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= 0.972 K(o=3.4,f=1.4) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.41 K(o=3.4,f=1.4) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= 0.202 (180deg=-0.162) USER MOD Single : A 12 LYS NZ :NH3+ -112:sc= 0.707 (180deg=-0.0587) USER MOD Single : A 13 TYR OH : rot 3:sc= 1.12 USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= 0.284 (180deg=-0.00474) USER MOD Single : A 24 SER OG : rot -169:sc= 1.7 USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= 0.118 (180deg=0.00219) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.2) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.09 USER MOD Single : A 45 THR OG1 : rot 170:sc= 0.272 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0342) USER MOD Single : A 56 ASN : amide:sc= 2.05 K(o=2,f=-3.5!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0028 USER MOD Single : A 67 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0.646 (180deg=0.624) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -13.038 1.216 -5.593 1.00 0.00 N ATOM 37 CA PRO A 3 -11.709 1.697 -5.215 1.00 0.00 C ATOM 38 C PRO A 3 -11.710 2.441 -3.874 1.00 0.00 C ATOM 39 O PRO A 3 -10.705 2.452 -3.168 1.00 0.00 O ATOM 40 CB PRO A 3 -11.251 2.603 -6.360 1.00 0.00 C ATOM 41 CG PRO A 3 -11.979 2.011 -7.566 1.00 0.00 C ATOM 42 CD PRO A 3 -13.326 1.601 -6.970 1.00 0.00 C ATOM 0 HA PRO A 3 -11.027 0.860 -5.067 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.529 3.643 -6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.169 2.579 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.095 2.740 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.444 1.159 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.039 2.425 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.766 0.773 -7.526 1.00 0.00 H new ATOM 50 N GLU A 4 -12.849 3.047 -3.519 1.00 0.00 N ATOM 51 CA GLU A 4 -13.074 3.727 -2.254 1.00 0.00 C ATOM 52 C GLU A 4 -12.589 2.844 -1.099 1.00 0.00 C ATOM 53 O GLU A 4 -12.001 3.358 -0.155 1.00 0.00 O ATOM 54 CB GLU A 4 -14.569 4.067 -2.138 1.00 0.00 C ATOM 55 CG GLU A 4 -14.924 4.917 -0.906 1.00 0.00 C ATOM 56 CD GLU A 4 -14.934 4.139 0.410 1.00 0.00 C ATOM 57 OE1 GLU A 4 -15.409 2.983 0.389 1.00 0.00 O ATOM 58 OE2 GLU A 4 -14.473 4.720 1.417 1.00 0.00 O ATOM 0 H GLU A 4 -13.664 3.074 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.508 4.657 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.881 4.600 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.140 3.139 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.209 5.736 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.906 5.365 -1.058 1.00 0.00 H new ATOM 65 N GLU A 5 -12.813 1.527 -1.171 1.00 0.00 N ATOM 66 CA GLU A 5 -12.364 0.615 -0.128 1.00 0.00 C ATOM 67 C GLU A 5 -10.859 0.758 0.073 1.00 0.00 C ATOM 68 O GLU A 5 -10.364 0.943 1.179 1.00 0.00 O ATOM 69 CB GLU A 5 -12.611 -0.846 -0.514 1.00 0.00 C ATOM 70 CG GLU A 5 -14.091 -1.174 -0.644 1.00 0.00 C ATOM 71 CD GLU A 5 -14.275 -2.677 -0.831 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.773 -3.187 -1.857 1.00 0.00 O ATOM 73 OE2 GLU A 5 -14.911 -3.288 0.053 1.00 0.00 O ATOM 0 H GLU A 5 -13.303 1.075 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.922 0.868 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.111 -1.058 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.163 -1.497 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.626 -0.841 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.518 -0.638 -1.492 1.00 0.00 H new ATOM 80 N LEU A 6 -10.143 0.660 -1.043 1.00 0.00 N ATOM 81 CA LEU A 6 -8.693 0.688 -1.093 1.00 0.00 C ATOM 82 C LEU A 6 -8.201 2.055 -0.635 1.00 0.00 C ATOM 83 O LEU A 6 -7.215 2.152 0.089 1.00 0.00 O ATOM 84 CB LEU A 6 -8.205 0.295 -2.494 1.00 0.00 C ATOM 85 CG LEU A 6 -8.718 -1.094 -2.928 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.273 -1.380 -4.364 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.201 -2.216 -2.019 1.00 0.00 C ATOM 0 H LEU A 6 -10.573 0.556 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.269 -0.048 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.537 1.043 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.115 0.298 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.805 -1.073 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.636 -2.361 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.681 -0.619 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.184 -1.363 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.590 -3.173 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.112 -2.235 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.534 -2.038 -0.996 1.00 0.00 H new ATOM 99 N LYS A 7 -8.893 3.118 -1.038 1.00 0.00 N ATOM 100 CA LYS A 7 -8.583 4.469 -0.606 1.00 0.00 C ATOM 101 C LYS A 7 -8.734 4.589 0.914 1.00 0.00 C ATOM 102 O LYS A 7 -7.849 5.111 1.593 1.00 0.00 O ATOM 103 CB LYS A 7 -9.488 5.439 -1.374 1.00 0.00 C ATOM 104 CG LYS A 7 -8.919 6.862 -1.354 1.00 0.00 C ATOM 105 CD LYS A 7 -9.718 7.768 -2.299 1.00 0.00 C ATOM 106 CE LYS A 7 -9.110 9.174 -2.374 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.767 9.161 -2.987 1.00 0.00 N ATOM 0 H LYS A 7 -9.687 3.061 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.546 4.721 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.595 5.102 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.485 5.437 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.955 7.261 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.871 6.846 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.741 7.327 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.750 7.834 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.767 9.823 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.047 9.596 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.721 9.880 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.052 9.371 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.581 8.223 -3.395 1.00 0.00 H new ATOM 121 N GLY A 8 -9.848 4.088 1.451 1.00 0.00 N ATOM 122 CA GLY A 8 -10.142 4.111 2.871 1.00 0.00 C ATOM 123 C GLY A 8 -9.049 3.359 3.620 1.00 0.00 C ATOM 124 O GLY A 8 -8.466 3.878 4.563 1.00 0.00 O ATOM 0 H GLY A 8 -10.580 3.648 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.201 5.140 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.112 3.652 3.061 1.00 0.00 H new ATOM 128 N ILE A 9 -8.765 2.132 3.184 1.00 0.00 N ATOM 129 CA ILE A 9 -7.738 1.270 3.750 1.00 0.00 C ATOM 130 C ILE A 9 -6.383 1.988 3.726 1.00 0.00 C ATOM 131 O ILE A 9 -5.707 2.072 4.750 1.00 0.00 O ATOM 132 CB ILE A 9 -7.739 -0.052 2.964 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.012 -0.871 3.256 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.475 -0.881 3.199 1.00 0.00 C ATOM 135 CD1 ILE A 9 -8.920 -1.755 4.505 1.00 0.00 C ATOM 0 H ILE A 9 -9.261 1.701 2.403 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.940 1.040 4.796 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.740 0.212 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.852 -0.186 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.230 -1.502 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.531 -1.802 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.601 -0.309 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.391 -1.123 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.857 -2.296 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.103 -2.467 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.735 -1.131 5.379 1.00 0.00 H new ATOM 147 N PHE A 10 -5.985 2.513 2.562 1.00 0.00 N ATOM 148 CA PHE A 10 -4.735 3.247 2.395 1.00 0.00 C ATOM 149 C PHE A 10 -4.657 4.338 3.456 1.00 0.00 C ATOM 150 O PHE A 10 -3.693 4.394 4.210 1.00 0.00 O ATOM 151 CB PHE A 10 -4.652 3.872 0.992 1.00 0.00 C ATOM 152 CG PHE A 10 -3.478 4.817 0.798 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.561 6.129 1.305 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.225 4.326 0.389 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.405 6.747 1.803 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.067 5.078 0.654 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.150 6.223 1.466 1.00 0.00 C ATOM 0 H PHE A 10 -6.530 2.437 1.703 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.898 2.558 2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.586 3.073 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.577 4.414 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.505 6.653 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.153 3.379 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.481 7.617 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.118 4.778 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.250 6.697 1.829 1.00 0.00 H new ATOM 167 N GLU A 11 -5.675 5.204 3.506 1.00 0.00 N ATOM 168 CA GLU A 11 -5.723 6.306 4.452 1.00 0.00 C ATOM 169 C GLU A 11 -5.616 5.776 5.884 1.00 0.00 C ATOM 170 O GLU A 11 -4.826 6.277 6.679 1.00 0.00 O ATOM 171 CB GLU A 11 -7.011 7.108 4.222 1.00 0.00 C ATOM 172 CG GLU A 11 -7.025 8.408 5.035 1.00 0.00 C ATOM 173 CD GLU A 11 -8.283 9.221 4.747 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.288 9.904 3.700 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.220 9.130 5.568 1.00 0.00 O ATOM 0 H GLU A 11 -6.485 5.154 2.888 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.877 6.975 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.110 7.341 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.872 6.499 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.974 8.176 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.142 9.001 4.795 1.00 0.00 H new ATOM 182 N LYS A 12 -6.413 4.757 6.206 1.00 0.00 N ATOM 183 CA LYS A 12 -6.452 4.140 7.517 1.00 0.00 C ATOM 184 C LYS A 12 -5.049 3.733 7.947 1.00 0.00 C ATOM 185 O LYS A 12 -4.618 4.125 9.027 1.00 0.00 O ATOM 186 CB LYS A 12 -7.435 2.960 7.535 1.00 0.00 C ATOM 187 CG LYS A 12 -7.705 2.477 8.968 1.00 0.00 C ATOM 188 CD LYS A 12 -8.928 1.552 9.050 1.00 0.00 C ATOM 189 CE LYS A 12 -8.760 0.231 8.290 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.664 -0.586 8.839 1.00 0.00 N ATOM 0 H LYS A 12 -7.061 4.333 5.542 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.819 4.866 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.373 3.259 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.031 2.139 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.828 1.950 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.860 3.339 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.136 1.333 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.797 2.079 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.691 -0.334 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.565 0.440 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.888 -0.636 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.316 -0.154 9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.012 -1.545 9.038 1.00 0.00 H new ATOM 204 N TYR A 13 -4.325 2.961 7.129 1.00 0.00 N ATOM 205 CA TYR A 13 -2.977 2.574 7.510 1.00 0.00 C ATOM 206 C TYR A 13 -2.053 3.787 7.508 1.00 0.00 C ATOM 207 O TYR A 13 -1.347 4.000 8.490 1.00 0.00 O ATOM 208 CB TYR A 13 -2.465 1.419 6.646 1.00 0.00 C ATOM 209 CG TYR A 13 -2.958 0.086 7.159 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.249 -0.337 6.807 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.219 -0.640 8.117 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.831 -1.433 7.453 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.850 -1.667 8.840 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.163 -2.046 8.526 1.00 0.00 C ATOM 215 OH TYR A 13 -4.794 -2.970 9.301 1.00 0.00 O ATOM 0 H TYR A 13 -4.643 2.605 6.228 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.993 2.195 8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.795 1.559 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.375 1.426 6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.795 0.185 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.179 -0.409 8.293 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.791 -1.807 7.128 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.322 -2.166 9.640 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.695 -3.130 8.951 1.00 0.00 H new ATOM 225 N ALA A 14 -2.045 4.594 6.444 1.00 0.00 N ATOM 226 CA ALA A 14 -1.173 5.763 6.380 1.00 0.00 C ATOM 227 C ALA A 14 -1.298 6.652 7.623 1.00 0.00 C ATOM 228 O ALA A 14 -0.312 7.211 8.088 1.00 0.00 O ATOM 229 CB ALA A 14 -1.470 6.546 5.104 1.00 0.00 C ATOM 0 H ALA A 14 -2.631 4.458 5.620 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.139 5.417 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.820 7.420 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.291 5.910 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.511 6.868 5.109 1.00 0.00 H new ATOM 235 N ALA A 15 -2.507 6.781 8.172 1.00 0.00 N ATOM 236 CA ALA A 15 -2.779 7.598 9.344 1.00 0.00 C ATOM 237 C ALA A 15 -2.104 7.119 10.635 1.00 0.00 C ATOM 238 O ALA A 15 -2.106 7.871 11.605 1.00 0.00 O ATOM 239 CB ALA A 15 -4.293 7.717 9.535 1.00 0.00 C ATOM 0 H ALA A 15 -3.334 6.311 7.805 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.335 8.574 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.502 8.329 10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.735 8.183 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.721 6.724 9.674 1.00 0.00 H new ATOM 245 N LYS A 16 -1.543 5.905 10.695 1.00 0.00 N ATOM 246 CA LYS A 16 -0.907 5.437 11.921 1.00 0.00 C ATOM 247 C LYS A 16 0.389 6.210 12.182 1.00 0.00 C ATOM 248 O LYS A 16 0.546 6.824 13.235 1.00 0.00 O ATOM 249 CB LYS A 16 -0.673 3.917 11.864 1.00 0.00 C ATOM 250 CG LYS A 16 -1.370 3.146 12.994 1.00 0.00 C ATOM 251 CD LYS A 16 -2.904 3.245 12.999 1.00 0.00 C ATOM 252 CE LYS A 16 -3.506 2.807 11.664 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.976 2.849 11.697 1.00 0.00 N ATOM 0 H LYS A 16 -1.519 5.242 9.920 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.575 5.629 12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.027 3.539 10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.398 3.721 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.089 2.095 12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.994 3.513 13.949 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.306 2.624 13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.201 4.272 13.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.140 3.456 10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.175 1.796 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.331 3.279 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.349 1.882 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.289 3.416 12.511 1.00 0.00 H new ATOM 267 N GLU A 17 1.325 6.167 11.233 1.00 0.00 N ATOM 268 CA GLU A 17 2.609 6.843 11.346 1.00 0.00 C ATOM 269 C GLU A 17 2.489 8.289 10.843 1.00 0.00 C ATOM 270 O GLU A 17 1.434 8.726 10.390 1.00 0.00 O ATOM 271 CB GLU A 17 3.676 6.003 10.621 1.00 0.00 C ATOM 272 CG GLU A 17 5.124 6.339 11.011 1.00 0.00 C ATOM 273 CD GLU A 17 6.054 5.159 10.745 1.00 0.00 C ATOM 274 OE1 GLU A 17 6.559 5.075 9.605 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.229 4.346 11.677 1.00 0.00 O ATOM 0 H GLU A 17 1.208 5.656 10.358 1.00 0.00 H new ATOM 0 HA GLU A 17 2.926 6.924 12.386 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.493 4.949 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.561 6.142 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.463 7.208 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.166 6.608 12.066 1.00 0.00 H new ATOM 282 N GLY A 18 3.579 9.048 10.941 1.00 0.00 N ATOM 283 CA GLY A 18 3.623 10.437 10.517 1.00 0.00 C ATOM 284 C GLY A 18 3.244 10.603 9.043 1.00 0.00 C ATOM 285 O GLY A 18 3.708 9.848 8.195 1.00 0.00 O ATOM 0 H GLY A 18 4.462 8.708 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.944 11.025 11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.625 10.833 10.680 1.00 0.00 H new ATOM 289 N ASP A 19 2.413 11.614 8.764 1.00 0.00 N ATOM 290 CA ASP A 19 1.914 12.007 7.452 1.00 0.00 C ATOM 291 C ASP A 19 0.838 11.040 6.922 1.00 0.00 C ATOM 292 O ASP A 19 1.176 10.043 6.284 1.00 0.00 O ATOM 293 CB ASP A 19 3.054 12.219 6.446 1.00 0.00 C ATOM 294 CG ASP A 19 2.586 13.020 5.235 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.382 12.922 4.905 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.446 13.733 4.669 1.00 0.00 O ATOM 0 H ASP A 19 2.050 12.217 9.503 1.00 0.00 H new ATOM 0 HA ASP A 19 1.423 12.972 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.878 12.740 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.437 11.252 6.119 1.00 0.00 H new ATOM 301 N PRO A 20 -0.461 11.323 7.144 1.00 0.00 N ATOM 302 CA PRO A 20 -1.550 10.449 6.721 1.00 0.00 C ATOM 303 C PRO A 20 -1.652 10.232 5.207 1.00 0.00 C ATOM 304 O PRO A 20 -2.458 9.415 4.771 1.00 0.00 O ATOM 305 CB PRO A 20 -2.832 11.054 7.306 1.00 0.00 C ATOM 306 CG PRO A 20 -2.482 12.528 7.481 1.00 0.00 C ATOM 307 CD PRO A 20 -0.998 12.487 7.837 1.00 0.00 C ATOM 0 HA PRO A 20 -1.365 9.442 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.681 10.920 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.098 10.589 8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.663 13.097 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.074 12.993 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.493 13.400 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.855 12.402 8.914 1.00 0.00 H new ATOM 315 N ASN A 21 -0.861 10.928 4.387 1.00 0.00 N ATOM 316 CA ASN A 21 -0.868 10.728 2.947 1.00 0.00 C ATOM 317 C ASN A 21 0.122 9.623 2.556 1.00 0.00 C ATOM 318 O ASN A 21 0.068 9.149 1.421 1.00 0.00 O ATOM 319 CB ASN A 21 -0.531 12.058 2.268 1.00 0.00 C ATOM 320 CG ASN A 21 -0.305 11.906 0.769 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.236 11.765 -0.011 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.945 11.935 0.337 1.00 0.00 N ATOM 0 H ASN A 21 -0.204 11.640 4.706 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.855 10.404 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.342 12.766 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.363 12.480 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.143 11.839 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.711 12.053 1.000 1.00 0.00 H new ATOM 329 N GLN A 22 1.022 9.204 3.461 1.00 0.00 N ATOM 330 CA GLN A 22 2.039 8.207 3.154 1.00 0.00 C ATOM 331 C GLN A 22 1.949 6.893 3.943 1.00 0.00 C ATOM 332 O GLN A 22 1.760 6.880 5.152 1.00 0.00 O ATOM 333 CB GLN A 22 3.436 8.798 3.379 1.00 0.00 C ATOM 334 CG GLN A 22 3.948 9.697 2.245 1.00 0.00 C ATOM 335 CD GLN A 22 3.887 11.151 2.660 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.012 11.895 2.240 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.818 11.578 3.498 1.00 0.00 N ATOM 0 H GLN A 22 1.058 9.550 4.420 1.00 0.00 H new ATOM 0 HA GLN A 22 1.854 7.951 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.426 9.375 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.142 7.980 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.973 9.427 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.347 9.542 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.536 10.936 3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.817 12.549 3.809 1.00 0.00 H new ATOM 346 N LEU A 23 2.152 5.780 3.233 1.00 0.00 N ATOM 347 CA LEU A 23 2.259 4.432 3.771 1.00 0.00 C ATOM 348 C LEU A 23 3.755 4.154 3.922 1.00 0.00 C ATOM 349 O LEU A 23 4.423 3.875 2.932 1.00 0.00 O ATOM 350 CB LEU A 23 1.716 3.410 2.765 1.00 0.00 C ATOM 351 CG LEU A 23 0.236 3.057 2.890 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.135 2.107 1.742 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.111 2.339 4.191 1.00 0.00 C ATOM 0 H LEU A 23 2.250 5.802 2.218 1.00 0.00 H new ATOM 0 HA LEU A 23 1.704 4.353 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.893 3.793 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.296 2.492 2.863 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.313 3.998 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.190 1.843 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.051 2.600 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.470 1.203 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.178 2.119 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.453 1.408 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.145 2.976 5.038 1.00 0.00 H new ATOM 365 N SER A 24 4.311 4.219 5.125 1.00 0.00 N ATOM 366 CA SER A 24 5.736 3.952 5.292 1.00 0.00 C ATOM 367 C SER A 24 6.045 2.489 4.969 1.00 0.00 C ATOM 368 O SER A 24 5.137 1.667 4.888 1.00 0.00 O ATOM 369 CB SER A 24 6.210 4.333 6.697 1.00 0.00 C ATOM 370 OG SER A 24 5.795 3.382 7.657 1.00 0.00 O ATOM 0 H SER A 24 3.811 4.449 5.984 1.00 0.00 H new ATOM 0 HA SER A 24 6.288 4.575 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.297 4.412 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.817 5.315 6.962 1.00 0.00 H new ATOM 0 HG SER A 24 5.958 3.733 8.557 1.00 0.00 H new ATOM 376 N LYS A 25 7.324 2.146 4.803 1.00 0.00 N ATOM 377 CA LYS A 25 7.746 0.762 4.587 1.00 0.00 C ATOM 378 C LYS A 25 7.159 -0.108 5.697 1.00 0.00 C ATOM 379 O LYS A 25 6.565 -1.160 5.464 1.00 0.00 O ATOM 380 CB LYS A 25 9.283 0.740 4.485 1.00 0.00 C ATOM 381 CG LYS A 25 10.035 -0.528 4.928 1.00 0.00 C ATOM 382 CD LYS A 25 10.320 -0.685 6.433 1.00 0.00 C ATOM 383 CE LYS A 25 10.904 0.584 7.068 1.00 0.00 C ATOM 384 NZ LYS A 25 11.300 0.357 8.470 1.00 0.00 N ATOM 0 H LYS A 25 8.092 2.817 4.814 1.00 0.00 H new ATOM 0 HA LYS A 25 7.370 0.343 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.548 0.936 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.665 1.574 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.460 -1.394 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.987 -0.559 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.396 -0.949 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.015 -1.512 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.770 0.913 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.167 1.386 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.141 0.928 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.520 0.632 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.519 -0.650 8.610 1.00 0.00 H new ATOM 398 N GLU A 26 7.319 0.384 6.919 1.00 0.00 N ATOM 399 CA GLU A 26 6.797 -0.248 8.119 1.00 0.00 C ATOM 400 C GLU A 26 5.266 -0.315 8.044 1.00 0.00 C ATOM 401 O GLU A 26 4.672 -1.351 8.322 1.00 0.00 O ATOM 402 CB GLU A 26 7.300 0.509 9.361 1.00 0.00 C ATOM 403 CG GLU A 26 7.943 -0.454 10.366 1.00 0.00 C ATOM 404 CD GLU A 26 8.665 0.307 11.472 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.785 0.783 11.181 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.087 0.402 12.575 1.00 0.00 O ATOM 0 H GLU A 26 7.825 1.250 7.105 1.00 0.00 H new ATOM 0 HA GLU A 26 7.159 -1.273 8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.025 1.266 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.469 1.033 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.176 -1.094 10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.647 -1.106 9.850 1.00 0.00 H new ATOM 413 N GLU A 27 4.617 0.787 7.663 1.00 0.00 N ATOM 414 CA GLU A 27 3.168 0.837 7.554 1.00 0.00 C ATOM 415 C GLU A 27 2.633 -0.198 6.561 1.00 0.00 C ATOM 416 O GLU A 27 1.644 -0.879 6.838 1.00 0.00 O ATOM 417 CB GLU A 27 2.726 2.252 7.159 1.00 0.00 C ATOM 418 CG GLU A 27 1.304 2.560 7.624 1.00 0.00 C ATOM 419 CD GLU A 27 1.260 2.893 9.108 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.542 4.067 9.429 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.959 1.969 9.892 1.00 0.00 O ATOM 0 H GLU A 27 5.083 1.662 7.424 1.00 0.00 H new ATOM 0 HA GLU A 27 2.747 0.589 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.414 2.980 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.784 2.361 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.906 3.397 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.661 1.703 7.424 1.00 0.00 H new ATOM 428 N LEU A 28 3.277 -0.321 5.396 1.00 0.00 N ATOM 429 CA LEU A 28 2.852 -1.271 4.389 1.00 0.00 C ATOM 430 C LEU A 28 2.819 -2.670 4.997 1.00 0.00 C ATOM 431 O LEU A 28 1.877 -3.413 4.756 1.00 0.00 O ATOM 432 CB LEU A 28 3.779 -1.214 3.166 1.00 0.00 C ATOM 433 CG LEU A 28 3.188 -1.973 1.962 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.031 -1.207 1.307 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.261 -2.236 0.903 1.00 0.00 C ATOM 0 H LEU A 28 4.095 0.231 5.136 1.00 0.00 H new ATOM 0 HA LEU A 28 1.849 -1.015 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.953 -0.174 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.748 -1.641 3.424 1.00 0.00 H new ATOM 0 HG LEU A 28 2.807 -2.917 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.646 -1.780 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.235 -1.056 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.388 -0.239 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.820 -2.773 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.668 -1.287 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.061 -2.836 1.337 1.00 0.00 H new ATOM 447 N LYS A 29 3.831 -3.028 5.793 1.00 0.00 N ATOM 448 CA LYS A 29 3.903 -4.352 6.396 1.00 0.00 C ATOM 449 C LYS A 29 2.596 -4.709 7.107 1.00 0.00 C ATOM 450 O LYS A 29 1.930 -5.676 6.743 1.00 0.00 O ATOM 451 CB LYS A 29 5.130 -4.470 7.309 1.00 0.00 C ATOM 452 CG LYS A 29 5.075 -5.794 8.068 1.00 0.00 C ATOM 453 CD LYS A 29 6.464 -6.330 8.404 1.00 0.00 C ATOM 454 CE LYS A 29 6.320 -7.757 8.938 1.00 0.00 C ATOM 455 NZ LYS A 29 7.627 -8.335 9.293 1.00 0.00 N ATOM 0 H LYS A 29 4.610 -2.415 6.032 1.00 0.00 H new ATOM 0 HA LYS A 29 4.030 -5.088 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.044 -4.416 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.155 -3.637 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.508 -5.658 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.539 -6.531 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.098 -6.320 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.945 -5.695 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.672 -7.755 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.837 -8.381 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.493 -9.302 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.236 -8.359 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.076 -7.753 10.028 1.00 0.00 H new ATOM 469 N LEU A 30 2.229 -3.934 8.123 1.00 0.00 N ATOM 470 CA LEU A 30 0.998 -4.140 8.866 1.00 0.00 C ATOM 471 C LEU A 30 -0.211 -4.240 7.926 1.00 0.00 C ATOM 472 O LEU A 30 -1.069 -5.101 8.119 1.00 0.00 O ATOM 473 CB LEU A 30 0.789 -3.087 9.965 1.00 0.00 C ATOM 474 CG LEU A 30 1.854 -2.001 10.175 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.270 -0.916 11.085 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.112 -2.555 10.850 1.00 0.00 C ATOM 0 H LEU A 30 2.782 -3.143 8.453 1.00 0.00 H new ATOM 0 HA LEU A 30 1.094 -5.097 9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.157 -2.584 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.671 -3.618 10.910 1.00 0.00 H new ATOM 0 HG LEU A 30 2.130 -1.608 9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.014 -0.136 11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.386 -0.484 10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.993 -1.355 12.043 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.839 -1.753 10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.850 -2.968 11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.544 -3.339 10.228 1.00 0.00 H new ATOM 488 N LEU A 31 -0.277 -3.376 6.908 1.00 0.00 N ATOM 489 CA LEU A 31 -1.353 -3.398 5.918 1.00 0.00 C ATOM 490 C LEU A 31 -1.440 -4.795 5.294 1.00 0.00 C ATOM 491 O LEU A 31 -2.488 -5.446 5.301 1.00 0.00 O ATOM 492 CB LEU A 31 -1.074 -2.359 4.814 1.00 0.00 C ATOM 493 CG LEU A 31 -2.314 -1.712 4.169 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.965 -1.138 2.791 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.509 -2.648 4.005 1.00 0.00 C ATOM 0 H LEU A 31 0.414 -2.643 6.749 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.296 -3.154 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.453 -1.568 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.489 -2.839 4.029 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.611 -0.929 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.853 -0.685 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.187 -0.382 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.607 -1.938 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.335 -2.107 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.228 -3.490 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.819 -3.017 4.983 1.00 0.00 H new ATOM 507 N LEU A 32 -0.305 -5.244 4.749 1.00 0.00 N ATOM 508 CA LEU A 32 -0.164 -6.530 4.086 1.00 0.00 C ATOM 509 C LEU A 32 -0.623 -7.641 5.012 1.00 0.00 C ATOM 510 O LEU A 32 -1.468 -8.460 4.659 1.00 0.00 O ATOM 511 CB LEU A 32 1.274 -6.784 3.616 1.00 0.00 C ATOM 512 CG LEU A 32 1.757 -5.784 2.561 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.273 -5.894 2.375 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.060 -5.964 1.207 1.00 0.00 C ATOM 0 H LEU A 32 0.560 -4.703 4.761 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.794 -6.515 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.942 -6.743 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.342 -7.792 3.208 1.00 0.00 H new ATOM 0 HG LEU A 32 1.498 -4.793 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.600 -5.177 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.772 -5.681 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.527 -6.903 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.443 -5.228 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.255 -6.967 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.014 -5.825 1.329 1.00 0.00 H new ATOM 526 N GLN A 33 -0.059 -7.654 6.213 1.00 0.00 N ATOM 527 CA GLN A 33 -0.332 -8.653 7.207 1.00 0.00 C ATOM 528 C GLN A 33 -1.819 -8.723 7.555 1.00 0.00 C ATOM 529 O GLN A 33 -2.390 -9.806 7.617 1.00 0.00 O ATOM 530 CB GLN A 33 0.481 -8.264 8.438 1.00 0.00 C ATOM 531 CG GLN A 33 1.970 -8.596 8.320 1.00 0.00 C ATOM 532 CD GLN A 33 2.687 -8.202 9.605 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.782 -7.034 9.950 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.208 -9.160 10.356 1.00 0.00 N ATOM 0 H GLN A 33 0.613 -6.950 6.518 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.060 -9.640 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.369 -7.194 8.614 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.072 -8.775 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.101 -9.661 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.405 -8.066 7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.128 -10.135 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.689 -8.923 11.224 1.00 0.00 H new ATOM 543 N THR A 34 -2.430 -7.568 7.810 1.00 0.00 N ATOM 544 CA THR A 34 -3.807 -7.496 8.266 1.00 0.00 C ATOM 545 C THR A 34 -4.861 -7.727 7.173 1.00 0.00 C ATOM 546 O THR A 34 -5.760 -8.534 7.392 1.00 0.00 O ATOM 547 CB THR A 34 -4.009 -6.197 9.060 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.930 -6.011 9.954 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.300 -6.244 9.884 1.00 0.00 C ATOM 0 H THR A 34 -1.980 -6.659 7.705 1.00 0.00 H new ATOM 0 HA THR A 34 -3.978 -8.342 8.932 1.00 0.00 H new ATOM 0 HB THR A 34 -4.066 -5.379 8.342 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.155 -5.665 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.414 -5.310 10.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.152 -6.379 9.218 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.253 -7.076 10.587 1.00 0.00 H new ATOM 557 N GLU A 35 -4.800 -7.040 6.022 1.00 0.00 N ATOM 558 CA GLU A 35 -5.824 -7.180 4.978 1.00 0.00 C ATOM 559 C GLU A 35 -5.285 -7.605 3.611 1.00 0.00 C ATOM 560 O GLU A 35 -6.053 -7.607 2.653 1.00 0.00 O ATOM 561 CB GLU A 35 -6.600 -5.864 4.795 1.00 0.00 C ATOM 562 CG GLU A 35 -7.302 -5.343 6.059 1.00 0.00 C ATOM 563 CD GLU A 35 -6.411 -4.500 6.956 1.00 0.00 C ATOM 564 OE1 GLU A 35 -5.239 -4.287 6.583 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.923 -4.047 8.004 1.00 0.00 O ATOM 0 H GLU A 35 -4.054 -6.384 5.792 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.472 -7.980 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.910 -5.099 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.348 -6.006 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.168 -4.750 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.677 -6.192 6.631 1.00 0.00 H new ATOM 572 N PHE A 36 -4.005 -7.952 3.478 1.00 0.00 N ATOM 573 CA PHE A 36 -3.446 -8.316 2.179 1.00 0.00 C ATOM 574 C PHE A 36 -2.532 -9.555 2.233 1.00 0.00 C ATOM 575 O PHE A 36 -1.447 -9.553 1.647 1.00 0.00 O ATOM 576 CB PHE A 36 -2.756 -7.056 1.630 1.00 0.00 C ATOM 577 CG PHE A 36 -3.449 -6.365 0.483 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.044 -6.682 -0.821 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.225 -5.215 0.716 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.287 -5.786 -1.869 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.476 -4.316 -0.335 1.00 0.00 C ATOM 582 CZ PHE A 36 -3.960 -4.576 -1.616 1.00 0.00 C ATOM 0 H PHE A 36 -3.340 -7.988 4.250 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.236 -8.633 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.648 -6.341 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.750 -7.328 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.544 -7.619 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.627 -5.023 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.958 -6.023 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.064 -3.428 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.080 -3.848 -2.405 1.00 0.00 H new ATOM 592 N PRO A 37 -2.948 -10.647 2.900 1.00 0.00 N ATOM 593 CA PRO A 37 -2.143 -11.856 2.973 1.00 0.00 C ATOM 594 C PRO A 37 -1.941 -12.470 1.584 1.00 0.00 C ATOM 595 O PRO A 37 -0.891 -13.041 1.309 1.00 0.00 O ATOM 596 CB PRO A 37 -2.891 -12.794 3.925 1.00 0.00 C ATOM 597 CG PRO A 37 -4.345 -12.337 3.807 1.00 0.00 C ATOM 598 CD PRO A 37 -4.205 -10.829 3.606 1.00 0.00 C ATOM 0 HA PRO A 37 -1.138 -11.655 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.774 -13.838 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.524 -12.705 4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.852 -12.812 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.919 -12.575 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.040 -10.431 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.198 -10.305 4.562 1.00 0.00 H new ATOM 702 N THR A 45 9.001 -9.746 -1.776 1.00 0.00 N ATOM 703 CA THR A 45 9.506 -9.502 -0.435 1.00 0.00 C ATOM 704 C THR A 45 9.021 -8.109 -0.055 1.00 0.00 C ATOM 705 O THR A 45 8.718 -7.312 -0.944 1.00 0.00 O ATOM 706 CB THR A 45 11.041 -9.546 -0.368 1.00 0.00 C ATOM 707 OG1 THR A 45 11.585 -8.529 -1.181 1.00 0.00 O ATOM 708 CG2 THR A 45 11.638 -10.897 -0.772 1.00 0.00 C ATOM 0 HA THR A 45 9.147 -10.276 0.244 1.00 0.00 H new ATOM 0 HB THR A 45 11.305 -9.389 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.548 -8.455 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.725 -10.851 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.263 -11.674 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.352 -11.129 -1.798 1.00 0.00 H new ATOM 716 N LEU A 46 8.959 -7.800 1.242 1.00 0.00 N ATOM 717 CA LEU A 46 8.547 -6.481 1.705 1.00 0.00 C ATOM 718 C LEU A 46 9.380 -5.406 1.012 1.00 0.00 C ATOM 719 O LEU A 46 8.845 -4.397 0.574 1.00 0.00 O ATOM 720 CB LEU A 46 8.737 -6.380 3.225 1.00 0.00 C ATOM 721 CG LEU A 46 8.313 -5.016 3.805 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.792 -4.826 3.763 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.810 -4.902 5.249 1.00 0.00 C ATOM 0 H LEU A 46 9.191 -8.452 1.991 1.00 0.00 H new ATOM 0 HA LEU A 46 7.495 -6.332 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.160 -7.168 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.785 -6.559 3.466 1.00 0.00 H new ATOM 0 HG LEU A 46 8.760 -4.234 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.535 -3.853 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.447 -4.880 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.311 -5.610 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.511 -3.938 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.376 -5.703 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.897 -4.983 5.267 1.00 0.00 H new ATOM 735 N ASP A 47 10.690 -5.632 0.923 1.00 0.00 N ATOM 736 CA ASP A 47 11.668 -4.731 0.355 1.00 0.00 C ATOM 737 C ASP A 47 11.367 -4.524 -1.117 1.00 0.00 C ATOM 738 O ASP A 47 11.117 -3.401 -1.526 1.00 0.00 O ATOM 739 CB ASP A 47 13.084 -5.287 0.562 1.00 0.00 C ATOM 740 CG ASP A 47 13.390 -5.525 2.037 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.896 -6.553 2.551 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.094 -4.674 2.623 1.00 0.00 O ATOM 0 H ASP A 47 11.110 -6.496 1.266 1.00 0.00 H new ATOM 0 HA ASP A 47 11.614 -3.766 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.191 -6.223 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.812 -4.590 0.148 1.00 0.00 H new ATOM 747 N GLU A 48 11.377 -5.593 -1.915 1.00 0.00 N ATOM 748 CA GLU A 48 11.115 -5.487 -3.344 1.00 0.00 C ATOM 749 C GLU A 48 9.770 -4.801 -3.592 1.00 0.00 C ATOM 750 O GLU A 48 9.659 -3.899 -4.420 1.00 0.00 O ATOM 751 CB GLU A 48 11.157 -6.884 -3.976 1.00 0.00 C ATOM 752 CG GLU A 48 12.569 -7.489 -3.909 1.00 0.00 C ATOM 753 CD GLU A 48 13.541 -6.779 -4.847 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.422 -7.015 -6.069 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.379 -6.011 -4.326 1.00 0.00 O ATOM 0 H GLU A 48 11.564 -6.542 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 48 11.885 -4.873 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.454 -7.539 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.834 -6.824 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.942 -7.427 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.523 -8.547 -4.168 1.00 0.00 H new ATOM 762 N LEU A 49 8.744 -5.230 -2.862 1.00 0.00 N ATOM 763 CA LEU A 49 7.401 -4.700 -2.978 1.00 0.00 C ATOM 764 C LEU A 49 7.360 -3.206 -2.655 1.00 0.00 C ATOM 765 O LEU A 49 6.995 -2.392 -3.500 1.00 0.00 O ATOM 766 CB LEU A 49 6.489 -5.538 -2.077 1.00 0.00 C ATOM 767 CG LEU A 49 5.064 -5.000 -1.987 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.417 -4.860 -3.368 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.229 -5.960 -1.136 1.00 0.00 C ATOM 0 H LEU A 49 8.831 -5.968 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 49 7.045 -4.775 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.460 -6.561 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.918 -5.578 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 49 5.102 -4.009 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.404 -4.474 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.003 -4.171 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.383 -5.835 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.207 -5.587 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.223 -6.946 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.661 -6.031 -0.138 1.00 0.00 H new ATOM 781 N PHE A 50 7.743 -2.829 -1.438 1.00 0.00 N ATOM 782 CA PHE A 50 7.785 -1.454 -1.002 1.00 0.00 C ATOM 783 C PHE A 50 8.674 -0.656 -1.951 1.00 0.00 C ATOM 784 O PHE A 50 8.373 0.498 -2.212 1.00 0.00 O ATOM 785 CB PHE A 50 8.317 -1.414 0.430 1.00 0.00 C ATOM 786 CG PHE A 50 8.762 -0.041 0.844 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.821 0.929 1.216 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.094 0.325 0.596 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.247 2.241 1.475 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.511 1.650 0.808 1.00 0.00 C ATOM 791 CZ PHE A 50 9.590 2.602 1.276 1.00 0.00 C ATOM 0 H PHE A 50 8.037 -3.491 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 50 6.790 -1.009 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.540 -1.761 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.154 -2.106 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.776 0.669 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.799 -0.412 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.539 2.976 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.534 1.935 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.914 3.611 1.483 1.00 0.00 H new ATOM 801 N GLU A 51 9.757 -1.236 -2.474 1.00 0.00 N ATOM 802 CA GLU A 51 10.610 -0.495 -3.400 1.00 0.00 C ATOM 803 C GLU A 51 9.883 -0.247 -4.721 1.00 0.00 C ATOM 804 O GLU A 51 9.964 0.853 -5.259 1.00 0.00 O ATOM 805 CB GLU A 51 11.957 -1.198 -3.622 1.00 0.00 C ATOM 806 CG GLU A 51 12.910 -1.029 -2.428 1.00 0.00 C ATOM 807 CD GLU A 51 13.427 0.400 -2.301 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.235 0.790 -3.171 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.008 1.074 -1.335 1.00 0.00 O ATOM 0 H GLU A 51 10.057 -2.191 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 51 10.830 0.472 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.785 -2.260 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.429 -0.798 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.393 -1.309 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.754 -1.710 -2.539 1.00 0.00 H new ATOM 816 N GLU A 52 9.160 -1.243 -5.244 1.00 0.00 N ATOM 817 CA GLU A 52 8.387 -1.066 -6.469 1.00 0.00 C ATOM 818 C GLU A 52 7.404 0.078 -6.227 1.00 0.00 C ATOM 819 O GLU A 52 7.220 0.962 -7.056 1.00 0.00 O ATOM 820 CB GLU A 52 7.640 -2.372 -6.796 1.00 0.00 C ATOM 821 CG GLU A 52 6.486 -2.166 -7.794 1.00 0.00 C ATOM 822 CD GLU A 52 5.771 -3.476 -8.115 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.341 -4.142 -7.148 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.652 -3.783 -9.321 1.00 0.00 O ATOM 0 H GLU A 52 9.097 -2.176 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 52 9.032 -0.828 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.345 -3.095 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.245 -2.800 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.771 -1.454 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.875 -1.730 -8.714 1.00 0.00 H new ATOM 831 N LEU A 53 6.765 0.018 -5.066 1.00 0.00 N ATOM 832 CA LEU A 53 5.774 0.966 -4.609 1.00 0.00 C ATOM 833 C LEU A 53 6.332 2.380 -4.398 1.00 0.00 C ATOM 834 O LEU A 53 5.727 3.344 -4.857 1.00 0.00 O ATOM 835 CB LEU A 53 5.192 0.400 -3.314 1.00 0.00 C ATOM 836 CG LEU A 53 4.055 -0.594 -3.569 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.815 -1.346 -2.263 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.775 0.124 -4.015 1.00 0.00 C ATOM 0 H LEU A 53 6.935 -0.728 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 53 5.008 1.086 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.983 -0.094 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.823 1.219 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 53 4.329 -1.279 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.009 -2.067 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.725 -1.870 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.538 -0.638 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.988 -0.610 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.459 0.820 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.968 0.673 -4.937 1.00 0.00 H new ATOM 850 N ASP A 54 7.462 2.548 -3.709 1.00 0.00 N ATOM 851 CA ASP A 54 8.035 3.859 -3.425 1.00 0.00 C ATOM 852 C ASP A 54 8.817 4.290 -4.666 1.00 0.00 C ATOM 853 O ASP A 54 10.036 4.421 -4.626 1.00 0.00 O ATOM 854 CB ASP A 54 8.907 3.798 -2.152 1.00 0.00 C ATOM 855 CG ASP A 54 9.387 5.185 -1.707 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.071 6.170 -2.411 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.081 5.264 -0.667 1.00 0.00 O ATOM 0 H ASP A 54 8.006 1.772 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 54 7.263 4.600 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.336 3.338 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.771 3.159 -2.336 1.00 0.00 H new ATOM 862 N LYS A 55 8.104 4.507 -5.775 1.00 0.00 N ATOM 863 CA LYS A 55 8.719 4.851 -7.053 1.00 0.00 C ATOM 864 C LYS A 55 9.538 6.135 -6.949 1.00 0.00 C ATOM 865 O LYS A 55 10.611 6.243 -7.534 1.00 0.00 O ATOM 866 CB LYS A 55 7.660 4.993 -8.153 1.00 0.00 C ATOM 867 CG LYS A 55 6.868 3.698 -8.369 1.00 0.00 C ATOM 868 CD LYS A 55 5.735 3.860 -9.392 1.00 0.00 C ATOM 869 CE LYS A 55 6.202 4.324 -10.779 1.00 0.00 C ATOM 870 NZ LYS A 55 7.245 3.442 -11.333 1.00 0.00 N ATOM 0 H LYS A 55 7.086 4.448 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 55 9.392 4.035 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.973 5.797 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.145 5.280 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.546 2.914 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.449 3.370 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.215 2.908 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.011 4.578 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.350 4.350 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.586 5.342 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.472 3.740 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.100 3.502 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.900 2.461 -11.344 1.00 0.00 H new ATOM 884 N ASN A 56 9.020 7.113 -6.207 1.00 0.00 N ATOM 885 CA ASN A 56 9.688 8.396 -6.042 1.00 0.00 C ATOM 886 C ASN A 56 10.910 8.273 -5.121 1.00 0.00 C ATOM 887 O ASN A 56 11.884 8.992 -5.312 1.00 0.00 O ATOM 888 CB ASN A 56 8.682 9.458 -5.587 1.00 0.00 C ATOM 889 CG ASN A 56 8.567 9.543 -4.082 1.00 0.00 C ATOM 890 OD1 ASN A 56 9.247 10.312 -3.423 1.00 0.00 O ATOM 891 ND2 ASN A 56 7.683 8.740 -3.543 1.00 0.00 N ATOM 0 H ASN A 56 8.133 7.036 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 56 10.080 8.725 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.982 10.429 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.703 9.231 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.541 8.742 -2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.136 8.113 -4.134 1.00 0.00 H new ATOM 898 N GLY A 57 10.872 7.367 -4.137 1.00 0.00 N ATOM 899 CA GLY A 57 11.977 7.130 -3.224 1.00 0.00 C ATOM 900 C GLY A 57 12.048 8.201 -2.139 1.00 0.00 C ATOM 901 O GLY A 57 12.940 9.042 -2.176 1.00 0.00 O ATOM 0 H GLY A 57 10.061 6.776 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.864 6.149 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.913 7.113 -3.782 1.00 0.00 H new ATOM 905 N ASP A 58 11.125 8.167 -1.168 1.00 0.00 N ATOM 906 CA ASP A 58 11.104 9.146 -0.072 1.00 0.00 C ATOM 907 C ASP A 58 11.203 8.496 1.304 1.00 0.00 C ATOM 908 O ASP A 58 11.486 9.188 2.277 1.00 0.00 O ATOM 909 CB ASP A 58 9.874 10.066 -0.143 1.00 0.00 C ATOM 910 CG ASP A 58 8.546 9.358 0.113 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.322 8.970 1.279 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.762 9.230 -0.850 1.00 0.00 O ATOM 0 H ASP A 58 10.381 7.470 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 58 11.996 9.757 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.992 10.868 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.840 10.533 -1.127 1.00 0.00 H new ATOM 917 N GLY A 59 10.959 7.187 1.400 1.00 0.00 N ATOM 918 CA GLY A 59 10.956 6.472 2.668 1.00 0.00 C ATOM 919 C GLY A 59 9.584 5.842 2.877 1.00 0.00 C ATOM 920 O GLY A 59 9.455 4.855 3.601 1.00 0.00 O ATOM 0 H GLY A 59 10.758 6.595 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.728 5.703 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.186 7.155 3.486 1.00 0.00 H new ATOM 924 N GLU A 60 8.553 6.400 2.233 1.00 0.00 N ATOM 925 CA GLU A 60 7.208 5.890 2.263 1.00 0.00 C ATOM 926 C GLU A 60 6.635 5.819 0.845 1.00 0.00 C ATOM 927 O GLU A 60 7.199 6.346 -0.108 1.00 0.00 O ATOM 928 CB GLU A 60 6.327 6.810 3.104 1.00 0.00 C ATOM 929 CG GLU A 60 6.902 7.283 4.449 1.00 0.00 C ATOM 930 CD GLU A 60 7.571 8.651 4.334 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.817 9.636 4.157 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.816 8.685 4.436 1.00 0.00 O ATOM 0 H GLU A 60 8.650 7.242 1.665 1.00 0.00 H new ATOM 0 HA GLU A 60 7.226 4.891 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.090 7.691 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.387 6.294 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.103 7.331 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.627 6.554 4.810 1.00 0.00 H new ATOM 939 N VAL A 61 5.477 5.181 0.750 1.00 0.00 N ATOM 940 CA VAL A 61 4.622 5.008 -0.411 1.00 0.00 C ATOM 941 C VAL A 61 3.489 6.013 -0.181 1.00 0.00 C ATOM 942 O VAL A 61 3.368 6.549 0.914 1.00 0.00 O ATOM 943 CB VAL A 61 4.074 3.561 -0.403 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.240 3.217 -1.641 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.207 2.539 -0.280 1.00 0.00 C ATOM 0 H VAL A 61 5.074 4.726 1.569 1.00 0.00 H new ATOM 0 HA VAL A 61 5.126 5.168 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 61 3.421 3.510 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.888 2.188 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.384 3.889 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.853 3.329 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.790 1.532 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.888 2.647 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.751 2.709 0.649 1.00 0.00 H new ATOM 955 N SER A 62 2.625 6.271 -1.158 1.00 0.00 N ATOM 956 CA SER A 62 1.465 7.136 -0.982 1.00 0.00 C ATOM 957 C SER A 62 0.372 6.572 -1.873 1.00 0.00 C ATOM 958 O SER A 62 0.672 5.742 -2.734 1.00 0.00 O ATOM 959 CB SER A 62 1.777 8.594 -1.323 1.00 0.00 C ATOM 960 OG SER A 62 2.119 8.696 -2.687 1.00 0.00 O ATOM 0 H SER A 62 2.711 5.884 -2.098 1.00 0.00 H new ATOM 0 HA SER A 62 1.151 7.149 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.913 9.222 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.598 8.956 -0.703 1.00 0.00 H new ATOM 0 HG SER A 62 2.317 9.631 -2.906 1.00 0.00 H new ATOM 966 N PHE A 63 -0.876 7.006 -1.681 1.00 0.00 N ATOM 967 CA PHE A 63 -1.994 6.543 -2.493 1.00 0.00 C ATOM 968 C PHE A 63 -1.631 6.651 -3.974 1.00 0.00 C ATOM 969 O PHE A 63 -1.893 5.731 -4.745 1.00 0.00 O ATOM 970 CB PHE A 63 -3.282 7.248 -2.091 1.00 0.00 C ATOM 971 CG PHE A 63 -4.511 6.817 -2.867 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.229 5.686 -2.439 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.849 7.434 -4.087 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.332 5.226 -3.180 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.935 6.952 -4.843 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.732 5.908 -4.338 1.00 0.00 C ATOM 0 H PHE A 63 -1.135 7.683 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.191 5.487 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.460 7.073 -1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.147 8.322 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.932 5.169 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.275 8.277 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.871 4.348 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.156 7.383 -5.808 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.648 5.633 -4.840 1.00 0.00 H new ATOM 986 N GLU A 64 -0.990 7.767 -4.335 1.00 0.00 N ATOM 987 CA GLU A 64 -0.499 8.074 -5.667 1.00 0.00 C ATOM 988 C GLU A 64 0.192 6.860 -6.294 1.00 0.00 C ATOM 989 O GLU A 64 -0.229 6.353 -7.329 1.00 0.00 O ATOM 990 CB GLU A 64 0.500 9.245 -5.563 1.00 0.00 C ATOM 991 CG GLU A 64 0.775 9.891 -6.928 1.00 0.00 C ATOM 992 CD GLU A 64 -0.465 10.568 -7.505 1.00 0.00 C ATOM 993 OE1 GLU A 64 -0.910 11.556 -6.884 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.951 10.075 -8.546 1.00 0.00 O ATOM 0 H GLU A 64 -0.794 8.513 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.341 8.345 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.107 9.997 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.437 8.885 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.574 10.626 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.128 9.130 -7.624 1.00 0.00 H new ATOM 1001 N GLU A 65 1.265 6.397 -5.650 1.00 0.00 N ATOM 1002 CA GLU A 65 2.060 5.289 -6.151 1.00 0.00 C ATOM 1003 C GLU A 65 1.260 4.005 -6.008 1.00 0.00 C ATOM 1004 O GLU A 65 1.233 3.170 -6.906 1.00 0.00 O ATOM 1005 CB GLU A 65 3.366 5.105 -5.371 1.00 0.00 C ATOM 1006 CG GLU A 65 4.071 6.359 -4.845 1.00 0.00 C ATOM 1007 CD GLU A 65 5.282 6.754 -5.681 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.067 7.020 -6.882 1.00 0.00 O ATOM 1009 OE2 GLU A 65 6.392 6.820 -5.106 1.00 0.00 O ATOM 0 H GLU A 65 1.602 6.783 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 65 2.303 5.511 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.158 4.457 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.067 4.572 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.363 7.187 -4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.387 6.187 -3.816 1.00 0.00 H new ATOM 1016 N PHE A 66 0.619 3.861 -4.844 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.188 2.696 -4.508 1.00 0.00 C ATOM 1018 C PHE A 66 -1.168 2.330 -5.631 1.00 0.00 C ATOM 1019 O PHE A 66 -1.461 1.147 -5.794 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.847 2.920 -3.146 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.971 1.980 -2.769 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.721 0.610 -2.586 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.274 2.482 -2.591 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.789 -0.266 -2.328 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.322 1.618 -2.235 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.082 0.239 -2.116 1.00 0.00 C ATOM 0 H PHE A 66 0.650 4.562 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 66 0.451 1.818 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.075 2.851 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.233 3.939 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.711 0.231 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.468 3.535 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.615 -1.331 -2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.311 2.013 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.890 -0.431 -1.862 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.653 3.289 -6.434 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.523 2.952 -7.562 1.00 0.00 C ATOM 1038 C GLN A 67 -1.902 1.895 -8.484 1.00 0.00 C ATOM 1039 O GLN A 67 -2.614 1.074 -9.057 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.062 4.181 -8.319 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.695 5.237 -7.415 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.667 4.572 -6.453 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.806 4.282 -6.792 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.228 4.303 -5.237 1.00 0.00 N ATOM 0 H GLN A 67 -1.460 4.285 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.408 2.490 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.245 4.638 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.802 3.851 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.921 5.764 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.216 5.981 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.275 4.552 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.842 3.846 -4.563 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.574 1.873 -8.608 1.00 0.00 N ATOM 1054 CA VAL A 68 0.110 0.856 -9.394 1.00 0.00 C ATOM 1055 C VAL A 68 -0.214 -0.515 -8.792 1.00 0.00 C ATOM 1056 O VAL A 68 -0.444 -1.481 -9.514 1.00 0.00 O ATOM 1057 CB VAL A 68 1.622 1.139 -9.437 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.381 0.030 -10.180 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.891 2.476 -10.143 1.00 0.00 C ATOM 0 H VAL A 68 0.048 2.553 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.234 0.870 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 68 1.974 1.179 -8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.446 0.262 -10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.223 -0.922 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.014 -0.039 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.964 2.665 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.507 2.433 -11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.393 3.280 -9.601 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.266 -0.621 -7.464 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.593 -1.881 -6.822 1.00 0.00 C ATOM 1071 C LEU A 69 -2.095 -2.144 -6.939 1.00 0.00 C ATOM 1072 O LEU A 69 -2.497 -3.278 -7.191 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.077 -1.925 -5.393 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.210 -3.358 -4.858 1.00 0.00 C ATOM 1075 CD1 LEU A 69 1.152 -3.892 -4.440 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.218 -3.400 -3.716 1.00 0.00 C ATOM 0 H LEU A 69 -0.086 0.150 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.083 -2.696 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.965 -1.605 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.643 -1.235 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.585 -4.007 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.044 -4.909 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.822 -3.893 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.567 -3.257 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.304 -4.421 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.882 -2.748 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.190 -3.061 -4.076 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.927 -1.103 -6.790 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.370 -1.228 -7.018 1.00 0.00 C ATOM 1090 C VAL A 70 -4.577 -1.858 -8.400 1.00 0.00 C ATOM 1091 O VAL A 70 -5.487 -2.656 -8.593 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.094 0.125 -6.901 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.579 -0.006 -7.264 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -4.971 0.694 -5.482 1.00 0.00 C ATOM 0 H VAL A 70 -2.625 -0.169 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.805 -1.864 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.615 0.806 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.063 0.966 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.673 -0.362 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.057 -0.715 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.491 1.650 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.416 -0.002 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.919 0.839 -5.238 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.725 -1.522 -9.370 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.763 -2.146 -10.671 1.00 0.00 C ATOM 1106 C LYS A 71 -3.191 -3.572 -10.589 1.00 0.00 C ATOM 1107 O LYS A 71 -3.787 -4.496 -11.141 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.015 -1.263 -11.683 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.025 -1.811 -13.118 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.431 -2.092 -13.661 1.00 0.00 C ATOM 1111 CE LYS A 71 -5.303 -0.831 -13.706 1.00 0.00 C ATOM 1112 NZ LYS A 71 -6.603 -1.105 -14.342 1.00 0.00 N ATOM 0 H LYS A 71 -2.998 -0.814 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.793 -2.239 -11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.461 -0.269 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.982 -1.149 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.528 -1.096 -13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.442 -2.732 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.353 -2.513 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.915 -2.843 -13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.462 -0.459 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.784 -0.046 -14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.172 -0.234 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.450 -1.437 -15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.106 -1.837 -13.801 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.050 -3.795 -9.918 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.408 -5.083 -9.884 1.00 0.00 C ATOM 1128 C LYS A 72 -2.206 -6.169 -9.172 1.00 0.00 C ATOM 1129 O LYS A 72 -1.985 -7.343 -9.449 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.020 -4.956 -9.284 1.00 0.00 C ATOM 1131 CG LYS A 72 0.952 -4.129 -10.136 1.00 0.00 C ATOM 1132 CD LYS A 72 1.849 -5.063 -10.959 1.00 0.00 C ATOM 1133 CE LYS A 72 2.713 -4.289 -11.963 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.586 -3.303 -11.303 1.00 0.00 N ATOM 0 H LYS A 72 -1.560 -3.074 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.340 -5.412 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.102 -4.500 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.396 -5.953 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.395 -3.467 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.564 -3.495 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.493 -5.632 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.230 -5.784 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.324 -4.991 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.067 -3.779 -12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.187 -2.840 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.002 -2.587 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.186 -3.784 -10.603 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.144 -5.845 -8.283 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.966 -6.917 -7.714 1.00 0.00 C ATOM 1150 C ILE A 73 -4.727 -7.608 -8.860 1.00 0.00 C ATOM 1151 O ILE A 73 -5.022 -8.797 -8.783 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.924 -6.400 -6.636 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.590 -5.098 -7.084 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.184 -6.186 -5.311 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.992 -4.943 -6.516 1.00 0.00 C ATOM 0 H ILE A 73 -3.349 -4.902 -7.953 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.317 -7.637 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.698 -7.152 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.978 -4.252 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.636 -5.072 -8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.883 -5.819 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.755 -7.131 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.387 -5.456 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.423 -4.004 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.614 -5.773 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.945 -4.941 -5.427 1.00 0.00 H new ATOM 1167 N SER A 74 -5.005 -6.866 -9.939 1.00 0.00 N ATOM 1168 CA SER A 74 -5.644 -7.344 -11.152 1.00 0.00 C ATOM 1169 C SER A 74 -4.632 -7.292 -12.303 1.00 0.00 C ATOM 1170 O SER A 74 -5.013 -7.083 -13.451 1.00 0.00 O ATOM 1171 CB SER A 74 -6.867 -6.468 -11.444 1.00 0.00 C ATOM 1172 OG SER A 74 -7.697 -6.403 -10.299 1.00 0.00 O ATOM 0 H SER A 74 -4.777 -5.873 -9.983 1.00 0.00 H new ATOM 0 HA SER A 74 -5.977 -8.375 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.548 -5.466 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.425 -6.877 -12.286 1.00 0.00 H new ATOM 0 HG SER A 74 -8.476 -5.840 -10.491 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.342 -7.476 -11.998 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.245 -7.458 -12.965 1.00 0.00 C ATOM 1180 C GLN A 75 -2.600 -8.218 -14.249 1.00 0.00 C ATOM 1181 O GLN A 75 -1.722 -8.524 -15.055 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.928 -7.966 -12.334 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.848 -9.482 -12.077 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.130 -10.128 -11.547 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.768 -10.912 -12.234 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.550 -9.808 -10.334 1.00 0.00 N ATOM 0 H GLN A 75 -3.026 -7.646 -11.043 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.084 -6.419 -13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.102 -7.683 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.778 -7.448 -11.387 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.570 -9.977 -13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.045 -9.670 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.014 -9.153 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.410 -10.216 -9.968 1.00 0.00 H new