USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 8 ASN :FLIP amide:sc= -1.94! C(o=-8.6!,f=-3.3!) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -1.32 F(o=-8.6!,f=-3.3) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.286) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.185 USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.153 (180deg=-0.843) USER MOD Single : A 25 TYR OH : rot 165:sc= -1.19 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 32 SER OG : rot -48:sc= 0.416 USER MOD Single : A 37 GLN :FLIP amide:sc= -7.87! C(o=-8.6!,f=-7.9!) USER MOD Single : A 40 TYR OH : rot 104:sc= 1.45 USER MOD Single : A 41 SER OG : rot 100:sc= -0.437 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -140:sc= -0.0107 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.981 F(o=-1.6,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 12.454 -3.811 10.373 1.00 0.00 N ATOM 63 CA ARG A 6 12.542 -2.927 11.576 1.00 0.00 C ATOM 64 C ARG A 6 11.863 -1.592 11.260 1.00 0.00 C ATOM 65 O ARG A 6 11.827 -1.160 10.125 1.00 0.00 O ATOM 66 CB ARG A 6 14.012 -2.690 11.941 1.00 0.00 C ATOM 67 CG ARG A 6 14.113 -1.699 13.138 1.00 0.00 C ATOM 68 CD ARG A 6 15.166 -2.172 14.168 1.00 0.00 C ATOM 69 NE ARG A 6 15.799 -0.990 14.845 1.00 0.00 N ATOM 70 CZ ARG A 6 16.434 -0.067 14.171 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.651 -0.214 12.893 1.00 0.00 N ATOM 72 NH2 ARG A 6 16.887 0.990 14.787 1.00 0.00 N ATOM 0 HA ARG A 6 12.043 -3.403 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.487 -3.636 12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.548 -2.289 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.379 -0.708 12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.141 -1.610 13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.695 -2.816 14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.931 -2.767 13.669 1.00 0.00 H new ATOM 0 HE ARG A 6 15.732 -0.905 15.859 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.325 -1.053 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.147 0.510 12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.745 1.095 15.792 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.383 1.712 14.264 1.00 0.00 H new ATOM 86 N ASP A 7 11.313 -0.942 12.248 1.00 0.00 N ATOM 87 CA ASP A 7 10.625 0.358 11.997 1.00 0.00 C ATOM 88 C ASP A 7 11.652 1.490 11.938 1.00 0.00 C ATOM 89 O ASP A 7 12.846 1.263 11.942 1.00 0.00 O ATOM 90 CB ASP A 7 9.629 0.635 13.122 1.00 0.00 C ATOM 91 CG ASP A 7 10.336 0.524 14.472 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.321 -0.192 14.548 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.880 1.158 15.406 1.00 0.00 O ATOM 0 H ASP A 7 11.310 -1.254 13.219 1.00 0.00 H new ATOM 0 HA ASP A 7 10.097 0.303 11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.201 1.631 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.803 -0.075 13.073 1.00 0.00 H new ATOM 98 N ASN A 8 11.191 2.714 11.875 1.00 0.00 N ATOM 99 CA ASN A 8 12.131 3.875 11.806 1.00 0.00 C ATOM 100 C ASN A 8 12.437 4.391 13.216 1.00 0.00 C ATOM 101 O ASN A 8 13.112 5.389 13.380 1.00 0.00 O ATOM 102 CB ASN A 8 11.487 4.998 10.990 1.00 0.00 C ATOM 103 CG ASN A 8 11.447 4.601 9.513 1.00 0.00 C ATOM 104 OD1 ASN A 8 10.863 5.391 8.654 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 11.953 3.563 9.136 1.00 0.00 N flip ATOM 0 H ASN A 8 10.201 2.960 11.868 1.00 0.00 H new ATOM 0 HA ASN A 8 13.059 3.554 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.477 5.192 11.352 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.053 5.921 11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.410 2.945 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.921 3.309 8.149 1.00 0.00 H new ATOM 112 N ARG A 9 11.950 3.727 14.234 1.00 0.00 N ATOM 113 CA ARG A 9 12.214 4.185 15.637 1.00 0.00 C ATOM 114 C ARG A 9 13.288 3.297 16.263 1.00 0.00 C ATOM 115 O ARG A 9 14.278 3.772 16.783 1.00 0.00 O ATOM 116 CB ARG A 9 10.928 4.079 16.470 1.00 0.00 C ATOM 117 CG ARG A 9 9.790 4.875 15.804 1.00 0.00 C ATOM 118 CD ARG A 9 9.852 6.351 16.230 1.00 0.00 C ATOM 119 NE ARG A 9 9.078 6.532 17.489 1.00 0.00 N ATOM 120 CZ ARG A 9 9.232 7.616 18.199 1.00 0.00 C ATOM 121 NH1 ARG A 9 10.070 8.537 17.809 1.00 0.00 N ATOM 122 NH2 ARG A 9 8.549 7.778 19.299 1.00 0.00 N ATOM 0 H ARG A 9 11.379 2.885 14.156 1.00 0.00 H new ATOM 0 HA ARG A 9 12.551 5.222 15.619 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.638 3.033 16.571 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.106 4.459 17.476 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.870 4.799 14.720 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.827 4.449 16.084 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.888 6.655 16.379 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.444 6.986 15.444 1.00 0.00 H new ATOM 0 HE ARG A 9 8.428 5.809 17.796 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.604 8.409 16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.191 9.385 18.364 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.895 7.057 19.604 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.669 8.625 19.854 1.00 0.00 H new ATOM 136 N GLY A 10 13.101 2.007 16.215 1.00 0.00 N ATOM 137 CA GLY A 10 14.111 1.077 16.805 1.00 0.00 C ATOM 138 C GLY A 10 13.421 -0.196 17.295 1.00 0.00 C ATOM 139 O GLY A 10 14.057 -1.105 17.791 1.00 0.00 O ATOM 0 H GLY A 10 12.291 1.554 15.792 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.867 0.828 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.627 1.564 17.633 1.00 0.00 H new ATOM 143 N ARG A 11 12.128 -0.277 17.155 1.00 0.00 N ATOM 144 CA ARG A 11 11.409 -1.496 17.605 1.00 0.00 C ATOM 145 C ARG A 11 11.576 -2.577 16.536 1.00 0.00 C ATOM 146 O ARG A 11 12.482 -2.513 15.729 1.00 0.00 O ATOM 147 CB ARG A 11 9.926 -1.162 17.800 1.00 0.00 C ATOM 148 CG ARG A 11 9.738 -0.422 19.133 1.00 0.00 C ATOM 149 CD ARG A 11 8.412 0.345 19.132 1.00 0.00 C ATOM 150 NE ARG A 11 8.383 1.270 17.960 1.00 0.00 N ATOM 151 CZ ARG A 11 7.285 1.904 17.651 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.223 1.774 18.397 1.00 0.00 N ATOM 153 NH2 ARG A 11 7.256 2.680 16.602 1.00 0.00 N ATOM 0 H ARG A 11 11.539 0.450 16.748 1.00 0.00 H new ATOM 0 HA ARG A 11 11.814 -1.855 18.551 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.570 -0.544 16.976 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.332 -2.076 17.793 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.753 -1.135 19.958 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.566 0.269 19.293 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.575 -0.351 19.082 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.303 0.909 20.059 1.00 0.00 H new ATOM 0 HE ARG A 11 9.224 1.407 17.399 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.250 1.176 19.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.365 2.270 18.154 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.090 2.790 16.026 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.399 3.177 16.358 1.00 0.00 H new ATOM 167 N ILE A 12 10.728 -3.575 16.527 1.00 0.00 N ATOM 168 CA ILE A 12 10.857 -4.671 15.511 1.00 0.00 C ATOM 169 C ILE A 12 9.496 -4.942 14.863 1.00 0.00 C ATOM 170 O ILE A 12 8.544 -5.301 15.526 1.00 0.00 O ATOM 171 CB ILE A 12 11.330 -5.952 16.213 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.732 -5.741 16.830 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.357 -7.113 15.212 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.844 -5.923 15.781 1.00 0.00 C ATOM 0 H ILE A 12 9.951 -3.680 17.179 1.00 0.00 H new ATOM 0 HA ILE A 12 11.573 -4.370 14.747 1.00 0.00 H new ATOM 0 HB ILE A 12 10.634 -6.193 17.016 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.795 -4.741 17.259 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.881 -6.448 17.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.693 -8.020 15.715 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.356 -7.271 14.811 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.041 -6.875 14.397 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.816 -5.767 16.250 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.796 -6.932 15.371 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.709 -5.199 14.978 1.00 0.00 H new ATOM 186 N LEU A 13 9.402 -4.795 13.567 1.00 0.00 N ATOM 187 CA LEU A 13 8.107 -5.067 12.872 1.00 0.00 C ATOM 188 C LEU A 13 8.066 -6.545 12.480 1.00 0.00 C ATOM 189 O LEU A 13 9.063 -7.118 12.085 1.00 0.00 O ATOM 190 CB LEU A 13 8.003 -4.203 11.612 1.00 0.00 C ATOM 191 CG LEU A 13 8.127 -2.720 11.986 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.220 -1.884 10.706 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.903 -2.276 12.807 1.00 0.00 C ATOM 0 H LEU A 13 10.166 -4.498 12.959 1.00 0.00 H new ATOM 0 HA LEU A 13 7.275 -4.830 13.534 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.788 -4.476 10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.050 -4.383 11.114 1.00 0.00 H new ATOM 0 HG LEU A 13 9.025 -2.574 12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.308 -0.829 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.095 -2.191 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.323 -2.036 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.002 -1.222 13.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.998 -2.421 12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.842 -2.870 13.719 1.00 0.00 H new ATOM 205 N LYS A 14 6.927 -7.174 12.593 1.00 0.00 N ATOM 206 CA LYS A 14 6.833 -8.622 12.234 1.00 0.00 C ATOM 207 C LYS A 14 6.444 -8.765 10.761 1.00 0.00 C ATOM 208 O LYS A 14 6.472 -7.814 10.006 1.00 0.00 O ATOM 209 CB LYS A 14 5.766 -9.289 13.111 1.00 0.00 C ATOM 210 CG LYS A 14 6.287 -9.433 14.555 1.00 0.00 C ATOM 211 CD LYS A 14 7.088 -10.741 14.707 1.00 0.00 C ATOM 212 CE LYS A 14 8.092 -10.608 15.855 1.00 0.00 C ATOM 213 NZ LYS A 14 7.382 -10.167 17.089 1.00 0.00 N ATOM 0 H LYS A 14 6.058 -6.750 12.918 1.00 0.00 H new ATOM 0 HA LYS A 14 7.798 -9.101 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.852 -8.694 13.103 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.512 -10.269 12.707 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.918 -8.581 14.808 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.450 -9.428 15.253 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.410 -11.572 14.900 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.612 -10.966 13.778 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.589 -11.562 16.030 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.868 -9.889 15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.967 -10.381 17.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.208 -9.143 17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.475 -10.669 17.166 1.00 0.00 H new ATOM 227 N THR A 15 6.075 -9.947 10.346 1.00 0.00 N ATOM 228 CA THR A 15 5.676 -10.144 8.925 1.00 0.00 C ATOM 229 C THR A 15 4.316 -9.484 8.706 1.00 0.00 C ATOM 230 O THR A 15 3.657 -9.083 9.644 1.00 0.00 O ATOM 231 CB THR A 15 5.578 -11.641 8.618 1.00 0.00 C ATOM 232 OG1 THR A 15 6.809 -12.270 8.945 1.00 0.00 O ATOM 233 CG2 THR A 15 5.276 -11.851 7.129 1.00 0.00 C ATOM 0 H THR A 15 6.033 -10.783 10.929 1.00 0.00 H new ATOM 0 HA THR A 15 6.419 -9.697 8.264 1.00 0.00 H new ATOM 0 HB THR A 15 4.774 -12.077 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.748 -13.229 8.751 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.208 -12.918 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.330 -11.371 6.878 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.075 -11.414 6.530 1.00 0.00 H new ATOM 241 N GLY A 16 3.887 -9.358 7.483 1.00 0.00 N ATOM 242 CA GLY A 16 2.570 -8.711 7.232 1.00 0.00 C ATOM 243 C GLY A 16 2.690 -7.213 7.519 1.00 0.00 C ATOM 244 O GLY A 16 2.290 -6.384 6.724 1.00 0.00 O ATOM 0 H GLY A 16 4.387 -9.672 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.261 -8.873 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.804 -9.156 7.867 1.00 0.00 H new ATOM 248 N GLU A 17 3.237 -6.860 8.655 1.00 0.00 N ATOM 249 CA GLU A 17 3.389 -5.414 9.011 1.00 0.00 C ATOM 250 C GLU A 17 4.746 -4.907 8.507 1.00 0.00 C ATOM 251 O GLU A 17 5.746 -5.594 8.576 1.00 0.00 O ATOM 252 CB GLU A 17 3.286 -5.234 10.549 1.00 0.00 C ATOM 253 CG GLU A 17 3.573 -6.562 11.261 1.00 0.00 C ATOM 254 CD GLU A 17 2.332 -7.457 11.213 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.378 -7.077 10.554 1.00 0.00 O ATOM 256 OE2 GLU A 17 2.356 -8.505 11.837 1.00 0.00 O ATOM 0 H GLU A 17 3.587 -7.514 9.355 1.00 0.00 H new ATOM 0 HA GLU A 17 2.593 -4.837 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.994 -4.475 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.290 -4.879 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.414 -7.066 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.858 -6.375 12.296 1.00 0.00 H new ATOM 263 N SER A 18 4.782 -3.702 8.000 1.00 0.00 N ATOM 264 CA SER A 18 6.064 -3.134 7.490 1.00 0.00 C ATOM 265 C SER A 18 5.982 -1.605 7.515 1.00 0.00 C ATOM 266 O SER A 18 5.561 -1.013 8.489 1.00 0.00 O ATOM 267 CB SER A 18 6.297 -3.606 6.055 1.00 0.00 C ATOM 268 OG SER A 18 5.274 -3.086 5.217 1.00 0.00 O ATOM 0 H SER A 18 3.974 -3.085 7.917 1.00 0.00 H new ATOM 0 HA SER A 18 6.888 -3.469 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.274 -3.273 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.298 -4.695 6.014 1.00 0.00 H new ATOM 0 HG SER A 18 5.422 -3.386 4.296 1.00 0.00 H new ATOM 274 N GLN A 19 6.382 -0.961 6.452 1.00 0.00 N ATOM 275 CA GLN A 19 6.326 0.529 6.416 1.00 0.00 C ATOM 276 C GLN A 19 6.353 1.006 4.960 1.00 0.00 C ATOM 277 O GLN A 19 7.028 0.437 4.125 1.00 0.00 O ATOM 278 CB GLN A 19 7.523 1.097 7.181 1.00 0.00 C ATOM 279 CG GLN A 19 7.379 2.613 7.327 1.00 0.00 C ATOM 280 CD GLN A 19 8.685 3.194 7.869 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.136 2.786 9.024 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 9.303 4.027 7.237 1.00 0.00 N flip ATOM 0 H GLN A 19 6.745 -1.402 5.607 1.00 0.00 H new ATOM 0 HA GLN A 19 5.405 0.877 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.589 0.633 8.165 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.447 0.860 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.140 3.062 6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.555 2.849 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.952 4.347 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.173 4.407 7.609 1.00 0.00 H new ATOM 291 N ARG A 20 5.611 2.038 4.646 1.00 0.00 N ATOM 292 CA ARG A 20 5.580 2.541 3.240 1.00 0.00 C ATOM 293 C ARG A 20 6.747 3.510 3.001 1.00 0.00 C ATOM 294 O ARG A 20 7.780 3.424 3.636 1.00 0.00 O ATOM 295 CB ARG A 20 4.234 3.254 2.986 1.00 0.00 C ATOM 296 CG ARG A 20 3.800 3.068 1.521 1.00 0.00 C ATOM 297 CD ARG A 20 2.741 4.118 1.128 1.00 0.00 C ATOM 298 NE ARG A 20 3.394 5.214 0.357 1.00 0.00 N ATOM 299 CZ ARG A 20 2.664 6.041 -0.341 1.00 0.00 C ATOM 300 NH1 ARG A 20 1.367 5.905 -0.362 1.00 0.00 N ATOM 301 NH2 ARG A 20 3.231 7.001 -1.018 1.00 0.00 N ATOM 0 H ARG A 20 5.025 2.554 5.303 1.00 0.00 H new ATOM 0 HA ARG A 20 5.681 1.702 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.471 2.853 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.329 4.316 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.667 3.156 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.395 2.066 1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.957 3.654 0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.263 4.521 2.021 1.00 0.00 H new ATOM 0 HE ARG A 20 4.409 5.317 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.924 5.153 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.795 6.550 -0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.245 7.106 -1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.660 7.647 -1.563 1.00 0.00 H new ATOM 315 N LYS A 21 6.591 4.418 2.073 1.00 0.00 N ATOM 316 CA LYS A 21 7.687 5.389 1.760 1.00 0.00 C ATOM 317 C LYS A 21 7.481 6.700 2.525 1.00 0.00 C ATOM 318 O LYS A 21 8.413 7.445 2.750 1.00 0.00 O ATOM 319 CB LYS A 21 7.672 5.681 0.257 1.00 0.00 C ATOM 320 CG LYS A 21 7.956 4.386 -0.528 1.00 0.00 C ATOM 321 CD LYS A 21 7.322 4.465 -1.921 1.00 0.00 C ATOM 322 CE LYS A 21 7.913 5.643 -2.693 1.00 0.00 C ATOM 323 NZ LYS A 21 9.400 5.537 -2.702 1.00 0.00 N ATOM 0 H LYS A 21 5.746 4.531 1.513 1.00 0.00 H new ATOM 0 HA LYS A 21 8.642 4.955 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.704 6.089 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.421 6.435 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.032 4.234 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.557 3.528 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.499 3.537 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.242 4.581 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.532 5.650 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.608 6.583 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.770 5.922 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.791 6.077 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.677 4.539 -2.614 1.00 0.00 H new ATOM 337 N ASP A 22 6.274 6.996 2.917 1.00 0.00 N ATOM 338 CA ASP A 22 6.025 8.271 3.651 1.00 0.00 C ATOM 339 C ASP A 22 6.399 8.105 5.125 1.00 0.00 C ATOM 340 O ASP A 22 6.247 9.012 5.918 1.00 0.00 O ATOM 341 CB ASP A 22 4.548 8.644 3.535 1.00 0.00 C ATOM 342 CG ASP A 22 4.182 8.832 2.062 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.362 9.932 1.564 1.00 0.00 O ATOM 344 OD2 ASP A 22 3.729 7.875 1.456 1.00 0.00 O ATOM 0 H ASP A 22 5.451 6.414 2.763 1.00 0.00 H new ATOM 0 HA ASP A 22 6.636 9.062 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.929 7.863 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.349 9.561 4.090 1.00 0.00 H new ATOM 349 N GLY A 23 6.891 6.954 5.499 1.00 0.00 N ATOM 350 CA GLY A 23 7.281 6.728 6.923 1.00 0.00 C ATOM 351 C GLY A 23 6.099 6.136 7.689 1.00 0.00 C ATOM 352 O GLY A 23 6.254 5.590 8.763 1.00 0.00 O ATOM 0 H GLY A 23 7.040 6.158 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.135 6.053 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.590 7.668 7.380 1.00 0.00 H new ATOM 356 N ARG A 24 4.918 6.235 7.146 1.00 0.00 N ATOM 357 CA ARG A 24 3.732 5.673 7.848 1.00 0.00 C ATOM 358 C ARG A 24 3.831 4.148 7.861 1.00 0.00 C ATOM 359 O ARG A 24 4.464 3.550 7.014 1.00 0.00 O ATOM 360 CB ARG A 24 2.452 6.108 7.127 1.00 0.00 C ATOM 361 CG ARG A 24 2.331 5.389 5.776 1.00 0.00 C ATOM 362 CD ARG A 24 1.336 6.139 4.871 1.00 0.00 C ATOM 363 NE ARG A 24 0.365 6.901 5.707 1.00 0.00 N ATOM 364 CZ ARG A 24 -0.349 7.852 5.171 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.204 8.144 3.907 1.00 0.00 N ATOM 366 NH2 ARG A 24 -1.208 8.511 5.897 1.00 0.00 N ATOM 0 H ARG A 24 4.723 6.680 6.249 1.00 0.00 H new ATOM 0 HA ARG A 24 3.703 6.042 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.583 5.883 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.462 7.187 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.307 5.337 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.995 4.363 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.873 6.820 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.805 5.431 4.235 1.00 0.00 H new ATOM 0 HE ARG A 24 0.259 6.679 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.468 7.628 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.762 8.888 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.322 8.283 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.766 9.255 5.477 1.00 0.00 H new ATOM 380 N TYR A 25 3.209 3.514 8.813 1.00 0.00 N ATOM 381 CA TYR A 25 3.269 2.029 8.873 1.00 0.00 C ATOM 382 C TYR A 25 2.363 1.447 7.784 1.00 0.00 C ATOM 383 O TYR A 25 1.422 2.081 7.344 1.00 0.00 O ATOM 384 CB TYR A 25 2.805 1.562 10.254 1.00 0.00 C ATOM 385 CG TYR A 25 3.821 1.999 11.288 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.099 1.426 11.296 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.488 2.979 12.232 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.042 1.832 12.249 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.432 3.385 13.183 1.00 0.00 C ATOM 390 CZ TYR A 25 5.710 2.811 13.191 1.00 0.00 C ATOM 391 OH TYR A 25 6.640 3.212 14.131 1.00 0.00 O ATOM 0 H TYR A 25 2.663 3.959 9.551 1.00 0.00 H new ATOM 0 HA TYR A 25 4.291 1.687 8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.827 1.984 10.485 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.696 0.478 10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.357 0.671 10.568 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.503 3.421 12.226 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.027 1.388 12.256 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.175 4.141 13.910 1.00 0.00 H new ATOM 0 HH TYR A 25 6.345 4.049 14.547 1.00 0.00 H new ATOM 401 N LEU A 26 2.643 0.247 7.342 1.00 0.00 N ATOM 402 CA LEU A 26 1.810 -0.385 6.268 1.00 0.00 C ATOM 403 C LEU A 26 1.596 -1.858 6.610 1.00 0.00 C ATOM 404 O LEU A 26 2.515 -2.564 6.971 1.00 0.00 O ATOM 405 CB LEU A 26 2.549 -0.264 4.921 1.00 0.00 C ATOM 406 CG LEU A 26 1.880 -1.136 3.840 1.00 0.00 C ATOM 407 CD1 LEU A 26 0.409 -0.747 3.679 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.601 -0.920 2.505 1.00 0.00 C ATOM 0 H LEU A 26 3.416 -0.327 7.679 1.00 0.00 H new ATOM 0 HA LEU A 26 0.845 0.116 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.556 0.777 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.589 -0.567 5.045 1.00 0.00 H new ATOM 0 HG LEU A 26 1.942 -2.182 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.051 -1.371 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.112 -0.893 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.340 0.300 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.133 -1.534 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.535 0.130 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.649 -1.203 2.607 1.00 0.00 H new ATOM 420 N TYR A 27 0.379 -2.322 6.491 1.00 0.00 N ATOM 421 CA TYR A 27 0.066 -3.749 6.794 1.00 0.00 C ATOM 422 C TYR A 27 -0.715 -4.341 5.622 1.00 0.00 C ATOM 423 O TYR A 27 -1.898 -4.100 5.457 1.00 0.00 O ATOM 424 CB TYR A 27 -0.771 -3.812 8.071 1.00 0.00 C ATOM 425 CG TYR A 27 -1.318 -5.207 8.272 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.440 -6.263 8.523 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.698 -5.442 8.216 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.935 -7.556 8.721 1.00 0.00 C ATOM 429 CE2 TYR A 27 -3.194 -6.737 8.413 1.00 0.00 C ATOM 430 CZ TYR A 27 -2.313 -7.794 8.666 1.00 0.00 C ATOM 431 OH TYR A 27 -2.802 -9.070 8.861 1.00 0.00 O ATOM 0 H TYR A 27 -0.421 -1.764 6.193 1.00 0.00 H new ATOM 0 HA TYR A 27 0.984 -4.319 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.161 -3.526 8.928 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.592 -3.097 8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.624 -6.081 8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.378 -4.626 8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.254 -8.371 8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.258 -6.920 8.370 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.779 -9.060 8.791 1.00 0.00 H new ATOM 441 N LYS A 28 -0.051 -5.115 4.806 1.00 0.00 N ATOM 442 CA LYS A 28 -0.726 -5.748 3.635 1.00 0.00 C ATOM 443 C LYS A 28 -1.138 -7.172 4.025 1.00 0.00 C ATOM 444 O LYS A 28 -0.380 -7.892 4.645 1.00 0.00 O ATOM 445 CB LYS A 28 0.256 -5.779 2.441 1.00 0.00 C ATOM 446 CG LYS A 28 -0.498 -5.566 1.115 1.00 0.00 C ATOM 447 CD LYS A 28 0.358 -6.060 -0.063 1.00 0.00 C ATOM 448 CE LYS A 28 -0.090 -5.385 -1.367 1.00 0.00 C ATOM 449 NZ LYS A 28 0.372 -6.198 -2.527 1.00 0.00 N ATOM 0 H LYS A 28 0.940 -5.338 4.901 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.611 -5.181 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.012 -5.004 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.780 -6.735 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.446 -6.103 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.733 -4.509 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.409 -5.841 0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.270 -7.142 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.176 -5.288 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.321 -4.377 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.070 -5.743 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.409 -6.268 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.040 -7.151 -2.469 1.00 0.00 H new ATOM 463 N TYR A 29 -2.318 -7.594 3.665 1.00 0.00 N ATOM 464 CA TYR A 29 -2.747 -8.980 4.017 1.00 0.00 C ATOM 465 C TYR A 29 -3.755 -9.482 2.981 1.00 0.00 C ATOM 466 O TYR A 29 -4.656 -8.775 2.574 1.00 0.00 O ATOM 467 CB TYR A 29 -3.351 -9.005 5.433 1.00 0.00 C ATOM 468 CG TYR A 29 -4.774 -8.490 5.431 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.827 -9.352 5.105 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.039 -7.158 5.773 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.146 -8.883 5.117 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.359 -6.689 5.784 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.412 -7.552 5.457 1.00 0.00 C ATOM 474 OH TYR A 29 -8.713 -7.092 5.470 1.00 0.00 O ATOM 0 H TYR A 29 -3.002 -7.044 3.145 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.881 -9.642 4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.331 -10.023 5.822 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.742 -8.396 6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.622 -10.380 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.227 -6.493 6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.958 -9.548 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.565 -5.661 6.045 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.723 -6.147 5.728 1.00 0.00 H new ATOM 484 N ILE A 30 -3.586 -10.697 2.539 1.00 0.00 N ATOM 485 CA ILE A 30 -4.503 -11.268 1.513 1.00 0.00 C ATOM 486 C ILE A 30 -5.802 -11.729 2.184 1.00 0.00 C ATOM 487 O ILE A 30 -5.785 -12.494 3.127 1.00 0.00 O ATOM 488 CB ILE A 30 -3.809 -12.464 0.837 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.312 -12.167 0.677 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.423 -12.729 -0.541 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.103 -10.851 -0.070 1.00 0.00 C ATOM 0 H ILE A 30 -2.844 -11.325 2.848 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.741 -10.512 0.765 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.946 -13.347 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.839 -12.114 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.830 -12.980 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.921 -13.578 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.484 -12.951 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.301 -11.847 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.035 -10.657 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.558 -10.918 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.567 -10.038 0.489 1.00 0.00 H new ATOM 503 N ASP A 31 -6.927 -11.270 1.705 1.00 0.00 N ATOM 504 CA ASP A 31 -8.221 -11.687 2.320 1.00 0.00 C ATOM 505 C ASP A 31 -8.611 -13.071 1.799 1.00 0.00 C ATOM 506 O ASP A 31 -7.929 -13.652 0.979 1.00 0.00 O ATOM 507 CB ASP A 31 -9.314 -10.681 1.949 1.00 0.00 C ATOM 508 CG ASP A 31 -8.787 -9.262 2.149 1.00 0.00 C ATOM 509 OD1 ASP A 31 -7.651 -9.130 2.565 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.530 -8.332 1.881 1.00 0.00 O ATOM 0 H ASP A 31 -7.006 -10.627 0.917 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.110 -11.721 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.619 -10.825 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.197 -10.843 2.567 1.00 0.00 H new ATOM 515 N SER A 32 -9.705 -13.605 2.273 1.00 0.00 N ATOM 516 CA SER A 32 -10.143 -14.954 1.814 1.00 0.00 C ATOM 517 C SER A 32 -10.735 -14.856 0.406 1.00 0.00 C ATOM 518 O SER A 32 -11.343 -15.786 -0.086 1.00 0.00 O ATOM 519 CB SER A 32 -11.205 -15.491 2.772 1.00 0.00 C ATOM 520 OG SER A 32 -11.426 -16.870 2.506 1.00 0.00 O ATOM 0 H SER A 32 -10.316 -13.163 2.960 1.00 0.00 H new ATOM 0 HA SER A 32 -9.285 -15.626 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.882 -15.356 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.134 -14.933 2.653 1.00 0.00 H new ATOM 0 HG SER A 32 -11.544 -17.002 1.542 1.00 0.00 H new ATOM 526 N PHE A 33 -10.562 -13.736 -0.248 1.00 0.00 N ATOM 527 CA PHE A 33 -11.110 -13.570 -1.629 1.00 0.00 C ATOM 528 C PHE A 33 -9.978 -13.774 -2.637 1.00 0.00 C ATOM 529 O PHE A 33 -10.192 -14.221 -3.747 1.00 0.00 O ATOM 530 CB PHE A 33 -11.677 -12.148 -1.770 1.00 0.00 C ATOM 531 CG PHE A 33 -13.103 -12.104 -1.264 1.00 0.00 C ATOM 532 CD1 PHE A 33 -14.153 -12.517 -2.094 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.374 -11.648 0.033 1.00 0.00 C ATOM 534 CE1 PHE A 33 -15.472 -12.475 -1.628 1.00 0.00 C ATOM 535 CE2 PHE A 33 -14.693 -11.608 0.498 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.742 -12.021 -0.331 1.00 0.00 C ATOM 0 H PHE A 33 -10.062 -12.925 0.117 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.900 -14.298 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.062 -11.445 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.644 -11.837 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.945 -12.868 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.565 -11.328 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -16.281 -12.793 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.902 -11.258 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.760 -11.990 0.029 1.00 0.00 H new ATOM 546 N GLY A 34 -8.775 -13.442 -2.255 1.00 0.00 N ATOM 547 CA GLY A 34 -7.606 -13.600 -3.174 1.00 0.00 C ATOM 548 C GLY A 34 -7.210 -12.228 -3.716 1.00 0.00 C ATOM 549 O GLY A 34 -6.780 -12.096 -4.844 1.00 0.00 O ATOM 0 H GLY A 34 -8.547 -13.064 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.768 -14.051 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.861 -14.270 -3.995 1.00 0.00 H new ATOM 553 N GLU A 35 -7.361 -11.202 -2.914 1.00 0.00 N ATOM 554 CA GLU A 35 -6.999 -9.820 -3.368 1.00 0.00 C ATOM 555 C GLU A 35 -6.316 -9.073 -2.202 1.00 0.00 C ATOM 556 O GLU A 35 -6.939 -8.826 -1.188 1.00 0.00 O ATOM 557 CB GLU A 35 -8.277 -9.068 -3.784 1.00 0.00 C ATOM 558 CG GLU A 35 -9.455 -9.560 -2.950 1.00 0.00 C ATOM 559 CD GLU A 35 -10.700 -8.734 -3.280 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.849 -7.667 -2.706 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.484 -9.182 -4.101 1.00 0.00 O ATOM 0 H GLU A 35 -7.720 -11.261 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.320 -9.874 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.142 -7.996 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.477 -9.228 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.642 -10.614 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.222 -9.476 -1.889 1.00 0.00 H new ATOM 568 N PRO A 36 -5.053 -8.709 -2.323 1.00 0.00 N ATOM 569 CA PRO A 36 -4.333 -7.985 -1.233 1.00 0.00 C ATOM 570 C PRO A 36 -5.191 -6.884 -0.597 1.00 0.00 C ATOM 571 O PRO A 36 -6.160 -6.429 -1.174 1.00 0.00 O ATOM 572 CB PRO A 36 -3.112 -7.397 -1.942 1.00 0.00 C ATOM 573 CG PRO A 36 -2.816 -8.359 -3.048 1.00 0.00 C ATOM 574 CD PRO A 36 -4.168 -8.938 -3.486 1.00 0.00 C ATOM 0 HA PRO A 36 -4.074 -8.643 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.321 -6.400 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.266 -7.303 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.320 -7.856 -3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.146 -9.149 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.545 -8.438 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.089 -9.999 -3.724 1.00 0.00 H new ATOM 582 N GLN A 37 -4.848 -6.464 0.597 1.00 0.00 N ATOM 583 CA GLN A 37 -5.643 -5.402 1.294 1.00 0.00 C ATOM 584 C GLN A 37 -4.689 -4.388 1.939 1.00 0.00 C ATOM 585 O GLN A 37 -3.789 -4.749 2.666 1.00 0.00 O ATOM 586 CB GLN A 37 -6.505 -6.073 2.371 1.00 0.00 C ATOM 587 CG GLN A 37 -7.726 -5.208 2.695 1.00 0.00 C ATOM 588 CD GLN A 37 -7.283 -3.785 3.029 1.00 0.00 C ATOM 589 OE1 GLN A 37 -7.284 -2.884 2.090 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -6.936 -3.491 4.155 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.046 -6.813 1.122 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.281 -4.877 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.829 -7.055 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.914 -6.230 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.409 -5.195 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.272 -5.635 3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.936 -4.199 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.645 -2.537 4.366 1.00 0.00 H new ATOM 599 N PHE A 38 -4.879 -3.122 1.670 1.00 0.00 N ATOM 600 CA PHE A 38 -3.980 -2.075 2.254 1.00 0.00 C ATOM 601 C PHE A 38 -4.593 -1.453 3.517 1.00 0.00 C ATOM 602 O PHE A 38 -5.706 -0.966 3.510 1.00 0.00 O ATOM 603 CB PHE A 38 -3.763 -0.958 1.210 1.00 0.00 C ATOM 604 CG PHE A 38 -2.538 -1.248 0.374 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.599 -2.193 -0.648 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.346 -0.559 0.624 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.469 -2.451 -1.422 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.212 -0.820 -0.150 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.274 -1.767 -1.175 1.00 0.00 C ATOM 0 H PHE A 38 -5.621 -2.764 1.068 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.035 -2.548 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.639 -0.878 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.648 0.002 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.520 -2.724 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.302 0.175 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.516 -3.182 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.709 -0.291 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.600 -1.971 -1.776 1.00 0.00 H new ATOM 619 N VAL A 39 -3.832 -1.420 4.583 1.00 0.00 N ATOM 620 CA VAL A 39 -4.295 -0.778 5.852 1.00 0.00 C ATOM 621 C VAL A 39 -3.206 0.220 6.265 1.00 0.00 C ATOM 622 O VAL A 39 -2.076 -0.156 6.504 1.00 0.00 O ATOM 623 CB VAL A 39 -4.480 -1.834 6.944 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.814 -1.144 8.268 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.623 -2.781 6.556 1.00 0.00 C ATOM 0 H VAL A 39 -2.894 -1.818 4.628 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.253 -0.278 5.709 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.559 -2.407 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.946 -1.895 9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.000 -0.474 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.734 -0.571 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.753 -3.532 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.545 -2.211 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.384 -3.273 5.613 1.00 0.00 H new ATOM 635 N TYR A 40 -3.522 1.493 6.306 1.00 0.00 N ATOM 636 CA TYR A 40 -2.483 2.520 6.654 1.00 0.00 C ATOM 637 C TYR A 40 -2.642 2.992 8.101 1.00 0.00 C ATOM 638 O TYR A 40 -3.731 3.071 8.631 1.00 0.00 O ATOM 639 CB TYR A 40 -2.649 3.734 5.736 1.00 0.00 C ATOM 640 CG TYR A 40 -2.242 3.381 4.324 1.00 0.00 C ATOM 641 CD1 TYR A 40 -0.888 3.231 4.003 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.218 3.218 3.332 1.00 0.00 C ATOM 643 CE1 TYR A 40 -0.509 2.917 2.692 1.00 0.00 C ATOM 644 CE2 TYR A 40 -2.838 2.906 2.022 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.485 2.757 1.700 1.00 0.00 C ATOM 646 OH TYR A 40 -1.112 2.452 0.405 1.00 0.00 O ATOM 0 H TYR A 40 -4.452 1.866 6.114 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.500 2.066 6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.686 4.070 5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.041 4.561 6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.135 3.357 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.263 3.333 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.536 2.798 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.591 2.780 1.258 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.294 1.506 0.226 1.00 0.00 H new ATOM 656 N SER A 41 -1.545 3.323 8.731 1.00 0.00 N ATOM 657 CA SER A 41 -1.600 3.812 10.137 1.00 0.00 C ATOM 658 C SER A 41 -0.308 4.583 10.443 1.00 0.00 C ATOM 659 O SER A 41 0.744 4.279 9.917 1.00 0.00 O ATOM 660 CB SER A 41 -1.742 2.611 11.081 1.00 0.00 C ATOM 661 OG SER A 41 -0.864 2.763 12.190 1.00 0.00 O ATOM 0 H SER A 41 -0.609 3.275 8.328 1.00 0.00 H new ATOM 0 HA SER A 41 -2.454 4.474 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.772 2.530 11.429 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.513 1.688 10.548 1.00 0.00 H new ATOM 0 HG SER A 41 -1.367 3.097 12.962 1.00 0.00 H new ATOM 667 N TRP A 42 -0.379 5.582 11.289 1.00 0.00 N ATOM 668 CA TRP A 42 0.841 6.377 11.631 1.00 0.00 C ATOM 669 C TRP A 42 1.362 5.926 12.998 1.00 0.00 C ATOM 670 O TRP A 42 2.553 5.867 13.236 1.00 0.00 O ATOM 671 CB TRP A 42 0.464 7.861 11.727 1.00 0.00 C ATOM 672 CG TRP A 42 0.328 8.477 10.371 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.845 8.847 9.806 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.372 8.831 9.414 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.590 9.407 8.567 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.761 9.417 8.279 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.774 8.699 9.417 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.512 9.861 7.190 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.534 9.144 8.319 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.903 9.725 7.209 1.00 0.00 C ATOM 0 H TRP A 42 -1.233 5.882 11.759 1.00 0.00 H new ATOM 0 HA TRP A 42 1.601 6.228 10.864 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.474 7.965 12.272 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.224 8.395 12.297 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.822 8.725 10.250 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.311 9.768 7.943 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.269 8.254 10.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.021 10.307 6.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.609 9.038 8.331 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.491 10.067 6.370 1.00 0.00 H new ATOM 691 N LYS A 43 0.469 5.638 13.905 1.00 0.00 N ATOM 692 CA LYS A 43 0.882 5.224 15.277 1.00 0.00 C ATOM 693 C LYS A 43 1.005 3.700 15.343 1.00 0.00 C ATOM 694 O LYS A 43 0.077 2.982 15.028 1.00 0.00 O ATOM 695 CB LYS A 43 -0.183 5.680 16.285 1.00 0.00 C ATOM 696 CG LYS A 43 -0.533 7.168 16.079 1.00 0.00 C ATOM 697 CD LYS A 43 -1.936 7.477 16.637 1.00 0.00 C ATOM 698 CE LYS A 43 -2.133 6.834 18.014 1.00 0.00 C ATOM 699 NZ LYS A 43 -3.186 7.580 18.759 1.00 0.00 N ATOM 0 H LYS A 43 -0.539 5.672 13.753 1.00 0.00 H new ATOM 0 HA LYS A 43 1.843 5.679 15.515 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.081 5.072 16.172 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.181 5.525 17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.208 7.794 16.576 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.496 7.412 15.017 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.072 8.556 16.713 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.695 7.108 15.947 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.422 5.789 17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.197 6.848 18.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.323 7.146 19.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.892 8.571 18.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.079 7.544 18.227 1.00 0.00 H new ATOM 713 N LEU A 44 2.134 3.198 15.765 1.00 0.00 N ATOM 714 CA LEU A 44 2.288 1.720 15.861 1.00 0.00 C ATOM 715 C LEU A 44 1.480 1.230 17.063 1.00 0.00 C ATOM 716 O LEU A 44 1.040 0.102 17.109 1.00 0.00 O ATOM 717 CB LEU A 44 3.768 1.359 16.042 1.00 0.00 C ATOM 718 CG LEU A 44 3.940 -0.168 16.119 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.443 -0.831 14.821 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.427 -0.498 16.330 1.00 0.00 C ATOM 0 H LEU A 44 2.950 3.743 16.045 1.00 0.00 H new ATOM 0 HA LEU A 44 1.926 1.245 14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.350 1.756 15.210 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.154 1.821 16.951 1.00 0.00 H new ATOM 0 HG LEU A 44 3.352 -0.551 16.953 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.572 -1.911 14.892 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.388 -0.600 14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.017 -0.452 13.976 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.555 -1.579 16.385 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.009 -0.106 15.496 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.772 -0.044 17.259 1.00 0.00 H new ATOM 732 N VAL A 45 1.266 2.083 18.030 1.00 0.00 N ATOM 733 CA VAL A 45 0.469 1.683 19.230 1.00 0.00 C ATOM 734 C VAL A 45 -0.388 2.873 19.656 1.00 0.00 C ATOM 735 O VAL A 45 -0.056 4.014 19.403 1.00 0.00 O ATOM 736 CB VAL A 45 1.415 1.241 20.362 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.626 0.532 19.753 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.892 2.455 21.175 1.00 0.00 C ATOM 0 H VAL A 45 1.610 3.043 18.041 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.181 0.840 18.996 1.00 0.00 H new ATOM 0 HB VAL A 45 0.878 0.565 21.028 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.301 0.216 20.549 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.292 -0.341 19.192 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.149 1.215 19.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.559 2.121 21.970 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.424 3.145 20.520 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.031 2.961 21.612 1.00 0.00 H new ATOM 748 N ALA A 46 -1.502 2.615 20.271 1.00 0.00 N ATOM 749 CA ALA A 46 -2.389 3.732 20.675 1.00 0.00 C ATOM 750 C ALA A 46 -1.747 4.512 21.819 1.00 0.00 C ATOM 751 O ALA A 46 -2.239 4.543 22.929 1.00 0.00 O ATOM 752 CB ALA A 46 -3.754 3.165 21.081 1.00 0.00 C ATOM 0 H ALA A 46 -1.836 1.682 20.511 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.533 4.420 19.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.413 3.981 21.380 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.193 2.635 20.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.628 2.476 21.916 1.00 0.00 H new ATOM 758 N THR A 47 -0.650 5.158 21.533 1.00 0.00 N ATOM 759 CA THR A 47 0.053 5.966 22.564 1.00 0.00 C ATOM 760 C THR A 47 0.805 7.101 21.865 1.00 0.00 C ATOM 761 O THR A 47 0.911 8.200 22.371 1.00 0.00 O ATOM 762 CB THR A 47 1.045 5.087 23.326 1.00 0.00 C ATOM 763 OG1 THR A 47 0.391 3.902 23.759 1.00 0.00 O ATOM 764 CG2 THR A 47 1.571 5.853 24.536 1.00 0.00 C ATOM 0 H THR A 47 -0.206 5.159 20.615 1.00 0.00 H new ATOM 0 HA THR A 47 -0.670 6.374 23.270 1.00 0.00 H new ATOM 0 HB THR A 47 1.877 4.822 22.673 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.026 3.337 24.246 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.279 5.229 25.082 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.071 6.762 24.202 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.739 6.116 25.190 1.00 0.00 H new ATOM 772 N ASP A 48 1.322 6.832 20.699 1.00 0.00 N ATOM 773 CA ASP A 48 2.069 7.872 19.940 1.00 0.00 C ATOM 774 C ASP A 48 1.094 8.954 19.455 1.00 0.00 C ATOM 775 O ASP A 48 -0.040 9.023 19.887 1.00 0.00 O ATOM 776 CB ASP A 48 2.751 7.201 18.738 1.00 0.00 C ATOM 777 CG ASP A 48 4.079 6.574 19.175 1.00 0.00 C ATOM 778 OD1 ASP A 48 4.180 6.194 20.329 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.971 6.487 18.347 1.00 0.00 O ATOM 0 H ASP A 48 1.258 5.926 20.235 1.00 0.00 H new ATOM 0 HA ASP A 48 2.820 8.339 20.578 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.098 6.436 18.319 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.927 7.935 17.952 1.00 0.00 H new ATOM 784 N ARG A 49 1.535 9.796 18.551 1.00 0.00 N ATOM 785 CA ARG A 49 0.655 10.881 18.008 1.00 0.00 C ATOM 786 C ARG A 49 0.761 10.869 16.481 1.00 0.00 C ATOM 787 O ARG A 49 1.074 9.857 15.893 1.00 0.00 O ATOM 788 CB ARG A 49 1.120 12.240 18.551 1.00 0.00 C ATOM 789 CG ARG A 49 0.903 12.306 20.075 1.00 0.00 C ATOM 790 CD ARG A 49 -0.538 12.732 20.388 1.00 0.00 C ATOM 791 NE ARG A 49 -0.702 12.881 21.862 1.00 0.00 N ATOM 792 CZ ARG A 49 -1.737 13.514 22.343 1.00 0.00 C ATOM 793 NH1 ARG A 49 -2.625 14.025 21.533 1.00 0.00 N ATOM 794 NH2 ARG A 49 -1.884 13.638 23.634 1.00 0.00 N ATOM 0 H ARG A 49 2.478 9.778 18.162 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.379 10.716 18.312 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.174 12.391 18.320 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.568 13.043 18.063 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.107 11.333 20.521 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.604 13.013 20.519 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.767 13.673 19.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.239 11.990 20.006 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.005 12.488 22.495 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.510 13.929 20.524 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.434 14.520 21.909 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.190 13.240 24.267 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.693 14.133 24.010 1.00 0.00 H new ATOM 808 N VAL A 50 0.507 11.978 15.829 1.00 0.00 N ATOM 809 CA VAL A 50 0.597 12.001 14.334 1.00 0.00 C ATOM 810 C VAL A 50 0.839 13.443 13.845 1.00 0.00 C ATOM 811 O VAL A 50 0.168 14.358 14.282 1.00 0.00 O ATOM 812 CB VAL A 50 -0.725 11.508 13.727 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.941 10.035 14.071 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.892 12.334 14.279 1.00 0.00 C ATOM 0 H VAL A 50 0.243 12.863 16.263 1.00 0.00 H new ATOM 0 HA VAL A 50 1.420 11.356 14.026 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.678 11.623 12.644 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.881 9.694 13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.119 9.443 13.668 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.978 9.916 15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.827 11.979 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.932 12.228 15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.748 13.384 14.023 1.00 0.00 H new ATOM 824 N PRO A 51 1.771 13.660 12.934 1.00 0.00 N ATOM 825 CA PRO A 51 2.050 15.024 12.395 1.00 0.00 C ATOM 826 C PRO A 51 0.772 15.817 12.120 1.00 0.00 C ATOM 827 O PRO A 51 -0.157 15.329 11.509 1.00 0.00 O ATOM 828 CB PRO A 51 2.804 14.746 11.093 1.00 0.00 C ATOM 829 CG PRO A 51 3.526 13.459 11.333 1.00 0.00 C ATOM 830 CD PRO A 51 2.665 12.654 12.319 1.00 0.00 C ATOM 0 HA PRO A 51 2.611 15.634 13.103 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.118 14.663 10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.500 15.552 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.663 12.911 10.401 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.519 13.642 11.744 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.097 11.877 11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.280 12.157 13.070 1.00 0.00 H new ATOM 838 N ALA A 52 0.726 17.038 12.558 1.00 0.00 N ATOM 839 CA ALA A 52 -0.479 17.871 12.317 1.00 0.00 C ATOM 840 C ALA A 52 -0.826 17.840 10.823 1.00 0.00 C ATOM 841 O ALA A 52 0.043 17.747 9.978 1.00 0.00 O ATOM 842 CB ALA A 52 -0.175 19.304 12.756 1.00 0.00 C ATOM 0 H ALA A 52 1.475 17.498 13.076 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.327 17.486 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.051 19.930 12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.077 19.314 13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.665 19.691 12.179 1.00 0.00 H new ATOM 848 N GLY A 53 -2.089 17.916 10.492 1.00 0.00 N ATOM 849 CA GLY A 53 -2.496 17.892 9.052 1.00 0.00 C ATOM 850 C GLY A 53 -2.877 16.465 8.652 1.00 0.00 C ATOM 851 O GLY A 53 -3.567 16.246 7.675 1.00 0.00 O ATOM 0 H GLY A 53 -2.859 17.994 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.339 18.564 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.679 18.250 8.426 1.00 0.00 H new ATOM 855 N LYS A 54 -2.434 15.492 9.398 1.00 0.00 N ATOM 856 CA LYS A 54 -2.763 14.076 9.072 1.00 0.00 C ATOM 857 C LYS A 54 -4.096 13.701 9.731 1.00 0.00 C ATOM 858 O LYS A 54 -4.498 14.282 10.720 1.00 0.00 O ATOM 859 CB LYS A 54 -1.649 13.173 9.617 1.00 0.00 C ATOM 860 CG LYS A 54 -0.441 13.156 8.665 1.00 0.00 C ATOM 861 CD LYS A 54 -0.058 14.575 8.223 1.00 0.00 C ATOM 862 CE LYS A 54 1.233 14.512 7.404 1.00 0.00 C ATOM 863 NZ LYS A 54 1.591 15.878 6.928 1.00 0.00 N ATOM 0 H LYS A 54 -1.853 15.618 10.227 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.847 13.950 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.337 13.526 10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.028 12.160 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.408 12.686 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.674 12.551 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.860 15.013 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.080 15.216 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.041 14.104 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.104 13.842 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.469 15.833 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.823 16.251 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.731 16.505 7.746 1.00 0.00 H new ATOM 877 N ARG A 55 -4.780 12.726 9.192 1.00 0.00 N ATOM 878 CA ARG A 55 -6.081 12.306 9.786 1.00 0.00 C ATOM 879 C ARG A 55 -5.814 11.416 11.002 1.00 0.00 C ATOM 880 O ARG A 55 -4.925 10.587 10.993 1.00 0.00 O ATOM 881 CB ARG A 55 -6.880 11.506 8.749 1.00 0.00 C ATOM 882 CG ARG A 55 -7.144 12.364 7.497 1.00 0.00 C ATOM 883 CD ARG A 55 -8.399 13.221 7.696 1.00 0.00 C ATOM 884 NE ARG A 55 -9.563 12.340 8.002 1.00 0.00 N ATOM 885 CZ ARG A 55 -10.657 12.850 8.499 1.00 0.00 C ATOM 886 NH1 ARG A 55 -10.738 14.134 8.717 1.00 0.00 N ATOM 887 NH2 ARG A 55 -11.671 12.075 8.772 1.00 0.00 N ATOM 0 H ARG A 55 -4.492 12.203 8.365 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.646 13.188 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.330 10.606 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.826 11.181 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.285 13.005 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.269 11.720 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.243 13.930 8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.599 13.806 6.798 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.504 11.338 7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.946 14.739 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.593 14.532 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.608 11.072 8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.526 12.472 9.160 1.00 0.00 H new ATOM 901 N ASP A 56 -6.574 11.579 12.049 1.00 0.00 N ATOM 902 CA ASP A 56 -6.359 10.739 13.261 1.00 0.00 C ATOM 903 C ASP A 56 -6.770 9.298 12.959 1.00 0.00 C ATOM 904 O ASP A 56 -7.539 9.040 12.053 1.00 0.00 O ATOM 905 CB ASP A 56 -7.205 11.280 14.414 1.00 0.00 C ATOM 906 CG ASP A 56 -6.888 12.760 14.629 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.732 13.461 13.643 1.00 0.00 O ATOM 908 OD2 ASP A 56 -6.806 13.167 15.777 1.00 0.00 O ATOM 0 H ASP A 56 -7.334 12.256 12.118 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.306 10.766 13.541 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.265 11.153 14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.000 10.717 15.325 1.00 0.00 H new ATOM 913 N ALA A 57 -6.265 8.356 13.705 1.00 0.00 N ATOM 914 CA ALA A 57 -6.630 6.934 13.455 1.00 0.00 C ATOM 915 C ALA A 57 -6.129 6.083 14.617 1.00 0.00 C ATOM 916 O ALA A 57 -5.201 6.451 15.309 1.00 0.00 O ATOM 917 CB ALA A 57 -5.965 6.459 12.154 1.00 0.00 C ATOM 0 H ALA A 57 -5.616 8.509 14.477 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.712 6.840 13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.231 5.418 11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.310 7.075 11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.882 6.546 12.246 1.00 0.00 H new ATOM 923 N ILE A 58 -6.709 4.937 14.825 1.00 0.00 N ATOM 924 CA ILE A 58 -6.226 4.076 15.925 1.00 0.00 C ATOM 925 C ILE A 58 -4.880 3.512 15.501 1.00 0.00 C ATOM 926 O ILE A 58 -4.518 3.557 14.342 1.00 0.00 O ATOM 927 CB ILE A 58 -7.208 2.931 16.172 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.263 2.023 14.930 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.594 3.501 16.461 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.468 1.061 14.998 1.00 0.00 C ATOM 0 H ILE A 58 -7.490 4.565 14.284 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.137 4.651 16.847 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.876 2.345 17.029 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.333 2.635 14.031 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.339 1.449 14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.294 2.684 16.637 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.549 4.137 17.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.931 4.090 15.608 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.482 0.432 14.108 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.383 0.433 15.885 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.392 1.638 15.049 1.00 0.00 H new ATOM 942 N SER A 59 -4.128 2.997 16.414 1.00 0.00 N ATOM 943 CA SER A 59 -2.803 2.454 16.041 1.00 0.00 C ATOM 944 C SER A 59 -2.974 1.251 15.126 1.00 0.00 C ATOM 945 O SER A 59 -3.994 0.592 15.120 1.00 0.00 O ATOM 946 CB SER A 59 -2.064 2.046 17.307 1.00 0.00 C ATOM 947 OG SER A 59 -2.255 0.657 17.547 1.00 0.00 O ATOM 0 H SER A 59 -4.369 2.927 17.403 1.00 0.00 H new ATOM 0 HA SER A 59 -2.229 3.214 15.511 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.001 2.265 17.206 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.429 2.625 18.155 1.00 0.00 H new ATOM 0 HG SER A 59 -2.382 0.505 18.507 1.00 0.00 H new ATOM 953 N LEU A 60 -1.973 0.966 14.352 1.00 0.00 N ATOM 954 CA LEU A 60 -2.053 -0.189 13.431 1.00 0.00 C ATOM 955 C LEU A 60 -2.455 -1.438 14.226 1.00 0.00 C ATOM 956 O LEU A 60 -3.318 -2.190 13.826 1.00 0.00 O ATOM 957 CB LEU A 60 -0.677 -0.397 12.792 1.00 0.00 C ATOM 958 CG LEU A 60 -0.649 -1.688 11.965 1.00 0.00 C ATOM 959 CD1 LEU A 60 -1.860 -1.742 11.022 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.650 -1.727 11.143 1.00 0.00 C ATOM 0 H LEU A 60 -1.097 1.488 14.318 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.795 -0.007 12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.435 0.454 12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.087 -0.441 13.569 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.691 -2.547 12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.828 -2.664 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.779 -1.714 11.608 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.834 -0.886 10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.679 -2.642 10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.686 -0.864 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.507 -1.703 11.816 1.00 0.00 H new ATOM 972 N ARG A 61 -1.831 -1.662 15.353 1.00 0.00 N ATOM 973 CA ARG A 61 -2.174 -2.862 16.166 1.00 0.00 C ATOM 974 C ARG A 61 -3.672 -2.859 16.501 1.00 0.00 C ATOM 975 O ARG A 61 -4.272 -3.903 16.644 1.00 0.00 O ATOM 976 CB ARG A 61 -1.331 -2.867 17.461 1.00 0.00 C ATOM 977 CG ARG A 61 -0.083 -3.747 17.281 1.00 0.00 C ATOM 978 CD ARG A 61 0.802 -3.158 16.185 1.00 0.00 C ATOM 979 NE ARG A 61 2.067 -3.961 16.056 1.00 0.00 N ATOM 980 CZ ARG A 61 2.899 -4.109 17.055 1.00 0.00 C ATOM 981 NH1 ARG A 61 2.736 -3.435 18.162 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.927 -4.901 16.927 1.00 0.00 N ATOM 0 H ARG A 61 -1.101 -1.066 15.743 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.950 -3.763 15.594 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.033 -1.849 17.713 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.930 -3.239 18.292 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.471 -3.807 18.218 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.376 -4.764 17.019 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.266 -3.155 15.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.042 -2.121 16.419 1.00 0.00 H new ATOM 0 HE ARG A 61 2.283 -4.404 15.163 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.954 -2.786 18.254 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.390 -3.558 18.935 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.079 -5.401 16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.579 -5.020 17.703 1.00 0.00 H new ATOM 996 N GLU A 62 -4.297 -1.714 16.606 1.00 0.00 N ATOM 997 CA GLU A 62 -5.750 -1.722 16.904 1.00 0.00 C ATOM 998 C GLU A 62 -6.472 -2.143 15.626 1.00 0.00 C ATOM 999 O GLU A 62 -7.428 -2.896 15.655 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.185 -0.327 17.353 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.840 -0.127 18.832 1.00 0.00 C ATOM 1002 CD GLU A 62 -6.764 -0.987 19.694 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -7.959 -0.740 19.676 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.262 -1.879 20.358 1.00 0.00 O ATOM 0 H GLU A 62 -3.870 -0.794 16.500 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.990 -2.417 17.709 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.688 0.431 16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.257 -0.204 17.200 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.800 -0.398 19.013 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.947 0.924 19.102 1.00 0.00 H new ATOM 1011 N LYS A 63 -5.981 -1.708 14.496 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.592 -2.129 13.208 1.00 0.00 C ATOM 1013 C LYS A 63 -6.342 -3.629 13.062 1.00 0.00 C ATOM 1014 O LYS A 63 -7.249 -4.435 13.057 1.00 0.00 O ATOM 1015 CB LYS A 63 -5.903 -1.395 12.044 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.468 0.026 11.880 1.00 0.00 C ATOM 1017 CD LYS A 63 -7.705 0.005 10.978 1.00 0.00 C ATOM 1018 CE LYS A 63 -8.421 1.353 11.072 1.00 0.00 C ATOM 1019 NZ LYS A 63 -9.574 1.370 10.127 1.00 0.00 N ATOM 0 H LYS A 63 -5.182 -1.079 14.412 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.657 -1.898 13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.829 -1.345 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.045 -1.956 11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.728 0.436 12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.708 0.680 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.414 -0.194 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.377 -0.798 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.770 1.521 12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.730 2.161 10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.061 2.287 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.229 1.228 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.237 0.608 10.374 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.093 -3.989 12.959 1.00 0.00 N ATOM 1034 CA ILE A 64 -4.712 -5.420 12.825 1.00 0.00 C ATOM 1035 C ILE A 64 -5.436 -6.242 13.901 1.00 0.00 C ATOM 1036 O ILE A 64 -5.870 -7.351 13.661 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.174 -5.526 12.995 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.494 -5.290 11.635 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -2.755 -6.903 13.541 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -0.969 -5.233 11.793 1.00 0.00 C ATOM 0 H ILE A 64 -4.307 -3.339 12.962 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.998 -5.809 11.848 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.862 -4.769 13.714 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.763 -6.089 10.945 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.854 -4.358 11.200 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.671 -6.938 13.646 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.219 -7.065 14.514 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.078 -7.682 12.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.508 -5.065 10.819 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.703 -4.417 12.465 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.611 -6.176 12.207 1.00 0.00 H new ATOM 1052 N ALA A 65 -5.545 -5.714 15.087 1.00 0.00 N ATOM 1053 CA ALA A 65 -6.212 -6.472 16.182 1.00 0.00 C ATOM 1054 C ALA A 65 -7.598 -6.938 15.739 1.00 0.00 C ATOM 1055 O ALA A 65 -8.027 -8.026 16.066 1.00 0.00 O ATOM 1056 CB ALA A 65 -6.345 -5.584 17.422 1.00 0.00 C ATOM 0 H ALA A 65 -5.201 -4.789 15.346 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.604 -7.344 16.421 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.834 -6.144 18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.355 -5.270 17.753 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.941 -4.705 17.178 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.308 -6.136 15.003 1.00 0.00 N ATOM 1063 CA GLU A 66 -9.659 -6.571 14.562 1.00 0.00 C ATOM 1064 C GLU A 66 -9.505 -7.640 13.482 1.00 0.00 C ATOM 1065 O GLU A 66 -10.276 -8.573 13.394 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.424 -5.373 13.993 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.474 -4.256 15.038 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.340 -4.697 16.218 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.524 -4.909 16.012 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -10.805 -4.817 17.309 1.00 0.00 O ATOM 0 H GLU A 66 -8.018 -5.210 14.690 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.212 -6.977 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.938 -5.015 13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.435 -5.672 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.467 -4.020 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.881 -3.347 14.595 1.00 0.00 H new ATOM 1077 N LEU A 67 -8.512 -7.499 12.653 1.00 0.00 N ATOM 1078 CA LEU A 67 -8.290 -8.485 11.561 1.00 0.00 C ATOM 1079 C LEU A 67 -7.720 -9.803 12.107 1.00 0.00 C ATOM 1080 O LEU A 67 -7.902 -10.848 11.515 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.312 -7.889 10.545 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.659 -6.417 10.303 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.742 -5.845 9.218 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.119 -6.304 9.853 1.00 0.00 C ATOM 0 H LEU A 67 -7.837 -6.735 12.685 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.248 -8.701 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.290 -7.977 10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.362 -8.444 9.608 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.519 -5.855 11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.990 -4.798 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.704 -5.924 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.879 -6.406 8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.367 -5.257 9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.260 -6.867 8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.771 -6.708 10.628 1.00 0.00 H new ATOM 1096 N GLN A 68 -7.003 -9.773 13.204 1.00 0.00 N ATOM 1097 CA GLN A 68 -6.407 -11.045 13.725 1.00 0.00 C ATOM 1098 C GLN A 68 -7.442 -11.834 14.538 1.00 0.00 C ATOM 1099 O GLN A 68 -7.422 -13.049 14.560 1.00 0.00 O ATOM 1100 CB GLN A 68 -5.165 -10.732 14.591 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.548 -10.343 16.026 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.281 -9.933 16.783 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.325 -8.936 17.623 1.00 0.00 O flip ATOM 1104 NE2 GLN A 68 -3.236 -10.527 16.604 1.00 0.00 N flip ATOM 0 H GLN A 68 -6.806 -8.937 13.755 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.100 -11.658 12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.510 -11.603 14.614 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.599 -9.920 14.134 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.264 -9.521 16.016 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.032 -11.181 16.527 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.199 -11.307 15.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.396 -10.246 17.110 1.00 0.00 H new