USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 9 SER OG : rot 99:sc= 0.616 USER MOD Set 1.2: A 26 SER OG : rot 173:sc= -1.18 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 140:sc= 0.443 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.014) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= -0.174 (180deg=-2.26!) USER MOD Single : A 52 ASN : amide:sc= -0.137 X(o=-0.14,f=0.0004) USER MOD Single : A 53 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.12) USER MOD Single : A 66 CYS SG : rot -75:sc= -4.98! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0334 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.398 1.478 3.877 1.00 0.00 N ATOM 79 CA SER A 9 -11.483 0.401 3.539 1.00 0.00 C ATOM 80 C SER A 9 -12.268 -0.874 3.224 1.00 0.00 C ATOM 81 O SER A 9 -13.482 -0.923 3.418 1.00 0.00 O ATOM 82 CB SER A 9 -10.489 0.146 4.674 1.00 0.00 C ATOM 83 OG SER A 9 -9.780 -1.077 4.498 1.00 0.00 O ATOM 0 HA SER A 9 -10.917 0.698 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.780 0.972 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.022 0.122 5.624 1.00 0.00 H new ATOM 0 HG SER A 9 -8.897 -0.891 4.116 1.00 0.00 H new ATOM 89 N LYS A 10 -11.543 -1.873 2.743 1.00 0.00 N ATOM 90 CA LYS A 10 -12.157 -3.145 2.400 1.00 0.00 C ATOM 91 C LYS A 10 -11.070 -4.216 2.287 1.00 0.00 C ATOM 92 O LYS A 10 -9.900 -3.899 2.079 1.00 0.00 O ATOM 93 CB LYS A 10 -13.014 -3.003 1.140 1.00 0.00 C ATOM 94 CG LYS A 10 -12.162 -2.577 -0.057 1.00 0.00 C ATOM 95 CD LYS A 10 -12.191 -3.642 -1.156 1.00 0.00 C ATOM 96 CE LYS A 10 -11.972 -3.013 -2.534 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.144 -3.254 -3.405 1.00 0.00 N ATOM 0 H LYS A 10 -10.537 -1.828 2.583 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.839 -3.464 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.506 -3.951 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.800 -2.268 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.531 -1.631 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.134 -2.409 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.419 -4.388 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.148 -4.163 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.804 -1.941 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.077 -3.432 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.979 -2.821 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.287 -4.278 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.991 -2.833 -2.972 1.00 0.00 H new ATOM 111 N PRO A 11 -11.507 -5.496 2.433 1.00 0.00 N ATOM 112 CA PRO A 11 -10.586 -6.616 2.349 1.00 0.00 C ATOM 113 C PRO A 11 -10.178 -6.884 0.899 1.00 0.00 C ATOM 114 O PRO A 11 -10.991 -7.340 0.097 1.00 0.00 O ATOM 115 CB PRO A 11 -11.326 -7.782 2.984 1.00 0.00 C ATOM 116 CG PRO A 11 -12.796 -7.396 2.977 1.00 0.00 C ATOM 117 CD PRO A 11 -12.886 -5.908 2.680 1.00 0.00 C ATOM 0 HA PRO A 11 -9.646 -6.428 2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.161 -8.702 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.974 -7.961 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.337 -7.969 2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.254 -7.621 3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.518 -5.715 1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.318 -5.362 3.519 1.00 0.00 H new ATOM 125 N ILE A 12 -8.920 -6.588 0.608 1.00 0.00 N ATOM 126 CA ILE A 12 -8.395 -6.791 -0.732 1.00 0.00 C ATOM 127 C ILE A 12 -7.467 -8.008 -0.732 1.00 0.00 C ATOM 128 O ILE A 12 -7.178 -8.573 0.322 1.00 0.00 O ATOM 129 CB ILE A 12 -7.731 -5.513 -1.247 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.487 -5.171 -0.425 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.730 -4.354 -1.285 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.561 -4.229 -1.197 1.00 0.00 C ATOM 0 H ILE A 12 -8.249 -6.209 1.277 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.205 -7.006 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.401 -5.688 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.784 -4.705 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.952 -6.086 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.233 -3.457 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.558 -4.609 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.112 -4.169 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.685 -4.002 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.246 -4.708 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.092 -3.305 -1.428 1.00 0.00 H new ATOM 144 N LYS A 13 -7.027 -8.377 -1.926 1.00 0.00 N ATOM 145 CA LYS A 13 -6.138 -9.516 -2.077 1.00 0.00 C ATOM 146 C LYS A 13 -4.862 -9.071 -2.793 1.00 0.00 C ATOM 147 O LYS A 13 -4.923 -8.343 -3.783 1.00 0.00 O ATOM 148 CB LYS A 13 -6.862 -10.671 -2.773 1.00 0.00 C ATOM 149 CG LYS A 13 -5.871 -11.746 -3.224 1.00 0.00 C ATOM 150 CD LYS A 13 -6.222 -13.106 -2.616 1.00 0.00 C ATOM 151 CE LYS A 13 -7.400 -13.748 -3.351 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.017 -14.805 -2.518 1.00 0.00 N ATOM 0 H LYS A 13 -7.270 -7.907 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.839 -9.898 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.594 -11.108 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.412 -10.294 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.877 -11.818 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.861 -11.461 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.355 -13.765 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.470 -12.984 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.143 -12.988 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.059 -14.173 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.815 -15.230 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.310 -15.538 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.360 -14.390 -1.628 1.00 0.00 H new ATOM 166 N VAL A 14 -3.735 -9.525 -2.264 1.00 0.00 N ATOM 167 CA VAL A 14 -2.446 -9.182 -2.840 1.00 0.00 C ATOM 168 C VAL A 14 -1.672 -10.466 -3.148 1.00 0.00 C ATOM 169 O VAL A 14 -1.350 -11.233 -2.242 1.00 0.00 O ATOM 170 CB VAL A 14 -1.689 -8.238 -1.904 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.226 -8.101 -2.329 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.371 -6.871 -1.836 1.00 0.00 C ATOM 0 H VAL A 14 -3.688 -10.128 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.578 -8.648 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.707 -8.671 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.289 -7.425 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.254 -9.079 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.177 -7.701 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.813 -6.219 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.398 -6.428 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.389 -6.990 -1.464 1.00 0.00 H new ATOM 182 N THR A 15 -1.397 -10.660 -4.430 1.00 0.00 N ATOM 183 CA THR A 15 -0.668 -11.837 -4.868 1.00 0.00 C ATOM 184 C THR A 15 0.838 -11.569 -4.851 1.00 0.00 C ATOM 185 O THR A 15 1.305 -10.593 -5.437 1.00 0.00 O ATOM 186 CB THR A 15 -1.198 -12.236 -6.247 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.526 -12.685 -5.992 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.490 -13.468 -6.813 1.00 0.00 C ATOM 0 H THR A 15 -1.666 -10.022 -5.179 1.00 0.00 H new ATOM 0 HA THR A 15 -0.825 -12.674 -4.188 1.00 0.00 H new ATOM 0 HB THR A 15 -1.079 -11.401 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.945 -12.962 -6.834 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.904 -13.708 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.576 -13.262 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.637 -14.313 -6.140 1.00 0.00 H new ATOM 196 N LEU A 16 1.557 -12.451 -4.172 1.00 0.00 N ATOM 197 CA LEU A 16 3.000 -12.322 -4.071 1.00 0.00 C ATOM 198 C LEU A 16 3.618 -12.436 -5.466 1.00 0.00 C ATOM 199 O LEU A 16 2.989 -12.956 -6.386 1.00 0.00 O ATOM 200 CB LEU A 16 3.560 -13.331 -3.066 1.00 0.00 C ATOM 201 CG LEU A 16 3.089 -13.168 -1.619 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.500 -14.373 -0.770 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.589 -11.850 -1.025 1.00 0.00 C ATOM 0 H LEU A 16 1.166 -13.258 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 16 3.267 -11.339 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.296 -14.334 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.648 -13.265 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 16 2.000 -13.129 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.153 -14.232 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.054 -15.278 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.586 -14.469 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.240 -11.759 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.679 -11.834 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.205 -11.017 -1.613 1.00 0.00 H new ATOM 215 N PRO A 17 4.874 -11.929 -5.582 1.00 0.00 N ATOM 216 CA PRO A 17 5.584 -11.969 -6.850 1.00 0.00 C ATOM 217 C PRO A 17 6.089 -13.382 -7.150 1.00 0.00 C ATOM 218 O PRO A 17 6.744 -13.607 -8.167 1.00 0.00 O ATOM 219 CB PRO A 17 6.706 -10.955 -6.704 1.00 0.00 C ATOM 220 CG PRO A 17 6.869 -10.724 -5.211 1.00 0.00 C ATOM 221 CD PRO A 17 5.650 -11.305 -4.514 1.00 0.00 C ATOM 0 HA PRO A 17 4.947 -11.718 -7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.630 -11.329 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.462 -10.026 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.780 -11.201 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.960 -9.659 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.937 -12.034 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.075 -10.529 -4.009 1.00 0.00 H new ATOM 229 N ASP A 18 5.766 -14.296 -6.247 1.00 0.00 N ATOM 230 CA ASP A 18 6.179 -15.680 -6.403 1.00 0.00 C ATOM 231 C ASP A 18 4.974 -16.523 -6.829 1.00 0.00 C ATOM 232 O ASP A 18 5.124 -17.689 -7.188 1.00 0.00 O ATOM 233 CB ASP A 18 6.711 -16.248 -5.086 1.00 0.00 C ATOM 234 CG ASP A 18 8.165 -15.895 -4.770 1.00 0.00 C ATOM 235 OD1 ASP A 18 9.042 -16.382 -5.516 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.368 -15.145 -3.790 1.00 0.00 O ATOM 0 H ASP A 18 5.223 -14.105 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 18 6.967 -15.714 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.081 -15.889 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.613 -17.333 -5.110 1.00 0.00 H new ATOM 241 N GLY A 19 3.807 -15.898 -6.774 1.00 0.00 N ATOM 242 CA GLY A 19 2.577 -16.576 -7.149 1.00 0.00 C ATOM 243 C GLY A 19 1.641 -16.718 -5.948 1.00 0.00 C ATOM 244 O GLY A 19 0.421 -16.696 -6.101 1.00 0.00 O ATOM 0 H GLY A 19 3.687 -14.930 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.077 -16.018 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.809 -17.562 -7.552 1.00 0.00 H new ATOM 248 N LYS A 20 2.248 -16.860 -4.778 1.00 0.00 N ATOM 249 CA LYS A 20 1.483 -17.006 -3.551 1.00 0.00 C ATOM 250 C LYS A 20 0.480 -15.856 -3.441 1.00 0.00 C ATOM 251 O LYS A 20 0.643 -14.821 -4.085 1.00 0.00 O ATOM 252 CB LYS A 20 2.420 -17.122 -2.347 1.00 0.00 C ATOM 253 CG LYS A 20 2.095 -18.366 -1.517 1.00 0.00 C ATOM 254 CD LYS A 20 2.100 -18.044 -0.022 1.00 0.00 C ATOM 255 CE LYS A 20 0.934 -18.732 0.691 1.00 0.00 C ATOM 256 NZ LYS A 20 0.949 -18.412 2.136 1.00 0.00 N ATOM 0 H LYS A 20 3.260 -16.877 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 20 0.907 -17.931 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.454 -17.169 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.330 -16.232 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.119 -18.755 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.825 -19.148 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.043 -18.367 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.033 -16.966 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.010 -18.410 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.000 -19.811 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.151 -18.887 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.842 -18.741 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.864 -17.384 2.265 1.00 0.00 H new ATOM 270 N GLN A 21 -0.536 -16.076 -2.620 1.00 0.00 N ATOM 271 CA GLN A 21 -1.566 -15.071 -2.417 1.00 0.00 C ATOM 272 C GLN A 21 -1.684 -14.724 -0.932 1.00 0.00 C ATOM 273 O GLN A 21 -1.452 -15.573 -0.072 1.00 0.00 O ATOM 274 CB GLN A 21 -2.909 -15.542 -2.979 1.00 0.00 C ATOM 275 CG GLN A 21 -2.733 -16.180 -4.358 1.00 0.00 C ATOM 276 CD GLN A 21 -3.960 -17.013 -4.737 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.055 -18.194 -4.444 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.890 -16.335 -5.403 1.00 0.00 N ATOM 0 H GLN A 21 -0.668 -16.936 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.279 -14.170 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.361 -16.262 -2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.594 -14.697 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.572 -15.402 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.845 -16.812 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.747 -15.348 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.746 -16.802 -5.701 1.00 0.00 H new ATOM 287 N VAL A 22 -2.044 -13.475 -0.675 1.00 0.00 N ATOM 288 CA VAL A 22 -2.195 -13.006 0.691 1.00 0.00 C ATOM 289 C VAL A 22 -3.435 -12.114 0.785 1.00 0.00 C ATOM 290 O VAL A 22 -3.981 -11.695 -0.234 1.00 0.00 O ATOM 291 CB VAL A 22 -0.916 -12.301 1.148 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.913 -12.098 2.664 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.326 -13.073 0.696 1.00 0.00 C ATOM 0 H VAL A 22 -2.235 -12.774 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.346 -13.847 1.368 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.890 -11.318 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.007 -11.595 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.769 -11.488 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.974 -13.066 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.222 -12.551 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.307 -14.075 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.335 -13.143 -0.392 1.00 0.00 H new ATOM 303 N ASP A 23 -3.842 -11.849 2.018 1.00 0.00 N ATOM 304 CA ASP A 23 -5.007 -11.015 2.258 1.00 0.00 C ATOM 305 C ASP A 23 -4.552 -9.648 2.774 1.00 0.00 C ATOM 306 O ASP A 23 -3.696 -9.566 3.653 1.00 0.00 O ATOM 307 CB ASP A 23 -5.923 -11.638 3.313 1.00 0.00 C ATOM 308 CG ASP A 23 -7.368 -11.866 2.863 1.00 0.00 C ATOM 309 OD1 ASP A 23 -8.027 -10.854 2.539 1.00 0.00 O ATOM 310 OD2 ASP A 23 -7.779 -13.046 2.852 1.00 0.00 O ATOM 0 H ASP A 23 -3.386 -12.197 2.861 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.552 -10.919 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.499 -12.594 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.930 -10.994 4.192 1.00 0.00 H new ATOM 315 N ALA A 24 -5.146 -8.609 2.206 1.00 0.00 N ATOM 316 CA ALA A 24 -4.813 -7.250 2.598 1.00 0.00 C ATOM 317 C ALA A 24 -6.089 -6.407 2.636 1.00 0.00 C ATOM 318 O ALA A 24 -7.176 -6.906 2.347 1.00 0.00 O ATOM 319 CB ALA A 24 -3.768 -6.682 1.635 1.00 0.00 C ATOM 0 H ALA A 24 -5.856 -8.681 1.477 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.378 -7.235 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.518 -5.663 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.870 -7.299 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.170 -6.679 0.622 1.00 0.00 H new ATOM 325 N GLU A 25 -5.915 -5.144 2.996 1.00 0.00 N ATOM 326 CA GLU A 25 -7.040 -4.227 3.076 1.00 0.00 C ATOM 327 C GLU A 25 -6.668 -2.877 2.461 1.00 0.00 C ATOM 328 O GLU A 25 -5.572 -2.367 2.689 1.00 0.00 O ATOM 329 CB GLU A 25 -7.509 -4.060 4.523 1.00 0.00 C ATOM 330 CG GLU A 25 -8.268 -5.301 4.999 1.00 0.00 C ATOM 331 CD GLU A 25 -8.480 -5.265 6.514 1.00 0.00 C ATOM 332 OE1 GLU A 25 -7.528 -5.643 7.230 1.00 0.00 O ATOM 333 OE2 GLU A 25 -9.590 -4.860 6.922 1.00 0.00 O ATOM 0 H GLU A 25 -5.012 -4.734 3.236 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.869 -4.648 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.649 -3.884 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.152 -3.183 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.232 -5.358 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.712 -6.198 4.727 1.00 0.00 H new ATOM 340 N SER A 26 -7.602 -2.335 1.693 1.00 0.00 N ATOM 341 CA SER A 26 -7.386 -1.053 1.043 1.00 0.00 C ATOM 342 C SER A 26 -7.206 0.043 2.095 1.00 0.00 C ATOM 343 O SER A 26 -8.013 0.163 3.016 1.00 0.00 O ATOM 344 CB SER A 26 -8.548 -0.707 0.109 1.00 0.00 C ATOM 345 OG SER A 26 -9.803 -0.742 0.782 1.00 0.00 O ATOM 0 H SER A 26 -8.510 -2.760 1.506 1.00 0.00 H new ATOM 0 HA SER A 26 -6.480 -1.122 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.391 0.286 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.564 -1.409 -0.725 1.00 0.00 H new ATOM 0 HG SER A 26 -10.504 -0.407 0.185 1.00 0.00 H new ATOM 351 N TRP A 27 -6.143 0.815 1.923 1.00 0.00 N ATOM 352 CA TRP A 27 -5.847 1.897 2.847 1.00 0.00 C ATOM 353 C TRP A 27 -5.752 1.305 4.254 1.00 0.00 C ATOM 354 O TRP A 27 -6.192 1.923 5.222 1.00 0.00 O ATOM 355 CB TRP A 27 -6.889 3.012 2.736 1.00 0.00 C ATOM 356 CG TRP A 27 -7.334 3.308 1.303 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.434 2.871 0.674 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.642 4.129 0.339 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.500 3.348 -0.619 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.376 4.138 -0.829 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.435 4.842 0.451 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.986 4.842 -1.974 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.059 5.540 -0.702 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.787 5.559 -1.886 1.00 0.00 C ATOM 0 H TRP A 27 -5.476 0.713 1.158 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.893 2.364 2.602 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.763 2.739 3.328 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.480 3.922 3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.175 2.227 1.123 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.238 3.156 -1.296 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.845 4.850 1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.578 4.833 -2.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.138 6.104 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.429 6.124 -2.734 1.00 0.00 H new ATOM 375 N LYS A 28 -5.174 0.114 4.323 1.00 0.00 N ATOM 376 CA LYS A 28 -5.016 -0.568 5.596 1.00 0.00 C ATOM 377 C LYS A 28 -3.655 -1.266 5.630 1.00 0.00 C ATOM 378 O LYS A 28 -2.846 -1.014 6.522 1.00 0.00 O ATOM 379 CB LYS A 28 -6.196 -1.508 5.850 1.00 0.00 C ATOM 380 CG LYS A 28 -7.221 -0.861 6.783 1.00 0.00 C ATOM 381 CD LYS A 28 -7.870 -1.906 7.694 1.00 0.00 C ATOM 382 CE LYS A 28 -8.386 -1.265 8.984 1.00 0.00 C ATOM 383 NZ LYS A 28 -8.686 -2.303 9.995 1.00 0.00 N ATOM 0 H LYS A 28 -4.810 -0.395 3.518 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.027 0.149 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.672 -1.765 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.836 -2.439 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.735 -0.097 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.989 -0.360 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.694 -2.389 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.145 -2.684 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.641 -0.572 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.284 -0.683 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.035 -1.851 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.413 -2.948 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.821 -2.841 10.208 1.00 0.00 H new ATOM 397 N THR A 29 -3.443 -2.129 4.647 1.00 0.00 N ATOM 398 CA THR A 29 -2.194 -2.865 4.553 1.00 0.00 C ATOM 399 C THR A 29 -1.339 -2.319 3.407 1.00 0.00 C ATOM 400 O THR A 29 -1.866 -1.775 2.439 1.00 0.00 O ATOM 401 CB THR A 29 -2.530 -4.350 4.406 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.216 -4.672 5.613 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.285 -5.238 4.438 1.00 0.00 C ATOM 0 H THR A 29 -4.116 -2.335 3.908 1.00 0.00 H new ATOM 0 HA THR A 29 -1.593 -2.741 5.454 1.00 0.00 H new ATOM 0 HB THR A 29 -3.066 -4.510 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.472 -5.618 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.580 -6.282 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.620 -4.962 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.767 -5.104 5.387 1.00 0.00 H new ATOM 411 N THR A 30 -0.033 -2.484 3.556 1.00 0.00 N ATOM 412 CA THR A 30 0.901 -2.015 2.546 1.00 0.00 C ATOM 413 C THR A 30 1.774 -3.170 2.050 1.00 0.00 C ATOM 414 O THR A 30 1.701 -4.279 2.576 1.00 0.00 O ATOM 415 CB THR A 30 1.704 -0.860 3.146 1.00 0.00 C ATOM 416 OG1 THR A 30 2.843 -1.492 3.723 1.00 0.00 O ATOM 417 CG2 THR A 30 0.996 -0.209 4.335 1.00 0.00 C ATOM 0 H THR A 30 0.401 -2.936 4.361 1.00 0.00 H new ATOM 0 HA THR A 30 0.378 -1.643 1.665 1.00 0.00 H new ATOM 0 HB THR A 30 1.887 -0.109 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.640 -0.948 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.609 0.604 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.032 0.185 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.842 -0.952 5.118 1.00 0.00 H new ATOM 425 N PRO A 31 2.601 -2.861 1.016 1.00 0.00 N ATOM 426 CA PRO A 31 3.487 -3.859 0.442 1.00 0.00 C ATOM 427 C PRO A 31 4.680 -4.127 1.362 1.00 0.00 C ATOM 428 O PRO A 31 5.328 -5.167 1.258 1.00 0.00 O ATOM 429 CB PRO A 31 3.894 -3.295 -0.909 1.00 0.00 C ATOM 430 CG PRO A 31 3.597 -1.806 -0.845 1.00 0.00 C ATOM 431 CD PRO A 31 2.714 -1.558 0.367 1.00 0.00 C ATOM 0 HA PRO A 31 3.006 -4.830 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.951 -3.474 -1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.335 -3.770 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.522 -1.235 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.096 -1.477 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.157 -0.820 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.736 -1.176 0.073 1.00 0.00 H new ATOM 439 N TYR A 32 4.935 -3.169 2.241 1.00 0.00 N ATOM 440 CA TYR A 32 6.039 -3.288 3.179 1.00 0.00 C ATOM 441 C TYR A 32 5.716 -4.298 4.281 1.00 0.00 C ATOM 442 O TYR A 32 6.596 -5.025 4.739 1.00 0.00 O ATOM 443 CB TYR A 32 6.209 -1.903 3.807 1.00 0.00 C ATOM 444 CG TYR A 32 7.605 -1.646 4.378 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.718 -1.802 3.576 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.752 -1.259 5.694 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.032 -1.560 4.113 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.066 -1.017 6.231 1.00 0.00 C ATOM 449 CZ TYR A 32 10.141 -1.180 5.414 1.00 0.00 C ATOM 450 OH TYR A 32 11.382 -0.952 5.922 1.00 0.00 O ATOM 0 H TYR A 32 4.396 -2.307 2.324 1.00 0.00 H new ATOM 0 HA TYR A 32 6.940 -3.630 2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.990 -1.145 3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.474 -1.784 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.603 -2.106 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.881 -1.138 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.911 -1.678 3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.195 -0.713 7.259 1.00 0.00 H new ATOM 0 HH TYR A 32 11.307 -0.686 6.862 1.00 0.00 H new ATOM 460 N GLN A 33 4.451 -4.312 4.675 1.00 0.00 N ATOM 461 CA GLN A 33 4.001 -5.221 5.715 1.00 0.00 C ATOM 462 C GLN A 33 3.900 -6.646 5.167 1.00 0.00 C ATOM 463 O GLN A 33 4.445 -7.581 5.753 1.00 0.00 O ATOM 464 CB GLN A 33 2.664 -4.765 6.302 1.00 0.00 C ATOM 465 CG GLN A 33 2.879 -3.803 7.473 1.00 0.00 C ATOM 466 CD GLN A 33 1.566 -3.129 7.877 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.744 -3.688 8.584 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.417 -1.900 7.391 1.00 0.00 N ATOM 0 H GLN A 33 3.723 -3.708 4.292 1.00 0.00 H new ATOM 0 HA GLN A 33 4.736 -5.212 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.071 -4.276 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.096 -5.632 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.290 -4.346 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.611 -3.045 7.196 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.145 -1.492 6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.575 -1.366 7.604 1.00 0.00 H new ATOM 477 N ILE A 34 3.200 -6.768 4.048 1.00 0.00 N ATOM 478 CA ILE A 34 3.022 -8.063 3.415 1.00 0.00 C ATOM 479 C ILE A 34 4.359 -8.806 3.397 1.00 0.00 C ATOM 480 O ILE A 34 4.424 -9.983 3.749 1.00 0.00 O ATOM 481 CB ILE A 34 2.391 -7.900 2.031 1.00 0.00 C ATOM 482 CG1 ILE A 34 0.995 -7.281 2.134 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.373 -9.231 1.275 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.010 -7.992 1.204 1.00 0.00 C ATOM 0 H ILE A 34 2.750 -5.991 3.564 1.00 0.00 H new ATOM 0 HA ILE A 34 2.325 -8.674 3.988 1.00 0.00 H new ATOM 0 HB ILE A 34 3.008 -7.211 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.640 -7.345 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.043 -6.223 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.919 -9.086 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.394 -9.594 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.793 -9.962 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.974 -7.533 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.355 -7.906 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.054 -9.045 1.478 1.00 0.00 H new ATOM 663 N ILE A 48 11.435 -0.770 -4.042 1.00 0.00 N ATOM 664 CA ILE A 48 10.143 -0.232 -4.431 1.00 0.00 C ATOM 665 C ILE A 48 9.204 -1.384 -4.794 1.00 0.00 C ATOM 666 O ILE A 48 9.554 -2.244 -5.601 1.00 0.00 O ATOM 667 CB ILE A 48 10.307 0.803 -5.546 1.00 0.00 C ATOM 668 CG1 ILE A 48 10.820 2.132 -4.989 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.005 0.974 -6.331 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.769 2.795 -4.096 1.00 0.00 C ATOM 0 HA ILE A 48 9.686 0.302 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 48 11.058 0.436 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.733 1.963 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.077 2.800 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.149 1.715 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.722 0.021 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.215 1.308 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.159 3.738 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.866 2.985 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.532 2.135 -3.262 1.00 0.00 H new ATOM 682 N ALA A 49 8.030 -1.364 -4.180 1.00 0.00 N ATOM 683 CA ALA A 49 7.038 -2.396 -4.429 1.00 0.00 C ATOM 684 C ALA A 49 6.130 -1.959 -5.580 1.00 0.00 C ATOM 685 O ALA A 49 5.701 -0.807 -5.634 1.00 0.00 O ATOM 686 CB ALA A 49 6.256 -2.674 -3.143 1.00 0.00 C ATOM 0 H ALA A 49 7.744 -0.650 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 49 7.520 -3.327 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.512 -3.448 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.942 -3.010 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.756 -1.762 -2.817 1.00 0.00 H new ATOM 692 N LYS A 50 5.864 -2.901 -6.473 1.00 0.00 N ATOM 693 CA LYS A 50 5.015 -2.627 -7.620 1.00 0.00 C ATOM 694 C LYS A 50 3.601 -3.136 -7.335 1.00 0.00 C ATOM 695 O LYS A 50 3.414 -4.305 -6.999 1.00 0.00 O ATOM 696 CB LYS A 50 5.633 -3.206 -8.894 1.00 0.00 C ATOM 697 CG LYS A 50 6.661 -2.244 -9.491 1.00 0.00 C ATOM 698 CD LYS A 50 7.146 -2.738 -10.856 1.00 0.00 C ATOM 699 CE LYS A 50 7.749 -1.592 -11.671 1.00 0.00 C ATOM 700 NZ LYS A 50 9.188 -1.831 -11.916 1.00 0.00 N ATOM 0 H LYS A 50 6.222 -3.855 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 50 4.939 -1.553 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.110 -4.160 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.849 -3.405 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.220 -1.253 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.509 -2.146 -8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.890 -3.523 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.314 -3.180 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.223 -1.498 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.616 -0.650 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.721 -0.956 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.529 -2.579 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.328 -2.127 -12.903 1.00 0.00 H new ATOM 714 N VAL A 51 2.641 -2.235 -7.480 1.00 0.00 N ATOM 715 CA VAL A 51 1.249 -2.578 -7.243 1.00 0.00 C ATOM 716 C VAL A 51 0.484 -2.531 -8.567 1.00 0.00 C ATOM 717 O VAL A 51 0.115 -1.456 -9.036 1.00 0.00 O ATOM 718 CB VAL A 51 0.657 -1.654 -6.176 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.861 -1.827 -6.084 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.320 -1.890 -4.818 1.00 0.00 C ATOM 0 H VAL A 51 2.800 -1.267 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 51 1.166 -3.594 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 51 0.860 -0.625 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.258 -1.160 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.314 -1.586 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.094 -2.859 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.881 -1.221 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.163 -2.924 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.389 -1.693 -4.896 1.00 0.00 H new ATOM 730 N ASN A 52 0.268 -3.710 -9.131 1.00 0.00 N ATOM 731 CA ASN A 52 -0.446 -3.817 -10.392 1.00 0.00 C ATOM 732 C ASN A 52 0.507 -3.489 -11.543 1.00 0.00 C ATOM 733 O ASN A 52 0.081 -2.990 -12.583 1.00 0.00 O ATOM 734 CB ASN A 52 -1.614 -2.830 -10.448 1.00 0.00 C ATOM 735 CG ASN A 52 -2.876 -3.504 -10.990 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.908 -4.025 -12.093 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.911 -3.464 -10.156 1.00 0.00 N ATOM 0 H ASN A 52 0.575 -4.600 -8.738 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.829 -4.834 -10.478 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.808 -2.434 -9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.349 -1.983 -11.081 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.800 -3.886 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.816 -3.012 -9.247 1.00 0.00 H new ATOM 744 N ASN A 53 1.779 -3.782 -11.317 1.00 0.00 N ATOM 745 CA ASN A 53 2.796 -3.524 -12.322 1.00 0.00 C ATOM 746 C ASN A 53 3.100 -2.025 -12.362 1.00 0.00 C ATOM 747 O ASN A 53 3.573 -1.510 -13.374 1.00 0.00 O ATOM 748 CB ASN A 53 2.316 -3.945 -13.713 1.00 0.00 C ATOM 749 CG ASN A 53 3.364 -4.810 -14.416 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.815 -5.822 -13.906 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.724 -4.355 -15.613 1.00 0.00 N ATOM 0 H ASN A 53 2.129 -4.196 -10.453 1.00 0.00 H new ATOM 0 HA ASN A 53 3.684 -4.098 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.381 -4.498 -13.627 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.108 -3.059 -14.313 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.418 -4.861 -16.163 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.306 -3.500 -15.980 1.00 0.00 H new ATOM 758 N VAL A 54 2.816 -1.367 -11.247 1.00 0.00 N ATOM 759 CA VAL A 54 3.053 0.063 -11.142 1.00 0.00 C ATOM 760 C VAL A 54 3.816 0.355 -9.848 1.00 0.00 C ATOM 761 O VAL A 54 3.528 -0.234 -8.807 1.00 0.00 O ATOM 762 CB VAL A 54 1.728 0.822 -11.238 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.672 -0.010 -11.970 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.233 1.240 -9.852 1.00 0.00 C ATOM 0 H VAL A 54 2.424 -1.797 -10.409 1.00 0.00 H new ATOM 0 HA VAL A 54 3.671 0.409 -11.970 1.00 0.00 H new ATOM 0 HB VAL A 54 1.902 1.728 -11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.260 0.552 -12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.020 -0.234 -12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.503 -0.941 -11.429 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.290 1.778 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.083 0.353 -9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.973 1.888 -9.381 1.00 0.00 H new ATOM 774 N VAL A 55 4.774 1.264 -9.956 1.00 0.00 N ATOM 775 CA VAL A 55 5.580 1.641 -8.807 1.00 0.00 C ATOM 776 C VAL A 55 4.659 2.027 -7.648 1.00 0.00 C ATOM 777 O VAL A 55 3.749 2.836 -7.817 1.00 0.00 O ATOM 778 CB VAL A 55 6.553 2.756 -9.195 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.155 3.415 -7.952 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.650 2.228 -10.121 1.00 0.00 C ATOM 0 H VAL A 55 5.010 1.750 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 55 6.187 0.800 -8.473 1.00 0.00 H new ATOM 0 HB VAL A 55 5.992 3.516 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.843 4.204 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.357 3.843 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.694 2.668 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.328 3.040 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.206 1.440 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.198 1.827 -11.028 1.00 0.00 H new ATOM 790 N TRP A 56 4.929 1.430 -6.496 1.00 0.00 N ATOM 791 CA TRP A 56 4.136 1.701 -5.309 1.00 0.00 C ATOM 792 C TRP A 56 5.097 1.925 -4.140 1.00 0.00 C ATOM 793 O TRP A 56 6.173 1.331 -4.094 1.00 0.00 O ATOM 794 CB TRP A 56 3.132 0.575 -5.051 1.00 0.00 C ATOM 795 CG TRP A 56 1.825 1.042 -4.407 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.522 1.097 -3.103 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.651 1.521 -5.096 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.242 1.574 -2.901 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.304 1.840 -4.152 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.403 1.679 -6.470 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.571 2.337 -4.480 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.868 2.176 -6.783 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.840 2.503 -5.844 1.00 0.00 C ATOM 0 H TRP A 56 5.686 0.760 -6.360 1.00 0.00 H new ATOM 0 HA TRP A 56 3.535 2.601 -5.443 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.904 0.082 -5.996 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.596 -0.171 -4.406 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.194 0.805 -2.310 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.218 1.707 -2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.135 1.436 -7.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.301 2.579 -3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.110 2.315 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.798 2.883 -6.165 1.00 0.00 H new ATOM 814 N ASP A 57 4.673 2.783 -3.224 1.00 0.00 N ATOM 815 CA ASP A 57 5.483 3.093 -2.058 1.00 0.00 C ATOM 816 C ASP A 57 5.224 2.048 -0.970 1.00 0.00 C ATOM 817 O ASP A 57 4.102 1.569 -0.820 1.00 0.00 O ATOM 818 CB ASP A 57 5.125 4.467 -1.488 1.00 0.00 C ATOM 819 CG ASP A 57 5.829 5.649 -2.157 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.980 5.925 -1.756 1.00 0.00 O ATOM 821 OD2 ASP A 57 5.200 6.249 -3.056 1.00 0.00 O ATOM 0 H ASP A 57 3.779 3.273 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 57 6.529 3.091 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.048 4.610 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.364 4.476 -0.425 1.00 0.00 H new ATOM 826 N LEU A 58 6.282 1.726 -0.240 1.00 0.00 N ATOM 827 CA LEU A 58 6.184 0.747 0.829 1.00 0.00 C ATOM 828 C LEU A 58 5.381 1.342 1.987 1.00 0.00 C ATOM 829 O LEU A 58 4.722 0.615 2.729 1.00 0.00 O ATOM 830 CB LEU A 58 7.574 0.254 1.233 1.00 0.00 C ATOM 831 CG LEU A 58 8.522 -0.097 0.084 1.00 0.00 C ATOM 832 CD1 LEU A 58 9.970 0.242 0.444 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.362 -1.562 -0.330 1.00 0.00 C ATOM 0 H LEU A 58 7.212 2.126 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 58 5.645 -0.137 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.046 1.022 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.456 -0.628 1.863 1.00 0.00 H new ATOM 0 HG LEU A 58 8.254 0.513 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.622 -0.017 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.053 1.309 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.267 -0.324 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.047 -1.786 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.588 -2.207 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.337 -1.738 -0.656 1.00 0.00 H new ATOM 845 N ASP A 59 5.464 2.659 2.108 1.00 0.00 N ATOM 846 CA ASP A 59 4.754 3.360 3.164 1.00 0.00 C ATOM 847 C ASP A 59 3.311 3.612 2.722 1.00 0.00 C ATOM 848 O ASP A 59 2.454 3.937 3.542 1.00 0.00 O ATOM 849 CB ASP A 59 5.401 4.715 3.458 1.00 0.00 C ATOM 850 CG ASP A 59 4.912 5.402 4.734 1.00 0.00 C ATOM 851 OD1 ASP A 59 3.759 5.885 4.712 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.701 5.430 5.703 1.00 0.00 O ATOM 0 H ASP A 59 6.012 3.259 1.492 1.00 0.00 H new ATOM 0 HA ASP A 59 4.788 2.742 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.480 4.578 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.218 5.379 2.613 1.00 0.00 H new ATOM 857 N ARG A 60 3.086 3.453 1.425 1.00 0.00 N ATOM 858 CA ARG A 60 1.762 3.660 0.865 1.00 0.00 C ATOM 859 C ARG A 60 1.001 2.334 0.799 1.00 0.00 C ATOM 860 O ARG A 60 1.485 1.364 0.219 1.00 0.00 O ATOM 861 CB ARG A 60 1.846 4.261 -0.540 1.00 0.00 C ATOM 862 CG ARG A 60 0.451 4.545 -1.099 1.00 0.00 C ATOM 863 CD ARG A 60 0.535 5.138 -2.507 1.00 0.00 C ATOM 864 NE ARG A 60 -0.521 6.159 -2.690 1.00 0.00 N ATOM 865 CZ ARG A 60 -0.499 7.373 -2.123 1.00 0.00 C ATOM 866 NH1 ARG A 60 0.525 7.726 -1.335 1.00 0.00 N ATOM 867 NH2 ARG A 60 -1.501 8.234 -2.345 1.00 0.00 N ATOM 0 H ARG A 60 3.799 3.183 0.747 1.00 0.00 H new ATOM 0 HA ARG A 60 1.232 4.356 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.425 5.184 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.374 3.575 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.130 3.623 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.075 5.236 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.516 5.586 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.422 4.349 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.315 5.924 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.288 7.071 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.542 8.650 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.281 7.965 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.484 9.158 -1.913 1.00 0.00 H new ATOM 881 N PRO A 61 -0.210 2.336 1.419 1.00 0.00 N ATOM 882 CA PRO A 61 -1.043 1.145 1.436 1.00 0.00 C ATOM 883 C PRO A 61 -1.701 0.916 0.074 1.00 0.00 C ATOM 884 O PRO A 61 -2.018 1.870 -0.634 1.00 0.00 O ATOM 885 CB PRO A 61 -2.050 1.386 2.550 1.00 0.00 C ATOM 886 CG PRO A 61 -2.041 2.885 2.802 1.00 0.00 C ATOM 887 CD PRO A 61 -0.816 3.466 2.116 1.00 0.00 C ATOM 0 HA PRO A 61 -0.473 0.235 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.043 1.045 2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.775 0.837 3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.950 3.343 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.013 3.092 3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.091 4.259 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.126 3.901 2.839 1.00 0.00 H new ATOM 895 N LEU A 62 -1.887 -0.355 -0.251 1.00 0.00 N ATOM 896 CA LEU A 62 -2.502 -0.721 -1.515 1.00 0.00 C ATOM 897 C LEU A 62 -3.828 0.027 -1.669 1.00 0.00 C ATOM 898 O LEU A 62 -4.241 0.757 -0.769 1.00 0.00 O ATOM 899 CB LEU A 62 -2.637 -2.241 -1.625 1.00 0.00 C ATOM 900 CG LEU A 62 -1.390 -3.053 -1.268 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.116 -2.276 -1.604 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.424 -3.494 0.196 1.00 0.00 C ATOM 0 H LEU A 62 -1.623 -1.144 0.339 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.867 -0.419 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.453 -2.561 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.926 -2.487 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.385 -3.958 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.756 -2.875 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.095 -2.055 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.099 -1.343 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.527 -4.069 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.465 -2.615 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.305 -4.112 0.369 1.00 0.00 H new ATOM 914 N GLU A 63 -4.459 -0.181 -2.816 1.00 0.00 N ATOM 915 CA GLU A 63 -5.729 0.465 -3.098 1.00 0.00 C ATOM 916 C GLU A 63 -6.835 -0.582 -3.248 1.00 0.00 C ATOM 917 O GLU A 63 -7.972 -0.352 -2.840 1.00 0.00 O ATOM 918 CB GLU A 63 -5.632 1.343 -4.348 1.00 0.00 C ATOM 919 CG GLU A 63 -5.365 2.802 -3.973 1.00 0.00 C ATOM 920 CD GLU A 63 -5.763 3.742 -5.113 1.00 0.00 C ATOM 921 OE1 GLU A 63 -5.247 3.528 -6.231 1.00 0.00 O ATOM 922 OE2 GLU A 63 -6.573 4.654 -4.840 1.00 0.00 O ATOM 0 H GLU A 63 -4.114 -0.788 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.980 1.113 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.833 0.977 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.558 1.274 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.924 3.058 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.308 2.934 -3.740 1.00 0.00 H new ATOM 929 N GLU A 64 -6.462 -1.710 -3.835 1.00 0.00 N ATOM 930 CA GLU A 64 -7.408 -2.793 -4.045 1.00 0.00 C ATOM 931 C GLU A 64 -6.697 -4.012 -4.635 1.00 0.00 C ATOM 932 O GLU A 64 -5.481 -3.995 -4.825 1.00 0.00 O ATOM 933 CB GLU A 64 -8.564 -2.345 -4.940 1.00 0.00 C ATOM 934 CG GLU A 64 -8.046 -1.783 -6.265 1.00 0.00 C ATOM 935 CD GLU A 64 -9.193 -1.229 -7.113 1.00 0.00 C ATOM 936 OE1 GLU A 64 -10.201 -1.957 -7.249 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.037 -0.091 -7.605 1.00 0.00 O ATOM 0 H GLU A 64 -5.518 -1.897 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.828 -3.075 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.227 -3.188 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.154 -1.587 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.320 -0.994 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.526 -2.566 -6.817 1.00 0.00 H new ATOM 944 N ASP A 65 -7.485 -5.041 -4.910 1.00 0.00 N ATOM 945 CA ASP A 65 -6.945 -6.266 -5.476 1.00 0.00 C ATOM 946 C ASP A 65 -5.890 -5.916 -6.527 1.00 0.00 C ATOM 947 O ASP A 65 -6.219 -5.402 -7.595 1.00 0.00 O ATOM 948 CB ASP A 65 -8.041 -7.086 -6.160 1.00 0.00 C ATOM 949 CG ASP A 65 -8.954 -6.291 -7.096 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.850 -5.600 -6.563 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.736 -6.391 -8.322 1.00 0.00 O ATOM 0 H ASP A 65 -8.493 -5.052 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.511 -6.850 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.572 -7.888 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.654 -7.557 -5.392 1.00 0.00 H new ATOM 956 N CYS A 66 -4.643 -6.210 -6.188 1.00 0.00 N ATOM 957 CA CYS A 66 -3.538 -5.933 -7.089 1.00 0.00 C ATOM 958 C CYS A 66 -2.421 -6.938 -6.802 1.00 0.00 C ATOM 959 O CYS A 66 -2.546 -7.773 -5.907 1.00 0.00 O ATOM 960 CB CYS A 66 -3.052 -4.488 -6.961 1.00 0.00 C ATOM 961 SG CYS A 66 -2.713 -4.094 -5.207 1.00 0.00 S ATOM 0 H CYS A 66 -4.374 -6.637 -5.302 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.870 -6.045 -8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.149 -4.345 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.805 -3.806 -7.356 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.836 -3.923 -4.576 1.00 0.00 H new ATOM 967 N THR A 67 -1.353 -6.825 -7.578 1.00 0.00 N ATOM 968 CA THR A 67 -0.214 -7.713 -7.419 1.00 0.00 C ATOM 969 C THR A 67 0.956 -6.970 -6.772 1.00 0.00 C ATOM 970 O THR A 67 1.168 -5.788 -7.038 1.00 0.00 O ATOM 971 CB THR A 67 0.123 -8.301 -8.790 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.076 -7.215 -9.692 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.893 -9.352 -9.243 1.00 0.00 C ATOM 0 H THR A 67 -1.252 -6.131 -8.319 1.00 0.00 H new ATOM 0 HA THR A 67 -0.447 -8.537 -6.745 1.00 0.00 H new ATOM 0 HB THR A 67 1.117 -8.747 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.122 -7.508 -10.606 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.607 -9.737 -10.222 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.915 -10.170 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.882 -8.898 -9.307 1.00 0.00 H new ATOM 981 N LEU A 68 1.685 -7.693 -5.935 1.00 0.00 N ATOM 982 CA LEU A 68 2.828 -7.116 -5.248 1.00 0.00 C ATOM 983 C LEU A 68 4.117 -7.686 -5.845 1.00 0.00 C ATOM 984 O LEU A 68 4.211 -8.886 -6.096 1.00 0.00 O ATOM 985 CB LEU A 68 2.706 -7.324 -3.737 1.00 0.00 C ATOM 986 CG LEU A 68 3.947 -6.979 -2.910 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.424 -5.555 -3.204 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.691 -7.201 -1.418 1.00 0.00 C ATOM 0 H LEU A 68 1.506 -8.673 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 68 2.857 -6.037 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.873 -6.723 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.450 -8.367 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 68 4.751 -7.655 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.307 -5.336 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.673 -5.466 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.632 -4.848 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.588 -6.948 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.867 -6.567 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.435 -8.246 -1.244 1.00 0.00 H new ATOM 1000 N GLU A 69 5.077 -6.798 -6.055 1.00 0.00 N ATOM 1001 CA GLU A 69 6.356 -7.197 -6.617 1.00 0.00 C ATOM 1002 C GLU A 69 7.483 -6.344 -6.032 1.00 0.00 C ATOM 1003 O GLU A 69 7.552 -5.142 -6.284 1.00 0.00 O ATOM 1004 CB GLU A 69 6.336 -7.105 -8.144 1.00 0.00 C ATOM 1005 CG GLU A 69 7.740 -7.287 -8.723 1.00 0.00 C ATOM 1006 CD GLU A 69 7.677 -7.703 -10.194 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.021 -8.731 -10.466 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.287 -6.982 -11.014 1.00 0.00 O ATOM 0 H GLU A 69 4.995 -5.803 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 69 6.539 -8.238 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.670 -7.867 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.936 -6.138 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.300 -6.356 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.278 -8.042 -8.150 1.00 0.00 H new ATOM 1015 N LEU A 70 8.338 -6.999 -5.261 1.00 0.00 N ATOM 1016 CA LEU A 70 9.459 -6.316 -4.637 1.00 0.00 C ATOM 1017 C LEU A 70 10.595 -6.176 -5.653 1.00 0.00 C ATOM 1018 O LEU A 70 10.930 -7.132 -6.350 1.00 0.00 O ATOM 1019 CB LEU A 70 9.871 -7.030 -3.348 1.00 0.00 C ATOM 1020 CG LEU A 70 8.799 -7.123 -2.261 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.760 -6.012 -2.418 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.156 -8.511 -2.243 1.00 0.00 C ATOM 0 H LEU A 70 8.277 -7.996 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 70 9.172 -5.308 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.191 -8.040 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.738 -6.516 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 70 9.280 -6.978 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.010 -6.102 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.251 -5.042 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.278 -6.100 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.397 -8.550 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.692 -8.710 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.920 -9.263 -2.046 1.00 0.00 H new ATOM 1034 N LEU A 71 11.156 -4.977 -5.704 1.00 0.00 N ATOM 1035 CA LEU A 71 12.247 -4.700 -6.622 1.00 0.00 C ATOM 1036 C LEU A 71 13.579 -4.990 -5.928 1.00 0.00 C ATOM 1037 O LEU A 71 13.671 -4.927 -4.703 1.00 0.00 O ATOM 1038 CB LEU A 71 12.136 -3.276 -7.171 1.00 0.00 C ATOM 1039 CG LEU A 71 11.323 -3.113 -8.457 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.203 -4.153 -8.532 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.789 -1.686 -8.591 1.00 0.00 C ATOM 0 H LEU A 71 10.875 -4.186 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 71 12.191 -5.357 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.691 -2.645 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.142 -2.898 -7.351 1.00 0.00 H new ATOM 0 HG LEU A 71 11.985 -3.290 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.640 -4.016 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.634 -5.154 -8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.536 -4.031 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.215 -1.597 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.147 -1.456 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.624 -0.986 -8.615 1.00 0.00 H new