USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 1.14 K(o=2.8,f=1.7) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.61 K(o=2.8,f=1.7) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -171:sc= 1.11 (180deg=0.782) USER MOD Set 2.2: A 13 TYR OH : rot 143:sc= 0.355 USER MOD Set 2.3: A 34 THR OG1 : rot 73:sc= 1.93 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= 0.922 (180deg=0.173) USER MOD Single : A 24 SER OG : rot -72:sc= 0.839 USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= 0.66 (180deg=0.173) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= -0.336 (180deg=-0.388) USER MOD Single : A 33 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.16) USER MOD Single : A 45 THR OG1 : rot -29:sc= 0.695 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.301 (180deg=0.3) USER MOD Single : A 56 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.2) USER MOD Single : A 62 SER OG : rot -80:sc= 0.0903 USER MOD Single : A 67 GLN : amide:sc= -0.828 K(o=-0.83,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0.301 (180deg=0.279) USER MOD Single : A 74 SER OG : rot 47:sc= 1.12 USER MOD Single : A 75 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.764 2.662 -5.608 1.00 0.00 N ATOM 37 CA PRO A 3 -11.487 3.257 -5.234 1.00 0.00 C ATOM 38 C PRO A 3 -11.532 3.913 -3.853 1.00 0.00 C ATOM 39 O PRO A 3 -10.572 3.816 -3.097 1.00 0.00 O ATOM 40 CB PRO A 3 -11.155 4.263 -6.339 1.00 0.00 C ATOM 41 CG PRO A 3 -11.839 3.648 -7.558 1.00 0.00 C ATOM 42 CD PRO A 3 -13.123 3.076 -6.957 1.00 0.00 C ATOM 0 HA PRO A 3 -10.713 2.495 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.543 5.257 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.080 4.366 -6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.046 4.392 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.227 2.874 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.917 3.823 -6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.490 2.233 -7.543 1.00 0.00 H new ATOM 50 N GLU A 4 -12.650 4.565 -3.517 1.00 0.00 N ATOM 51 CA GLU A 4 -12.859 5.213 -2.230 1.00 0.00 C ATOM 52 C GLU A 4 -12.576 4.243 -1.075 1.00 0.00 C ATOM 53 O GLU A 4 -11.975 4.620 -0.072 1.00 0.00 O ATOM 54 CB GLU A 4 -14.296 5.752 -2.173 1.00 0.00 C ATOM 55 CG GLU A 4 -14.548 6.584 -0.908 1.00 0.00 C ATOM 56 CD GLU A 4 -15.943 7.200 -0.921 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.128 8.162 -1.697 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.799 6.696 -0.162 1.00 0.00 O ATOM 0 H GLU A 4 -13.446 4.655 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.163 6.045 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.489 6.364 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.997 4.918 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.434 5.953 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.800 7.373 -0.834 1.00 0.00 H new ATOM 65 N GLU A 5 -12.992 2.983 -1.211 1.00 0.00 N ATOM 66 CA GLU A 5 -12.780 1.987 -0.173 1.00 0.00 C ATOM 67 C GLU A 5 -11.282 1.743 -0.022 1.00 0.00 C ATOM 68 O GLU A 5 -10.743 1.756 1.081 1.00 0.00 O ATOM 69 CB GLU A 5 -13.519 0.684 -0.511 1.00 0.00 C ATOM 70 CG GLU A 5 -14.990 0.919 -0.874 1.00 0.00 C ATOM 71 CD GLU A 5 -15.738 1.702 0.199 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.922 1.127 1.293 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.104 2.860 -0.098 1.00 0.00 O ATOM 0 H GLU A 5 -13.479 2.632 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.182 2.353 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.017 0.191 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.462 0.007 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.046 1.459 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.481 -0.042 -1.027 1.00 0.00 H new ATOM 80 N LEU A 6 -10.600 1.540 -1.149 1.00 0.00 N ATOM 81 CA LEU A 6 -9.166 1.286 -1.161 1.00 0.00 C ATOM 82 C LEU A 6 -8.441 2.499 -0.577 1.00 0.00 C ATOM 83 O LEU A 6 -7.448 2.357 0.131 1.00 0.00 O ATOM 84 CB LEU A 6 -8.698 0.944 -2.581 1.00 0.00 C ATOM 85 CG LEU A 6 -9.340 -0.349 -3.120 1.00 0.00 C ATOM 86 CD1 LEU A 6 -9.066 -0.454 -4.621 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.780 -1.599 -2.431 1.00 0.00 C ATOM 0 H LEU A 6 -11.028 1.548 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.928 0.423 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.940 1.771 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.613 0.837 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.410 -0.299 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.517 -1.367 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.495 0.409 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.990 -0.479 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.261 -2.487 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.705 -1.657 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.976 -1.543 -1.360 1.00 0.00 H new ATOM 99 N LYS A 7 -8.949 3.697 -0.860 1.00 0.00 N ATOM 100 CA LYS A 7 -8.426 4.943 -0.337 1.00 0.00 C ATOM 101 C LYS A 7 -8.603 4.968 1.181 1.00 0.00 C ATOM 102 O LYS A 7 -7.680 5.332 1.905 1.00 0.00 O ATOM 103 CB LYS A 7 -9.128 6.114 -1.035 1.00 0.00 C ATOM 104 CG LYS A 7 -8.319 7.410 -0.911 1.00 0.00 C ATOM 105 CD LYS A 7 -9.011 8.538 -1.681 1.00 0.00 C ATOM 106 CE LYS A 7 -8.181 9.823 -1.595 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.823 10.926 -2.331 1.00 0.00 N ATOM 0 H LYS A 7 -9.754 3.824 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.359 5.034 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.275 5.875 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.117 6.258 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.217 7.685 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.312 7.258 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.141 8.250 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.006 8.711 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.053 10.106 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.186 9.643 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.237 11.782 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.923 10.663 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.763 11.112 -1.927 1.00 0.00 H new ATOM 121 N GLY A 8 -9.777 4.563 1.668 1.00 0.00 N ATOM 122 CA GLY A 8 -10.072 4.515 3.089 1.00 0.00 C ATOM 123 C GLY A 8 -9.101 3.559 3.774 1.00 0.00 C ATOM 124 O GLY A 8 -8.504 3.890 4.790 1.00 0.00 O ATOM 0 H GLY A 8 -10.551 4.258 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.987 5.511 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.098 4.185 3.248 1.00 0.00 H new ATOM 128 N ILE A 9 -8.935 2.369 3.205 1.00 0.00 N ATOM 129 CA ILE A 9 -8.043 1.329 3.702 1.00 0.00 C ATOM 130 C ILE A 9 -6.590 1.825 3.696 1.00 0.00 C ATOM 131 O ILE A 9 -5.878 1.672 4.685 1.00 0.00 O ATOM 132 CB ILE A 9 -8.298 0.065 2.871 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.734 -0.452 3.103 1.00 0.00 C ATOM 134 CG2 ILE A 9 -7.267 -1.024 3.159 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.954 -1.152 4.449 1.00 0.00 C ATOM 0 H ILE A 9 -9.434 2.094 2.359 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.241 1.079 4.744 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.192 0.333 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.424 0.388 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.989 -1.146 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.485 -1.901 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.270 -0.654 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.309 -1.295 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.991 -1.481 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.293 -2.016 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.735 -0.458 5.260 1.00 0.00 H new ATOM 147 N PHE A 10 -6.144 2.440 2.599 1.00 0.00 N ATOM 148 CA PHE A 10 -4.811 3.030 2.499 1.00 0.00 C ATOM 149 C PHE A 10 -4.642 4.009 3.665 1.00 0.00 C ATOM 150 O PHE A 10 -3.688 3.916 4.435 1.00 0.00 O ATOM 151 CB PHE A 10 -4.686 3.756 1.151 1.00 0.00 C ATOM 152 CG PHE A 10 -3.519 4.712 1.014 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.664 6.025 1.499 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.241 4.262 0.635 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.547 6.682 2.027 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.122 5.066 0.914 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.267 6.208 1.719 1.00 0.00 C ATOM 0 H PHE A 10 -6.702 2.542 1.751 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.034 2.267 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.609 3.006 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.607 4.311 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.624 6.519 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.121 3.312 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.671 7.545 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.154 4.807 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.394 6.718 2.099 1.00 0.00 H new ATOM 167 N GLU A 11 -5.592 4.943 3.788 1.00 0.00 N ATOM 168 CA GLU A 11 -5.603 5.961 4.823 1.00 0.00 C ATOM 169 C GLU A 11 -5.556 5.321 6.211 1.00 0.00 C ATOM 170 O GLU A 11 -4.826 5.789 7.080 1.00 0.00 O ATOM 171 CB GLU A 11 -6.830 6.865 4.648 1.00 0.00 C ATOM 172 CG GLU A 11 -6.712 8.137 5.495 1.00 0.00 C ATOM 173 CD GLU A 11 -7.909 9.054 5.270 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.922 8.848 5.973 1.00 0.00 O ATOM 175 OE2 GLU A 11 -7.795 9.934 4.390 1.00 0.00 O ATOM 0 H GLU A 11 -6.388 5.006 3.153 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.712 6.582 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.939 7.134 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.730 6.319 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.646 7.871 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.792 8.664 5.241 1.00 0.00 H new ATOM 182 N LYS A 12 -6.336 4.254 6.414 1.00 0.00 N ATOM 183 CA LYS A 12 -6.422 3.526 7.669 1.00 0.00 C ATOM 184 C LYS A 12 -5.024 3.222 8.188 1.00 0.00 C ATOM 185 O LYS A 12 -4.740 3.517 9.346 1.00 0.00 O ATOM 186 CB LYS A 12 -7.253 2.240 7.525 1.00 0.00 C ATOM 187 CG LYS A 12 -7.675 1.671 8.892 1.00 0.00 C ATOM 188 CD LYS A 12 -7.242 0.212 9.105 1.00 0.00 C ATOM 189 CE LYS A 12 -7.918 -0.758 8.126 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.661 -2.161 8.500 1.00 0.00 N ATOM 0 H LYS A 12 -6.938 3.869 5.686 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.937 4.156 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.141 2.447 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.673 1.492 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.247 2.288 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.759 1.738 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.160 0.139 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.478 -0.087 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.992 -0.574 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.550 -0.575 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.997 -2.789 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.640 -2.302 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.164 -2.383 9.383 1.00 0.00 H new ATOM 204 N TYR A 13 -4.145 2.647 7.357 1.00 0.00 N ATOM 205 CA TYR A 13 -2.798 2.381 7.826 1.00 0.00 C ATOM 206 C TYR A 13 -1.953 3.646 7.743 1.00 0.00 C ATOM 207 O TYR A 13 -1.224 3.903 8.694 1.00 0.00 O ATOM 208 CB TYR A 13 -2.169 1.170 7.146 1.00 0.00 C ATOM 209 CG TYR A 13 -2.841 -0.128 7.541 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.050 -0.482 6.931 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.271 -0.986 8.500 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.649 -1.714 7.205 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.970 -2.137 8.911 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.172 -2.489 8.274 1.00 0.00 C ATOM 215 OH TYR A 13 -4.886 -3.568 8.688 1.00 0.00 O ATOM 0 H TYR A 13 -4.339 2.370 6.395 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.848 2.101 8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.229 1.292 6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.111 1.121 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.524 0.203 6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.301 -0.762 8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.471 -2.067 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.583 -2.748 9.714 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.272 -4.289 8.940 1.00 0.00 H new ATOM 225 N ALA A 14 -2.027 4.452 6.671 1.00 0.00 N ATOM 226 CA ALA A 14 -1.227 5.673 6.598 1.00 0.00 C ATOM 227 C ALA A 14 -1.345 6.537 7.864 1.00 0.00 C ATOM 228 O ALA A 14 -0.392 7.174 8.297 1.00 0.00 O ATOM 229 CB ALA A 14 -1.651 6.460 5.365 1.00 0.00 C ATOM 0 H ALA A 14 -2.622 4.280 5.861 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.177 5.390 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.062 7.375 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.486 5.855 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.708 6.714 5.441 1.00 0.00 H new ATOM 235 N ALA A 15 -2.533 6.564 8.470 1.00 0.00 N ATOM 236 CA ALA A 15 -2.811 7.331 9.673 1.00 0.00 C ATOM 237 C ALA A 15 -1.960 6.935 10.887 1.00 0.00 C ATOM 238 O ALA A 15 -1.905 7.708 11.839 1.00 0.00 O ATOM 239 CB ALA A 15 -4.301 7.207 10.007 1.00 0.00 C ATOM 0 H ALA A 15 -3.340 6.042 8.128 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.541 8.365 9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.521 7.779 10.908 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.893 7.595 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.551 6.159 10.172 1.00 0.00 H new ATOM 245 N LYS A 16 -1.312 5.764 10.899 1.00 0.00 N ATOM 246 CA LYS A 16 -0.530 5.339 12.054 1.00 0.00 C ATOM 247 C LYS A 16 0.697 6.234 12.270 1.00 0.00 C ATOM 248 O LYS A 16 0.849 6.812 13.343 1.00 0.00 O ATOM 249 CB LYS A 16 -0.161 3.848 11.938 1.00 0.00 C ATOM 250 CG LYS A 16 -0.732 2.980 13.069 1.00 0.00 C ATOM 251 CD LYS A 16 -2.267 2.955 13.155 1.00 0.00 C ATOM 252 CE LYS A 16 -2.922 2.596 11.818 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.383 2.480 11.948 1.00 0.00 N ATOM 0 H LYS A 16 -1.317 5.101 10.124 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.147 5.453 12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.522 3.467 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.925 3.751 11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.373 1.959 12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.335 3.339 14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.574 2.233 13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.626 3.931 13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.681 3.358 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.512 1.655 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.837 2.806 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.638 1.487 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.708 3.065 12.744 1.00 0.00 H new ATOM 267 N GLU A 17 1.581 6.339 11.274 1.00 0.00 N ATOM 268 CA GLU A 17 2.800 7.128 11.348 1.00 0.00 C ATOM 269 C GLU A 17 3.103 7.768 9.995 1.00 0.00 C ATOM 270 O GLU A 17 2.789 7.217 8.948 1.00 0.00 O ATOM 271 CB GLU A 17 3.985 6.232 11.735 1.00 0.00 C ATOM 272 CG GLU A 17 3.794 5.505 13.072 1.00 0.00 C ATOM 273 CD GLU A 17 5.046 4.723 13.449 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.936 5.343 14.072 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.098 3.525 13.095 1.00 0.00 O ATOM 0 H GLU A 17 1.461 5.866 10.378 1.00 0.00 H new ATOM 0 HA GLU A 17 2.655 7.904 12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.143 5.494 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.888 6.840 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.563 6.228 13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.943 4.827 13.004 1.00 0.00 H new ATOM 282 N GLY A 18 3.749 8.932 10.035 1.00 0.00 N ATOM 283 CA GLY A 18 4.174 9.658 8.850 1.00 0.00 C ATOM 284 C GLY A 18 3.039 10.269 8.029 1.00 0.00 C ATOM 285 O GLY A 18 3.140 10.325 6.811 1.00 0.00 O ATOM 0 H GLY A 18 3.993 9.400 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.853 10.455 9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.742 8.981 8.211 1.00 0.00 H new ATOM 289 N ASP A 19 1.991 10.760 8.700 1.00 0.00 N ATOM 290 CA ASP A 19 0.843 11.459 8.119 1.00 0.00 C ATOM 291 C ASP A 19 -0.097 10.558 7.293 1.00 0.00 C ATOM 292 O ASP A 19 0.372 9.764 6.482 1.00 0.00 O ATOM 293 CB ASP A 19 1.319 12.672 7.296 1.00 0.00 C ATOM 294 CG ASP A 19 0.160 13.526 6.797 1.00 0.00 C ATOM 295 OD1 ASP A 19 -0.476 13.094 5.811 1.00 0.00 O ATOM 296 OD2 ASP A 19 -0.085 14.579 7.423 1.00 0.00 O ATOM 0 H ASP A 19 1.919 10.675 9.714 1.00 0.00 H new ATOM 0 HA ASP A 19 0.239 11.802 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.982 13.285 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.903 12.323 6.444 1.00 0.00 H new ATOM 301 N PRO A 20 -1.431 10.686 7.456 1.00 0.00 N ATOM 302 CA PRO A 20 -2.423 9.894 6.729 1.00 0.00 C ATOM 303 C PRO A 20 -2.304 9.902 5.200 1.00 0.00 C ATOM 304 O PRO A 20 -2.985 9.117 4.549 1.00 0.00 O ATOM 305 CB PRO A 20 -3.800 10.375 7.201 1.00 0.00 C ATOM 306 CG PRO A 20 -3.525 11.752 7.795 1.00 0.00 C ATOM 307 CD PRO A 20 -2.118 11.596 8.364 1.00 0.00 C ATOM 0 HA PRO A 20 -2.249 8.844 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.508 10.431 6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.227 9.699 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.572 12.536 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.248 12.011 8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.607 12.557 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.146 11.193 9.377 1.00 0.00 H new ATOM 315 N ASN A 21 -1.467 10.752 4.601 1.00 0.00 N ATOM 316 CA ASN A 21 -1.266 10.776 3.168 1.00 0.00 C ATOM 317 C ASN A 21 -0.229 9.732 2.732 1.00 0.00 C ATOM 318 O ASN A 21 -0.237 9.349 1.562 1.00 0.00 O ATOM 319 CB ASN A 21 -0.827 12.186 2.773 1.00 0.00 C ATOM 320 CG ASN A 21 -0.520 12.268 1.287 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.405 12.205 0.445 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.744 12.411 0.934 1.00 0.00 N ATOM 0 H ASN A 21 -0.912 11.442 5.107 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.197 10.521 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.612 12.899 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.056 12.469 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.994 12.471 -0.053 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.470 12.462 1.648 1.00 0.00 H new ATOM 329 N GLN A 22 0.658 9.263 3.627 1.00 0.00 N ATOM 330 CA GLN A 22 1.700 8.304 3.264 1.00 0.00 C ATOM 331 C GLN A 22 1.694 6.998 4.062 1.00 0.00 C ATOM 332 O GLN A 22 1.369 6.972 5.240 1.00 0.00 O ATOM 333 CB GLN A 22 3.099 8.892 3.448 1.00 0.00 C ATOM 334 CG GLN A 22 3.515 10.047 2.533 1.00 0.00 C ATOM 335 CD GLN A 22 3.476 11.385 3.259 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.813 12.321 2.830 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.177 11.507 4.374 1.00 0.00 N ATOM 0 H GLN A 22 0.668 9.538 4.609 1.00 0.00 H new ATOM 0 HA GLN A 22 1.468 8.085 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.185 9.234 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.821 8.086 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.522 9.867 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.852 10.083 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.725 10.720 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.169 12.388 4.887 1.00 0.00 H new ATOM 346 N LEU A 23 2.111 5.918 3.396 1.00 0.00 N ATOM 347 CA LEU A 23 2.295 4.587 3.950 1.00 0.00 C ATOM 348 C LEU A 23 3.780 4.353 4.202 1.00 0.00 C ATOM 349 O LEU A 23 4.538 4.180 3.250 1.00 0.00 O ATOM 350 CB LEU A 23 1.840 3.535 2.938 1.00 0.00 C ATOM 351 CG LEU A 23 0.377 3.137 3.089 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.032 2.194 1.930 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.068 2.412 4.403 1.00 0.00 C ATOM 0 H LEU A 23 2.340 5.958 2.403 1.00 0.00 H new ATOM 0 HA LEU A 23 1.718 4.509 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.002 3.918 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.463 2.647 3.045 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.214 4.053 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.011 1.889 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.190 2.709 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.672 1.313 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.992 2.160 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.660 1.499 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.316 3.060 5.243 1.00 0.00 H new ATOM 365 N SER A 24 4.229 4.312 5.451 1.00 0.00 N ATOM 366 CA SER A 24 5.630 4.037 5.720 1.00 0.00 C ATOM 367 C SER A 24 5.936 2.593 5.317 1.00 0.00 C ATOM 368 O SER A 24 5.041 1.753 5.295 1.00 0.00 O ATOM 369 CB SER A 24 5.975 4.350 7.186 1.00 0.00 C ATOM 370 OG SER A 24 4.862 4.889 7.873 1.00 0.00 O ATOM 0 H SER A 24 3.653 4.463 6.279 1.00 0.00 H new ATOM 0 HA SER A 24 6.269 4.688 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.307 3.440 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.805 5.056 7.224 1.00 0.00 H new ATOM 0 HG SER A 24 4.703 5.807 7.569 1.00 0.00 H new ATOM 376 N LYS A 25 7.192 2.283 4.997 1.00 0.00 N ATOM 377 CA LYS A 25 7.607 0.936 4.613 1.00 0.00 C ATOM 378 C LYS A 25 7.063 -0.102 5.600 1.00 0.00 C ATOM 379 O LYS A 25 6.380 -1.056 5.231 1.00 0.00 O ATOM 380 CB LYS A 25 9.136 0.939 4.428 1.00 0.00 C ATOM 381 CG LYS A 25 9.824 -0.407 4.686 1.00 0.00 C ATOM 382 CD LYS A 25 11.344 -0.352 4.482 1.00 0.00 C ATOM 383 CE LYS A 25 11.733 -0.080 3.024 1.00 0.00 C ATOM 384 NZ LYS A 25 13.182 -0.245 2.820 1.00 0.00 N ATOM 0 H LYS A 25 7.953 2.963 4.997 1.00 0.00 H new ATOM 0 HA LYS A 25 7.177 0.637 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.363 1.256 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.566 1.684 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.611 -0.728 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.400 -1.159 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.764 0.427 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.784 -1.296 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.191 -0.760 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.437 0.932 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.354 -0.686 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.645 0.686 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.571 -0.851 3.570 1.00 0.00 H new ATOM 398 N GLU A 26 7.359 0.115 6.875 1.00 0.00 N ATOM 399 CA GLU A 26 6.886 -0.738 7.960 1.00 0.00 C ATOM 400 C GLU A 26 5.347 -0.761 8.048 1.00 0.00 C ATOM 401 O GLU A 26 4.768 -1.732 8.521 1.00 0.00 O ATOM 402 CB GLU A 26 7.527 -0.266 9.274 1.00 0.00 C ATOM 403 CG GLU A 26 7.297 -1.257 10.423 1.00 0.00 C ATOM 404 CD GLU A 26 8.038 -0.826 11.684 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.285 -0.904 11.661 1.00 0.00 O ATOM 406 OE2 GLU A 26 7.346 -0.420 12.643 1.00 0.00 O ATOM 0 H GLU A 26 7.938 0.894 7.189 1.00 0.00 H new ATOM 0 HA GLU A 26 7.187 -1.767 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.598 -0.129 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.116 0.706 9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.230 -1.332 10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.633 -2.249 10.123 1.00 0.00 H new ATOM 413 N GLU A 27 4.673 0.300 7.601 1.00 0.00 N ATOM 414 CA GLU A 27 3.227 0.451 7.660 1.00 0.00 C ATOM 415 C GLU A 27 2.546 -0.368 6.557 1.00 0.00 C ATOM 416 O GLU A 27 1.564 -1.073 6.797 1.00 0.00 O ATOM 417 CB GLU A 27 2.946 1.953 7.557 1.00 0.00 C ATOM 418 CG GLU A 27 1.615 2.422 8.127 1.00 0.00 C ATOM 419 CD GLU A 27 1.685 3.936 8.278 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.029 4.584 7.268 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.456 4.402 9.411 1.00 0.00 O ATOM 0 H GLU A 27 5.138 1.101 7.175 1.00 0.00 H new ATOM 0 HA GLU A 27 2.814 0.065 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.746 2.488 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.990 2.240 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.795 2.141 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.424 1.950 9.091 1.00 0.00 H new ATOM 428 N LEU A 28 3.089 -0.288 5.339 1.00 0.00 N ATOM 429 CA LEU A 28 2.617 -1.041 4.187 1.00 0.00 C ATOM 430 C LEU A 28 2.567 -2.519 4.558 1.00 0.00 C ATOM 431 O LEU A 28 1.603 -3.195 4.228 1.00 0.00 O ATOM 432 CB LEU A 28 3.626 -0.804 3.051 1.00 0.00 C ATOM 433 CG LEU A 28 3.356 -1.607 1.771 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.127 -1.068 1.038 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.582 -1.545 0.857 1.00 0.00 C ATOM 0 H LEU A 28 3.884 0.315 5.128 1.00 0.00 H new ATOM 0 HA LEU A 28 1.621 -0.728 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.630 0.257 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.624 -1.050 3.414 1.00 0.00 H new ATOM 0 HG LEU A 28 3.160 -2.643 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.956 -1.653 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.255 -1.141 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.292 -0.025 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.388 -2.116 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.789 -0.507 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.443 -1.968 1.374 1.00 0.00 H new ATOM 447 N LYS A 29 3.590 -3.025 5.248 1.00 0.00 N ATOM 448 CA LYS A 29 3.652 -4.415 5.665 1.00 0.00 C ATOM 449 C LYS A 29 2.339 -4.820 6.347 1.00 0.00 C ATOM 450 O LYS A 29 1.591 -5.642 5.820 1.00 0.00 O ATOM 451 CB LYS A 29 4.887 -4.589 6.554 1.00 0.00 C ATOM 452 CG LYS A 29 4.967 -5.938 7.265 1.00 0.00 C ATOM 453 CD LYS A 29 4.982 -7.140 6.314 1.00 0.00 C ATOM 454 CE LYS A 29 6.178 -7.196 5.354 1.00 0.00 C ATOM 455 NZ LYS A 29 5.845 -6.653 4.025 1.00 0.00 N ATOM 0 H LYS A 29 4.400 -2.474 5.532 1.00 0.00 H new ATOM 0 HA LYS A 29 3.759 -5.085 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.781 -4.460 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.896 -3.796 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.867 -5.961 7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.117 -6.032 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.970 -8.054 6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.064 -7.130 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.010 -6.633 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.512 -8.228 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.658 -6.771 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.025 -7.162 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.617 -5.642 4.110 1.00 0.00 H new ATOM 469 N LEU A 30 2.054 -4.241 7.515 1.00 0.00 N ATOM 470 CA LEU A 30 0.825 -4.478 8.254 1.00 0.00 C ATOM 471 C LEU A 30 -0.416 -4.328 7.361 1.00 0.00 C ATOM 472 O LEU A 30 -1.313 -5.173 7.407 1.00 0.00 O ATOM 473 CB LEU A 30 0.731 -3.616 9.529 1.00 0.00 C ATOM 474 CG LEU A 30 1.906 -2.695 9.901 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.448 -1.685 10.960 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.077 -3.503 10.477 1.00 0.00 C ATOM 0 H LEU A 30 2.684 -3.585 7.976 1.00 0.00 H new ATOM 0 HA LEU A 30 0.854 -5.516 8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.159 -2.993 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.564 -4.290 10.369 1.00 0.00 H new ATOM 0 HG LEU A 30 2.235 -2.183 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.280 -1.032 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.629 -1.086 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.109 -2.218 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.894 -2.828 10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.749 -4.030 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.420 -4.225 9.736 1.00 0.00 H new ATOM 488 N LEU A 31 -0.475 -3.271 6.544 1.00 0.00 N ATOM 489 CA LEU A 31 -1.603 -3.042 5.649 1.00 0.00 C ATOM 490 C LEU A 31 -1.808 -4.250 4.742 1.00 0.00 C ATOM 491 O LEU A 31 -2.838 -4.916 4.813 1.00 0.00 O ATOM 492 CB LEU A 31 -1.374 -1.752 4.851 1.00 0.00 C ATOM 493 CG LEU A 31 -2.373 -1.476 3.703 1.00 0.00 C ATOM 494 CD1 LEU A 31 -3.543 -0.518 3.887 1.00 0.00 C ATOM 495 CD2 LEU A 31 -1.601 -0.945 2.502 1.00 0.00 C ATOM 0 H LEU A 31 0.253 -2.559 6.488 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.517 -2.916 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.405 -0.910 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.369 -1.782 4.431 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.844 -2.455 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.120 -0.467 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.182 -0.875 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.165 0.474 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.293 -0.746 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.089 -0.023 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.868 -1.686 2.184 1.00 0.00 H new ATOM 507 N LEU A 32 -0.827 -4.530 3.888 1.00 0.00 N ATOM 508 CA LEU A 32 -0.892 -5.631 2.940 1.00 0.00 C ATOM 509 C LEU A 32 -1.217 -6.935 3.647 1.00 0.00 C ATOM 510 O LEU A 32 -2.003 -7.732 3.141 1.00 0.00 O ATOM 511 CB LEU A 32 0.430 -5.806 2.185 1.00 0.00 C ATOM 512 CG LEU A 32 0.860 -4.589 1.362 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.172 -4.914 0.640 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.200 -4.149 0.352 1.00 0.00 C ATOM 0 H LEU A 32 0.039 -3.994 3.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.681 -5.385 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.216 -6.038 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.342 -6.665 1.520 1.00 0.00 H new ATOM 0 HG LEU A 32 0.997 -3.755 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.486 -4.052 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.942 -5.152 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.022 -5.769 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.162 -3.282 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.402 -4.965 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.117 -3.886 0.879 1.00 0.00 H new ATOM 526 N GLN A 33 -0.612 -7.143 4.814 1.00 0.00 N ATOM 527 CA GLN A 33 -0.790 -8.357 5.573 1.00 0.00 C ATOM 528 C GLN A 33 -2.235 -8.532 6.027 1.00 0.00 C ATOM 529 O GLN A 33 -2.746 -9.647 6.014 1.00 0.00 O ATOM 530 CB GLN A 33 0.168 -8.314 6.758 1.00 0.00 C ATOM 531 CG GLN A 33 1.546 -8.865 6.374 1.00 0.00 C ATOM 532 CD GLN A 33 2.475 -9.017 7.574 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.244 -9.963 7.662 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.442 -8.098 8.526 1.00 0.00 N ATOM 0 H GLN A 33 0.014 -6.468 5.252 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.566 -9.220 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.269 -7.288 7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.243 -8.896 7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.423 -9.834 5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.008 -8.200 5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.800 -7.309 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.059 -8.179 9.334 1.00 0.00 H new ATOM 543 N THR A 34 -2.897 -7.449 6.431 1.00 0.00 N ATOM 544 CA THR A 34 -4.276 -7.543 6.884 1.00 0.00 C ATOM 545 C THR A 34 -5.243 -7.591 5.696 1.00 0.00 C ATOM 546 O THR A 34 -6.167 -8.397 5.660 1.00 0.00 O ATOM 547 CB THR A 34 -4.633 -6.333 7.765 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.612 -6.006 8.694 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.924 -6.599 8.548 1.00 0.00 C ATOM 0 H THR A 34 -2.503 -6.508 6.453 1.00 0.00 H new ATOM 0 HA THR A 34 -4.371 -8.463 7.461 1.00 0.00 H new ATOM 0 HB THR A 34 -4.759 -5.493 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.858 -5.597 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.160 -5.732 9.165 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.742 -6.782 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.789 -7.473 9.186 1.00 0.00 H new ATOM 557 N GLU A 35 -5.045 -6.679 4.744 1.00 0.00 N ATOM 558 CA GLU A 35 -5.945 -6.435 3.631 1.00 0.00 C ATOM 559 C GLU A 35 -5.779 -7.314 2.397 1.00 0.00 C ATOM 560 O GLU A 35 -6.783 -7.686 1.796 1.00 0.00 O ATOM 561 CB GLU A 35 -5.793 -4.964 3.222 1.00 0.00 C ATOM 562 CG GLU A 35 -5.991 -4.004 4.404 1.00 0.00 C ATOM 563 CD GLU A 35 -7.373 -4.124 5.040 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.338 -4.346 4.277 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.440 -3.986 6.280 1.00 0.00 O ATOM 0 H GLU A 35 -4.225 -6.073 4.732 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.937 -6.691 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.803 -4.809 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.518 -4.730 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.230 -4.203 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.841 -2.980 4.063 1.00 0.00 H new ATOM 572 N PHE A 36 -4.546 -7.624 1.986 1.00 0.00 N ATOM 573 CA PHE A 36 -4.315 -8.349 0.741 1.00 0.00 C ATOM 574 C PHE A 36 -3.391 -9.568 0.849 1.00 0.00 C ATOM 575 O PHE A 36 -2.654 -9.814 -0.101 1.00 0.00 O ATOM 576 CB PHE A 36 -3.723 -7.340 -0.263 1.00 0.00 C ATOM 577 CG PHE A 36 -4.525 -6.062 -0.443 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.767 -6.106 -1.097 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.060 -4.840 0.076 1.00 0.00 C ATOM 580 CE1 PHE A 36 -6.550 -4.948 -1.215 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.851 -3.681 -0.019 1.00 0.00 C ATOM 582 CZ PHE A 36 -6.103 -3.738 -0.656 1.00 0.00 C ATOM 0 H PHE A 36 -3.697 -7.384 2.498 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.273 -8.761 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.717 -7.076 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.627 -7.830 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.122 -7.038 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.091 -4.792 0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.496 -4.986 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.497 -2.749 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.720 -2.854 -0.716 1.00 0.00 H new ATOM 592 N PRO A 37 -3.391 -10.361 1.931 1.00 0.00 N ATOM 593 CA PRO A 37 -2.459 -11.472 2.061 1.00 0.00 C ATOM 594 C PRO A 37 -2.555 -12.435 0.877 1.00 0.00 C ATOM 595 O PRO A 37 -1.547 -12.811 0.288 1.00 0.00 O ATOM 596 CB PRO A 37 -2.767 -12.123 3.415 1.00 0.00 C ATOM 597 CG PRO A 37 -4.183 -11.648 3.749 1.00 0.00 C ATOM 598 CD PRO A 37 -4.259 -10.272 3.088 1.00 0.00 C ATOM 0 HA PRO A 37 -1.422 -11.138 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.716 -13.210 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.053 -11.812 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.939 -12.327 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.343 -11.586 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.281 -10.031 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.928 -9.488 3.770 1.00 0.00 H new ATOM 702 N THR A 45 10.678 -9.660 -0.820 1.00 0.00 N ATOM 703 CA THR A 45 11.298 -8.939 0.275 1.00 0.00 C ATOM 704 C THR A 45 10.685 -7.541 0.395 1.00 0.00 C ATOM 705 O THR A 45 10.471 -6.868 -0.610 1.00 0.00 O ATOM 706 CB THR A 45 12.818 -8.922 0.071 1.00 0.00 C ATOM 707 OG1 THR A 45 13.114 -8.956 -1.310 1.00 0.00 O ATOM 708 CG2 THR A 45 13.461 -10.160 0.699 1.00 0.00 C ATOM 0 HA THR A 45 11.107 -9.440 1.224 1.00 0.00 H new ATOM 0 HB THR A 45 13.206 -8.016 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.396 -9.422 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.539 -10.129 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.249 -10.177 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.053 -11.057 0.234 1.00 0.00 H new ATOM 716 N LEU A 46 10.408 -7.117 1.633 1.00 0.00 N ATOM 717 CA LEU A 46 9.792 -5.842 1.979 1.00 0.00 C ATOM 718 C LEU A 46 10.399 -4.694 1.184 1.00 0.00 C ATOM 719 O LEU A 46 9.681 -3.932 0.550 1.00 0.00 O ATOM 720 CB LEU A 46 9.943 -5.606 3.491 1.00 0.00 C ATOM 721 CG LEU A 46 9.518 -4.206 3.971 1.00 0.00 C ATOM 722 CD1 LEU A 46 8.069 -3.867 3.605 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.679 -4.133 5.494 1.00 0.00 C ATOM 0 H LEU A 46 10.619 -7.683 2.455 1.00 0.00 H new ATOM 0 HA LEU A 46 8.734 -5.880 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.352 -6.352 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.985 -5.769 3.768 1.00 0.00 H new ATOM 0 HG LEU A 46 10.158 -3.480 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.826 -2.869 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.951 -3.897 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.398 -4.594 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.381 -3.145 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.050 -4.890 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.721 -4.312 5.759 1.00 0.00 H new ATOM 735 N ASP A 47 11.725 -4.575 1.230 1.00 0.00 N ATOM 736 CA ASP A 47 12.453 -3.528 0.551 1.00 0.00 C ATOM 737 C ASP A 47 12.154 -3.571 -0.937 1.00 0.00 C ATOM 738 O ASP A 47 11.677 -2.589 -1.472 1.00 0.00 O ATOM 739 CB ASP A 47 13.954 -3.628 0.826 1.00 0.00 C ATOM 740 CG ASP A 47 14.697 -2.523 0.079 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.541 -1.355 0.497 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.388 -2.866 -0.902 1.00 0.00 O ATOM 0 H ASP A 47 12.323 -5.217 1.750 1.00 0.00 H new ATOM 0 HA ASP A 47 12.123 -2.565 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.142 -3.545 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.325 -4.604 0.512 1.00 0.00 H new ATOM 747 N GLU A 48 12.414 -4.695 -1.603 1.00 0.00 N ATOM 748 CA GLU A 48 12.158 -4.839 -3.030 1.00 0.00 C ATOM 749 C GLU A 48 10.719 -4.442 -3.370 1.00 0.00 C ATOM 750 O GLU A 48 10.473 -3.674 -4.296 1.00 0.00 O ATOM 751 CB GLU A 48 12.425 -6.292 -3.450 1.00 0.00 C ATOM 752 CG GLU A 48 13.892 -6.706 -3.252 1.00 0.00 C ATOM 753 CD GLU A 48 14.850 -5.856 -4.082 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.729 -5.914 -5.324 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.680 -5.161 -3.457 1.00 0.00 O ATOM 0 H GLU A 48 12.807 -5.529 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 48 12.826 -4.174 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.783 -6.957 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.154 -6.419 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.153 -6.619 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.011 -7.755 -3.524 1.00 0.00 H new ATOM 762 N LEU A 49 9.764 -4.973 -2.610 1.00 0.00 N ATOM 763 CA LEU A 49 8.348 -4.733 -2.807 1.00 0.00 C ATOM 764 C LEU A 49 7.996 -3.254 -2.664 1.00 0.00 C ATOM 765 O LEU A 49 7.505 -2.628 -3.602 1.00 0.00 O ATOM 766 CB LEU A 49 7.576 -5.638 -1.837 1.00 0.00 C ATOM 767 CG LEU A 49 6.070 -5.366 -1.801 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.421 -5.575 -3.174 1.00 0.00 C ATOM 769 CD2 LEU A 49 5.418 -6.304 -0.780 1.00 0.00 C ATOM 0 H LEU A 49 9.963 -5.594 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 49 8.060 -4.986 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.741 -6.678 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.983 -5.510 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 49 5.918 -4.325 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.352 -5.372 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.874 -4.897 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.575 -6.605 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.345 -6.117 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.597 -7.339 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.847 -6.124 0.206 1.00 0.00 H new ATOM 781 N PHE A 50 8.249 -2.681 -1.490 1.00 0.00 N ATOM 782 CA PHE A 50 7.986 -1.290 -1.207 1.00 0.00 C ATOM 783 C PHE A 50 8.755 -0.442 -2.215 1.00 0.00 C ATOM 784 O PHE A 50 8.238 0.570 -2.658 1.00 0.00 O ATOM 785 CB PHE A 50 8.411 -1.022 0.240 1.00 0.00 C ATOM 786 CG PHE A 50 8.613 0.431 0.582 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.864 1.005 0.317 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.602 1.188 1.197 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.126 2.332 0.693 1.00 0.00 C ATOM 790 CE2 PHE A 50 7.877 2.505 1.612 1.00 0.00 C ATOM 791 CZ PHE A 50 9.144 3.070 1.377 1.00 0.00 C ATOM 0 H PHE A 50 8.650 -3.188 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 50 6.931 -1.035 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.656 -1.436 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.339 -1.559 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.629 0.425 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.621 0.763 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.078 2.784 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.114 3.083 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.362 4.070 1.722 1.00 0.00 H new ATOM 801 N GLU A 51 9.970 -0.838 -2.601 1.00 0.00 N ATOM 802 CA GLU A 51 10.739 -0.057 -3.568 1.00 0.00 C ATOM 803 C GLU A 51 10.053 -0.079 -4.931 1.00 0.00 C ATOM 804 O GLU A 51 9.944 0.965 -5.566 1.00 0.00 O ATOM 805 CB GLU A 51 12.203 -0.511 -3.654 1.00 0.00 C ATOM 806 CG GLU A 51 13.031 -0.046 -2.444 1.00 0.00 C ATOM 807 CD GLU A 51 13.233 1.466 -2.425 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.008 1.946 -3.280 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.606 2.114 -1.559 1.00 0.00 O ATOM 0 H GLU A 51 10.435 -1.681 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 51 10.766 0.974 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.240 -1.598 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.649 -0.120 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.532 -0.355 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.003 -0.540 -2.461 1.00 0.00 H new ATOM 816 N GLU A 52 9.571 -1.242 -5.381 1.00 0.00 N ATOM 817 CA GLU A 52 8.845 -1.337 -6.642 1.00 0.00 C ATOM 818 C GLU A 52 7.663 -0.373 -6.573 1.00 0.00 C ATOM 819 O GLU A 52 7.398 0.385 -7.498 1.00 0.00 O ATOM 820 CB GLU A 52 8.356 -2.780 -6.860 1.00 0.00 C ATOM 821 CG GLU A 52 7.273 -2.876 -7.947 1.00 0.00 C ATOM 822 CD GLU A 52 6.804 -4.314 -8.138 1.00 0.00 C ATOM 823 OE1 GLU A 52 7.562 -5.082 -8.767 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.690 -4.617 -7.656 1.00 0.00 O ATOM 0 H GLU A 52 9.673 -2.129 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 52 9.492 -1.074 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.202 -3.409 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.961 -3.172 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.425 -2.248 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.665 -2.491 -8.889 1.00 0.00 H new ATOM 831 N LEU A 53 6.950 -0.440 -5.454 1.00 0.00 N ATOM 832 CA LEU A 53 5.777 0.360 -5.158 1.00 0.00 C ATOM 833 C LEU A 53 6.086 1.862 -5.060 1.00 0.00 C ATOM 834 O LEU A 53 5.281 2.695 -5.476 1.00 0.00 O ATOM 835 CB LEU A 53 5.202 -0.188 -3.842 1.00 0.00 C ATOM 836 CG LEU A 53 4.318 -1.417 -4.094 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.160 -2.196 -2.790 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.937 -1.016 -4.623 1.00 0.00 C ATOM 0 H LEU A 53 7.188 -1.083 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 53 5.055 0.281 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.017 -0.454 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.619 0.588 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 53 4.800 -2.037 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.533 -3.071 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.140 -2.516 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.694 -1.558 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.338 -1.911 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.439 -0.377 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.050 -0.474 -5.562 1.00 0.00 H new ATOM 850 N ASP A 54 7.237 2.220 -4.493 1.00 0.00 N ATOM 851 CA ASP A 54 7.678 3.585 -4.264 1.00 0.00 C ATOM 852 C ASP A 54 8.037 4.277 -5.584 1.00 0.00 C ATOM 853 O ASP A 54 9.208 4.452 -5.904 1.00 0.00 O ATOM 854 CB ASP A 54 8.854 3.549 -3.271 1.00 0.00 C ATOM 855 CG ASP A 54 9.221 4.912 -2.703 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.673 5.780 -3.479 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.066 5.087 -1.475 1.00 0.00 O ATOM 0 H ASP A 54 7.915 1.531 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 54 6.873 4.178 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.603 2.879 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.726 3.127 -3.771 1.00 0.00 H new ATOM 862 N LYS A 55 7.027 4.685 -6.358 1.00 0.00 N ATOM 863 CA LYS A 55 7.236 5.411 -7.608 1.00 0.00 C ATOM 864 C LYS A 55 8.032 6.692 -7.332 1.00 0.00 C ATOM 865 O LYS A 55 8.967 7.018 -8.057 1.00 0.00 O ATOM 866 CB LYS A 55 5.898 5.762 -8.278 1.00 0.00 C ATOM 867 CG LYS A 55 4.944 4.611 -8.628 1.00 0.00 C ATOM 868 CD LYS A 55 5.493 3.683 -9.717 1.00 0.00 C ATOM 869 CE LYS A 55 6.210 2.509 -9.055 1.00 0.00 C ATOM 870 NZ LYS A 55 6.799 1.587 -10.039 1.00 0.00 N ATOM 0 H LYS A 55 6.046 4.521 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 55 7.796 4.769 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.365 6.449 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.117 6.306 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.744 4.028 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.991 5.025 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.681 3.321 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.181 4.228 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.995 2.888 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.506 1.964 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.260 0.798 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.051 1.216 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.503 2.094 -10.612 1.00 0.00 H new ATOM 884 N ASN A 56 7.657 7.415 -6.274 1.00 0.00 N ATOM 885 CA ASN A 56 8.312 8.641 -5.844 1.00 0.00 C ATOM 886 C ASN A 56 7.846 8.973 -4.430 1.00 0.00 C ATOM 887 O ASN A 56 7.179 9.973 -4.191 1.00 0.00 O ATOM 888 CB ASN A 56 8.074 9.802 -6.822 1.00 0.00 C ATOM 889 CG ASN A 56 8.754 11.089 -6.351 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.189 12.171 -6.426 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.987 11.014 -5.864 1.00 0.00 N ATOM 0 H ASN A 56 6.869 7.153 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 56 9.391 8.486 -5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.452 9.531 -7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.003 9.974 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.464 11.860 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.457 10.111 -5.802 1.00 0.00 H new ATOM 898 N GLY A 57 8.211 8.101 -3.496 1.00 0.00 N ATOM 899 CA GLY A 57 7.915 8.217 -2.082 1.00 0.00 C ATOM 900 C GLY A 57 9.206 8.653 -1.402 1.00 0.00 C ATOM 901 O GLY A 57 9.284 9.723 -0.810 1.00 0.00 O ATOM 0 H GLY A 57 8.744 7.260 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.122 8.945 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.567 7.266 -1.680 1.00 0.00 H new ATOM 905 N ASP A 58 10.224 7.793 -1.507 1.00 0.00 N ATOM 906 CA ASP A 58 11.598 7.991 -1.051 1.00 0.00 C ATOM 907 C ASP A 58 11.629 8.265 0.445 1.00 0.00 C ATOM 908 O ASP A 58 12.393 9.075 0.958 1.00 0.00 O ATOM 909 CB ASP A 58 12.388 8.982 -1.931 1.00 0.00 C ATOM 910 CG ASP A 58 11.853 10.412 -1.966 1.00 0.00 C ATOM 911 OD1 ASP A 58 12.204 11.188 -1.052 1.00 0.00 O ATOM 912 OD2 ASP A 58 11.141 10.717 -2.948 1.00 0.00 O ATOM 0 H ASP A 58 10.098 6.879 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 58 12.150 7.061 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.419 9.009 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.409 8.597 -2.950 1.00 0.00 H new ATOM 917 N GLY A 59 10.765 7.528 1.133 1.00 0.00 N ATOM 918 CA GLY A 59 10.577 7.581 2.563 1.00 0.00 C ATOM 919 C GLY A 59 9.332 6.773 2.883 1.00 0.00 C ATOM 920 O GLY A 59 9.361 5.903 3.751 1.00 0.00 O ATOM 0 H GLY A 59 10.153 6.849 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.445 7.172 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.463 8.612 2.898 1.00 0.00 H new ATOM 924 N GLU A 60 8.234 7.050 2.170 1.00 0.00 N ATOM 925 CA GLU A 60 6.970 6.376 2.379 1.00 0.00 C ATOM 926 C GLU A 60 6.190 6.351 1.068 1.00 0.00 C ATOM 927 O GLU A 60 6.389 7.223 0.232 1.00 0.00 O ATOM 928 CB GLU A 60 6.158 7.174 3.395 1.00 0.00 C ATOM 929 CG GLU A 60 6.858 7.484 4.716 1.00 0.00 C ATOM 930 CD GLU A 60 5.858 8.083 5.694 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.656 9.315 5.603 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.301 7.289 6.484 1.00 0.00 O ATOM 0 H GLU A 60 8.209 7.753 1.431 1.00 0.00 H new ATOM 0 HA GLU A 60 7.148 5.360 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.861 8.116 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.243 6.623 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.290 6.574 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.680 8.180 4.549 1.00 0.00 H new ATOM 939 N VAL A 61 5.289 5.384 0.917 1.00 0.00 N ATOM 940 CA VAL A 61 4.407 5.237 -0.238 1.00 0.00 C ATOM 941 C VAL A 61 3.251 6.215 0.006 1.00 0.00 C ATOM 942 O VAL A 61 3.203 6.865 1.042 1.00 0.00 O ATOM 943 CB VAL A 61 3.956 3.757 -0.375 1.00 0.00 C ATOM 944 CG1 VAL A 61 2.902 3.485 -1.458 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.175 2.903 -0.746 1.00 0.00 C ATOM 0 H VAL A 61 5.148 4.657 1.618 1.00 0.00 H new ATOM 0 HA VAL A 61 4.891 5.473 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 61 3.509 3.511 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.658 2.423 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.002 4.062 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.296 3.777 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.872 1.861 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.590 3.252 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.930 2.988 0.035 1.00 0.00 H new ATOM 955 N SER A 62 2.297 6.333 -0.907 1.00 0.00 N ATOM 956 CA SER A 62 1.120 7.175 -0.782 1.00 0.00 C ATOM 957 C SER A 62 0.059 6.542 -1.672 1.00 0.00 C ATOM 958 O SER A 62 0.404 5.704 -2.509 1.00 0.00 O ATOM 959 CB SER A 62 1.412 8.625 -1.177 1.00 0.00 C ATOM 960 OG SER A 62 1.773 8.695 -2.540 1.00 0.00 O ATOM 0 H SER A 62 2.325 5.823 -1.790 1.00 0.00 H new ATOM 0 HA SER A 62 0.781 7.229 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.534 9.244 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.217 9.023 -0.559 1.00 0.00 H new ATOM 0 HG SER A 62 2.711 8.432 -2.644 1.00 0.00 H new ATOM 966 N PHE A 63 -1.212 6.916 -1.506 1.00 0.00 N ATOM 967 CA PHE A 63 -2.298 6.373 -2.314 1.00 0.00 C ATOM 968 C PHE A 63 -1.921 6.402 -3.799 1.00 0.00 C ATOM 969 O PHE A 63 -2.105 5.417 -4.511 1.00 0.00 O ATOM 970 CB PHE A 63 -3.613 7.069 -1.987 1.00 0.00 C ATOM 971 CG PHE A 63 -4.767 6.634 -2.866 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.957 7.200 -4.142 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.520 5.510 -2.488 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.925 6.661 -5.009 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.592 5.078 -3.289 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.815 5.678 -4.540 1.00 0.00 C ATOM 0 H PHE A 63 -1.512 7.600 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.456 5.323 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.868 6.874 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.478 8.146 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.361 8.045 -4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.275 4.977 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.985 7.001 -6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.242 4.288 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.665 5.386 -5.138 1.00 0.00 H new ATOM 986 N GLU A 64 -1.358 7.535 -4.229 1.00 0.00 N ATOM 987 CA GLU A 64 -0.876 7.812 -5.573 1.00 0.00 C ATOM 988 C GLU A 64 -0.162 6.605 -6.196 1.00 0.00 C ATOM 989 O GLU A 64 -0.535 6.106 -7.252 1.00 0.00 O ATOM 990 CB GLU A 64 0.114 8.992 -5.481 1.00 0.00 C ATOM 991 CG GLU A 64 0.410 9.581 -6.865 1.00 0.00 C ATOM 992 CD GLU A 64 1.472 10.671 -6.778 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.662 10.292 -6.707 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.074 11.856 -6.772 1.00 0.00 O ATOM 0 H GLU A 64 -1.221 8.329 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.730 8.046 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.299 9.766 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.043 8.655 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.748 8.791 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.504 9.992 -7.292 1.00 0.00 H new ATOM 1001 N GLU A 65 0.892 6.162 -5.516 1.00 0.00 N ATOM 1002 CA GLU A 65 1.786 5.092 -5.939 1.00 0.00 C ATOM 1003 C GLU A 65 1.153 3.746 -5.609 1.00 0.00 C ATOM 1004 O GLU A 65 1.276 2.784 -6.364 1.00 0.00 O ATOM 1005 CB GLU A 65 3.187 5.255 -5.308 1.00 0.00 C ATOM 1006 CG GLU A 65 3.291 6.477 -4.387 1.00 0.00 C ATOM 1007 CD GLU A 65 4.685 6.804 -3.869 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.668 6.417 -4.536 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.723 7.464 -2.809 1.00 0.00 O ATOM 0 H GLU A 65 1.157 6.558 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 65 1.930 5.143 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.430 4.357 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.929 5.341 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.911 7.346 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.634 6.320 -3.531 1.00 0.00 H new ATOM 1016 N PHE A 66 0.448 3.689 -4.477 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.256 2.492 -4.031 1.00 0.00 C ATOM 1018 C PHE A 66 -1.208 1.967 -5.117 1.00 0.00 C ATOM 1019 O PHE A 66 -1.518 0.778 -5.123 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.938 2.781 -2.691 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.063 1.853 -2.283 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.800 0.512 -1.956 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.384 2.336 -2.235 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.863 -0.356 -1.647 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.432 1.489 -1.845 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.177 0.136 -1.571 1.00 0.00 C ATOM 0 H PHE A 66 0.351 4.481 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 66 0.452 1.680 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.177 2.756 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.330 3.797 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.783 0.148 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.592 3.362 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.669 -1.403 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.436 1.878 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.988 -0.525 -1.303 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.651 2.802 -6.067 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.470 2.312 -7.173 1.00 0.00 C ATOM 1038 C GLN A 67 -1.786 1.159 -7.927 1.00 0.00 C ATOM 1039 O GLN A 67 -2.457 0.313 -8.511 1.00 0.00 O ATOM 1040 CB GLN A 67 -2.996 3.438 -8.081 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.672 4.578 -7.319 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.704 4.017 -6.352 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.821 3.690 -6.728 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.346 3.885 -5.088 1.00 0.00 N ATOM 0 H GLN A 67 -1.458 3.803 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.370 1.881 -6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.166 3.842 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.707 3.017 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.925 5.154 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.152 5.261 -8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.410 4.163 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.005 3.505 -4.408 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.452 1.077 -7.891 1.00 0.00 N ATOM 1054 CA VAL A 68 0.264 -0.046 -8.483 1.00 0.00 C ATOM 1055 C VAL A 68 -0.168 -1.330 -7.752 1.00 0.00 C ATOM 1056 O VAL A 68 -0.380 -2.367 -8.375 1.00 0.00 O ATOM 1057 CB VAL A 68 1.779 0.211 -8.411 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.588 -1.012 -8.860 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.159 1.403 -9.299 1.00 0.00 C ATOM 0 H VAL A 68 0.149 1.777 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 68 0.022 -0.164 -9.539 1.00 0.00 H new ATOM 0 HB VAL A 68 2.017 0.424 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.653 -0.788 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.355 -1.859 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.332 -1.259 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.234 1.574 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.883 1.190 -10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.631 2.293 -8.958 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.338 -1.266 -6.429 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.795 -2.392 -5.626 1.00 0.00 C ATOM 1071 C LEU A 69 -2.222 -2.706 -6.084 1.00 0.00 C ATOM 1072 O LEU A 69 -2.543 -3.850 -6.400 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.747 -2.007 -4.139 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.658 -3.168 -3.137 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.719 -4.244 -3.351 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.739 -3.793 -3.123 1.00 0.00 C ATOM 0 H LEU A 69 -0.160 -0.422 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.164 -3.272 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.111 -1.354 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.638 -1.423 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.857 -2.723 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.594 -5.031 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.710 -3.803 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.611 -4.668 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.765 -4.611 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.976 -4.176 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.473 -3.038 -2.841 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.070 -1.671 -6.141 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.450 -1.791 -6.611 1.00 0.00 C ATOM 1090 C VAL A 70 -4.492 -2.510 -7.968 1.00 0.00 C ATOM 1091 O VAL A 70 -5.402 -3.289 -8.228 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.159 -0.427 -6.650 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.591 -0.573 -7.182 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.186 0.209 -5.251 1.00 0.00 C ATOM 0 H VAL A 70 -2.814 -0.724 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.003 -2.400 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.599 0.223 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.074 0.404 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.564 -0.984 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.154 -1.243 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.692 1.173 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.720 -0.447 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.165 0.352 -4.897 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.516 -2.272 -8.844 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.447 -2.970 -10.112 1.00 0.00 C ATOM 1106 C LYS A 71 -3.018 -4.430 -9.889 1.00 0.00 C ATOM 1107 O LYS A 71 -3.628 -5.349 -10.437 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.482 -2.211 -11.029 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.426 -2.794 -12.445 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.307 -2.124 -13.248 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.628 -0.666 -13.601 1.00 0.00 C ATOM 1112 NZ LYS A 71 -0.581 -0.083 -14.458 1.00 0.00 N ATOM 0 H LYS A 71 -2.765 -1.599 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.426 -3.001 -10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.786 -1.166 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.483 -2.230 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.256 -3.870 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.383 -2.645 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.381 -2.160 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.135 -2.687 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.590 -0.616 -14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.722 -0.080 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.824 0.903 -14.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.331 -0.110 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.510 -0.630 -15.340 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.963 -4.673 -9.102 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.440 -5.996 -8.894 1.00 0.00 C ATOM 1128 C LYS A 72 -2.335 -6.944 -8.088 1.00 0.00 C ATOM 1129 O LYS A 72 -2.162 -8.157 -8.192 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.026 -5.921 -8.347 1.00 0.00 C ATOM 1131 CG LYS A 72 0.979 -5.290 -9.324 1.00 0.00 C ATOM 1132 CD LYS A 72 2.350 -5.962 -9.158 1.00 0.00 C ATOM 1133 CE LYS A 72 3.398 -5.394 -10.121 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.742 -4.000 -9.796 1.00 0.00 N ATOM 0 H LYS A 72 -1.458 -3.944 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.419 -6.462 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.033 -5.343 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.310 -6.926 -8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.627 -5.407 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.062 -4.220 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.694 -5.831 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.249 -7.034 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.297 -6.009 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.019 -5.446 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.389 -3.625 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.876 -3.425 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.205 -3.965 -8.865 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.297 -6.455 -7.302 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.189 -7.380 -6.594 1.00 0.00 C ATOM 1150 C ILE A 73 -4.970 -8.233 -7.601 1.00 0.00 C ATOM 1151 O ILE A 73 -5.327 -9.372 -7.316 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.153 -6.662 -5.644 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.773 -5.441 -6.320 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.416 -6.248 -4.368 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.096 -5.030 -5.692 1.00 0.00 C ATOM 0 H ILE A 73 -3.476 -5.464 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.560 -8.023 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.958 -7.349 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.074 -4.606 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.929 -5.656 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.108 -5.738 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.018 -7.134 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.596 -5.576 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.490 -4.157 -6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.807 -5.852 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.940 -4.786 -4.641 1.00 0.00 H new ATOM 1167 N SER A 74 -5.204 -7.706 -8.806 1.00 0.00 N ATOM 1168 CA SER A 74 -5.854 -8.406 -9.897 1.00 0.00 C ATOM 1169 C SER A 74 -4.752 -9.038 -10.756 1.00 0.00 C ATOM 1170 O SER A 74 -4.909 -9.202 -11.961 1.00 0.00 O ATOM 1171 CB SER A 74 -6.719 -7.396 -10.671 1.00 0.00 C ATOM 1172 OG SER A 74 -6.232 -6.070 -10.534 1.00 0.00 O ATOM 0 H SER A 74 -4.935 -6.752 -9.048 1.00 0.00 H new ATOM 0 HA SER A 74 -6.516 -9.202 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.739 -7.668 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.746 -7.445 -10.309 1.00 0.00 H new ATOM 0 HG SER A 74 -5.263 -6.060 -10.683 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.610 -9.369 -10.145 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.438 -9.940 -10.784 1.00 0.00 C ATOM 1180 C GLN A 75 -1.814 -10.976 -9.851 1.00 0.00 C ATOM 1181 O GLN A 75 -1.989 -12.176 -10.057 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.454 -8.797 -11.088 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.703 -9.002 -12.406 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.492 -8.531 -13.632 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.919 -8.317 -14.690 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.804 -8.344 -13.545 1.00 0.00 N ATOM 0 H GLN A 75 -3.480 -9.236 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.701 -10.440 -11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.999 -7.854 -11.128 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.735 -8.715 -10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.244 -8.465 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.465 -10.060 -12.520 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.287 -8.521 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.329 -8.023 -14.359 1.00 0.00 H new