USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= 0.606 K(o=-11,f=-20!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.8! C(o=-11!,f=-11!) USER MOD Set 1.3: A 85 SER OG : rot -106:sc= 1.21 USER MOD Set 2.1: A 31 THR OG1 : rot -170:sc= -0.0742 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=-0.074,f=-0.074) USER MOD Single : A 10 HIS : no HD1:sc=-0.000514 X(o=-0.00051,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -72:sc= 0.41 USER MOD Single : A 21 CYS SG : rot 24:sc= 0.656 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.442 USER MOD Single : A 38 MET CE :methyl -134:sc= -0.15 (180deg=-2.44) USER MOD Single : A 56 CYS SG : rot -160:sc= -0.223 USER MOD Single : A 69 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -9.571 -15.747 1.749 1.00 0.00 N ATOM 67 CA ARG A 8 -8.395 -15.288 1.029 1.00 0.00 C ATOM 68 C ARG A 8 -7.849 -14.008 1.665 1.00 0.00 C ATOM 69 O ARG A 8 -8.578 -13.288 2.345 1.00 0.00 O ATOM 70 CB ARG A 8 -8.720 -15.019 -0.442 1.00 0.00 C ATOM 71 CG ARG A 8 -9.097 -16.313 -1.166 1.00 0.00 C ATOM 72 CD ARG A 8 -10.544 -16.265 -1.658 1.00 0.00 C ATOM 73 NE ARG A 8 -10.574 -16.184 -3.136 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.149 -17.159 -3.950 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.660 -18.295 -3.437 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.214 -16.997 -5.279 1.00 0.00 N ATOM 0 HA ARG A 8 -7.643 -16.075 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.542 -14.306 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.859 -14.562 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.427 -16.469 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.966 -17.161 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.080 -17.153 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.055 -15.403 -1.228 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.941 -15.333 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.611 -18.418 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.337 -19.037 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.587 -16.132 -5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.891 -17.739 -5.900 1.00 0.00 H new ATOM 90 N PRO A 9 -6.535 -13.758 1.416 1.00 0.00 N ATOM 91 CA PRO A 9 -5.883 -12.578 1.957 1.00 0.00 C ATOM 92 C PRO A 9 -6.303 -11.320 1.193 1.00 0.00 C ATOM 93 O PRO A 9 -7.071 -11.399 0.236 1.00 0.00 O ATOM 94 CB PRO A 9 -4.394 -12.868 1.850 1.00 0.00 C ATOM 95 CG PRO A 9 -4.260 -13.990 0.834 1.00 0.00 C ATOM 96 CD PRO A 9 -5.640 -14.588 0.615 1.00 0.00 C ATOM 0 HA PRO A 9 -6.164 -12.379 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.846 -11.982 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.983 -13.164 2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.856 -13.609 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.567 -14.750 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.918 -14.567 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.675 -15.630 0.933 1.00 0.00 H new ATOM 104 N HIS A 10 -5.781 -10.190 1.646 1.00 0.00 N ATOM 105 CA HIS A 10 -6.092 -8.917 1.018 1.00 0.00 C ATOM 106 C HIS A 10 -4.844 -8.367 0.325 1.00 0.00 C ATOM 107 O HIS A 10 -3.909 -7.919 0.987 1.00 0.00 O ATOM 108 CB HIS A 10 -6.685 -7.940 2.034 1.00 0.00 C ATOM 109 CG HIS A 10 -8.035 -8.354 2.570 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.225 -7.993 1.964 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.369 -9.104 3.660 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.225 -8.506 2.666 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.692 -9.193 3.717 1.00 0.00 N ATOM 0 H HIS A 10 -5.144 -10.129 2.441 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.855 -9.062 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.991 -7.834 2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.776 -6.959 1.568 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.675 -9.549 4.357 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.277 -8.399 2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.223 -9.693 4.430 1.00 0.00 H new ATOM 121 N VAL A 11 -4.868 -8.421 -0.999 1.00 0.00 N ATOM 122 CA VAL A 11 -3.750 -7.933 -1.788 1.00 0.00 C ATOM 123 C VAL A 11 -3.886 -6.421 -1.978 1.00 0.00 C ATOM 124 O VAL A 11 -4.525 -5.966 -2.924 1.00 0.00 O ATOM 125 CB VAL A 11 -3.672 -8.698 -3.111 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.546 -8.153 -3.993 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.501 -10.198 -2.869 1.00 0.00 C ATOM 0 H VAL A 11 -5.644 -8.795 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.808 -8.111 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.614 -8.550 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.512 -8.714 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.729 -7.100 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.594 -8.256 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.448 -10.717 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.582 -10.374 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.350 -10.574 -2.299 1.00 0.00 H new ATOM 137 N VAL A 12 -3.273 -5.685 -1.063 1.00 0.00 N ATOM 138 CA VAL A 12 -3.317 -4.234 -1.117 1.00 0.00 C ATOM 139 C VAL A 12 -2.338 -3.738 -2.183 1.00 0.00 C ATOM 140 O VAL A 12 -1.166 -4.111 -2.176 1.00 0.00 O ATOM 141 CB VAL A 12 -3.038 -3.649 0.269 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.210 -2.129 0.267 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.930 -4.300 1.328 1.00 0.00 C ATOM 0 H VAL A 12 -2.743 -6.067 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.312 -3.893 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.001 -3.869 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.006 -1.738 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.515 -1.685 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.232 -1.879 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.712 -3.866 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.977 -4.125 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.738 -5.373 1.356 1.00 0.00 H new ATOM 153 N LYS A 13 -2.854 -2.904 -3.073 1.00 0.00 N ATOM 154 CA LYS A 13 -2.040 -2.353 -4.143 1.00 0.00 C ATOM 155 C LYS A 13 -1.583 -0.945 -3.757 1.00 0.00 C ATOM 156 O LYS A 13 -2.332 0.019 -3.910 1.00 0.00 O ATOM 157 CB LYS A 13 -2.792 -2.412 -5.474 1.00 0.00 C ATOM 158 CG LYS A 13 -3.217 -3.845 -5.801 1.00 0.00 C ATOM 159 CD LYS A 13 -3.670 -3.964 -7.257 1.00 0.00 C ATOM 160 CE LYS A 13 -2.469 -4.068 -8.199 1.00 0.00 C ATOM 161 NZ LYS A 13 -2.547 -5.306 -9.005 1.00 0.00 N ATOM 0 H LYS A 13 -3.826 -2.596 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.141 -2.953 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.671 -1.770 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.157 -2.026 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.385 -4.525 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.028 -4.148 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.305 -4.842 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.273 -3.097 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.440 -3.200 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.545 -4.061 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.724 -5.360 -9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.552 -6.132 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.420 -5.297 -9.571 1.00 0.00 H new ATOM 175 N VAL A 14 -0.355 -0.870 -3.264 1.00 0.00 N ATOM 176 CA VAL A 14 0.210 0.405 -2.855 1.00 0.00 C ATOM 177 C VAL A 14 1.079 0.959 -3.986 1.00 0.00 C ATOM 178 O VAL A 14 1.930 0.252 -4.524 1.00 0.00 O ATOM 179 CB VAL A 14 0.975 0.240 -1.540 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.889 1.439 -1.284 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.013 0.023 -0.370 1.00 0.00 C ATOM 0 H VAL A 14 0.264 -1.671 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.581 1.131 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 14 1.603 -0.647 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.421 1.297 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.608 1.528 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.290 2.348 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.582 -0.091 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.652 0.882 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.577 -0.876 -0.546 1.00 0.00 H new ATOM 191 N TYR A 15 0.833 2.219 -4.314 1.00 0.00 N ATOM 192 CA TYR A 15 1.582 2.876 -5.372 1.00 0.00 C ATOM 193 C TYR A 15 2.642 3.815 -4.791 1.00 0.00 C ATOM 194 O TYR A 15 2.393 4.501 -3.801 1.00 0.00 O ATOM 195 CB TYR A 15 0.563 3.702 -6.160 1.00 0.00 C ATOM 196 CG TYR A 15 -0.491 2.862 -6.885 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.624 2.448 -6.214 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.308 2.519 -8.209 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.616 1.658 -6.896 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.300 1.729 -8.891 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.405 1.337 -8.201 1.00 0.00 C ATOM 202 OH TYR A 15 -3.342 0.591 -8.845 1.00 0.00 O ATOM 0 H TYR A 15 0.126 2.802 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 15 2.094 2.141 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.060 4.387 -5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.093 4.312 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.766 2.717 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.579 2.843 -8.733 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.507 1.328 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.170 1.454 -9.927 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.060 0.439 -9.771 1.00 0.00 H new ATOM 212 N SER A 16 3.801 3.816 -5.433 1.00 0.00 N ATOM 213 CA SER A 16 4.899 4.659 -4.993 1.00 0.00 C ATOM 214 C SER A 16 4.847 6.007 -5.715 1.00 0.00 C ATOM 215 O SER A 16 4.434 6.079 -6.872 1.00 0.00 O ATOM 216 CB SER A 16 6.248 3.979 -5.236 1.00 0.00 C ATOM 217 OG SER A 16 6.576 3.925 -6.621 1.00 0.00 O ATOM 0 H SER A 16 4.003 3.246 -6.255 1.00 0.00 H new ATOM 0 HA SER A 16 4.794 4.824 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.028 4.519 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.223 2.968 -4.830 1.00 0.00 H new ATOM 0 HG SER A 16 6.002 3.268 -7.068 1.00 0.00 H new ATOM 223 N GLU A 17 5.270 7.041 -5.004 1.00 0.00 N ATOM 224 CA GLU A 17 5.277 8.382 -5.563 1.00 0.00 C ATOM 225 C GLU A 17 5.843 8.362 -6.984 1.00 0.00 C ATOM 226 O GLU A 17 5.345 9.061 -7.865 1.00 0.00 O ATOM 227 CB GLU A 17 6.065 9.344 -4.672 1.00 0.00 C ATOM 228 CG GLU A 17 5.187 9.893 -3.546 1.00 0.00 C ATOM 229 CD GLU A 17 5.482 11.373 -3.293 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.368 12.149 -4.266 1.00 0.00 O ATOM 231 OE2 GLU A 17 5.815 11.695 -2.132 1.00 0.00 O ATOM 0 H GLU A 17 5.611 6.977 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 17 4.249 8.741 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.927 8.829 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.450 10.168 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.136 9.767 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.361 9.323 -2.634 1.00 0.00 H new ATOM 238 N ASP A 18 6.877 7.553 -7.163 1.00 0.00 N ATOM 239 CA ASP A 18 7.516 7.432 -8.462 1.00 0.00 C ATOM 240 C ASP A 18 6.482 6.981 -9.495 1.00 0.00 C ATOM 241 O ASP A 18 6.413 7.533 -10.592 1.00 0.00 O ATOM 242 CB ASP A 18 8.638 6.392 -8.430 1.00 0.00 C ATOM 243 CG ASP A 18 10.046 6.963 -8.253 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.137 8.192 -8.040 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.999 6.159 -8.334 1.00 0.00 O ATOM 0 H ASP A 18 7.288 6.975 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 18 7.933 8.404 -8.724 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.441 5.693 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.609 5.820 -9.357 1.00 0.00 H new ATOM 250 N GLY A 19 5.703 5.981 -9.108 1.00 0.00 N ATOM 251 CA GLY A 19 4.676 5.449 -9.987 1.00 0.00 C ATOM 252 C GLY A 19 4.617 3.923 -9.901 1.00 0.00 C ATOM 253 O GLY A 19 3.580 3.321 -10.175 1.00 0.00 O ATOM 0 H GLY A 19 5.763 5.525 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.707 5.870 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.879 5.751 -11.014 1.00 0.00 H new ATOM 257 N ALA A 20 5.745 3.340 -9.520 1.00 0.00 N ATOM 258 CA ALA A 20 5.835 1.895 -9.395 1.00 0.00 C ATOM 259 C ALA A 20 4.742 1.400 -8.446 1.00 0.00 C ATOM 260 O ALA A 20 4.764 1.706 -7.255 1.00 0.00 O ATOM 261 CB ALA A 20 7.237 1.510 -8.920 1.00 0.00 C ATOM 0 H ALA A 20 6.604 3.842 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 20 5.675 1.416 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.305 0.426 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.975 1.858 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.432 1.971 -7.952 1.00 0.00 H new ATOM 267 N CYS A 21 3.811 0.645 -9.009 1.00 0.00 N ATOM 268 CA CYS A 21 2.711 0.105 -8.228 1.00 0.00 C ATOM 269 C CYS A 21 3.171 -1.210 -7.596 1.00 0.00 C ATOM 270 O CYS A 21 3.611 -2.120 -8.297 1.00 0.00 O ATOM 271 CB CYS A 21 1.451 -0.080 -9.077 1.00 0.00 C ATOM 272 SG CYS A 21 1.744 -1.348 -10.363 1.00 0.00 S ATOM 0 H CYS A 21 3.795 0.394 -9.998 1.00 0.00 H new ATOM 0 HA CYS A 21 2.440 0.810 -7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.616 -0.379 -8.443 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.175 0.866 -9.543 1.00 0.00 H new ATOM 0 HG CYS A 21 2.698 -2.143 -9.979 1.00 0.00 H new ATOM 278 N ARG A 22 3.053 -1.269 -6.277 1.00 0.00 N ATOM 279 CA ARG A 22 3.451 -2.457 -5.542 1.00 0.00 C ATOM 280 C ARG A 22 2.239 -3.087 -4.854 1.00 0.00 C ATOM 281 O ARG A 22 1.194 -2.451 -4.725 1.00 0.00 O ATOM 282 CB ARG A 22 4.511 -2.125 -4.490 1.00 0.00 C ATOM 283 CG ARG A 22 5.893 -2.610 -4.931 1.00 0.00 C ATOM 284 CD ARG A 22 5.941 -4.137 -5.005 1.00 0.00 C ATOM 285 NE ARG A 22 7.165 -4.572 -5.715 1.00 0.00 N ATOM 286 CZ ARG A 22 7.281 -4.623 -7.049 1.00 0.00 C ATOM 287 NH1 ARG A 22 6.249 -4.267 -7.826 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.430 -5.030 -7.606 1.00 0.00 N ATOM 0 H ARG A 22 2.687 -0.513 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 22 3.874 -3.162 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.536 -1.048 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.244 -2.590 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.136 -2.187 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.648 -2.252 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.925 -4.559 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.058 -4.512 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 22 7.970 -4.850 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.375 -3.957 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.338 -4.306 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.216 -5.301 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.519 -5.069 -8.621 1.00 0.00 H new ATOM 302 N SER A 23 2.418 -4.329 -4.430 1.00 0.00 N ATOM 303 CA SER A 23 1.352 -5.052 -3.758 1.00 0.00 C ATOM 304 C SER A 23 1.886 -5.706 -2.482 1.00 0.00 C ATOM 305 O SER A 23 3.091 -5.906 -2.341 1.00 0.00 O ATOM 306 CB SER A 23 0.737 -6.109 -4.679 1.00 0.00 C ATOM 307 OG SER A 23 0.249 -5.541 -5.891 1.00 0.00 O ATOM 0 H SER A 23 3.286 -4.853 -4.539 1.00 0.00 H new ATOM 0 HA SER A 23 0.570 -4.340 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.484 -6.868 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.079 -6.612 -4.160 1.00 0.00 H new ATOM 0 HG SER A 23 -0.134 -6.247 -6.452 1.00 0.00 H new ATOM 313 N VAL A 24 0.963 -6.021 -1.586 1.00 0.00 N ATOM 314 CA VAL A 24 1.325 -6.648 -0.326 1.00 0.00 C ATOM 315 C VAL A 24 0.202 -7.590 0.112 1.00 0.00 C ATOM 316 O VAL A 24 -0.976 -7.274 -0.049 1.00 0.00 O ATOM 317 CB VAL A 24 1.649 -5.578 0.718 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.107 -5.128 0.608 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.697 -4.386 0.594 1.00 0.00 C ATOM 0 H VAL A 24 -0.036 -5.854 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 24 2.226 -7.250 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 24 1.508 -6.019 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.311 -4.367 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.765 -5.982 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.286 -4.713 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.949 -3.640 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.792 -3.946 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.329 -4.722 0.745 1.00 0.00 H new ATOM 329 N GLU A 25 0.606 -8.728 0.658 1.00 0.00 N ATOM 330 CA GLU A 25 -0.352 -9.718 1.120 1.00 0.00 C ATOM 331 C GLU A 25 -0.612 -9.545 2.618 1.00 0.00 C ATOM 332 O GLU A 25 0.223 -9.912 3.443 1.00 0.00 O ATOM 333 CB GLU A 25 0.130 -11.136 0.807 1.00 0.00 C ATOM 334 CG GLU A 25 -0.642 -11.729 -0.373 1.00 0.00 C ATOM 335 CD GLU A 25 -0.512 -13.254 -0.402 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.470 -13.728 -1.013 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.397 -13.910 0.188 1.00 0.00 O ATOM 0 H GLU A 25 1.584 -8.986 0.791 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.290 -9.564 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.195 -11.120 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.003 -11.769 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.694 -11.451 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.265 -11.310 -1.306 1.00 0.00 H new ATOM 344 N VAL A 26 -1.774 -8.987 2.924 1.00 0.00 N ATOM 345 CA VAL A 26 -2.155 -8.761 4.308 1.00 0.00 C ATOM 346 C VAL A 26 -3.552 -9.336 4.548 1.00 0.00 C ATOM 347 O VAL A 26 -4.265 -9.661 3.600 1.00 0.00 O ATOM 348 CB VAL A 26 -2.056 -7.271 4.642 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.601 -6.798 4.613 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.922 -6.439 3.694 1.00 0.00 C ATOM 0 H VAL A 26 -2.465 -8.685 2.237 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.471 -9.277 4.982 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.434 -7.128 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.559 -5.736 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.021 -7.359 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.185 -6.961 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.834 -5.384 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.587 -6.590 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.963 -6.749 3.785 1.00 0.00 H new ATOM 360 N ALA A 27 -3.901 -9.445 5.822 1.00 0.00 N ATOM 361 CA ALA A 27 -5.201 -9.975 6.199 1.00 0.00 C ATOM 362 C ALA A 27 -5.918 -8.965 7.097 1.00 0.00 C ATOM 363 O ALA A 27 -5.274 -8.176 7.786 1.00 0.00 O ATOM 364 CB ALA A 27 -5.020 -11.334 6.878 1.00 0.00 C ATOM 0 H ALA A 27 -3.306 -9.175 6.606 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.823 -10.131 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.994 -11.732 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.533 -12.023 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.403 -11.216 7.769 1.00 0.00 H new ATOM 370 N ALA A 28 -7.241 -9.024 7.060 1.00 0.00 N ATOM 371 CA ALA A 28 -8.052 -8.124 7.862 1.00 0.00 C ATOM 372 C ALA A 28 -7.416 -7.966 9.245 1.00 0.00 C ATOM 373 O ALA A 28 -7.601 -8.814 10.117 1.00 0.00 O ATOM 374 CB ALA A 28 -9.484 -8.657 7.936 1.00 0.00 C ATOM 0 H ALA A 28 -7.771 -9.681 6.487 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.095 -7.136 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.093 -7.982 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.900 -8.722 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.481 -9.647 8.392 1.00 0.00 H new ATOM 380 N GLY A 29 -6.681 -6.875 9.402 1.00 0.00 N ATOM 381 CA GLY A 29 -6.017 -6.596 10.663 1.00 0.00 C ATOM 382 C GLY A 29 -4.834 -5.647 10.462 1.00 0.00 C ATOM 383 O GLY A 29 -4.722 -4.634 11.151 1.00 0.00 O ATOM 0 H GLY A 29 -6.531 -6.174 8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.727 -6.154 11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.669 -7.528 11.109 1.00 0.00 H new ATOM 387 N ALA A 30 -3.982 -6.008 9.514 1.00 0.00 N ATOM 388 CA ALA A 30 -2.811 -5.200 9.213 1.00 0.00 C ATOM 389 C ALA A 30 -3.223 -3.730 9.112 1.00 0.00 C ATOM 390 O ALA A 30 -4.277 -3.414 8.562 1.00 0.00 O ATOM 391 CB ALA A 30 -2.155 -5.712 7.929 1.00 0.00 C ATOM 0 H ALA A 30 -4.078 -6.848 8.944 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.073 -5.281 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.277 -5.107 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.855 -6.751 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.865 -5.643 7.105 1.00 0.00 H new ATOM 397 N THR A 31 -2.371 -2.872 9.651 1.00 0.00 N ATOM 398 CA THR A 31 -2.633 -1.443 9.628 1.00 0.00 C ATOM 399 C THR A 31 -1.697 -0.744 8.640 1.00 0.00 C ATOM 400 O THR A 31 -0.858 -1.389 8.013 1.00 0.00 O ATOM 401 CB THR A 31 -2.508 -0.916 11.059 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.103 -0.792 11.262 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.946 -1.946 12.103 1.00 0.00 C ATOM 0 H THR A 31 -1.498 -3.138 10.107 1.00 0.00 H new ATOM 0 HA THR A 31 -3.643 -1.232 9.275 1.00 0.00 H new ATOM 0 HB THR A 31 -3.108 -0.013 11.167 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.924 -0.609 12.208 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.837 -1.521 13.101 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.989 -2.214 11.934 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.324 -2.837 12.018 1.00 0.00 H new ATOM 411 N ALA A 32 -1.872 0.565 8.532 1.00 0.00 N ATOM 412 CA ALA A 32 -1.053 1.357 7.631 1.00 0.00 C ATOM 413 C ALA A 32 0.420 1.197 8.012 1.00 0.00 C ATOM 414 O ALA A 32 1.308 1.516 7.223 1.00 0.00 O ATOM 415 CB ALA A 32 -1.511 2.817 7.675 1.00 0.00 C ATOM 0 H ALA A 32 -2.569 1.097 9.054 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.167 1.010 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.897 3.412 6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.555 2.880 7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.408 3.200 8.690 1.00 0.00 H new ATOM 421 N ARG A 33 0.634 0.701 9.222 1.00 0.00 N ATOM 422 CA ARG A 33 1.984 0.494 9.718 1.00 0.00 C ATOM 423 C ARG A 33 2.551 -0.822 9.181 1.00 0.00 C ATOM 424 O ARG A 33 3.743 -0.917 8.894 1.00 0.00 O ATOM 425 CB ARG A 33 2.011 0.466 11.247 1.00 0.00 C ATOM 426 CG ARG A 33 3.266 -0.244 11.761 1.00 0.00 C ATOM 427 CD ARG A 33 4.530 0.519 11.361 1.00 0.00 C ATOM 428 NE ARG A 33 5.565 0.367 12.407 1.00 0.00 N ATOM 429 CZ ARG A 33 5.526 0.980 13.598 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.502 1.789 13.901 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.510 0.782 14.486 1.00 0.00 N ATOM 0 H ARG A 33 -0.105 0.436 9.873 1.00 0.00 H new ATOM 0 HA ARG A 33 2.596 1.326 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.981 1.485 11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.122 -0.043 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.219 -0.333 12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.306 -1.257 11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.905 0.144 10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.298 1.574 11.218 1.00 0.00 H new ATOM 0 HE ARG A 33 6.358 -0.243 12.209 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.753 1.938 13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.472 2.256 14.807 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.289 0.165 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.480 1.249 15.393 1.00 0.00 H new ATOM 445 N HIS A 34 1.669 -1.803 9.060 1.00 0.00 N ATOM 446 CA HIS A 34 2.066 -3.109 8.562 1.00 0.00 C ATOM 447 C HIS A 34 2.547 -2.983 7.115 1.00 0.00 C ATOM 448 O HIS A 34 3.594 -3.519 6.756 1.00 0.00 O ATOM 449 CB HIS A 34 0.930 -4.121 8.724 1.00 0.00 C ATOM 450 CG HIS A 34 0.925 -4.832 10.056 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.705 -4.177 11.255 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.115 -6.147 10.365 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.763 -5.067 12.235 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.017 -6.287 11.681 1.00 0.00 N ATOM 0 H HIS A 34 0.681 -1.720 9.298 1.00 0.00 H new ATOM 0 HA HIS A 34 2.899 -3.489 9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.022 -3.606 8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.002 -4.863 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.312 -6.940 9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.632 -4.862 13.287 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.115 -7.163 12.194 1.00 0.00 H new ATOM 462 N VAL A 35 1.758 -2.270 6.324 1.00 0.00 N ATOM 463 CA VAL A 35 2.089 -2.067 4.924 1.00 0.00 C ATOM 464 C VAL A 35 3.449 -1.372 4.822 1.00 0.00 C ATOM 465 O VAL A 35 4.305 -1.788 4.043 1.00 0.00 O ATOM 466 CB VAL A 35 0.969 -1.291 4.229 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.372 -0.905 2.804 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.335 -2.091 4.232 1.00 0.00 C ATOM 0 H VAL A 35 0.891 -1.826 6.626 1.00 0.00 H new ATOM 0 HA VAL A 35 2.172 -3.024 4.409 1.00 0.00 H new ATOM 0 HB VAL A 35 0.800 -0.372 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.558 -0.354 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.264 -0.279 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.582 -1.807 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.115 -1.517 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.185 -3.034 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.636 -2.293 5.260 1.00 0.00 H new ATOM 478 N CYS A 36 3.606 -0.327 5.622 1.00 0.00 N ATOM 479 CA CYS A 36 4.847 0.428 5.631 1.00 0.00 C ATOM 480 C CYS A 36 5.995 -0.538 5.929 1.00 0.00 C ATOM 481 O CYS A 36 6.970 -0.599 5.181 1.00 0.00 O ATOM 482 CB CYS A 36 4.798 1.583 6.634 1.00 0.00 C ATOM 483 SG CYS A 36 6.483 2.238 6.916 1.00 0.00 S ATOM 0 H CYS A 36 2.894 0.014 6.268 1.00 0.00 H new ATOM 0 HA CYS A 36 5.004 0.887 4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.149 2.374 6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.370 1.240 7.576 1.00 0.00 H new ATOM 0 HG CYS A 36 6.430 3.219 7.767 1.00 0.00 H new ATOM 489 N GLU A 37 5.842 -1.270 7.023 1.00 0.00 N ATOM 490 CA GLU A 37 6.854 -2.230 7.429 1.00 0.00 C ATOM 491 C GLU A 37 7.242 -3.123 6.249 1.00 0.00 C ATOM 492 O GLU A 37 8.416 -3.217 5.896 1.00 0.00 O ATOM 493 CB GLU A 37 6.371 -3.067 8.615 1.00 0.00 C ATOM 494 CG GLU A 37 6.461 -2.273 9.919 1.00 0.00 C ATOM 495 CD GLU A 37 6.726 -3.199 11.108 1.00 0.00 C ATOM 496 OE1 GLU A 37 6.169 -4.318 11.091 1.00 0.00 O ATOM 497 OE2 GLU A 37 7.479 -2.767 12.007 1.00 0.00 O ATOM 0 H GLU A 37 5.032 -1.217 7.641 1.00 0.00 H new ATOM 0 HA GLU A 37 7.739 -1.681 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.341 -3.382 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.972 -3.973 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.259 -1.534 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.533 -1.725 10.080 1.00 0.00 H new ATOM 504 N MET A 38 6.232 -3.757 5.671 1.00 0.00 N ATOM 505 CA MET A 38 6.452 -4.640 4.538 1.00 0.00 C ATOM 506 C MET A 38 7.086 -3.883 3.369 1.00 0.00 C ATOM 507 O MET A 38 8.191 -4.210 2.939 1.00 0.00 O ATOM 508 CB MET A 38 5.118 -5.243 4.093 1.00 0.00 C ATOM 509 CG MET A 38 4.398 -5.909 5.268 1.00 0.00 C ATOM 510 SD MET A 38 4.053 -7.617 4.883 1.00 0.00 S ATOM 511 CE MET A 38 2.652 -7.413 3.796 1.00 0.00 C ATOM 0 H MET A 38 5.259 -3.677 5.966 1.00 0.00 H new ATOM 0 HA MET A 38 7.134 -5.433 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.486 -4.463 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.291 -5.976 3.305 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.014 -5.847 6.165 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.469 -5.381 5.482 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.869 -8.118 4.075 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.271 -6.395 3.881 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.959 -7.601 2.767 1.00 0.00 H new ATOM 521 N LEU A 39 6.359 -2.886 2.887 1.00 0.00 N ATOM 522 CA LEU A 39 6.836 -2.080 1.776 1.00 0.00 C ATOM 523 C LEU A 39 8.299 -1.703 2.017 1.00 0.00 C ATOM 524 O LEU A 39 9.159 -1.973 1.181 1.00 0.00 O ATOM 525 CB LEU A 39 5.918 -0.876 1.555 1.00 0.00 C ATOM 526 CG LEU A 39 4.502 -1.192 1.071 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.698 0.091 0.853 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.533 -2.069 -0.183 1.00 0.00 C ATOM 0 H LEU A 39 5.443 -2.618 3.246 1.00 0.00 H new ATOM 0 HA LEU A 39 6.803 -2.651 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.845 -0.323 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.389 -0.213 0.829 1.00 0.00 H new ATOM 0 HG LEU A 39 3.995 -1.762 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.695 -0.162 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.632 0.643 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.194 0.708 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.513 -2.279 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.065 -1.548 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.042 -3.006 0.041 1.00 0.00 H new ATOM 540 N VAL A 40 8.536 -1.083 3.164 1.00 0.00 N ATOM 541 CA VAL A 40 9.880 -0.666 3.526 1.00 0.00 C ATOM 542 C VAL A 40 10.851 -1.823 3.285 1.00 0.00 C ATOM 543 O VAL A 40 11.855 -1.663 2.593 1.00 0.00 O ATOM 544 CB VAL A 40 9.900 -0.159 4.969 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.299 -0.286 5.575 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.396 1.284 5.050 1.00 0.00 C ATOM 0 H VAL A 40 7.820 -0.859 3.855 1.00 0.00 H new ATOM 0 HA VAL A 40 10.203 0.165 2.899 1.00 0.00 H new ATOM 0 HB VAL A 40 9.224 -0.783 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.286 0.081 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.605 -1.332 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.004 0.302 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.420 1.620 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.035 1.927 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.373 1.334 4.676 1.00 0.00 H new ATOM 705 N TRP A 51 7.494 6.652 7.578 1.00 0.00 N ATOM 706 CA TRP A 51 6.703 6.629 6.360 1.00 0.00 C ATOM 707 C TRP A 51 5.237 6.429 6.751 1.00 0.00 C ATOM 708 O TRP A 51 4.926 6.230 7.924 1.00 0.00 O ATOM 709 CB TRP A 51 7.215 5.558 5.394 1.00 0.00 C ATOM 710 CG TRP A 51 8.469 5.967 4.619 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.629 6.426 5.109 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.643 5.935 3.187 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.534 6.691 4.102 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.915 6.383 2.896 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.755 5.541 2.171 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.415 6.480 1.591 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.269 5.643 0.872 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.547 6.092 0.563 1.00 0.00 C ATOM 0 HA TRP A 51 6.794 7.573 5.823 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.428 4.649 5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.424 5.316 4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.830 6.570 6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.482 7.047 4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.755 5.188 2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.415 6.835 1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.627 5.352 0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.870 6.142 -0.466 1.00 0.00 H new ATOM 729 N GLY A 52 4.376 6.490 5.746 1.00 0.00 N ATOM 730 CA GLY A 52 2.951 6.319 5.970 1.00 0.00 C ATOM 731 C GLY A 52 2.223 6.005 4.661 1.00 0.00 C ATOM 732 O GLY A 52 2.855 5.855 3.616 1.00 0.00 O ATOM 0 H GLY A 52 4.638 6.656 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.786 5.512 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.537 7.226 6.412 1.00 0.00 H new ATOM 736 N LEU A 53 0.905 5.916 4.761 1.00 0.00 N ATOM 737 CA LEU A 53 0.085 5.624 3.597 1.00 0.00 C ATOM 738 C LEU A 53 -0.753 6.855 3.247 1.00 0.00 C ATOM 739 O LEU A 53 -1.090 7.650 4.123 1.00 0.00 O ATOM 740 CB LEU A 53 -0.745 4.360 3.831 1.00 0.00 C ATOM 741 CG LEU A 53 -0.201 3.075 3.205 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.216 1.936 3.322 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.230 3.311 1.756 1.00 0.00 C ATOM 0 H LEU A 53 0.385 6.041 5.629 1.00 0.00 H new ATOM 0 HA LEU A 53 0.713 5.410 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.840 4.205 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.749 4.532 3.444 1.00 0.00 H new ATOM 0 HG LEU A 53 0.687 2.774 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.804 1.034 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.432 1.748 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.135 2.214 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.613 2.382 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.626 3.649 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.011 4.071 1.728 1.00 0.00 H new ATOM 755 N VAL A 54 -1.067 6.972 1.966 1.00 0.00 N ATOM 756 CA VAL A 54 -1.860 8.093 1.489 1.00 0.00 C ATOM 757 C VAL A 54 -2.995 7.570 0.607 1.00 0.00 C ATOM 758 O VAL A 54 -2.752 6.859 -0.367 1.00 0.00 O ATOM 759 CB VAL A 54 -0.962 9.102 0.772 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.779 10.279 0.234 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.160 9.588 1.691 1.00 0.00 C ATOM 0 H VAL A 54 -0.787 6.309 1.243 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.316 8.622 2.326 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.503 8.597 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.116 10.981 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.524 9.912 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.279 10.783 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.784 10.304 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.271 10.067 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.768 8.739 2.003 1.00 0.00 H new ATOM 771 N GLU A 55 -4.211 7.942 0.979 1.00 0.00 N ATOM 772 CA GLU A 55 -5.385 7.520 0.234 1.00 0.00 C ATOM 773 C GLU A 55 -5.702 8.528 -0.873 1.00 0.00 C ATOM 774 O GLU A 55 -6.073 9.666 -0.593 1.00 0.00 O ATOM 775 CB GLU A 55 -6.585 7.330 1.163 1.00 0.00 C ATOM 776 CG GLU A 55 -7.199 8.678 1.547 1.00 0.00 C ATOM 777 CD GLU A 55 -7.855 8.608 2.928 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.244 7.972 3.814 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.951 9.191 3.066 1.00 0.00 O ATOM 0 H GLU A 55 -4.409 8.532 1.787 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.170 6.557 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.336 6.711 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.273 6.799 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.427 9.447 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.940 8.969 0.803 1.00 0.00 H new ATOM 786 N CYS A 56 -5.543 8.072 -2.107 1.00 0.00 N ATOM 787 CA CYS A 56 -5.808 8.919 -3.257 1.00 0.00 C ATOM 788 C CYS A 56 -7.238 8.653 -3.731 1.00 0.00 C ATOM 789 O CYS A 56 -7.719 7.523 -3.663 1.00 0.00 O ATOM 790 CB CYS A 56 -4.786 8.694 -4.373 1.00 0.00 C ATOM 791 SG CYS A 56 -3.121 9.206 -3.810 1.00 0.00 S ATOM 0 H CYS A 56 -5.234 7.127 -2.335 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.710 9.966 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.774 7.643 -4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.071 9.263 -5.258 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.359 9.415 -4.842 1.00 0.00 H new ATOM 797 N HIS A 57 -7.879 9.714 -4.202 1.00 0.00 N ATOM 798 CA HIS A 57 -9.244 9.609 -4.687 1.00 0.00 C ATOM 799 C HIS A 57 -9.280 9.902 -6.188 1.00 0.00 C ATOM 800 O HIS A 57 -9.430 11.052 -6.596 1.00 0.00 O ATOM 801 CB HIS A 57 -10.177 10.517 -3.883 1.00 0.00 C ATOM 802 CG HIS A 57 -10.361 10.091 -2.446 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.551 8.772 -2.073 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.380 10.823 -1.295 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.679 8.724 -0.755 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.573 9.997 -0.275 1.00 0.00 N ATOM 0 H HIS A 57 -7.477 10.650 -4.258 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.608 8.592 -4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.784 11.533 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.151 10.543 -4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.258 11.894 -1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.839 7.834 -0.165 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.632 10.269 0.706 1.00 0.00 H new ATOM 814 N PRO A 58 -9.135 8.813 -6.990 1.00 0.00 N ATOM 815 CA PRO A 58 -9.149 8.942 -8.437 1.00 0.00 C ATOM 816 C PRO A 58 -10.570 9.176 -8.953 1.00 0.00 C ATOM 817 O PRO A 58 -11.054 8.436 -9.808 1.00 0.00 O ATOM 818 CB PRO A 58 -8.535 7.651 -8.953 1.00 0.00 C ATOM 819 CG PRO A 58 -8.627 6.658 -7.806 1.00 0.00 C ATOM 820 CD PRO A 58 -8.955 7.435 -6.541 1.00 0.00 C ATOM 0 HA PRO A 58 -8.583 9.805 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.071 7.286 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.499 7.805 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.397 5.913 -8.007 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.686 6.120 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.857 7.053 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.151 7.359 -5.809 1.00 0.00 H new ATOM 828 N HIS A 59 -11.199 10.209 -8.412 1.00 0.00 N ATOM 829 CA HIS A 59 -12.555 10.550 -8.807 1.00 0.00 C ATOM 830 C HIS A 59 -12.900 11.952 -8.301 1.00 0.00 C ATOM 831 O HIS A 59 -13.505 12.744 -9.022 1.00 0.00 O ATOM 832 CB HIS A 59 -13.545 9.487 -8.326 1.00 0.00 C ATOM 833 CG HIS A 59 -13.449 9.181 -6.850 1.00 0.00 C ATOM 834 ND1 HIS A 59 -12.246 8.935 -6.212 1.00 0.00 N ATOM 835 CD2 HIS A 59 -14.418 9.087 -5.895 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.492 8.702 -4.931 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.839 8.796 -4.737 1.00 0.00 N ATOM 0 H HIS A 59 -10.795 10.821 -7.703 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.627 10.565 -9.895 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.558 9.820 -8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.378 8.569 -8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.477 9.226 -6.054 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.756 8.477 -4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.322 8.664 -3.848 1.00 0.00 H new ATOM 845 N LEU A 60 -12.499 12.216 -7.066 1.00 0.00 N ATOM 846 CA LEU A 60 -12.758 13.509 -6.456 1.00 0.00 C ATOM 847 C LEU A 60 -11.491 14.364 -6.526 1.00 0.00 C ATOM 848 O LEU A 60 -11.497 15.524 -6.117 1.00 0.00 O ATOM 849 CB LEU A 60 -13.303 13.332 -5.037 1.00 0.00 C ATOM 850 CG LEU A 60 -14.042 12.022 -4.761 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.631 12.011 -3.349 1.00 0.00 C ATOM 852 CD2 LEU A 60 -15.107 11.757 -5.828 1.00 0.00 C ATOM 0 H LEU A 60 -11.997 11.557 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.533 14.042 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.471 13.411 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.979 14.160 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.321 11.206 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.151 11.068 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.829 12.120 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.334 12.837 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.617 10.819 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.831 12.572 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.632 11.690 -6.807 1.00 0.00 H new ATOM 864 N ALA A 61 -10.435 13.758 -7.047 1.00 0.00 N ATOM 865 CA ALA A 61 -9.163 14.449 -7.176 1.00 0.00 C ATOM 866 C ALA A 61 -8.715 14.945 -5.800 1.00 0.00 C ATOM 867 O ALA A 61 -8.302 16.094 -5.654 1.00 0.00 O ATOM 868 CB ALA A 61 -9.301 15.587 -8.189 1.00 0.00 C ATOM 0 H ALA A 61 -10.434 12.796 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.394 13.772 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.347 16.105 -8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.592 15.179 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.062 16.288 -7.847 1.00 0.00 H new ATOM 874 N LEU A 62 -8.813 14.054 -4.824 1.00 0.00 N ATOM 875 CA LEU A 62 -8.423 14.387 -3.465 1.00 0.00 C ATOM 876 C LEU A 62 -7.286 13.463 -3.024 1.00 0.00 C ATOM 877 O LEU A 62 -7.119 12.374 -3.571 1.00 0.00 O ATOM 878 CB LEU A 62 -9.638 14.351 -2.535 1.00 0.00 C ATOM 879 CG LEU A 62 -10.047 15.689 -1.914 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.300 16.741 -2.996 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.252 15.518 -0.987 1.00 0.00 C ATOM 0 H LEU A 62 -9.157 13.102 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.043 15.407 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.487 13.958 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.433 13.646 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.220 16.049 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.589 17.682 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.391 16.890 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.101 16.402 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.522 16.484 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.095 15.124 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.999 14.824 -0.186 1.00 0.00 H new ATOM 893 N GLU A 63 -6.532 13.933 -2.041 1.00 0.00 N ATOM 894 CA GLU A 63 -5.415 13.163 -1.521 1.00 0.00 C ATOM 895 C GLU A 63 -5.291 13.362 -0.009 1.00 0.00 C ATOM 896 O GLU A 63 -4.865 14.421 0.448 1.00 0.00 O ATOM 897 CB GLU A 63 -4.113 13.538 -2.232 1.00 0.00 C ATOM 898 CG GLU A 63 -4.066 12.941 -3.640 1.00 0.00 C ATOM 899 CD GLU A 63 -4.023 14.043 -4.701 1.00 0.00 C ATOM 900 OE1 GLU A 63 -2.932 14.628 -4.869 1.00 0.00 O ATOM 901 OE2 GLU A 63 -5.084 14.274 -5.321 1.00 0.00 O ATOM 0 H GLU A 63 -6.673 14.837 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.605 12.107 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.026 14.623 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.262 13.180 -1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.189 12.302 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.940 12.310 -3.801 1.00 0.00 H new ATOM 908 N ARG A 64 -5.671 12.327 0.725 1.00 0.00 N ATOM 909 CA ARG A 64 -5.608 12.374 2.176 1.00 0.00 C ATOM 910 C ARG A 64 -4.639 11.313 2.700 1.00 0.00 C ATOM 911 O ARG A 64 -4.463 10.266 2.078 1.00 0.00 O ATOM 912 CB ARG A 64 -6.988 12.145 2.795 1.00 0.00 C ATOM 913 CG ARG A 64 -6.901 12.079 4.321 1.00 0.00 C ATOM 914 CD ARG A 64 -8.293 12.126 4.953 1.00 0.00 C ATOM 915 NE ARG A 64 -8.547 10.880 5.710 1.00 0.00 N ATOM 916 CZ ARG A 64 -9.605 10.690 6.511 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.513 11.663 6.663 1.00 0.00 N ATOM 918 NH2 ARG A 64 -9.754 9.526 7.159 1.00 0.00 N ATOM 0 H ARG A 64 -6.024 11.450 0.342 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.255 13.365 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.661 12.950 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.413 11.218 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.393 11.162 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.302 12.911 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.371 12.987 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.049 12.251 4.178 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.875 10.118 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.399 12.548 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.318 11.519 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.062 8.785 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.559 9.381 7.769 1.00 0.00 H new ATOM 932 N GLY A 65 -4.035 11.619 3.839 1.00 0.00 N ATOM 933 CA GLY A 65 -3.088 10.705 4.454 1.00 0.00 C ATOM 934 C GLY A 65 -3.646 10.135 5.760 1.00 0.00 C ATOM 935 O GLY A 65 -4.219 10.866 6.566 1.00 0.00 O ATOM 0 H GLY A 65 -4.183 12.488 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.862 9.891 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.151 11.225 4.651 1.00 0.00 H new ATOM 939 N LEU A 66 -3.458 8.834 5.928 1.00 0.00 N ATOM 940 CA LEU A 66 -3.935 8.157 7.122 1.00 0.00 C ATOM 941 C LEU A 66 -2.740 7.774 7.997 1.00 0.00 C ATOM 942 O LEU A 66 -1.619 7.652 7.505 1.00 0.00 O ATOM 943 CB LEU A 66 -4.827 6.972 6.746 1.00 0.00 C ATOM 944 CG LEU A 66 -4.229 5.971 5.756 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.708 4.549 6.058 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.529 6.381 4.313 1.00 0.00 C ATOM 0 H LEU A 66 -2.982 8.231 5.257 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.563 8.824 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.091 6.437 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.754 7.360 6.325 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.146 5.979 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.268 3.857 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.403 4.269 7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.795 4.508 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.093 5.653 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.608 6.419 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.100 7.364 4.117 1.00 0.00 H new ATOM 958 N GLU A 67 -3.020 7.595 9.280 1.00 0.00 N ATOM 959 CA GLU A 67 -1.982 7.228 10.228 1.00 0.00 C ATOM 960 C GLU A 67 -1.586 5.762 10.041 1.00 0.00 C ATOM 961 O GLU A 67 -2.009 5.119 9.082 1.00 0.00 O ATOM 962 CB GLU A 67 -2.434 7.495 11.666 1.00 0.00 C ATOM 963 CG GLU A 67 -1.937 8.858 12.152 1.00 0.00 C ATOM 964 CD GLU A 67 -1.611 8.821 13.647 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.946 7.846 14.058 1.00 0.00 O ATOM 966 OE2 GLU A 67 -2.034 9.769 14.343 1.00 0.00 O ATOM 0 H GLU A 67 -3.951 7.697 9.685 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.106 7.848 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.522 7.460 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.056 6.711 12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.049 9.147 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.697 9.616 11.960 1.00 0.00 H new ATOM 973 N ASP A 68 -0.779 5.277 10.973 1.00 0.00 N ATOM 974 CA ASP A 68 -0.321 3.899 10.923 1.00 0.00 C ATOM 975 C ASP A 68 -1.365 2.995 11.582 1.00 0.00 C ATOM 976 O ASP A 68 -1.810 2.016 10.984 1.00 0.00 O ATOM 977 CB ASP A 68 0.997 3.728 11.681 1.00 0.00 C ATOM 978 CG ASP A 68 1.510 4.990 12.378 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.043 5.243 13.509 1.00 0.00 O ATOM 980 OD2 ASP A 68 2.357 5.673 11.763 1.00 0.00 O ATOM 0 H ASP A 68 -0.430 5.814 11.767 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.173 3.631 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.870 2.944 12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.759 3.382 10.982 1.00 0.00 H new ATOM 985 N HIS A 69 -1.726 3.355 12.805 1.00 0.00 N ATOM 986 CA HIS A 69 -2.710 2.589 13.551 1.00 0.00 C ATOM 987 C HIS A 69 -3.954 2.372 12.688 1.00 0.00 C ATOM 988 O HIS A 69 -4.704 1.421 12.901 1.00 0.00 O ATOM 989 CB HIS A 69 -3.025 3.264 14.887 1.00 0.00 C ATOM 990 CG HIS A 69 -3.737 4.589 14.752 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.075 5.769 14.462 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.058 4.907 14.870 1.00 0.00 C ATOM 993 CE1 HIS A 69 -3.967 6.748 14.411 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.195 6.211 14.665 1.00 0.00 N ATOM 0 H HIS A 69 -1.355 4.167 13.298 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.304 1.607 13.794 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.640 2.592 15.486 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.094 3.417 15.434 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.071 5.869 14.313 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.857 4.215 15.092 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.758 7.787 14.205 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.135 3.271 11.731 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.276 3.190 10.835 1.00 0.00 C ATOM 1004 C GLU A 70 -5.226 1.891 10.028 1.00 0.00 C ATOM 1005 O GLU A 70 -4.187 1.543 9.469 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.334 4.408 9.910 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.891 5.629 10.646 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.409 5.523 10.813 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.107 5.738 9.799 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -7.836 5.229 11.950 1.00 0.00 O ATOM 0 H GLU A 70 -3.511 4.059 11.557 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.186 3.187 11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.336 4.630 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.959 4.183 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.419 5.715 11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.645 6.535 10.093 1.00 0.00 H new ATOM 1017 N SER A 71 -6.362 1.210 9.992 1.00 0.00 N ATOM 1018 CA SER A 71 -6.461 -0.043 9.263 1.00 0.00 C ATOM 1019 C SER A 71 -6.717 0.234 7.780 1.00 0.00 C ATOM 1020 O SER A 71 -7.762 0.771 7.416 1.00 0.00 O ATOM 1021 CB SER A 71 -7.569 -0.928 9.836 1.00 0.00 C ATOM 1022 OG SER A 71 -7.092 -2.226 10.179 1.00 0.00 O ATOM 0 H SER A 71 -7.222 1.502 10.456 1.00 0.00 H new ATOM 0 HA SER A 71 -5.516 -0.576 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.992 -0.452 10.721 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.374 -1.019 9.107 1.00 0.00 H new ATOM 0 HG SER A 71 -7.829 -2.760 10.543 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.744 -0.145 6.964 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.851 0.056 5.528 1.00 0.00 C ATOM 1030 C VAL A 72 -7.164 -0.549 5.030 1.00 0.00 C ATOM 1031 O VAL A 72 -7.827 0.023 4.166 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.621 -0.524 4.826 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.454 0.466 4.859 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.219 -1.866 5.442 1.00 0.00 C ATOM 0 H VAL A 72 -4.878 -0.590 7.269 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.873 1.120 5.291 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.883 -0.700 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.592 0.030 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.744 1.387 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.194 0.687 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.342 -2.256 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.985 -1.726 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.043 -2.573 5.343 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.502 -1.699 5.595 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.724 -2.388 5.218 1.00 0.00 C ATOM 1046 C VAL A 73 -9.930 -1.542 5.632 1.00 0.00 C ATOM 1047 O VAL A 73 -10.712 -1.114 4.785 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.743 -3.792 5.826 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.030 -4.533 5.458 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.509 -4.591 5.400 1.00 0.00 C ATOM 0 H VAL A 73 -6.950 -2.171 6.311 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.771 -2.516 4.137 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.716 -3.687 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.017 -5.528 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.890 -3.978 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.102 -4.621 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.547 -5.585 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.491 -4.681 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.609 -4.077 5.736 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.041 -1.325 6.934 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.138 -0.537 7.470 1.00 0.00 C ATOM 1062 C GLU A 74 -11.280 0.773 6.693 1.00 0.00 C ATOM 1063 O GLU A 74 -12.393 1.228 6.434 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.942 -0.270 8.964 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.982 -1.573 9.764 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.253 -1.299 11.245 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -10.265 -1.038 11.964 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -12.443 -1.357 11.624 1.00 0.00 O ATOM 0 H GLU A 74 -9.390 -1.681 7.634 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.060 -1.107 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.987 0.231 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.720 0.404 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.757 -2.226 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.034 -2.100 9.655 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.137 1.343 6.342 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.120 2.592 5.599 1.00 0.00 C ATOM 1077 C VAL A 75 -10.431 2.309 4.128 1.00 0.00 C ATOM 1078 O VAL A 75 -11.042 3.134 3.449 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.780 3.303 5.801 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.712 4.589 4.975 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.529 3.589 7.283 1.00 0.00 C ATOM 0 H VAL A 75 -9.215 0.963 6.558 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.890 3.268 5.970 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.991 2.637 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.750 5.075 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.824 4.349 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.514 5.261 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.570 4.095 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.324 4.226 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.513 2.650 7.837 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.996 1.141 3.678 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.220 0.740 2.299 1.00 0.00 C ATOM 1093 C GLN A 76 -11.691 0.374 2.086 1.00 0.00 C ATOM 1094 O GLN A 76 -12.239 0.596 1.007 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.304 -0.422 1.911 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.919 -1.250 0.780 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.833 -1.811 -0.141 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.617 -1.342 -1.246 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.165 -2.839 0.375 1.00 0.00 N ATOM 0 H GLN A 76 -9.490 0.460 4.244 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.978 1.582 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.334 -0.036 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.130 -1.058 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.503 -2.069 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.606 -0.631 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.397 -3.182 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.420 -3.284 -0.161 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.287 -0.180 3.131 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.683 -0.579 3.071 1.00 0.00 C ATOM 1110 C ALA A 77 -14.570 0.663 3.195 1.00 0.00 C ATOM 1111 O ALA A 77 -15.647 0.721 2.605 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.967 -1.610 4.165 1.00 0.00 C ATOM 0 H ALA A 77 -11.829 -0.362 4.024 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.907 -1.050 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.014 -1.909 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.333 -2.484 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.756 -1.172 5.141 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.082 1.624 3.966 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.817 2.860 4.175 1.00 0.00 C ATOM 1120 C ALA A 78 -14.989 3.578 2.835 1.00 0.00 C ATOM 1121 O ALA A 78 -15.895 4.394 2.676 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.085 3.720 5.208 1.00 0.00 C ATOM 0 H ALA A 78 -13.187 1.572 4.453 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.812 2.654 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.636 4.647 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.014 3.176 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.083 3.950 4.846 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.105 3.249 1.905 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.148 3.852 0.584 1.00 0.00 C ATOM 1130 C TRP A 79 -15.515 3.548 -0.031 1.00 0.00 C ATOM 1131 O TRP A 79 -16.101 2.500 0.237 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.982 3.365 -0.280 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.625 3.946 0.121 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.377 4.959 0.963 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.331 3.506 -0.340 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -10.024 5.202 1.078 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.367 4.290 0.260 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.986 2.478 -1.236 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.995 4.129 0.030 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.611 2.330 -1.454 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.628 3.112 -0.858 1.00 0.00 C ATOM 0 H TRP A 79 -13.354 2.572 2.040 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.029 4.933 0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.931 2.278 -0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.182 3.621 -1.320 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.141 5.515 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.586 5.919 1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.723 1.853 -1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.260 4.756 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.291 1.553 -2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.586 2.935 -1.079 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.997 4.508 -0.864 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.285 4.353 -1.519 1.00 0.00 C ATOM 1154 C PRO A 80 -17.198 3.349 -2.670 1.00 0.00 C ATOM 1155 O PRO A 80 -16.106 3.032 -3.141 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.663 5.751 -1.979 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.372 6.554 -1.979 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.331 5.762 -1.205 1.00 0.00 C ATOM 0 HA PRO A 80 -18.048 3.946 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.108 5.728 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.400 6.196 -1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.034 6.733 -3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.529 7.530 -1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.439 5.586 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.011 6.297 -0.310 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.362 2.875 -3.090 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.430 1.913 -4.176 1.00 0.00 C ATOM 1168 C VAL A 81 -17.875 2.550 -5.452 1.00 0.00 C ATOM 1169 O VAL A 81 -17.065 1.943 -6.151 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.865 1.407 -4.337 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.805 2.544 -4.744 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.931 0.255 -5.342 1.00 0.00 C ATOM 0 H VAL A 81 -19.265 3.140 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.814 1.042 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.197 1.028 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.818 2.157 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.792 3.319 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.475 2.967 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.962 -0.086 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.571 0.597 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.308 -0.568 -4.993 1.00 0.00 H new ATOM 1182 N GLY A 82 -18.332 3.765 -5.715 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.890 4.491 -6.894 1.00 0.00 C ATOM 1184 C GLY A 82 -16.618 5.290 -6.602 1.00 0.00 C ATOM 1185 O GLY A 82 -16.474 6.423 -7.058 1.00 0.00 O ATOM 0 H GLY A 82 -19.004 4.265 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.705 3.791 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.679 5.165 -7.227 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.728 4.666 -5.844 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.472 5.304 -5.486 1.00 0.00 C ATOM 1191 C GLY A 83 -13.377 4.264 -5.248 1.00 0.00 C ATOM 1192 O GLY A 83 -12.996 4.008 -4.106 1.00 0.00 O ATOM 0 H GLY A 83 -15.852 3.726 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.166 5.984 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.609 5.905 -4.587 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.900 3.691 -6.343 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.855 2.684 -6.268 1.00 0.00 C ATOM 1198 C ASP A 84 -10.840 3.088 -5.197 1.00 0.00 C ATOM 1199 O ASP A 84 -10.594 2.337 -4.255 1.00 0.00 O ATOM 1200 CB ASP A 84 -11.114 2.558 -7.600 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.600 1.426 -8.507 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.828 1.368 -8.733 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.733 0.645 -8.954 1.00 0.00 O ATOM 0 H ASP A 84 -13.218 3.905 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.323 1.730 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.206 3.500 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.054 2.410 -7.396 1.00 0.00 H new ATOM 1208 N SER A 85 -10.277 4.274 -5.379 1.00 0.00 N ATOM 1209 CA SER A 85 -9.293 4.787 -4.440 1.00 0.00 C ATOM 1210 C SER A 85 -8.111 3.821 -4.341 1.00 0.00 C ATOM 1211 O SER A 85 -8.253 2.630 -4.615 1.00 0.00 O ATOM 1212 CB SER A 85 -9.913 5.010 -3.059 1.00 0.00 C ATOM 1213 OG SER A 85 -10.726 6.180 -3.022 1.00 0.00 O ATOM 0 H SER A 85 -10.483 4.894 -6.162 1.00 0.00 H new ATOM 0 HA SER A 85 -8.938 5.749 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.514 4.142 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.121 5.095 -2.315 1.00 0.00 H new ATOM 0 HG SER A 85 -10.262 6.885 -2.525 1.00 0.00 H new ATOM 1219 N ARG A 86 -6.971 4.370 -3.949 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.764 3.572 -3.811 1.00 0.00 C ATOM 1221 C ARG A 86 -4.920 4.085 -2.642 1.00 0.00 C ATOM 1222 O ARG A 86 -5.225 5.125 -2.061 1.00 0.00 O ATOM 1223 CB ARG A 86 -4.928 3.611 -5.091 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.684 5.053 -5.543 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.198 5.407 -5.464 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.866 6.427 -6.484 1.00 0.00 N ATOM 1227 CZ ARG A 86 -2.831 6.188 -7.802 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.106 4.963 -8.268 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.520 7.175 -8.654 1.00 0.00 N ATOM 0 H ARG A 86 -6.857 5.358 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.067 2.542 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.973 3.113 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.439 3.060 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.039 5.183 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.258 5.736 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.958 5.783 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.594 4.513 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.650 7.371 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.342 4.212 -7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.079 4.781 -9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.310 8.108 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.493 6.993 -9.657 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.875 3.331 -2.334 1.00 0.00 N ATOM 1244 CA PHE A 87 -2.984 3.697 -1.245 1.00 0.00 C ATOM 1245 C PHE A 87 -1.595 4.060 -1.773 1.00 0.00 C ATOM 1246 O PHE A 87 -0.933 3.239 -2.406 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.867 2.474 -0.333 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.921 2.420 0.775 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.044 3.457 1.646 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.734 1.336 0.888 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.022 3.408 2.674 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.711 1.287 1.917 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.835 2.324 2.788 1.00 0.00 C ATOM 0 H PHE A 87 -3.625 2.469 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.380 4.563 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.946 1.572 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.876 2.466 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.398 4.318 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.637 0.513 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.120 4.232 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.356 0.426 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.579 2.287 3.570 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.193 5.291 -1.491 1.00 0.00 N ATOM 1264 CA VAL A 88 0.106 5.773 -1.929 1.00 0.00 C ATOM 1265 C VAL A 88 1.083 5.733 -0.752 1.00 0.00 C ATOM 1266 O VAL A 88 0.671 5.817 0.404 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.033 7.167 -2.544 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.267 7.960 -2.404 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.467 7.079 -4.009 1.00 0.00 C ATOM 0 H VAL A 88 -1.744 5.969 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 88 0.510 5.128 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.810 7.699 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.141 8.947 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.516 8.067 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.072 7.432 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.558 8.083 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.277 6.520 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.429 6.571 -4.074 1.00 0.00 H new ATOM 1279 N PHE A 89 2.358 5.606 -1.087 1.00 0.00 N ATOM 1280 CA PHE A 89 3.397 5.554 -0.073 1.00 0.00 C ATOM 1281 C PHE A 89 4.280 6.803 -0.129 1.00 0.00 C ATOM 1282 O PHE A 89 5.006 7.011 -1.100 1.00 0.00 O ATOM 1283 CB PHE A 89 4.255 4.324 -0.373 1.00 0.00 C ATOM 1284 CG PHE A 89 5.073 3.829 0.822 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.518 3.804 2.063 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.356 3.415 0.642 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.277 3.345 3.171 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.115 2.956 1.751 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.560 2.930 2.992 1.00 0.00 C ATOM 0 H PHE A 89 2.695 5.538 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 89 2.947 5.503 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.608 3.517 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.934 4.559 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.499 4.133 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.797 3.435 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.836 3.325 4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.134 2.627 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.137 2.580 3.835 1.00 0.00 H new ATOM 1299 N ARG A 90 4.190 7.600 0.925 1.00 0.00 N ATOM 1300 CA ARG A 90 4.971 8.822 1.009 1.00 0.00 C ATOM 1301 C ARG A 90 5.593 8.961 2.400 1.00 0.00 C ATOM 1302 O ARG A 90 5.059 8.437 3.377 1.00 0.00 O ATOM 1303 CB ARG A 90 4.106 10.050 0.719 1.00 0.00 C ATOM 1304 CG ARG A 90 3.509 9.981 -0.688 1.00 0.00 C ATOM 1305 CD ARG A 90 2.196 10.764 -0.766 1.00 0.00 C ATOM 1306 NE ARG A 90 2.320 11.863 -1.749 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.280 12.444 -2.361 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.032 12.034 -2.096 1.00 0.00 N ATOM 1309 NH2 ARG A 90 1.487 13.435 -3.239 1.00 0.00 N ATOM 0 H ARG A 90 3.588 7.423 1.729 1.00 0.00 H new ATOM 0 HA ARG A 90 5.760 8.763 0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.305 10.117 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.707 10.954 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.220 10.384 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.333 8.941 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.382 10.098 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.945 11.169 0.215 1.00 0.00 H new ATOM 0 HE ARG A 90 3.256 12.199 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.126 11.279 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.760 12.477 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.437 13.747 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.695 13.877 -3.705 1.00 0.00 H new ATOM 1323 N LYS A 91 6.711 9.670 2.446 1.00 0.00 N ATOM 1324 CA LYS A 91 7.410 9.885 3.701 1.00 0.00 C ATOM 1325 C LYS A 91 7.250 11.346 4.126 1.00 0.00 C ATOM 1326 O LYS A 91 7.314 11.661 5.313 1.00 0.00 O ATOM 1327 CB LYS A 91 8.868 9.434 3.586 1.00 0.00 C ATOM 1328 CG LYS A 91 9.688 10.433 2.767 1.00 0.00 C ATOM 1329 CD LYS A 91 10.582 9.711 1.757 1.00 0.00 C ATOM 1330 CE LYS A 91 11.966 9.436 2.348 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.901 10.532 2.010 1.00 0.00 N ATOM 0 H LYS A 91 7.150 10.103 1.634 1.00 0.00 H new ATOM 0 HA LYS A 91 6.972 9.274 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.301 9.333 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.912 8.451 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.019 11.115 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.302 11.038 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.116 8.771 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.681 10.316 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.892 9.334 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.350 8.491 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.836 10.329 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.985 10.610 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.541 11.428 2.397 1.00 0.00 H new