USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 45 ASN : amide:sc= -1.14 K(o=-2.9,f=-3.7!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -1.71 USER MOD Set 2.1: A 20 TYR OH : rot -19:sc= 0.0748 USER MOD Set 2.2: A 21 MET CE :methyl -114:sc= -2.11 (180deg=-3.68!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.334 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 33 MET CE :methyl 150:sc= -4.7! (180deg=-5.52!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 2:sc= 0.464 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0973 (180deg=-0.428) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 55 CYS SG : rot -120:sc= -1.66 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 111:sc= -0.806 USER MOD Single : A 70 HIS : no HD1:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -1.94 (180deg=-2.22) USER MOD Single : A 73 ASN : amide:sc= -1.08! C(o=-1.1!,f=-1.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= -1.51! (180deg=-3.47!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.176 K(o=-0.18,f=0.39) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0397 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.478 3.231 -14.704 1.00 0.00 N ATOM 84 CA ALA A 9 7.609 4.401 -14.712 1.00 0.00 C ATOM 85 C ALA A 9 6.143 3.997 -14.594 1.00 0.00 C ATOM 86 O ALA A 9 5.450 4.407 -13.664 1.00 0.00 O ATOM 87 CB ALA A 9 7.834 5.216 -15.977 1.00 0.00 C ATOM 0 HA ALA A 9 7.860 5.016 -13.847 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.179 6.087 -15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.873 5.544 -16.019 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.612 4.602 -16.850 1.00 0.00 H new ATOM 93 N ALA A 10 5.678 3.191 -15.543 1.00 0.00 N ATOM 94 CA ALA A 10 4.295 2.731 -15.544 1.00 0.00 C ATOM 95 C ALA A 10 4.128 1.491 -14.671 1.00 0.00 C ATOM 96 O ALA A 10 3.271 0.648 -14.932 1.00 0.00 O ATOM 97 CB ALA A 10 3.836 2.443 -16.966 1.00 0.00 C ATOM 0 H ALA A 10 6.239 2.843 -16.321 1.00 0.00 H new ATOM 0 HA ALA A 10 3.674 3.524 -15.127 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.801 2.100 -16.952 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.909 3.352 -17.563 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.468 1.670 -17.403 1.00 0.00 H new ATOM 103 N SER A 11 4.955 1.387 -13.635 1.00 0.00 N ATOM 104 CA SER A 11 4.901 0.248 -12.726 1.00 0.00 C ATOM 105 C SER A 11 4.496 0.691 -11.324 1.00 0.00 C ATOM 106 O SER A 11 4.454 1.885 -11.024 1.00 0.00 O ATOM 107 CB SER A 11 6.258 -0.457 -12.678 1.00 0.00 C ATOM 108 OG SER A 11 6.596 -0.999 -13.943 1.00 0.00 O ATOM 0 H SER A 11 5.670 2.077 -13.405 1.00 0.00 H new ATOM 0 HA SER A 11 4.150 -0.448 -13.099 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.027 0.249 -12.364 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.232 -1.252 -11.933 1.00 0.00 H new ATOM 0 HG SER A 11 7.468 -1.443 -13.886 1.00 0.00 H new ATOM 114 N LEU A 12 4.197 -0.280 -10.468 1.00 0.00 N ATOM 115 CA LEU A 12 3.794 0.008 -9.095 1.00 0.00 C ATOM 116 C LEU A 12 4.518 -0.906 -8.112 1.00 0.00 C ATOM 117 O LEU A 12 4.864 -2.040 -8.443 1.00 0.00 O ATOM 118 CB LEU A 12 2.281 -0.156 -8.942 1.00 0.00 C ATOM 119 CG LEU A 12 1.415 0.724 -9.844 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.070 0.063 -10.102 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.225 2.100 -9.224 1.00 0.00 C ATOM 0 H LEU A 12 4.226 -1.273 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 12 4.066 1.040 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.028 -1.199 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.017 0.050 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 12 1.926 0.846 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.533 0.704 -10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.225 -0.899 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.448 -0.090 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.606 2.712 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.736 1.998 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.196 2.577 -9.092 1.00 0.00 H new ATOM 133 N TRP A 13 4.743 -0.405 -6.903 1.00 0.00 N ATOM 134 CA TRP A 13 5.424 -1.178 -5.870 1.00 0.00 C ATOM 135 C TRP A 13 4.424 -1.959 -5.026 1.00 0.00 C ATOM 136 O TRP A 13 3.373 -1.439 -4.652 1.00 0.00 O ATOM 137 CB TRP A 13 6.253 -0.254 -4.976 1.00 0.00 C ATOM 138 CG TRP A 13 6.597 -0.862 -3.651 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.787 -1.431 -3.294 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.743 -0.964 -2.506 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.723 -1.880 -1.997 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.480 -1.605 -1.491 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.428 -0.575 -2.240 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.944 -1.865 -0.233 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.897 -0.833 -0.990 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.654 -1.472 0.000 1.00 0.00 C ATOM 0 H TRP A 13 4.464 0.532 -6.614 1.00 0.00 H new ATOM 0 HA TRP A 13 6.088 -1.888 -6.362 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.174 0.012 -5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.701 0.671 -4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.651 -1.515 -3.937 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.479 -2.343 -1.492 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.837 -0.082 -2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.525 -2.359 0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.881 -0.537 -0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.211 -1.658 0.967 1.00 0.00 H new ATOM 157 N MET A 14 4.757 -3.211 -4.728 1.00 0.00 N ATOM 158 CA MET A 14 3.887 -4.063 -3.925 1.00 0.00 C ATOM 159 C MET A 14 4.687 -4.810 -2.863 1.00 0.00 C ATOM 160 O MET A 14 5.333 -5.817 -3.153 1.00 0.00 O ATOM 161 CB MET A 14 3.149 -5.060 -4.820 1.00 0.00 C ATOM 162 CG MET A 14 1.908 -5.655 -4.172 1.00 0.00 C ATOM 163 SD MET A 14 0.816 -6.451 -5.365 1.00 0.00 S ATOM 164 CE MET A 14 -0.049 -7.612 -4.310 1.00 0.00 C ATOM 0 H MET A 14 5.623 -3.658 -5.030 1.00 0.00 H new ATOM 0 HA MET A 14 3.158 -3.427 -3.423 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.862 -4.562 -5.746 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.830 -5.867 -5.090 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.210 -6.383 -3.419 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.361 -4.868 -3.653 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.763 -8.182 -4.905 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.669 -8.294 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.580 -7.068 -3.529 1.00 0.00 H new ATOM 174 N GLY A 15 4.640 -4.310 -1.632 1.00 0.00 N ATOM 175 CA GLY A 15 5.366 -4.943 -0.546 1.00 0.00 C ATOM 176 C GLY A 15 4.496 -5.891 0.257 1.00 0.00 C ATOM 177 O GLY A 15 3.513 -6.427 -0.255 1.00 0.00 O ATOM 0 H GLY A 15 4.112 -3.478 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.216 -5.491 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.768 -4.175 0.115 1.00 0.00 H new ATOM 181 N ASP A 16 4.860 -6.099 1.518 1.00 0.00 N ATOM 182 CA ASP A 16 4.106 -6.989 2.393 1.00 0.00 C ATOM 183 C ASP A 16 3.696 -8.259 1.654 1.00 0.00 C ATOM 184 O ASP A 16 2.523 -8.636 1.649 1.00 0.00 O ATOM 185 CB ASP A 16 2.866 -6.276 2.935 1.00 0.00 C ATOM 186 CG ASP A 16 2.314 -6.942 4.181 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.916 -6.771 5.262 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.279 -7.632 4.075 1.00 0.00 O ATOM 0 H ASP A 16 5.672 -5.664 1.956 1.00 0.00 H new ATOM 0 HA ASP A 16 4.749 -7.268 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.116 -5.239 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.095 -6.257 2.165 1.00 0.00 H new ATOM 193 N LEU A 17 4.668 -8.915 1.031 1.00 0.00 N ATOM 194 CA LEU A 17 4.409 -10.143 0.287 1.00 0.00 C ATOM 195 C LEU A 17 4.938 -11.358 1.041 1.00 0.00 C ATOM 196 O LEU A 17 5.822 -11.238 1.889 1.00 0.00 O ATOM 197 CB LEU A 17 5.052 -10.068 -1.099 1.00 0.00 C ATOM 198 CG LEU A 17 4.659 -8.865 -1.957 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.418 -8.880 -3.275 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.158 -8.852 -2.203 1.00 0.00 C ATOM 0 H LEU A 17 5.644 -8.617 1.026 1.00 0.00 H new ATOM 0 HA LEU A 17 3.330 -10.250 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.135 -10.062 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.798 -10.977 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 17 4.925 -7.956 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.126 -8.017 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.489 -8.839 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.183 -9.795 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.897 -7.989 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.866 -9.766 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.634 -8.792 -1.249 1.00 0.00 H new ATOM 212 N GLU A 18 4.393 -12.528 0.725 1.00 0.00 N ATOM 213 CA GLU A 18 4.812 -13.766 1.372 1.00 0.00 C ATOM 214 C GLU A 18 5.918 -14.450 0.573 1.00 0.00 C ATOM 215 O GLU A 18 6.071 -14.239 -0.630 1.00 0.00 O ATOM 216 CB GLU A 18 3.621 -14.714 1.530 1.00 0.00 C ATOM 217 CG GLU A 18 2.849 -14.510 2.823 1.00 0.00 C ATOM 218 CD GLU A 18 3.683 -14.812 4.054 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.493 -13.948 4.448 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.523 -15.912 4.622 1.00 0.00 O ATOM 0 H GLU A 18 3.660 -12.645 0.025 1.00 0.00 H new ATOM 0 HA GLU A 18 5.201 -13.516 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.944 -14.577 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.978 -15.743 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.495 -13.480 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.967 -15.150 2.820 1.00 0.00 H new ATOM 227 N PRO A 19 6.708 -15.290 1.258 1.00 0.00 N ATOM 228 CA PRO A 19 7.814 -16.023 0.634 1.00 0.00 C ATOM 229 C PRO A 19 7.325 -17.106 -0.322 1.00 0.00 C ATOM 230 O PRO A 19 8.092 -17.625 -1.133 1.00 0.00 O ATOM 231 CB PRO A 19 8.542 -16.650 1.825 1.00 0.00 C ATOM 232 CG PRO A 19 7.502 -16.764 2.886 1.00 0.00 C ATOM 233 CD PRO A 19 6.583 -15.590 2.694 1.00 0.00 C ATOM 0 HA PRO A 19 8.444 -15.372 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.954 -17.626 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.375 -16.028 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.957 -17.704 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.953 -16.748 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.556 -15.835 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.881 -14.741 3.309 1.00 0.00 H new ATOM 241 N TYR A 20 6.044 -17.443 -0.222 1.00 0.00 N ATOM 242 CA TYR A 20 5.453 -18.466 -1.076 1.00 0.00 C ATOM 243 C TYR A 20 4.831 -17.843 -2.322 1.00 0.00 C ATOM 244 O TYR A 20 4.538 -18.536 -3.296 1.00 0.00 O ATOM 245 CB TYR A 20 4.395 -19.256 -0.304 1.00 0.00 C ATOM 246 CG TYR A 20 3.077 -18.526 -0.165 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.234 -18.359 -1.256 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.676 -18.006 1.059 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.030 -17.693 -1.133 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.473 -17.339 1.192 1.00 0.00 C ATOM 251 CZ TYR A 20 0.654 -17.185 0.093 1.00 0.00 C ATOM 252 OH TYR A 20 -0.545 -16.522 0.220 1.00 0.00 O ATOM 0 H TYR A 20 5.395 -17.022 0.443 1.00 0.00 H new ATOM 0 HA TYR A 20 6.246 -19.145 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.223 -20.207 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.779 -19.488 0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.525 -18.757 -2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.315 -18.125 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.387 -17.571 -1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.176 -16.941 2.151 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.854 -16.233 -0.664 1.00 0.00 H new ATOM 262 N MET A 21 4.633 -16.529 -2.283 1.00 0.00 N ATOM 263 CA MET A 21 4.048 -15.811 -3.409 1.00 0.00 C ATOM 264 C MET A 21 5.051 -15.679 -4.550 1.00 0.00 C ATOM 265 O MET A 21 6.200 -15.290 -4.338 1.00 0.00 O ATOM 266 CB MET A 21 3.576 -14.424 -2.967 1.00 0.00 C ATOM 267 CG MET A 21 2.287 -14.449 -2.162 1.00 0.00 C ATOM 268 SD MET A 21 1.621 -12.800 -1.865 1.00 0.00 S ATOM 269 CE MET A 21 0.330 -13.164 -0.678 1.00 0.00 C ATOM 0 H MET A 21 4.869 -15.940 -1.484 1.00 0.00 H new ATOM 0 HA MET A 21 3.191 -16.382 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.359 -13.956 -2.370 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.432 -13.800 -3.849 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.545 -15.047 -2.691 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.470 -14.940 -1.206 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.643 -12.953 -1.122 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.380 -14.216 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.466 -12.545 0.209 1.00 0.00 H new ATOM 279 N ASP A 22 4.610 -16.006 -5.760 1.00 0.00 N ATOM 280 CA ASP A 22 5.469 -15.924 -6.935 1.00 0.00 C ATOM 281 C ASP A 22 4.792 -15.132 -8.049 1.00 0.00 C ATOM 282 O ASP A 22 3.593 -14.864 -7.991 1.00 0.00 O ATOM 283 CB ASP A 22 5.824 -17.326 -7.433 1.00 0.00 C ATOM 284 CG ASP A 22 5.975 -18.322 -6.300 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.029 -18.304 -5.630 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.038 -19.119 -6.082 1.00 0.00 O ATOM 0 H ASP A 22 3.662 -16.330 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 22 6.384 -15.406 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.049 -17.673 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.753 -17.282 -8.001 1.00 0.00 H new ATOM 291 N GLU A 23 5.570 -14.760 -9.061 1.00 0.00 N ATOM 292 CA GLU A 23 5.044 -13.996 -10.187 1.00 0.00 C ATOM 293 C GLU A 23 3.631 -14.451 -10.540 1.00 0.00 C ATOM 294 O GLU A 23 2.766 -13.634 -10.854 1.00 0.00 O ATOM 295 CB GLU A 23 5.959 -14.146 -11.405 1.00 0.00 C ATOM 296 CG GLU A 23 7.214 -13.292 -11.332 1.00 0.00 C ATOM 297 CD GLU A 23 8.348 -13.983 -10.599 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.138 -15.116 -10.117 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.444 -13.392 -10.509 1.00 0.00 O ATOM 0 H GLU A 23 6.565 -14.975 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 23 5.007 -12.946 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.247 -15.192 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.401 -13.881 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.538 -13.042 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.981 -12.353 -10.830 1.00 0.00 H new ATOM 306 N ASN A 24 3.405 -15.759 -10.486 1.00 0.00 N ATOM 307 CA ASN A 24 2.098 -16.323 -10.800 1.00 0.00 C ATOM 308 C ASN A 24 1.044 -15.840 -9.808 1.00 0.00 C ATOM 309 O ASN A 24 -0.017 -15.354 -10.201 1.00 0.00 O ATOM 310 CB ASN A 24 2.162 -17.852 -10.789 1.00 0.00 C ATOM 311 CG ASN A 24 2.703 -18.417 -12.089 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.038 -18.367 -13.124 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.914 -18.959 -12.040 1.00 0.00 N ATOM 0 H ASN A 24 4.111 -16.449 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 24 1.815 -15.985 -11.797 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.792 -18.181 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.165 -18.254 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.330 -19.356 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.429 -18.978 -11.160 1.00 0.00 H new ATOM 320 N PHE A 25 1.344 -15.978 -8.521 1.00 0.00 N ATOM 321 CA PHE A 25 0.423 -15.556 -7.472 1.00 0.00 C ATOM 322 C PHE A 25 0.090 -14.073 -7.604 1.00 0.00 C ATOM 323 O PHE A 25 -1.057 -13.704 -7.856 1.00 0.00 O ATOM 324 CB PHE A 25 1.025 -15.835 -6.093 1.00 0.00 C ATOM 325 CG PHE A 25 0.077 -15.564 -4.960 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.157 -14.268 -4.529 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.578 -16.607 -4.324 1.00 0.00 C ATOM 328 CE1 PHE A 25 -1.029 -14.016 -3.487 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.451 -16.360 -3.281 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.676 -15.064 -2.861 1.00 0.00 C ATOM 0 H PHE A 25 2.218 -16.379 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.499 -16.128 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.344 -16.876 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.917 -15.223 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.348 -13.445 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.405 -17.623 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.205 -13.001 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.957 -17.181 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.356 -14.870 -2.045 1.00 0.00 H new ATOM 340 N ILE A 26 1.101 -13.228 -7.433 1.00 0.00 N ATOM 341 CA ILE A 26 0.917 -11.786 -7.533 1.00 0.00 C ATOM 342 C ILE A 26 0.030 -11.427 -8.721 1.00 0.00 C ATOM 343 O ILE A 26 -0.902 -10.632 -8.595 1.00 0.00 O ATOM 344 CB ILE A 26 2.265 -11.055 -7.674 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.152 -11.337 -6.460 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.041 -9.559 -7.837 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.564 -10.847 -5.155 1.00 0.00 C ATOM 0 H ILE A 26 2.057 -13.518 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 26 0.434 -11.464 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 26 2.772 -11.426 -8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.327 -12.411 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.123 -10.865 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.003 -9.056 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.443 -9.376 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.517 -9.172 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.246 -11.081 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.414 -9.768 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.607 -11.338 -4.980 1.00 0.00 H new ATOM 359 N SER A 27 0.325 -12.020 -9.873 1.00 0.00 N ATOM 360 CA SER A 27 -0.445 -11.761 -11.085 1.00 0.00 C ATOM 361 C SER A 27 -1.908 -12.148 -10.892 1.00 0.00 C ATOM 362 O SER A 27 -2.812 -11.455 -11.358 1.00 0.00 O ATOM 363 CB SER A 27 0.148 -12.532 -12.265 1.00 0.00 C ATOM 364 OG SER A 27 -0.597 -12.305 -13.449 1.00 0.00 O ATOM 0 H SER A 27 1.091 -12.683 -9.993 1.00 0.00 H new ATOM 0 HA SER A 27 -0.395 -10.693 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.183 -12.227 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.160 -13.598 -12.038 1.00 0.00 H new ATOM 0 HG SER A 27 -0.197 -12.808 -14.189 1.00 0.00 H new ATOM 370 N ARG A 28 -2.132 -13.262 -10.202 1.00 0.00 N ATOM 371 CA ARG A 28 -3.485 -13.744 -9.949 1.00 0.00 C ATOM 372 C ARG A 28 -4.272 -12.738 -9.114 1.00 0.00 C ATOM 373 O ARG A 28 -5.457 -12.508 -9.356 1.00 0.00 O ATOM 374 CB ARG A 28 -3.442 -15.095 -9.232 1.00 0.00 C ATOM 375 CG ARG A 28 -3.362 -16.283 -10.177 1.00 0.00 C ATOM 376 CD ARG A 28 -2.638 -17.456 -9.537 1.00 0.00 C ATOM 377 NE ARG A 28 -3.510 -18.220 -8.650 1.00 0.00 N ATOM 378 CZ ARG A 28 -3.071 -19.150 -7.809 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.776 -19.429 -7.741 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.927 -19.803 -7.033 1.00 0.00 N ATOM 0 H ARG A 28 -1.395 -13.847 -9.809 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.987 -13.866 -10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.582 -15.115 -8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.331 -15.195 -8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.368 -16.588 -10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.844 -15.989 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.250 -18.112 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.780 -17.089 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.512 -18.029 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.115 -18.929 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.441 -20.143 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.924 -19.591 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.588 -20.517 -6.388 1.00 0.00 H new ATOM 394 N ALA A 29 -3.606 -12.143 -8.130 1.00 0.00 N ATOM 395 CA ALA A 29 -4.243 -11.162 -7.260 1.00 0.00 C ATOM 396 C ALA A 29 -4.884 -10.042 -8.073 1.00 0.00 C ATOM 397 O ALA A 29 -6.060 -9.725 -7.893 1.00 0.00 O ATOM 398 CB ALA A 29 -3.231 -10.591 -6.278 1.00 0.00 C ATOM 0 H ALA A 29 -2.625 -12.323 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.031 -11.666 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.721 -9.860 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.823 -11.396 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.423 -10.107 -6.828 1.00 0.00 H new ATOM 404 N PHE A 30 -4.102 -9.444 -8.967 1.00 0.00 N ATOM 405 CA PHE A 30 -4.593 -8.358 -9.806 1.00 0.00 C ATOM 406 C PHE A 30 -5.732 -8.835 -10.703 1.00 0.00 C ATOM 407 O PHE A 30 -6.802 -8.228 -10.742 1.00 0.00 O ATOM 408 CB PHE A 30 -3.458 -7.793 -10.662 1.00 0.00 C ATOM 409 CG PHE A 30 -2.545 -6.866 -9.911 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.470 -7.363 -9.193 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.763 -5.498 -9.924 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.627 -6.513 -8.501 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.924 -4.643 -9.234 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.856 -5.151 -8.521 1.00 0.00 C ATOM 0 H PHE A 30 -3.126 -9.694 -9.128 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.973 -7.572 -9.153 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.872 -8.619 -11.066 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.885 -7.260 -11.512 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.288 -8.427 -9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.597 -5.095 -10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.209 -6.913 -7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.104 -3.578 -9.253 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.201 -4.484 -7.980 1.00 0.00 H new ATOM 424 N ALA A 31 -5.493 -9.927 -11.422 1.00 0.00 N ATOM 425 CA ALA A 31 -6.498 -10.487 -12.317 1.00 0.00 C ATOM 426 C ALA A 31 -7.818 -10.713 -11.588 1.00 0.00 C ATOM 427 O ALA A 31 -8.880 -10.312 -12.066 1.00 0.00 O ATOM 428 CB ALA A 31 -5.998 -11.791 -12.922 1.00 0.00 C ATOM 0 H ALA A 31 -4.612 -10.441 -11.402 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.674 -9.770 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.759 -12.198 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.084 -11.604 -13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.793 -12.506 -12.126 1.00 0.00 H new ATOM 434 N THR A 32 -7.746 -11.357 -10.427 1.00 0.00 N ATOM 435 CA THR A 32 -8.935 -11.637 -9.632 1.00 0.00 C ATOM 436 C THR A 32 -9.677 -10.352 -9.281 1.00 0.00 C ATOM 437 O THR A 32 -10.902 -10.287 -9.370 1.00 0.00 O ATOM 438 CB THR A 32 -8.580 -12.383 -8.333 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.904 -13.607 -8.640 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.831 -12.679 -7.519 1.00 0.00 C ATOM 0 H THR A 32 -6.876 -11.695 -10.016 1.00 0.00 H new ATOM 0 HA THR A 32 -9.580 -12.271 -10.241 1.00 0.00 H new ATOM 0 HB THR A 32 -7.924 -11.744 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.992 -13.411 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.555 -13.206 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.327 -11.743 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.508 -13.300 -8.106 1.00 0.00 H new ATOM 448 N MET A 33 -8.925 -9.331 -8.881 1.00 0.00 N ATOM 449 CA MET A 33 -9.513 -8.047 -8.517 1.00 0.00 C ATOM 450 C MET A 33 -10.127 -7.366 -9.736 1.00 0.00 C ATOM 451 O MET A 33 -10.784 -6.332 -9.616 1.00 0.00 O ATOM 452 CB MET A 33 -8.455 -7.137 -7.889 1.00 0.00 C ATOM 453 CG MET A 33 -8.067 -7.542 -6.476 1.00 0.00 C ATOM 454 SD MET A 33 -9.471 -7.547 -5.345 1.00 0.00 S ATOM 455 CE MET A 33 -9.270 -5.955 -4.550 1.00 0.00 C ATOM 0 H MET A 33 -7.909 -9.368 -8.801 1.00 0.00 H new ATOM 0 HA MET A 33 -10.303 -8.230 -7.788 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.564 -7.142 -8.517 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.830 -6.114 -7.875 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.619 -8.535 -6.497 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.306 -6.857 -6.102 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.246 -5.568 -4.258 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.644 -6.067 -3.665 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.797 -5.259 -5.243 1.00 0.00 H new ATOM 465 N GLY A 34 -9.908 -7.952 -10.909 1.00 0.00 N ATOM 466 CA GLY A 34 -10.447 -7.387 -12.133 1.00 0.00 C ATOM 467 C GLY A 34 -9.485 -6.424 -12.799 1.00 0.00 C ATOM 468 O GLY A 34 -9.896 -5.389 -13.323 1.00 0.00 O ATOM 0 H GLY A 34 -9.367 -8.808 -11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.688 -8.193 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.380 -6.869 -11.910 1.00 0.00 H new ATOM 472 N GLU A 35 -8.200 -6.764 -12.779 1.00 0.00 N ATOM 473 CA GLU A 35 -7.177 -5.920 -13.384 1.00 0.00 C ATOM 474 C GLU A 35 -6.224 -6.748 -14.240 1.00 0.00 C ATOM 475 O GLU A 35 -5.879 -7.878 -13.891 1.00 0.00 O ATOM 476 CB GLU A 35 -6.391 -5.176 -12.301 1.00 0.00 C ATOM 477 CG GLU A 35 -7.097 -3.935 -11.781 1.00 0.00 C ATOM 478 CD GLU A 35 -7.442 -2.955 -12.885 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.522 -2.542 -13.622 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.633 -2.601 -13.012 1.00 0.00 O ATOM 0 H GLU A 35 -7.843 -7.618 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.676 -5.193 -14.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.205 -5.854 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.419 -4.890 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.010 -4.231 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.461 -3.440 -11.047 1.00 0.00 H new ATOM 487 N THR A 36 -5.802 -6.180 -15.365 1.00 0.00 N ATOM 488 CA THR A 36 -4.891 -6.865 -16.273 1.00 0.00 C ATOM 489 C THR A 36 -3.452 -6.413 -16.053 1.00 0.00 C ATOM 490 O THR A 36 -3.055 -5.334 -16.494 1.00 0.00 O ATOM 491 CB THR A 36 -5.274 -6.620 -17.745 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.655 -6.937 -17.951 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.411 -7.458 -18.676 1.00 0.00 C ATOM 0 H THR A 36 -6.077 -5.246 -15.669 1.00 0.00 H new ATOM 0 HA THR A 36 -4.972 -7.930 -16.057 1.00 0.00 H new ATOM 0 HB THR A 36 -5.106 -5.567 -17.971 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.891 -6.777 -18.889 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.700 -7.268 -19.710 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.363 -7.193 -18.538 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.551 -8.515 -18.449 1.00 0.00 H new ATOM 501 N VAL A 37 -2.673 -7.245 -15.368 1.00 0.00 N ATOM 502 CA VAL A 37 -1.276 -6.931 -15.091 1.00 0.00 C ATOM 503 C VAL A 37 -0.394 -7.238 -16.296 1.00 0.00 C ATOM 504 O VAL A 37 -0.618 -8.217 -17.008 1.00 0.00 O ATOM 505 CB VAL A 37 -0.755 -7.718 -13.874 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.386 -9.138 -14.274 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.434 -7.005 -13.248 1.00 0.00 C ATOM 0 H VAL A 37 -2.986 -8.141 -14.995 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.229 -5.864 -14.872 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.550 -7.771 -13.130 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.020 -9.678 -13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.266 -9.644 -14.672 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.393 -9.111 -15.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.789 -7.575 -12.390 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.235 -6.919 -13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.131 -6.010 -12.923 1.00 0.00 H new ATOM 517 N MET A 38 0.609 -6.395 -16.518 1.00 0.00 N ATOM 518 CA MET A 38 1.526 -6.578 -17.637 1.00 0.00 C ATOM 519 C MET A 38 2.641 -7.554 -17.272 1.00 0.00 C ATOM 520 O MET A 38 2.878 -8.532 -17.980 1.00 0.00 O ATOM 521 CB MET A 38 2.126 -5.235 -18.057 1.00 0.00 C ATOM 522 CG MET A 38 1.125 -4.305 -18.724 1.00 0.00 C ATOM 523 SD MET A 38 0.450 -4.990 -20.249 1.00 0.00 S ATOM 524 CE MET A 38 -1.304 -4.749 -19.980 1.00 0.00 C ATOM 0 H MET A 38 0.807 -5.579 -15.939 1.00 0.00 H new ATOM 0 HA MET A 38 0.962 -6.993 -18.472 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.540 -4.740 -17.178 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.955 -5.415 -18.742 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.309 -4.098 -18.031 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.608 -3.352 -18.941 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.859 -5.124 -20.840 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.613 -5.290 -19.085 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.510 -3.686 -19.851 1.00 0.00 H new ATOM 534 N SER A 39 3.322 -7.280 -16.164 1.00 0.00 N ATOM 535 CA SER A 39 4.414 -8.132 -15.708 1.00 0.00 C ATOM 536 C SER A 39 4.642 -7.966 -14.209 1.00 0.00 C ATOM 537 O SER A 39 4.160 -7.013 -13.597 1.00 0.00 O ATOM 538 CB SER A 39 5.699 -7.802 -16.471 1.00 0.00 C ATOM 539 OG SER A 39 5.559 -8.084 -17.852 1.00 0.00 O ATOM 0 H SER A 39 3.137 -6.475 -15.566 1.00 0.00 H new ATOM 0 HA SER A 39 4.140 -9.169 -15.904 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.946 -6.749 -16.335 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.528 -8.379 -16.061 1.00 0.00 H new ATOM 0 HG SER A 39 4.652 -8.411 -18.029 1.00 0.00 H new ATOM 545 N VAL A 40 5.383 -8.902 -13.622 1.00 0.00 N ATOM 546 CA VAL A 40 5.677 -8.861 -12.195 1.00 0.00 C ATOM 547 C VAL A 40 7.076 -9.394 -11.907 1.00 0.00 C ATOM 548 O VAL A 40 7.439 -10.486 -12.344 1.00 0.00 O ATOM 549 CB VAL A 40 4.651 -9.678 -11.386 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.366 -11.005 -12.072 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.148 -9.898 -9.966 1.00 0.00 C ATOM 0 H VAL A 40 5.790 -9.698 -14.114 1.00 0.00 H new ATOM 0 HA VAL A 40 5.619 -7.816 -11.890 1.00 0.00 H new ATOM 0 HB VAL A 40 3.719 -9.114 -11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.639 -11.569 -11.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.965 -10.821 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.289 -11.578 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.412 -10.477 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.093 -10.441 -9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.297 -8.934 -9.479 1.00 0.00 H new ATOM 561 N LYS A 41 7.859 -8.616 -11.167 1.00 0.00 N ATOM 562 CA LYS A 41 9.219 -9.010 -10.817 1.00 0.00 C ATOM 563 C LYS A 41 9.371 -9.157 -9.306 1.00 0.00 C ATOM 564 O LYS A 41 9.092 -8.225 -8.552 1.00 0.00 O ATOM 565 CB LYS A 41 10.221 -7.980 -11.344 1.00 0.00 C ATOM 566 CG LYS A 41 11.578 -8.571 -11.684 1.00 0.00 C ATOM 567 CD LYS A 41 12.427 -7.596 -12.482 1.00 0.00 C ATOM 568 CE LYS A 41 13.159 -6.620 -11.573 1.00 0.00 C ATOM 569 NZ LYS A 41 14.198 -7.301 -10.752 1.00 0.00 N ATOM 0 H LYS A 41 7.575 -7.709 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 41 9.422 -9.976 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.807 -7.505 -12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.352 -7.197 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.099 -8.841 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.443 -9.489 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.150 -8.148 -13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.793 -7.043 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.625 -5.841 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.442 -6.128 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.887 -6.600 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.748 -7.766 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.686 -8.013 -11.331 1.00 0.00 H new ATOM 583 N ILE A 42 9.816 -10.331 -8.873 1.00 0.00 N ATOM 584 CA ILE A 42 10.008 -10.598 -7.453 1.00 0.00 C ATOM 585 C ILE A 42 11.440 -10.293 -7.025 1.00 0.00 C ATOM 586 O ILE A 42 12.385 -10.936 -7.483 1.00 0.00 O ATOM 587 CB ILE A 42 9.681 -12.062 -7.105 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.311 -12.448 -7.668 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.719 -12.270 -5.599 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.155 -11.794 -6.945 1.00 0.00 C ATOM 0 H ILE A 42 10.050 -11.113 -9.485 1.00 0.00 H new ATOM 0 HA ILE A 42 9.323 -9.944 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 42 10.434 -12.706 -7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.271 -12.175 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.197 -13.531 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.486 -13.310 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.714 -12.030 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.985 -11.620 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.216 -12.113 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.170 -12.087 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.245 -10.710 -7.021 1.00 0.00 H new ATOM 602 N ILE A 43 11.592 -9.311 -6.143 1.00 0.00 N ATOM 603 CA ILE A 43 12.908 -8.924 -5.651 1.00 0.00 C ATOM 604 C ILE A 43 13.381 -9.864 -4.547 1.00 0.00 C ATOM 605 O ILE A 43 12.831 -9.870 -3.445 1.00 0.00 O ATOM 606 CB ILE A 43 12.907 -7.481 -5.114 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.493 -6.504 -6.217 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.279 -7.118 -4.566 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.173 -6.766 -7.543 1.00 0.00 C ATOM 0 H ILE A 43 10.820 -8.769 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 43 13.592 -8.988 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 43 12.183 -7.412 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.413 -6.560 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.721 -5.488 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.262 -6.095 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.538 -7.798 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.021 -7.200 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.832 -6.036 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.253 -6.681 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.925 -7.770 -7.887 1.00 0.00 H new ATOM 621 N ARG A 44 14.404 -10.657 -4.849 1.00 0.00 N ATOM 622 CA ARG A 44 14.951 -11.601 -3.882 1.00 0.00 C ATOM 623 C ARG A 44 16.461 -11.426 -3.747 1.00 0.00 C ATOM 624 O ARG A 44 17.080 -10.684 -4.507 1.00 0.00 O ATOM 625 CB ARG A 44 14.628 -13.036 -4.300 1.00 0.00 C ATOM 626 CG ARG A 44 13.341 -13.164 -5.099 1.00 0.00 C ATOM 627 CD ARG A 44 13.035 -14.615 -5.435 1.00 0.00 C ATOM 628 NE ARG A 44 12.202 -15.249 -4.417 1.00 0.00 N ATOM 629 CZ ARG A 44 11.705 -16.475 -4.533 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.957 -17.196 -5.617 1.00 0.00 N ATOM 631 NH2 ARG A 44 10.956 -16.983 -3.563 1.00 0.00 N ATOM 0 H ARG A 44 14.871 -10.664 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 44 14.491 -11.400 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.454 -13.427 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.555 -13.657 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.514 -12.739 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.424 -12.586 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.530 -14.665 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.969 -15.168 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 44 11.990 -14.721 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.534 -16.809 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.574 -18.137 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.761 -16.432 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.575 -17.925 -3.653 1.00 0.00 H new ATOM 645 N ASN A 45 17.046 -12.115 -2.772 1.00 0.00 N ATOM 646 CA ASN A 45 18.483 -12.036 -2.536 1.00 0.00 C ATOM 647 C ASN A 45 19.254 -12.787 -3.617 1.00 0.00 C ATOM 648 O ASN A 45 18.662 -13.449 -4.470 1.00 0.00 O ATOM 649 CB ASN A 45 18.827 -12.606 -1.159 1.00 0.00 C ATOM 650 CG ASN A 45 20.045 -11.943 -0.546 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.398 -10.818 -0.901 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.695 -12.640 0.379 1.00 0.00 N ATOM 0 H ASN A 45 16.547 -12.734 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 45 18.774 -10.986 -2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.974 -12.479 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.006 -13.678 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.523 -12.246 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.366 -13.569 0.642 1.00 0.00 H new ATOM 659 N ARG A 46 20.578 -12.679 -3.575 1.00 0.00 N ATOM 660 CA ARG A 46 21.431 -13.347 -4.551 1.00 0.00 C ATOM 661 C ARG A 46 21.935 -14.681 -4.009 1.00 0.00 C ATOM 662 O ARG A 46 22.096 -15.647 -4.757 1.00 0.00 O ATOM 663 CB ARG A 46 22.617 -12.454 -4.920 1.00 0.00 C ATOM 664 CG ARG A 46 23.372 -12.923 -6.152 1.00 0.00 C ATOM 665 CD ARG A 46 24.491 -13.885 -5.787 1.00 0.00 C ATOM 666 NE ARG A 46 25.672 -13.187 -5.286 1.00 0.00 N ATOM 667 CZ ARG A 46 26.516 -12.519 -6.065 1.00 0.00 C ATOM 668 NH1 ARG A 46 26.310 -12.459 -7.373 1.00 0.00 N ATOM 669 NH2 ARG A 46 27.568 -11.909 -5.535 1.00 0.00 N ATOM 0 H ARG A 46 21.083 -12.135 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 46 20.837 -13.538 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.258 -11.439 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.306 -12.412 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.681 -13.411 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.787 -12.062 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.135 -14.584 -5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.763 -14.474 -6.663 1.00 0.00 H new ATOM 0 HE ARG A 46 25.859 -13.214 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.502 -12.926 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.960 -11.945 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.729 -11.953 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 46 28.215 -11.396 -6.134 1.00 0.00 H new ATOM 683 N LEU A 47 22.183 -14.729 -2.705 1.00 0.00 N ATOM 684 CA LEU A 47 22.669 -15.945 -2.062 1.00 0.00 C ATOM 685 C LEU A 47 21.526 -16.705 -1.399 1.00 0.00 C ATOM 686 O LEU A 47 21.410 -17.923 -1.540 1.00 0.00 O ATOM 687 CB LEU A 47 23.739 -15.603 -1.023 1.00 0.00 C ATOM 688 CG LEU A 47 25.167 -15.461 -1.552 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.982 -14.548 -0.649 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.830 -16.825 -1.673 1.00 0.00 C ATOM 0 H LEU A 47 22.056 -13.940 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 47 23.107 -16.582 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.459 -14.669 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.732 -16.377 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 47 25.123 -15.012 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.995 -14.459 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.518 -13.562 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.018 -14.968 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.845 -16.704 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.862 -17.302 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.259 -17.448 -2.361 1.00 0.00 H new ATOM 702 N THR A 48 20.679 -15.978 -0.675 1.00 0.00 N ATOM 703 CA THR A 48 19.544 -16.584 0.009 1.00 0.00 C ATOM 704 C THR A 48 18.357 -16.748 -0.934 1.00 0.00 C ATOM 705 O THR A 48 17.426 -17.500 -0.651 1.00 0.00 O ATOM 706 CB THR A 48 19.107 -15.744 1.224 1.00 0.00 C ATOM 707 OG1 THR A 48 18.572 -14.490 0.785 1.00 0.00 O ATOM 708 CG2 THR A 48 20.279 -15.500 2.163 1.00 0.00 C ATOM 0 H THR A 48 20.758 -14.969 -0.548 1.00 0.00 H new ATOM 0 HA THR A 48 19.870 -17.566 0.353 1.00 0.00 H new ATOM 0 HB THR A 48 18.339 -16.298 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.295 -13.962 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.946 -14.905 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.666 -16.455 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.066 -14.965 1.631 1.00 0.00 H new ATOM 716 N GLY A 49 18.398 -16.038 -2.058 1.00 0.00 N ATOM 717 CA GLY A 49 17.320 -16.120 -3.027 1.00 0.00 C ATOM 718 C GLY A 49 15.965 -15.830 -2.412 1.00 0.00 C ATOM 719 O GLY A 49 14.930 -16.106 -3.018 1.00 0.00 O ATOM 0 H GLY A 49 19.158 -15.408 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.508 -15.413 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.309 -17.116 -3.470 1.00 0.00 H new ATOM 723 N ILE A 50 15.971 -15.276 -1.205 1.00 0.00 N ATOM 724 CA ILE A 50 14.733 -14.950 -0.508 1.00 0.00 C ATOM 725 C ILE A 50 14.170 -13.615 -0.982 1.00 0.00 C ATOM 726 O ILE A 50 14.895 -12.636 -1.165 1.00 0.00 O ATOM 727 CB ILE A 50 14.944 -14.892 1.017 1.00 0.00 C ATOM 728 CG1 ILE A 50 15.456 -16.238 1.534 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.648 -14.508 1.716 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.544 -16.312 3.042 1.00 0.00 C ATOM 0 H ILE A 50 16.819 -15.043 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 50 14.023 -15.744 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 50 15.692 -14.131 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.797 -17.030 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.442 -16.429 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.813 -14.471 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.322 -13.529 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.880 -15.248 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.914 -17.294 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.226 -15.543 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.555 -16.153 3.472 1.00 0.00 H new ATOM 742 N PRO A 51 12.845 -13.570 -1.187 1.00 0.00 N ATOM 743 CA PRO A 51 12.155 -12.360 -1.641 1.00 0.00 C ATOM 744 C PRO A 51 12.125 -11.273 -0.571 1.00 0.00 C ATOM 745 O PRO A 51 11.502 -11.439 0.478 1.00 0.00 O ATOM 746 CB PRO A 51 10.737 -12.852 -1.942 1.00 0.00 C ATOM 747 CG PRO A 51 10.563 -14.056 -1.082 1.00 0.00 C ATOM 748 CD PRO A 51 11.920 -14.698 -0.989 1.00 0.00 C ATOM 0 HA PRO A 51 12.654 -11.904 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.995 -12.088 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.619 -13.099 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.193 -13.780 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.835 -14.743 -1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.072 -15.178 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.054 -15.466 -1.751 1.00 0.00 H new ATOM 756 N ALA A 52 12.802 -10.163 -0.843 1.00 0.00 N ATOM 757 CA ALA A 52 12.851 -9.049 0.096 1.00 0.00 C ATOM 758 C ALA A 52 11.500 -8.842 0.773 1.00 0.00 C ATOM 759 O ALA A 52 11.430 -8.369 1.907 1.00 0.00 O ATOM 760 CB ALA A 52 13.286 -7.777 -0.617 1.00 0.00 C ATOM 0 H ALA A 52 13.324 -10.011 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 52 13.582 -9.288 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.318 -6.953 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.276 -7.922 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.575 -7.543 -1.410 1.00 0.00 H new ATOM 766 N GLY A 53 10.430 -9.200 0.071 1.00 0.00 N ATOM 767 CA GLY A 53 9.096 -9.045 0.621 1.00 0.00 C ATOM 768 C GLY A 53 8.216 -8.155 -0.234 1.00 0.00 C ATOM 769 O GLY A 53 7.064 -7.893 0.112 1.00 0.00 O ATOM 0 H GLY A 53 10.463 -9.595 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.630 -10.026 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.167 -8.625 1.624 1.00 0.00 H new ATOM 773 N TYR A 54 8.759 -7.687 -1.352 1.00 0.00 N ATOM 774 CA TYR A 54 8.017 -6.817 -2.256 1.00 0.00 C ATOM 775 C TYR A 54 8.317 -7.162 -3.712 1.00 0.00 C ATOM 776 O TYR A 54 9.322 -7.805 -4.015 1.00 0.00 O ATOM 777 CB TYR A 54 8.363 -5.351 -1.987 1.00 0.00 C ATOM 778 CG TYR A 54 9.725 -4.946 -2.503 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.876 -5.220 -1.774 1.00 0.00 C ATOM 780 CD2 TYR A 54 9.862 -4.287 -3.719 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.123 -4.851 -2.241 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.104 -3.916 -4.194 1.00 0.00 C ATOM 783 CZ TYR A 54 12.232 -4.200 -3.452 1.00 0.00 C ATOM 784 OH TYR A 54 13.471 -3.830 -3.922 1.00 0.00 O ATOM 0 H TYR A 54 9.711 -7.896 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 54 6.953 -6.971 -2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.606 -4.717 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.321 -5.168 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.794 -5.730 -0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.982 -4.061 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.007 -5.071 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.192 -3.406 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 54 13.372 -3.383 -4.788 1.00 0.00 H new ATOM 794 N CYS A 55 7.437 -6.729 -4.608 1.00 0.00 N ATOM 795 CA CYS A 55 7.606 -6.991 -6.033 1.00 0.00 C ATOM 796 C CYS A 55 7.096 -5.819 -6.866 1.00 0.00 C ATOM 797 O CYS A 55 6.243 -5.052 -6.420 1.00 0.00 O ATOM 798 CB CYS A 55 6.868 -8.272 -6.428 1.00 0.00 C ATOM 799 SG CYS A 55 5.130 -8.019 -6.858 1.00 0.00 S ATOM 0 H CYS A 55 6.600 -6.195 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 55 8.671 -7.117 -6.230 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.379 -8.726 -7.277 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.928 -8.982 -5.603 1.00 0.00 H new ATOM 0 HG CYS A 55 4.379 -8.715 -6.057 1.00 0.00 H new ATOM 805 N PHE A 56 7.627 -5.686 -8.077 1.00 0.00 N ATOM 806 CA PHE A 56 7.228 -4.606 -8.972 1.00 0.00 C ATOM 807 C PHE A 56 6.268 -5.113 -10.043 1.00 0.00 C ATOM 808 O PHE A 56 6.443 -6.206 -10.583 1.00 0.00 O ATOM 809 CB PHE A 56 8.459 -3.979 -9.630 1.00 0.00 C ATOM 810 CG PHE A 56 9.310 -3.187 -8.678 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.852 -1.990 -8.151 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.567 -3.639 -8.311 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.632 -1.259 -7.275 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.351 -2.912 -7.435 1.00 0.00 C ATOM 815 CZ PHE A 56 10.883 -1.720 -6.918 1.00 0.00 C ATOM 0 H PHE A 56 8.334 -6.312 -8.461 1.00 0.00 H new ATOM 0 HA PHE A 56 6.715 -3.848 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.065 -4.768 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.135 -3.329 -10.443 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.874 -1.624 -8.428 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.938 -4.570 -8.714 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.263 -0.328 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.329 -3.276 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.495 -1.149 -6.235 1.00 0.00 H new ATOM 825 N VAL A 57 5.251 -4.312 -10.346 1.00 0.00 N ATOM 826 CA VAL A 57 4.263 -4.678 -11.353 1.00 0.00 C ATOM 827 C VAL A 57 4.205 -3.641 -12.470 1.00 0.00 C ATOM 828 O VAL A 57 4.046 -2.448 -12.213 1.00 0.00 O ATOM 829 CB VAL A 57 2.860 -4.829 -10.734 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.612 -6.271 -10.320 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.698 -3.890 -9.549 1.00 0.00 C ATOM 0 H VAL A 57 5.090 -3.405 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 57 4.574 -5.637 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 57 2.118 -4.560 -11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.616 -6.359 -9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.684 -6.918 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.357 -6.571 -9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.702 -4.009 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.446 -4.126 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.830 -2.860 -9.880 1.00 0.00 H new ATOM 841 N GLU A 58 4.335 -4.105 -13.709 1.00 0.00 N ATOM 842 CA GLU A 58 4.297 -3.217 -14.864 1.00 0.00 C ATOM 843 C GLU A 58 2.871 -3.062 -15.385 1.00 0.00 C ATOM 844 O GLU A 58 2.029 -3.939 -15.193 1.00 0.00 O ATOM 845 CB GLU A 58 5.203 -3.751 -15.976 1.00 0.00 C ATOM 846 CG GLU A 58 5.612 -2.694 -16.988 1.00 0.00 C ATOM 847 CD GLU A 58 6.952 -2.991 -17.632 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.230 -4.177 -17.906 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.723 -2.035 -17.862 1.00 0.00 O ATOM 0 H GLU A 58 4.467 -5.090 -13.938 1.00 0.00 H new ATOM 0 HA GLU A 58 4.659 -2.238 -14.549 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.100 -4.179 -15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.689 -4.560 -16.495 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.848 -2.623 -17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.657 -1.723 -16.495 1.00 0.00 H new ATOM 856 N PHE A 59 2.608 -1.940 -16.046 1.00 0.00 N ATOM 857 CA PHE A 59 1.284 -1.668 -16.594 1.00 0.00 C ATOM 858 C PHE A 59 1.388 -0.921 -17.921 1.00 0.00 C ATOM 859 O PHE A 59 2.482 -0.582 -18.371 1.00 0.00 O ATOM 860 CB PHE A 59 0.455 -0.853 -15.600 1.00 0.00 C ATOM 861 CG PHE A 59 -0.035 -1.655 -14.429 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.220 -2.369 -14.508 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.689 -1.696 -13.248 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.674 -3.107 -13.431 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.241 -2.433 -12.168 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.942 -3.140 -12.260 1.00 0.00 C ATOM 0 H PHE A 59 3.294 -1.204 -16.215 1.00 0.00 H new ATOM 0 HA PHE A 59 0.789 -2.622 -16.772 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.056 -0.021 -15.234 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.401 -0.423 -16.120 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.796 -2.349 -15.422 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.615 -1.145 -13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.600 -3.657 -13.505 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.815 -2.456 -11.254 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.294 -3.718 -11.418 1.00 0.00 H new ATOM 876 N ALA A 60 0.240 -0.667 -18.541 1.00 0.00 N ATOM 877 CA ALA A 60 0.200 0.041 -19.815 1.00 0.00 C ATOM 878 C ALA A 60 0.934 1.375 -19.724 1.00 0.00 C ATOM 879 O ALA A 60 1.845 1.647 -20.506 1.00 0.00 O ATOM 880 CB ALA A 60 -1.240 0.257 -20.253 1.00 0.00 C ATOM 0 H ALA A 60 -0.674 -0.941 -18.182 1.00 0.00 H new ATOM 0 HA ALA A 60 0.706 -0.572 -20.560 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.255 0.787 -21.206 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.734 -0.708 -20.366 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.764 0.847 -19.501 1.00 0.00 H new ATOM 886 N ASP A 61 0.531 2.202 -18.767 1.00 0.00 N ATOM 887 CA ASP A 61 1.151 3.508 -18.574 1.00 0.00 C ATOM 888 C ASP A 61 0.931 4.010 -17.150 1.00 0.00 C ATOM 889 O ASP A 61 0.163 3.424 -16.386 1.00 0.00 O ATOM 890 CB ASP A 61 0.586 4.517 -19.576 1.00 0.00 C ATOM 891 CG ASP A 61 0.469 3.941 -20.974 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.447 4.047 -21.743 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.601 3.384 -21.297 1.00 0.00 O ATOM 0 H ASP A 61 -0.222 1.992 -18.112 1.00 0.00 H new ATOM 0 HA ASP A 61 2.223 3.402 -18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.396 4.848 -19.239 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.228 5.398 -19.602 1.00 0.00 H new ATOM 898 N LEU A 62 1.610 5.096 -16.800 1.00 0.00 N ATOM 899 CA LEU A 62 1.491 5.676 -15.466 1.00 0.00 C ATOM 900 C LEU A 62 0.029 5.935 -15.114 1.00 0.00 C ATOM 901 O LEU A 62 -0.417 5.628 -14.009 1.00 0.00 O ATOM 902 CB LEU A 62 2.286 6.980 -15.383 1.00 0.00 C ATOM 903 CG LEU A 62 2.252 7.701 -14.035 1.00 0.00 C ATOM 904 CD1 LEU A 62 3.037 6.921 -12.992 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.802 9.114 -14.172 1.00 0.00 C ATOM 0 H LEU A 62 2.249 5.593 -17.421 1.00 0.00 H new ATOM 0 HA LEU A 62 1.898 4.963 -14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.325 6.765 -15.632 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.910 7.661 -16.146 1.00 0.00 H new ATOM 0 HG LEU A 62 1.215 7.766 -13.706 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.001 7.450 -12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.599 5.930 -12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.074 6.824 -13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.770 9.612 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.833 9.071 -14.524 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.197 9.672 -14.887 1.00 0.00 H new ATOM 917 N ALA A 63 -0.712 6.499 -16.063 1.00 0.00 N ATOM 918 CA ALA A 63 -2.124 6.794 -15.855 1.00 0.00 C ATOM 919 C ALA A 63 -2.861 5.584 -15.293 1.00 0.00 C ATOM 920 O ALA A 63 -3.435 5.642 -14.205 1.00 0.00 O ATOM 921 CB ALA A 63 -2.765 7.249 -17.157 1.00 0.00 C ATOM 0 H ALA A 63 -0.357 6.760 -16.983 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.198 7.601 -15.126 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.820 7.466 -16.987 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.263 8.148 -17.515 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.673 6.460 -17.903 1.00 0.00 H new ATOM 927 N THR A 64 -2.843 4.486 -16.043 1.00 0.00 N ATOM 928 CA THR A 64 -3.512 3.261 -15.621 1.00 0.00 C ATOM 929 C THR A 64 -2.994 2.791 -14.266 1.00 0.00 C ATOM 930 O THR A 64 -3.758 2.298 -13.436 1.00 0.00 O ATOM 931 CB THR A 64 -3.320 2.132 -16.651 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.865 2.525 -17.915 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.990 0.850 -16.180 1.00 0.00 C ATOM 0 H THR A 64 -2.372 4.420 -16.946 1.00 0.00 H new ATOM 0 HA THR A 64 -4.574 3.492 -15.541 1.00 0.00 H new ATOM 0 HB THR A 64 -2.251 1.946 -16.759 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.738 1.803 -18.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.841 0.067 -16.924 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.552 0.538 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.058 1.025 -16.047 1.00 0.00 H new ATOM 941 N ALA A 65 -1.692 2.947 -14.049 1.00 0.00 N ATOM 942 CA ALA A 65 -1.073 2.540 -12.793 1.00 0.00 C ATOM 943 C ALA A 65 -1.741 3.225 -11.605 1.00 0.00 C ATOM 944 O ALA A 65 -2.043 2.585 -10.599 1.00 0.00 O ATOM 945 CB ALA A 65 0.416 2.849 -12.815 1.00 0.00 C ATOM 0 H ALA A 65 -1.046 3.352 -14.726 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.208 1.464 -12.681 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.866 2.540 -11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.888 2.309 -13.636 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.563 3.920 -12.954 1.00 0.00 H new ATOM 951 N GLU A 66 -1.966 4.529 -11.730 1.00 0.00 N ATOM 952 CA GLU A 66 -2.596 5.300 -10.664 1.00 0.00 C ATOM 953 C GLU A 66 -3.971 4.733 -10.323 1.00 0.00 C ATOM 954 O GLU A 66 -4.184 4.203 -9.232 1.00 0.00 O ATOM 955 CB GLU A 66 -2.726 6.769 -11.075 1.00 0.00 C ATOM 956 CG GLU A 66 -1.535 7.621 -10.671 1.00 0.00 C ATOM 957 CD GLU A 66 -1.627 9.040 -11.197 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.212 9.272 -12.352 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.114 9.918 -10.455 1.00 0.00 O ATOM 0 H GLU A 66 -1.722 5.073 -12.557 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.964 5.232 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.852 6.825 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.628 7.185 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.462 7.645 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.620 7.159 -11.042 1.00 0.00 H new ATOM 966 N LYS A 67 -4.903 4.849 -11.263 1.00 0.00 N ATOM 967 CA LYS A 67 -6.258 4.348 -11.064 1.00 0.00 C ATOM 968 C LYS A 67 -6.238 2.897 -10.595 1.00 0.00 C ATOM 969 O LYS A 67 -6.998 2.512 -9.706 1.00 0.00 O ATOM 970 CB LYS A 67 -7.062 4.465 -12.361 1.00 0.00 C ATOM 971 CG LYS A 67 -7.087 5.871 -12.936 1.00 0.00 C ATOM 972 CD LYS A 67 -7.191 5.851 -14.452 1.00 0.00 C ATOM 973 CE LYS A 67 -8.630 5.670 -14.910 1.00 0.00 C ATOM 974 NZ LYS A 67 -8.871 6.291 -16.242 1.00 0.00 N ATOM 0 H LYS A 67 -4.745 5.286 -12.171 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.733 4.954 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.641 3.786 -13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.085 4.139 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.931 6.421 -12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.183 6.403 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.793 6.782 -14.857 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.577 5.042 -14.849 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.865 4.607 -14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.303 6.113 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.863 6.146 -16.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.671 7.310 -16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.247 5.851 -16.948 1.00 0.00 H new ATOM 988 N CYS A 68 -5.364 2.098 -11.197 1.00 0.00 N ATOM 989 CA CYS A 68 -5.245 0.688 -10.839 1.00 0.00 C ATOM 990 C CYS A 68 -4.638 0.529 -9.449 1.00 0.00 C ATOM 991 O CYS A 68 -4.710 -0.543 -8.848 1.00 0.00 O ATOM 992 CB CYS A 68 -4.390 -0.050 -11.870 1.00 0.00 C ATOM 993 SG CYS A 68 -4.526 -1.851 -11.787 1.00 0.00 S ATOM 0 H CYS A 68 -4.728 2.401 -11.934 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.245 0.255 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.678 0.280 -12.868 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.346 0.232 -11.730 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.138 -2.289 -12.847 1.00 0.00 H new ATOM 999 N LEU A 69 -4.039 1.602 -8.945 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.417 1.582 -7.625 1.00 0.00 C ATOM 1001 C LEU A 69 -4.392 2.066 -6.556 1.00 0.00 C ATOM 1002 O LEU A 69 -4.328 1.639 -5.403 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.160 2.454 -7.619 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.762 3.047 -6.267 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.959 2.041 -5.458 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.971 4.332 -6.461 1.00 0.00 C ATOM 0 H LEU A 69 -3.971 2.497 -9.430 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.139 0.553 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.327 1.858 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.306 3.273 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.671 3.283 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.685 2.481 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.560 1.148 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.056 1.772 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.696 4.740 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.068 4.121 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.581 5.057 -7.000 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.295 2.960 -6.948 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.285 3.501 -6.023 1.00 0.00 C ATOM 1020 C HIS A 70 -7.489 2.570 -5.911 1.00 0.00 C ATOM 1021 O HIS A 70 -8.317 2.714 -5.012 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.739 4.887 -6.482 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.669 5.931 -6.382 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.371 6.593 -5.210 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.823 6.424 -7.317 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.390 7.450 -5.428 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -4.039 7.367 -6.699 1.00 0.00 N ATOM 0 H HIS A 70 -5.361 3.324 -7.898 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.820 3.586 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.079 4.825 -7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.595 5.197 -5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.774 6.130 -8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.950 8.107 -4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.305 7.914 -7.148 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.580 1.616 -6.831 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.682 0.661 -6.836 1.00 0.00 C ATOM 1037 C LYS A 71 -8.372 -0.532 -5.938 1.00 0.00 C ATOM 1038 O LYS A 71 -9.271 -1.278 -5.549 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.960 0.180 -8.262 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.828 -0.636 -8.861 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.992 -2.118 -8.569 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.143 -2.718 -9.362 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.242 -4.191 -9.168 1.00 0.00 N ATOM 0 H LYS A 71 -6.904 1.483 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.568 1.164 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.869 -0.421 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.149 1.045 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.796 -0.478 -9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.876 -0.289 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.068 -2.642 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.169 -2.263 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.078 -2.248 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.007 -2.500 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.884 -4.593 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.300 -4.619 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.612 -4.392 -8.217 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.096 -0.706 -5.611 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.669 -1.806 -4.757 1.00 0.00 C ATOM 1059 C ILE A 72 -5.849 -1.299 -3.575 1.00 0.00 C ATOM 1060 O ILE A 72 -5.474 -2.068 -2.691 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.835 -2.837 -5.540 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.086 -2.154 -6.686 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.729 -3.947 -6.072 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.377 -3.123 -7.607 1.00 0.00 C ATOM 0 H ILE A 72 -6.340 -0.098 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.575 -2.288 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.103 -3.279 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.792 -1.562 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.355 -1.460 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.125 -4.668 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.222 -4.448 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.482 -3.521 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.868 -2.569 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.647 -3.698 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.105 -3.801 -8.052 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.576 0.002 -3.566 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.802 0.613 -2.492 1.00 0.00 C ATOM 1078 C ASN A 73 -5.530 0.487 -1.157 1.00 0.00 C ATOM 1079 O ASN A 73 -6.224 1.407 -0.728 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.535 2.087 -2.803 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.351 2.919 -1.548 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.226 3.699 -1.174 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.208 2.755 -0.892 1.00 0.00 N ATOM 0 H ASN A 73 -5.879 0.653 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.851 0.086 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.643 2.169 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.365 2.489 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.028 3.287 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.511 2.097 -1.239 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.364 -0.660 -0.505 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.011 -0.885 0.775 1.00 0.00 C ATOM 1092 C GLY A 74 -7.020 -2.015 0.723 1.00 0.00 C ATOM 1093 O GLY A 74 -7.379 -2.584 1.754 1.00 0.00 O ATOM 0 H GLY A 74 -4.794 -1.437 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.255 -1.112 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.511 0.030 1.092 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.480 -2.341 -0.480 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.455 -3.410 -0.663 1.00 0.00 C ATOM 1099 C LYS A 75 -7.876 -4.753 -0.231 1.00 0.00 C ATOM 1100 O LYS A 75 -6.662 -4.955 -0.209 1.00 0.00 O ATOM 1101 CB LYS A 75 -8.896 -3.480 -2.127 1.00 0.00 C ATOM 1102 CG LYS A 75 -9.909 -2.414 -2.508 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.269 -2.691 -1.889 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.067 -3.685 -2.719 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.376 -4.010 -2.086 1.00 0.00 N ATOM 0 H LYS A 75 -7.193 -1.880 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.321 -3.190 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.019 -3.382 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.325 -4.463 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.551 -1.438 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.004 -2.372 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.138 -3.081 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.827 -1.759 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.237 -3.274 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.488 -4.600 -2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.890 -4.690 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.214 -4.426 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.939 -3.141 -1.987 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.764 -5.695 0.120 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.364 -7.037 0.556 1.00 0.00 C ATOM 1121 C PRO A 76 -7.785 -7.868 -0.583 1.00 0.00 C ATOM 1122 O PRO A 76 -8.394 -7.991 -1.647 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.674 -7.652 1.056 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.742 -6.923 0.316 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.227 -5.524 0.118 1.00 0.00 C ATOM 0 HA PRO A 76 -7.578 -7.004 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.712 -8.722 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.784 -7.528 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.950 -7.401 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.675 -6.919 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.580 -5.095 -0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.555 -4.858 0.917 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.607 -8.438 -0.354 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.946 -9.259 -1.362 1.00 0.00 C ATOM 1135 C LEU A 77 -6.511 -10.676 -1.367 1.00 0.00 C ATOM 1136 O LEU A 77 -6.507 -11.375 -0.353 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.438 -9.299 -1.107 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.690 -10.496 -1.694 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.753 -10.472 -3.213 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.244 -10.507 -1.218 1.00 0.00 C ATOM 0 H LEU A 77 -6.090 -8.347 0.521 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.131 -8.811 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.997 -8.387 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.271 -9.284 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.173 -11.409 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.215 -11.332 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.794 -10.513 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.295 -9.554 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.727 -11.366 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.749 -9.590 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.219 -10.573 -0.130 1.00 0.00 H new ATOM 1152 N PRO A 78 -7.006 -11.113 -2.534 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.581 -12.451 -2.699 1.00 0.00 C ATOM 1154 C PRO A 78 -6.525 -13.548 -2.625 1.00 0.00 C ATOM 1155 O PRO A 78 -5.386 -13.357 -3.049 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.202 -12.400 -4.098 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.425 -11.354 -4.819 1.00 0.00 C ATOM 1158 CD PRO A 78 -7.043 -10.333 -3.783 1.00 0.00 C ATOM 0 HA PRO A 78 -8.294 -12.689 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.127 -13.365 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.261 -12.146 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.540 -11.781 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.021 -10.902 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.076 -9.880 -4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.770 -9.523 -3.730 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.911 -14.700 -2.083 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.985 -15.811 -1.964 1.00 0.00 C ATOM 1168 C GLY A 79 -5.249 -15.812 -0.639 1.00 0.00 C ATOM 1169 O GLY A 79 -5.178 -16.837 0.038 1.00 0.00 O ATOM 0 H GLY A 79 -7.848 -14.883 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.531 -16.748 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.262 -15.766 -2.778 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.698 -14.661 -0.269 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.964 -14.533 0.984 1.00 0.00 C ATOM 1175 C ALA A 80 -4.764 -15.102 2.150 1.00 0.00 C ATOM 1176 O ALA A 80 -5.948 -14.800 2.311 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.612 -13.076 1.244 1.00 0.00 C ATOM 0 H ALA A 80 -4.746 -13.803 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.042 -15.108 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.064 -12.996 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.993 -12.700 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.527 -12.486 1.306 1.00 0.00 H new ATOM 1183 N THR A 81 -4.113 -15.929 2.962 1.00 0.00 N ATOM 1184 CA THR A 81 -4.764 -16.542 4.113 1.00 0.00 C ATOM 1185 C THR A 81 -4.084 -16.132 5.414 1.00 0.00 C ATOM 1186 O THR A 81 -2.857 -16.117 5.523 1.00 0.00 O ATOM 1187 CB THR A 81 -4.762 -18.079 4.007 1.00 0.00 C ATOM 1188 OG1 THR A 81 -5.273 -18.483 2.733 1.00 0.00 O ATOM 1189 CG2 THR A 81 -5.599 -18.699 5.116 1.00 0.00 C ATOM 0 H THR A 81 -3.134 -16.190 2.843 1.00 0.00 H new ATOM 0 HA THR A 81 -5.795 -16.187 4.119 1.00 0.00 H new ATOM 0 HB THR A 81 -3.734 -18.427 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.267 -19.461 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.583 -19.785 5.021 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.188 -18.414 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.626 -18.343 5.038 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.895 -15.791 6.425 1.00 0.00 N ATOM 1198 CA PRO A 82 -6.357 -15.805 6.307 1.00 0.00 C ATOM 1199 C PRO A 82 -6.874 -14.701 5.391 1.00 0.00 C ATOM 1200 O PRO A 82 -7.708 -14.945 4.519 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.831 -15.573 7.744 1.00 0.00 C ATOM 1202 CG PRO A 82 -5.708 -14.847 8.401 1.00 0.00 C ATOM 1203 CD PRO A 82 -4.449 -15.366 7.763 1.00 0.00 C ATOM 0 HA PRO A 82 -6.722 -16.734 5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.749 -14.986 7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.042 -16.516 8.248 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.803 -13.771 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.703 -15.027 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.681 -14.595 7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.025 -16.196 8.328 1.00 0.00 H new ATOM 1211 N ALA A 83 -6.374 -13.486 5.594 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.784 -12.346 4.785 1.00 0.00 C ATOM 1213 C ALA A 83 -5.729 -11.245 4.812 1.00 0.00 C ATOM 1214 O ALA A 83 -5.426 -10.687 5.866 1.00 0.00 O ATOM 1215 CB ALA A 83 -8.122 -11.809 5.270 1.00 0.00 C ATOM 0 H ALA A 83 -5.684 -13.267 6.312 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.892 -12.684 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.416 -10.957 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.878 -12.591 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.032 -11.494 6.309 1.00 0.00 H new ATOM 1221 N LYS A 84 -5.171 -10.938 3.646 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.149 -9.904 3.534 1.00 0.00 C ATOM 1223 C LYS A 84 -4.707 -8.660 2.851 1.00 0.00 C ATOM 1224 O LYS A 84 -5.762 -8.708 2.218 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.944 -10.431 2.753 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.848 -9.398 2.555 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.519 -10.053 2.218 1.00 0.00 C ATOM 1228 CE LYS A 84 0.158 -10.611 3.461 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.391 -11.943 3.840 1.00 0.00 N ATOM 0 H LYS A 84 -5.410 -11.391 2.764 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.830 -9.632 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.530 -11.292 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.280 -10.784 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.131 -8.715 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.741 -8.801 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.680 -10.856 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.137 -9.324 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.230 -10.697 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.027 -9.915 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.367 -12.528 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.147 -11.819 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.776 -12.413 2.996 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.992 -7.547 2.982 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.416 -6.291 2.377 1.00 0.00 C ATOM 1245 C ARG A 85 -3.536 -5.939 1.181 1.00 0.00 C ATOM 1246 O ARG A 85 -2.398 -6.397 1.078 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.367 -5.161 3.408 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.406 -4.077 3.173 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.849 -3.438 4.480 1.00 0.00 C ATOM 1250 NE ARG A 85 -5.024 -2.286 4.834 1.00 0.00 N ATOM 1251 CZ ARG A 85 -5.245 -1.057 4.379 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -6.259 -0.822 3.558 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -4.450 -0.060 4.747 1.00 0.00 N ATOM 0 H ARG A 85 -3.116 -7.490 3.502 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.442 -6.413 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.512 -5.582 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.375 -4.710 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.994 -3.313 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.270 -4.504 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.890 -3.126 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.801 -4.177 5.279 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.236 -2.433 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.872 -1.586 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.426 0.122 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.669 -0.237 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.620 0.883 4.398 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.072 -5.124 0.278 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.336 -4.713 -0.912 1.00 0.00 C ATOM 1269 C PHE A 86 -2.439 -3.516 -0.610 1.00 0.00 C ATOM 1270 O PHE A 86 -2.901 -2.376 -0.558 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.308 -4.364 -2.042 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.619 -5.524 -2.944 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.609 -6.168 -3.640 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.922 -5.971 -3.094 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.894 -7.235 -4.471 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.212 -7.038 -3.924 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.196 -7.671 -4.612 1.00 0.00 C ATOM 0 H PHE A 86 -5.013 -4.736 0.348 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.707 -5.546 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.236 -3.991 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.885 -3.554 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.588 -5.833 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.720 -5.480 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.098 -7.728 -5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.232 -7.376 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.420 -8.506 -5.259 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.153 -3.784 -0.411 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.188 -2.731 -0.115 1.00 0.00 C ATOM 1289 C LYS A 87 0.530 -2.279 -1.383 1.00 0.00 C ATOM 1290 O LYS A 87 1.476 -2.924 -1.836 1.00 0.00 O ATOM 1291 CB LYS A 87 0.832 -3.221 0.915 1.00 0.00 C ATOM 1292 CG LYS A 87 1.382 -2.116 1.800 1.00 0.00 C ATOM 1293 CD LYS A 87 0.541 -1.935 3.052 1.00 0.00 C ATOM 1294 CE LYS A 87 0.739 -0.555 3.661 1.00 0.00 C ATOM 1295 NZ LYS A 87 -0.071 -0.373 4.898 1.00 0.00 N ATOM 0 H LYS A 87 -0.754 -4.722 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.731 -1.880 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.365 -3.980 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.659 -3.703 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.409 -2.350 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.410 -1.181 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.512 -2.079 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.806 -2.698 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.794 -0.408 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.464 0.207 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.092 0.580 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.080 -0.488 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.209 -1.084 5.604 1.00 0.00 H new ATOM 1309 N LEU A 88 0.076 -1.167 -1.949 1.00 0.00 N ATOM 1310 CA LEU A 88 0.676 -0.627 -3.164 1.00 0.00 C ATOM 1311 C LEU A 88 1.119 0.818 -2.958 1.00 0.00 C ATOM 1312 O LEU A 88 0.545 1.543 -2.147 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.316 -0.707 -4.326 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.003 -2.058 -4.530 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.024 -1.973 -5.654 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.025 -3.141 -4.821 1.00 0.00 C ATOM 0 H LEU A 88 -0.706 -0.621 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 88 1.555 -1.226 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.085 0.050 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.210 -0.447 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.526 -2.320 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.503 -2.943 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.778 -1.227 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.524 -1.688 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.482 -4.095 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.577 -2.885 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.718 -3.220 -3.983 1.00 0.00 H new ATOM 1328 N ASN A 89 2.144 1.229 -3.698 1.00 0.00 N ATOM 1329 CA ASN A 89 2.663 2.588 -3.597 1.00 0.00 C ATOM 1330 C ASN A 89 3.338 3.011 -4.898 1.00 0.00 C ATOM 1331 O ASN A 89 3.544 2.194 -5.796 1.00 0.00 O ATOM 1332 CB ASN A 89 3.655 2.692 -2.437 1.00 0.00 C ATOM 1333 CG ASN A 89 2.967 2.929 -1.106 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.684 1.988 -0.365 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.694 4.191 -0.798 1.00 0.00 N ATOM 0 H ASN A 89 2.631 0.640 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 89 1.824 3.258 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.242 1.775 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.353 3.506 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.231 4.412 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.947 4.940 -1.443 1.00 0.00 H new ATOM 1342 N TYR A 90 3.680 4.291 -4.992 1.00 0.00 N ATOM 1343 CA TYR A 90 4.330 4.823 -6.183 1.00 0.00 C ATOM 1344 C TYR A 90 5.744 4.267 -6.327 1.00 0.00 C ATOM 1345 O TYR A 90 6.513 4.244 -5.367 1.00 0.00 O ATOM 1346 CB TYR A 90 4.374 6.351 -6.126 1.00 0.00 C ATOM 1347 CG TYR A 90 3.069 7.009 -6.514 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.361 6.587 -7.633 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.545 8.054 -5.763 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.169 7.185 -7.992 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.353 8.657 -6.114 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.668 8.220 -7.229 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.519 8.819 -7.582 1.00 0.00 O ATOM 0 H TYR A 90 3.518 4.979 -4.257 1.00 0.00 H new ATOM 0 HA TYR A 90 3.748 4.515 -7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.641 6.661 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.163 6.708 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.750 5.777 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.079 8.401 -4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.632 6.845 -8.865 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.959 9.467 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.731 9.529 -6.940 1.00 0.00 H new ATOM 1363 N ALA A 91 6.077 3.821 -7.533 1.00 0.00 N ATOM 1364 CA ALA A 91 7.398 3.268 -7.805 1.00 0.00 C ATOM 1365 C ALA A 91 8.496 4.172 -7.254 1.00 0.00 C ATOM 1366 O ALA A 91 9.625 3.733 -7.034 1.00 0.00 O ATOM 1367 CB ALA A 91 7.586 3.059 -9.300 1.00 0.00 C ATOM 0 H ALA A 91 5.450 3.832 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 91 7.471 2.304 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.577 2.646 -9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.828 2.367 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.487 4.014 -9.816 1.00 0.00 H new