA ASP A 58 -1.985 -9.968 -11.310 1.00 0.00 C ATOM 927 C ASP A 58 -2.473 -9.832 -9.873 1.00 0.00 C ATOM 928 O ASP A 58 -2.236 -10.683 -9.041 1.00 0.00 O ATOM 929 CB ASP A 58 -0.484 -10.255 -11.318 1.00 0.00 C ATOM 930 CG ASP A 58 -0.211 -11.521 -12.131 1.00 0.00 C ATOM 931 OD1 ASP A 58 -0.634 -11.570 -13.273 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.417 -12.421 -11.596 1.00 0.00 O ATOM 0 H ASP A 58 -1.809 -7.868 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.500 -10.789 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.056 -9.411 -11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.121 -10.380 -10.298 1.00 0.00 H new ATOM 937 N GLY A 59 -3.158 -8.759 -9.578 1.00 0.00 N ATOM 938 CA GLY A 59 -3.662 -8.565 -8.196 1.00 0.00 C ATOM 939 C GLY A 59 -2.514 -8.121 -7.288 1.00 0.00 C ATOM 940 O GLY A 59 -2.561 -8.290 -6.085 1.00 0.00 O ATOM 0 H GLY A 59 -3.387 -8.013 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.455 -7.817 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.096 -9.493 -7.823 1.00 0.00 H new ATOM 944 N GLU A 60 -1.479 -7.558 -7.852 1.00 0.00 N ATOM 945 CA GLU A 60 -0.330 -7.108 -7.015 1.00 0.00 C ATOM 946 C GLU A 60 0.201 -5.779 -7.542 1.00 0.00 C ATOM 947 O GLU A 60 -0.118 -5.351 -8.633 1.00 0.00 O ATOM 948 CB GLU A 60 0.792 -8.148 -7.083 1.00 0.00 C ATOM 949 CG GLU A 60 1.570 -8.169 -5.766 1.00 0.00 C ATOM 950 CD GLU A 60 2.670 -9.229 -5.836 1.00 0.00 C ATOM 951 OE1 GLU A 60 3.616 -9.024 -6.579 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.553 -10.225 -5.141 1.00 0.00 O ATOM 0 H GLU A 60 -1.380 -7.391 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.666 -6.989 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.373 -9.134 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.465 -7.915 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.007 -7.189 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.896 -8.385 -4.937 1.00 0.00 H new ATOM 959 N VAL A 61 1.028 -5.140 -6.774 1.00 0.00 N ATOM 960 CA VAL A 61 1.618 -3.853 -7.203 1.00 0.00 C ATOM 961 C VAL A 61 3.129 -3.948 -6.982 1.00 0.00 C ATOM 962 O VAL A 61 3.688 -5.027 -7.008 1.00 0.00 O ATOM 963 CB VAL A 61 0.990 -2.709 -6.386 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.770 -2.457 -5.088 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.980 -1.438 -7.232 1.00 0.00 C ATOM 0 H VAL A 61 1.324 -5.461 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 61 1.421 -3.647 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.028 -2.993 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.301 -1.644 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.765 -3.361 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.798 -2.187 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.536 -0.623 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.002 -1.175 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.395 -1.607 -8.136 1.00 0.00 H new ATOM 975 N SER A 62 3.806 -2.861 -6.760 1.00 0.00 N ATOM 976 CA SER A 62 5.273 -2.967 -6.538 1.00 0.00 C ATOM 977 C SER A 62 5.748 -1.819 -5.633 1.00 0.00 C ATOM 978 O SER A 62 5.048 -0.849 -5.420 1.00 0.00 O ATOM 979 CB SER A 62 5.996 -2.901 -7.889 1.00 0.00 C ATOM 980 OG SER A 62 5.712 -1.652 -8.520 1.00 0.00 O ATOM 0 H SER A 62 3.418 -1.919 -6.723 1.00 0.00 H new ATOM 0 HA SER A 62 5.500 -3.916 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.071 -3.011 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.674 -3.724 -8.527 1.00 0.00 H new ATOM 0 HG SER A 62 6.175 -1.608 -9.383 1.00 0.00 H new ATOM 986 N PHE A 63 6.939 -1.930 -5.106 1.00 0.00 N ATOM 987 CA PHE A 63 7.492 -0.866 -4.217 1.00 0.00 C ATOM 988 C PHE A 63 7.667 0.419 -5.034 1.00 0.00 C ATOM 989 O PHE A 63 7.569 1.516 -4.524 1.00 0.00 O ATOM 990 CB PHE A 63 8.855 -1.351 -3.710 1.00 0.00 C ATOM 991 CG PHE A 63 9.289 -0.651 -2.432 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.451 -0.606 -1.310 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.564 -0.076 -2.365 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.885 0.012 -0.130 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.997 0.548 -1.186 1.00 0.00 C ATOM 996 CZ PHE A 63 10.157 0.589 -0.066 1.00 0.00 C ATOM 0 H PHE A 63 7.561 -2.724 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 63 6.826 -0.665 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.811 -2.426 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.605 -1.185 -4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.467 -1.049 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.217 -0.113 -3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.235 0.043 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.978 0.997 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.491 1.065 0.844 1.00 0.00 H new ATOM 1006 N GLU A 64 7.934 0.276 -6.305 1.00 0.00 N ATOM 1007 CA GLU A 64 8.134 1.469 -7.183 1.00 0.00 C ATOM 1008 C GLU A 64 6.962 2.451 -7.045 1.00 0.00 C ATOM 1009 O GLU A 64 7.157 3.638 -6.874 1.00 0.00 O ATOM 1010 CB GLU A 64 8.238 1.014 -8.637 1.00 0.00 C ATOM 1011 CG GLU A 64 9.643 0.473 -8.901 1.00 0.00 C ATOM 1012 CD GLU A 64 10.500 1.568 -9.540 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.186 1.965 -10.650 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.455 1.987 -8.909 1.00 0.00 O ATOM 0 H GLU A 64 8.023 -0.624 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 64 9.051 1.974 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.495 0.243 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.026 1.848 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.097 0.139 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.592 -0.394 -9.559 1.00 0.00 H new ATOM 1021 N GLU A 65 5.749 1.973 -7.110 1.00 0.00 N ATOM 1022 CA GLU A 65 4.578 2.893 -6.977 1.00 0.00 C ATOM 1023 C GLU A 65 4.219 3.018 -5.499 1.00 0.00 C ATOM 1024 O GLU A 65 3.395 3.818 -5.103 1.00 0.00 O ATOM 1025 CB GLU A 65 3.387 2.332 -7.753 1.00 0.00 C ATOM 1026 CG GLU A 65 2.979 0.982 -7.163 1.00 0.00 C ATOM 1027 CD GLU A 65 2.125 1.208 -5.914 1.00 0.00 C ATOM 1028 OE1 GLU A 65 0.954 1.513 -6.068 1.00 0.00 O ATOM 1029 OE2 GLU A 65 2.656 1.070 -4.824 1.00 0.00 O ATOM 0 H GLU A 65 5.516 0.990 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 65 4.830 3.873 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.550 3.028 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.648 2.216 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.419 0.405 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.866 0.401 -6.910 1.00 0.00 H new ATOM 1036 N PHE A 66 4.853 2.225 -4.686 1.00 0.00 N ATOM 1037 CA PHE A 66 4.603 2.257 -3.227 1.00 0.00 C ATOM 1038 C PHE A 66 5.457 3.375 -2.606 1.00 0.00 C ATOM 1039 O PHE A 66 5.559 3.506 -1.402 1.00 0.00 O ATOM 1040 CB PHE A 66 5.025 0.886 -2.695 1.00 0.00 C ATOM 1041 CG PHE A 66 4.522 0.640 -1.293 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.149 0.674 -1.016 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.432 0.366 -0.268 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.688 0.441 0.282 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.970 0.131 1.024 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.600 0.169 1.305 1.00 0.00 C ATOM 0 H PHE A 66 5.550 1.541 -4.982 1.00 0.00 H new ATOM 0 HA PHE A 66 3.559 2.456 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.645 0.108 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.112 0.812 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.445 0.881 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.491 0.337 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.629 0.471 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.674 -0.082 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.248 -0.011 2.310 1.00 0.00 H new ATOM 1056 N GLN A 67 6.061 4.184 -3.440 1.00 0.00 N ATOM 1057 CA GLN A 67 6.908 5.315 -2.942 1.00 0.00 C ATOM 1058 C GLN A 67 6.024 6.507 -2.620 1.00 0.00 C ATOM 1059 O GLN A 67 6.292 7.272 -1.721 1.00 0.00 O ATOM 1060 CB GLN A 67 7.934 5.715 -4.002 1.00 0.00 C ATOM 1061 CG GLN A 67 8.692 4.481 -4.493 1.00 0.00 C ATOM 1062 CD GLN A 67 9.835 4.133 -3.521 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.791 4.875 -3.418 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.792 3.034 -2.796 1.00 0.00 N ATOM 0 H GLN A 67 6.004 4.109 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 67 7.434 4.993 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.433 6.200 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.634 6.440 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.008 3.636 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.096 4.666 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.995 2.403 -2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.556 2.814 -2.157 1.00 0.00 H new ATOM 1073 N VAL A 68 4.977 6.672 -3.358 1.00 0.00 N ATOM 1074 CA VAL A 68 4.060 7.811 -3.101 1.00 0.00 C ATOM 1075 C VAL A 68 3.567 7.727 -1.656 1.00 0.00 C ATOM 1076 O VAL A 68 3.382 8.722 -0.986 1.00 0.00 O ATOM 1077 CB VAL A 68 2.881 7.711 -4.059 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.139 9.045 -4.092 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.410 7.375 -5.454 1.00 0.00 C ATOM 0 H VAL A 68 4.710 6.066 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 68 4.573 8.761 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 68 2.194 6.932 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.295 8.975 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.776 9.284 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.816 9.830 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.576 7.300 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.090 8.161 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.942 6.424 -5.422 1.00 0.00 H new ATOM 1089 N LEU A 69 3.369 6.533 -1.173 1.00 0.00 N ATOM 1090 CA LEU A 69 2.907 6.343 0.232 1.00 0.00 C ATOM 1091 C LEU A 69 3.923 6.955 1.179 1.00 0.00 C ATOM 1092 O LEU A 69 3.600 7.362 2.273 1.00 0.00 O ATOM 1093 CB LEU A 69 2.886 4.847 0.537 1.00 0.00 C ATOM 1094 CG LEU A 69 1.656 4.429 1.361 1.00 0.00 C ATOM 1095 CD1 LEU A 69 2.095 3.379 2.378 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.062 5.621 2.119 1.00 0.00 C ATOM 0 H LEU A 69 3.509 5.669 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 69 1.925 6.800 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.898 4.289 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.792 4.578 1.081 1.00 0.00 H new ATOM 0 HG LEU A 69 0.898 4.037 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.237 3.068 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.505 2.515 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.857 3.803 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.195 5.292 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.811 6.030 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.758 6.389 1.408 1.00 0.00 H new ATOM 1108 N VAL A 70 5.162 6.960 0.782 1.00 0.00 N ATOM 1109 CA VAL A 70 6.227 7.496 1.665 1.00 0.00 C ATOM 1110 C VAL A 70 5.908 8.950 2.022 1.00 0.00 C ATOM 1111 O VAL A 70 5.986 9.353 3.166 1.00 0.00 O ATOM 1112 CB VAL A 70 7.573 7.442 0.936 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.588 8.343 1.642 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.091 6.010 0.923 1.00 0.00 C ATOM 0 H VAL A 70 5.483 6.613 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 70 6.278 6.896 2.574 1.00 0.00 H new ATOM 0 HB VAL A 70 7.435 7.790 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.542 8.298 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.223 9.370 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.723 8.004 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.049 5.974 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.220 5.661 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.375 5.369 0.409 1.00 0.00 H new ATOM 1124 N LYS A 71 5.531 9.738 1.045 1.00 0.00 N ATOM 1125 CA LYS A 71 5.183 11.167 1.318 1.00 0.00 C ATOM 1126 C LYS A 71 3.807 11.225 1.990 1.00 0.00 C ATOM 1127 O LYS A 71 3.230 12.280 2.167 1.00 0.00 O ATOM 1128 CB LYS A 71 5.142 11.952 0.002 1.00 0.00 C ATOM 1129 CG LYS A 71 4.267 11.211 -1.014 1.00 0.00 C ATOM 1130 CD LYS A 71 4.068 12.075 -2.264 1.00 0.00 C ATOM 1131 CE LYS A 71 3.746 13.519 -1.857 1.00 0.00 C ATOM 1132 NZ LYS A 71 2.582 13.529 -0.926 1.00 0.00 N ATOM 0 H LYS A 71 5.449 9.453 0.069 1.00 0.00 H new ATOM 0 HA LYS A 71 5.935 11.607 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.746 12.952 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.151 12.073 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.734 10.265 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.301 10.973 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.968 12.054 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.258 11.670 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.612 13.974 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.522 14.115 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.894 14.244 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.131 12.592 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.908 13.758 0.035 1.00 0.00 H new ATOM 1146 N LYS A 72 3.291 10.091 2.376 1.00 0.00 N ATOM 1147 CA LYS A 72 1.978 10.034 3.050 1.00 0.00 C ATOM 1148 C LYS A 72 2.212 9.653 4.516 1.00 0.00 C ATOM 1149 O LYS A 72 1.288 9.563 5.299 1.00 0.00 O ATOM 1150 CB LYS A 72 1.104 8.967 2.382 1.00 0.00 C ATOM 1151 CG LYS A 72 0.833 9.340 0.918 1.00 0.00 C ATOM 1152 CD LYS A 72 0.530 10.837 0.805 1.00 0.00 C ATOM 1153 CE LYS A 72 -0.217 11.105 -0.502 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.652 10.736 -1.656 1.00 0.00 N ATOM 0 H LYS A 72 3.740 9.185 2.246 1.00 0.00 H new ATOM 0 HA LYS A 72 1.476 10.999 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.600 7.998 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.161 8.870 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.698 9.089 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.008 8.761 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.071 11.163 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.457 11.410 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.141 10.528 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.496 12.157 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.923 11.595 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.507 10.258 -1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.133 10.097 -2.291 1.00 0.00 H new ATOM 1168 N ILE A 73 3.447 9.397 4.883 1.00 0.00 N ATOM 1169 CA ILE A 73 3.749 8.988 6.281 1.00 0.00 C ATOM 1170 C ILE A 73 4.651 9.966 6.963 1.00 0.00 C ATOM 1171 O ILE A 73 4.463 10.320 8.110 1.00 0.00 O ATOM 1172 CB ILE A 73 4.588 7.720 6.284 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.372 6.924 5.017 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.263 6.913 7.511 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.025 6.215 5.062 1.00 0.00 C ATOM 0 H ILE A 73 4.258 9.456 4.267 1.00 0.00 H new ATOM 0 HA ILE A 73 2.780 8.891 6.771 1.00 0.00 H new ATOM 0 HB ILE A 73 5.645 7.986 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.414 7.586 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.172 6.193 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.863 6.003 7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.486 7.500 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.205 6.651 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.883 5.646 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.998 5.538 5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.229 6.953 5.159 1.00 0.00 H new ATOM 1187 N SER A 74 5.717 10.272 6.301 1.00 0.00 N ATOM 1188 CA SER A 74 6.751 11.081 6.929 1.00 0.00 C ATOM 1189 C SER A 74 6.141 12.164 7.826 1.00 0.00 C ATOM 1190 O SER A 74 6.581 12.381 8.937 1.00 0.00 O ATOM 1191 CB SER A 74 7.646 11.717 5.865 1.00 0.00 C ATOM 1192 OG SER A 74 7.018 12.889 5.364 1.00 0.00 O ATOM 0 H SER A 74 5.909 9.988 5.340 1.00 0.00 H new ATOM 0 HA SER A 74 7.356 10.426 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.618 11.965 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.825 11.011 5.054 1.00 0.00 H new ATOM 0 HG SER A 74 7.590 13.301 4.683 1.00 0.00 H new ATOM 1198 N GLN A 75 5.129 12.839 7.357 1.00 0.00 N ATOM 1199 CA GLN A 75 4.494 13.896 8.190 1.00 0.00 C ATOM 1200 C GLN A 75 3.316 13.297 8.961 1.00 0.00 C ATOM 1201 O GLN A 75 2.523 14.062 9.482 1.00 0.00 O ATOM 1202 CB GLN A 75 3.993 15.027 7.288 1.00 0.00 C ATOM 1203 CG GLN A 75 2.929 14.487 6.331 1.00 0.00 C ATOM 1204 CD GLN A 75 1.758 15.468 6.264 1.00 0.00 C ATOM 1205 OE1 GLN A 75 1.931 16.618 5.910 1.00 0.00 O ATOM 1206 NE2 GLN A 75 0.562 15.059 6.589 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.227 12.081 9.016 1.00 0.00 O ATOM 0 H GLN A 75 4.715 12.704 6.434 1.00 0.00 H new ATOM 0 HA GLN A 75 5.226 14.292 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.577 15.832 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.824 15.450 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.356 14.345 5.338 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.581 13.511 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.416 14.094 6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.227 15.704 6.546 1.00 0.00 H new