USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 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 Single : A 11 MET CE :methyl -127:sc= -0.0623 (180deg=-2.34!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 162:sc= -3.03 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 39 THR OG1 : rot 104:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.048) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 CYS SG : rot 21:sc= -0.998 USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.108) USER MOD Single : A 74 GLN : amide:sc= -0.0824 K(o=-0.082,f=-0.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00282 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.881 -10.490 3.534 1.00 0.00 N ATOM 109 CA MET A 11 6.665 -9.800 2.517 1.00 0.00 C ATOM 110 C MET A 11 7.247 -8.501 3.065 1.00 0.00 C ATOM 111 O MET A 11 8.316 -8.060 2.641 1.00 0.00 O ATOM 112 CB MET A 11 5.801 -9.507 1.289 1.00 0.00 C ATOM 113 CG MET A 11 4.996 -10.706 0.812 1.00 0.00 C ATOM 114 SD MET A 11 6.033 -12.130 0.427 1.00 0.00 S ATOM 115 CE MET A 11 5.058 -12.925 -0.848 1.00 0.00 C ATOM 0 HA MET A 11 7.489 -10.451 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 11 5.118 -8.690 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 11 6.442 -9.164 0.477 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.275 -10.984 1.581 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.426 -10.427 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.896 -13.970 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.096 -12.421 -0.938 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.588 -12.869 -1.799 1.00 0.00 H new ATOM 125 N LEU A 12 6.538 -7.892 4.010 1.00 0.00 N ATOM 126 CA LEU A 12 6.985 -6.642 4.615 1.00 0.00 C ATOM 127 C LEU A 12 8.353 -6.811 5.268 1.00 0.00 C ATOM 128 O LEU A 12 9.240 -5.974 5.101 1.00 0.00 O ATOM 129 CB LEU A 12 5.969 -6.162 5.654 1.00 0.00 C ATOM 130 CG LEU A 12 4.702 -5.529 5.079 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.644 -5.373 6.160 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.020 -4.184 4.443 1.00 0.00 C ATOM 0 H LEU A 12 5.652 -8.243 4.373 1.00 0.00 H new ATOM 0 HA LEU A 12 7.069 -5.896 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.682 -7.009 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.455 -5.436 6.306 1.00 0.00 H new ATOM 0 HG LEU A 12 4.307 -6.190 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.750 -4.921 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.395 -6.352 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.028 -4.734 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.107 -3.748 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.439 -3.516 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.742 -4.324 3.639 1.00 0.00 H new ATOM 144 N SER A 13 8.517 -7.900 6.013 1.00 0.00 N ATOM 145 CA SER A 13 9.777 -8.179 6.692 1.00 0.00 C ATOM 146 C SER A 13 10.903 -8.389 5.685 1.00 0.00 C ATOM 147 O SER A 13 11.989 -7.827 5.828 1.00 0.00 O ATOM 148 CB SER A 13 9.636 -9.414 7.583 1.00 0.00 C ATOM 149 OG SER A 13 10.663 -9.458 8.560 1.00 0.00 O ATOM 0 H SER A 13 7.793 -8.603 6.162 1.00 0.00 H new ATOM 0 HA SER A 13 10.026 -7.318 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.663 -9.403 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.674 -10.315 6.970 1.00 0.00 H new ATOM 0 HG SER A 13 10.550 -10.256 9.118 1.00 0.00 H new ATOM 155 N ALA A 14 10.637 -9.202 4.668 1.00 0.00 N ATOM 156 CA ALA A 14 11.629 -9.486 3.638 1.00 0.00 C ATOM 157 C ALA A 14 11.883 -8.262 2.766 1.00 0.00 C ATOM 158 O ALA A 14 12.998 -8.044 2.293 1.00 0.00 O ATOM 159 CB ALA A 14 11.180 -10.662 2.783 1.00 0.00 C ATOM 0 H ALA A 14 9.743 -9.675 4.535 1.00 0.00 H new ATOM 0 HA ALA A 14 12.565 -9.746 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.930 -10.863 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.058 -11.544 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.230 -10.423 2.305 1.00 0.00 H new ATOM 165 N LEU A 15 10.840 -7.465 2.557 1.00 0.00 N ATOM 166 CA LEU A 15 10.950 -6.261 1.741 1.00 0.00 C ATOM 167 C LEU A 15 11.636 -5.139 2.514 1.00 0.00 C ATOM 168 O LEU A 15 12.477 -4.422 1.972 1.00 0.00 O ATOM 169 CB LEU A 15 9.564 -5.804 1.280 1.00 0.00 C ATOM 170 CG LEU A 15 8.959 -6.623 0.139 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.447 -6.463 0.111 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.566 -6.209 -1.194 1.00 0.00 C ATOM 0 H LEU A 15 9.910 -7.631 2.941 1.00 0.00 H new ATOM 0 HA LEU A 15 11.557 -6.499 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.885 -5.839 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.628 -4.762 0.965 1.00 0.00 H new ATOM 0 HG LEU A 15 9.189 -7.675 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.034 -7.053 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.027 -6.809 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.195 -5.413 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.124 -6.802 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.366 -5.152 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.643 -6.376 -1.171 1.00 0.00 H new ATOM 184 N GLY A 16 11.271 -4.993 3.783 1.00 0.00 N ATOM 185 CA GLY A 16 11.861 -3.957 4.609 1.00 0.00 C ATOM 186 C GLY A 16 10.955 -2.751 4.761 1.00 0.00 C ATOM 187 O GLY A 16 11.411 -1.610 4.676 1.00 0.00 O ATOM 0 H GLY A 16 10.577 -5.574 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.085 -4.366 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.808 -3.643 4.171 1.00 0.00 H new ATOM 191 N LEU A 17 9.670 -3.002 4.986 1.00 0.00 N ATOM 192 CA LEU A 17 8.699 -1.926 5.150 1.00 0.00 C ATOM 193 C LEU A 17 7.740 -2.228 6.296 1.00 0.00 C ATOM 194 O LEU A 17 7.538 -3.386 6.663 1.00 0.00 O ATOM 195 CB LEU A 17 7.912 -1.719 3.854 1.00 0.00 C ATOM 196 CG LEU A 17 7.455 -0.281 3.600 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.651 0.621 3.338 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.481 -0.232 2.433 1.00 0.00 C ATOM 0 H LEU A 17 9.277 -3.940 5.059 1.00 0.00 H new ATOM 0 HA LEU A 17 9.244 -1.012 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.529 -2.042 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.035 -2.366 3.872 1.00 0.00 H new ATOM 0 HG LEU A 17 6.943 0.081 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.306 1.640 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.313 0.608 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.192 0.262 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.166 0.798 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.969 -0.613 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.610 -0.846 2.660 1.00 0.00 H new ATOM 210 N ARG A 18 7.149 -1.177 6.857 1.00 0.00 N ATOM 211 CA ARG A 18 6.210 -1.328 7.962 1.00 0.00 C ATOM 212 C ARG A 18 4.840 -0.772 7.587 1.00 0.00 C ATOM 213 O ARG A 18 4.723 0.073 6.700 1.00 0.00 O ATOM 214 CB ARG A 18 6.739 -0.616 9.208 1.00 0.00 C ATOM 215 CG ARG A 18 7.690 -1.465 10.036 1.00 0.00 C ATOM 216 CD ARG A 18 9.125 -1.326 9.554 1.00 0.00 C ATOM 217 NE ARG A 18 9.615 0.044 9.679 1.00 0.00 N ATOM 218 CZ ARG A 18 10.892 0.391 9.538 1.00 0.00 C ATOM 219 NH1 ARG A 18 11.811 -0.528 9.266 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.252 1.661 9.667 1.00 0.00 N ATOM 0 H ARG A 18 7.304 -0.212 6.564 1.00 0.00 H new ATOM 0 HA ARG A 18 6.105 -2.391 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.251 0.297 8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.896 -0.317 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.626 -1.168 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.387 -2.511 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.767 -1.994 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.189 -1.640 8.512 1.00 0.00 H new ATOM 0 HE ARG A 18 8.938 0.778 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.540 -1.506 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.788 -0.256 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.550 2.372 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.231 1.927 9.559 1.00 0.00 H new ATOM 234 N LEU A 19 3.805 -1.251 8.270 1.00 0.00 N ATOM 235 CA LEU A 19 2.443 -0.802 8.008 1.00 0.00 C ATOM 236 C LEU A 19 2.188 0.563 8.640 1.00 0.00 C ATOM 237 O LEU A 19 2.472 0.774 9.819 1.00 0.00 O ATOM 238 CB LEU A 19 1.435 -1.822 8.544 1.00 0.00 C ATOM 239 CG LEU A 19 1.461 -3.183 7.848 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.756 -4.230 8.696 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.820 -3.090 6.472 1.00 0.00 C ATOM 0 H LEU A 19 3.884 -1.950 9.009 1.00 0.00 H new ATOM 0 HA LEU A 19 2.319 -0.711 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.622 -1.971 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.433 -1.403 8.452 1.00 0.00 H new ATOM 0 HG LEU A 19 2.501 -3.486 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.785 -5.192 8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.258 -4.316 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.281 -3.933 8.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.847 -4.068 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.215 -2.765 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.368 -2.371 5.863 1.00 0.00 H new ATOM 253 N GLY A 20 1.651 1.484 7.848 1.00 0.00 N ATOM 254 CA GLY A 20 1.367 2.818 8.346 1.00 0.00 C ATOM 255 C GLY A 20 2.195 3.884 7.656 1.00 0.00 C ATOM 256 O GLY A 20 1.743 5.016 7.486 1.00 0.00 O ATOM 0 H GLY A 20 1.407 1.331 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.309 3.037 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.559 2.851 9.418 1.00 0.00 H new ATOM 260 N ASP A 21 3.410 3.521 7.259 1.00 0.00 N ATOM 261 CA ASP A 21 4.303 4.454 6.584 1.00 0.00 C ATOM 262 C ASP A 21 3.826 4.733 5.162 1.00 0.00 C ATOM 263 O ASP A 21 3.150 3.907 4.550 1.00 0.00 O ATOM 264 CB ASP A 21 5.729 3.900 6.557 1.00 0.00 C ATOM 265 CG ASP A 21 6.771 4.973 6.799 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.817 5.945 6.015 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.544 4.843 7.772 1.00 0.00 O ATOM 0 H ASP A 21 3.798 2.587 7.393 1.00 0.00 H new ATOM 0 HA ASP A 21 4.296 5.391 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.828 3.123 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.914 3.429 5.592 1.00 0.00 H new ATOM 272 N ARG A 22 4.183 5.903 4.642 1.00 0.00 N ATOM 273 CA ARG A 22 3.791 6.291 3.291 1.00 0.00 C ATOM 274 C ARG A 22 4.425 5.369 2.254 1.00 0.00 C ATOM 275 O ARG A 22 5.253 4.520 2.586 1.00 0.00 O ATOM 276 CB ARG A 22 4.196 7.740 3.017 1.00 0.00 C ATOM 277 CG ARG A 22 3.155 8.757 3.463 1.00 0.00 C ATOM 278 CD ARG A 22 3.592 9.488 4.723 1.00 0.00 C ATOM 279 NE ARG A 22 4.121 10.818 4.428 1.00 0.00 N ATOM 280 CZ ARG A 22 3.365 11.859 4.089 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.047 11.729 4.003 1.00 0.00 N ATOM 282 NH2 ARG A 22 3.927 13.033 3.837 1.00 0.00 N ATOM 0 H ARG A 22 4.743 6.599 5.135 1.00 0.00 H new ATOM 0 HA ARG A 22 2.707 6.203 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.137 7.948 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.377 7.862 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.984 9.478 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.206 8.252 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.745 9.577 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.353 8.901 5.237 1.00 0.00 H new ATOM 0 HE ARG A 22 5.130 10.956 4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.610 10.828 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.471 12.530 3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.939 13.138 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.347 13.831 3.577 1.00 0.00 H new ATOM 296 N VAL A 23 4.031 5.543 0.997 1.00 0.00 N ATOM 297 CA VAL A 23 4.560 4.727 -0.089 1.00 0.00 C ATOM 298 C VAL A 23 4.489 5.468 -1.419 1.00 0.00 C ATOM 299 O VAL A 23 3.530 6.194 -1.687 1.00 0.00 O ATOM 300 CB VAL A 23 3.795 3.396 -0.217 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.109 2.484 0.960 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.299 3.648 -0.322 1.00 0.00 C ATOM 0 H VAL A 23 3.347 6.242 0.705 1.00 0.00 H new ATOM 0 HA VAL A 23 5.602 4.518 0.153 1.00 0.00 H new ATOM 0 HB VAL A 23 4.121 2.897 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.560 1.549 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.179 2.276 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.814 2.973 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.775 2.696 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.954 4.169 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.094 4.259 -1.201 1.00 0.00 H new ATOM 312 N LEU A 24 5.508 5.282 -2.251 1.00 0.00 N ATOM 313 CA LEU A 24 5.561 5.933 -3.555 1.00 0.00 C ATOM 314 C LEU A 24 4.937 5.048 -4.629 1.00 0.00 C ATOM 315 O LEU A 24 5.447 3.969 -4.931 1.00 0.00 O ATOM 316 CB LEU A 24 7.009 6.262 -3.925 1.00 0.00 C ATOM 317 CG LEU A 24 7.184 7.011 -5.246 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.335 8.273 -5.262 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.650 7.349 -5.476 1.00 0.00 C ATOM 0 H LEU A 24 6.309 4.685 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 24 4.990 6.859 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.446 6.860 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.576 5.332 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 24 6.849 6.363 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.473 8.792 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.285 8.006 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.638 8.926 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.757 7.882 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.010 7.978 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.234 6.430 -5.510 1.00 0.00 H new ATOM 331 N LEU A 25 3.831 5.512 -5.201 1.00 0.00 N ATOM 332 CA LEU A 25 3.135 4.761 -6.239 1.00 0.00 C ATOM 333 C LEU A 25 3.390 5.367 -7.616 1.00 0.00 C ATOM 334 O LEU A 25 3.021 6.512 -7.880 1.00 0.00 O ATOM 335 CB LEU A 25 1.633 4.731 -5.953 1.00 0.00 C ATOM 336 CG LEU A 25 1.257 4.449 -4.497 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.228 4.688 -4.274 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.632 3.024 -4.117 1.00 0.00 C ATOM 0 H LEU A 25 3.398 6.404 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 25 3.521 3.742 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.204 5.690 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.173 3.971 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 25 1.815 5.134 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.477 4.482 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.469 5.725 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.804 4.028 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.358 2.840 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.101 2.324 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.706 2.886 -4.238 1.00 0.00 H new ATOM 350 N ASP A 26 4.020 4.590 -8.491 1.00 0.00 N ATOM 351 CA ASP A 26 4.323 5.045 -9.843 1.00 0.00 C ATOM 352 C ASP A 26 5.185 6.304 -9.820 1.00 0.00 C ATOM 353 O ASP A 26 5.157 7.103 -10.756 1.00 0.00 O ATOM 354 CB ASP A 26 3.029 5.315 -10.613 1.00 0.00 C ATOM 355 CG ASP A 26 2.545 4.098 -11.376 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.874 2.968 -10.960 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.838 4.276 -12.390 1.00 0.00 O ATOM 0 H ASP A 26 4.331 3.640 -8.287 1.00 0.00 H new ATOM 0 HA ASP A 26 4.882 4.256 -10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.255 5.635 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.189 6.137 -11.310 1.00 0.00 H new ATOM 362 N GLY A 27 5.952 6.475 -8.747 1.00 0.00 N ATOM 363 CA GLY A 27 6.812 7.639 -8.627 1.00 0.00 C ATOM 364 C GLY A 27 6.051 8.944 -8.767 1.00 0.00 C ATOM 365 O GLY A 27 6.625 9.969 -9.135 1.00 0.00 O ATOM 0 H GLY A 27 5.993 5.829 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.314 7.617 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.589 7.592 -9.390 1.00 0.00 H new ATOM 369 N GLN A 28 4.754 8.907 -8.476 1.00 0.00 N ATOM 370 CA GLN A 28 3.915 10.096 -8.572 1.00 0.00 C ATOM 371 C GLN A 28 2.829 10.082 -7.501 1.00 0.00 C ATOM 372 O GLN A 28 2.751 10.986 -6.670 1.00 0.00 O ATOM 373 CB GLN A 28 3.279 10.185 -9.960 1.00 0.00 C ATOM 374 CG GLN A 28 4.173 10.842 -10.999 1.00 0.00 C ATOM 375 CD GLN A 28 3.862 12.313 -11.190 1.00 0.00 C ATOM 376 OE1 GLN A 28 4.457 13.175 -10.541 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.926 12.608 -12.084 1.00 0.00 N ATOM 0 H GLN A 28 4.262 8.067 -8.172 1.00 0.00 H new ATOM 0 HA GLN A 28 4.546 10.971 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.022 9.181 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.347 10.746 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.215 10.731 -10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.059 10.324 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.459 11.861 -12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.674 13.581 -12.256 1.00 0.00 H new ATOM 386 N LYS A 29 1.991 9.051 -7.530 1.00 0.00 N ATOM 387 CA LYS A 29 0.909 8.919 -6.562 1.00 0.00 C ATOM 388 C LYS A 29 1.453 8.561 -5.183 1.00 0.00 C ATOM 389 O LYS A 29 2.155 7.563 -5.021 1.00 0.00 O ATOM 390 CB LYS A 29 -0.087 7.852 -7.022 1.00 0.00 C ATOM 391 CG LYS A 29 -1.119 8.370 -8.012 1.00 0.00 C ATOM 392 CD LYS A 29 -0.854 7.855 -9.419 1.00 0.00 C ATOM 393 CE LYS A 29 -0.171 8.906 -10.277 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.333 8.629 -11.731 1.00 0.00 N ATOM 0 H LYS A 29 2.041 8.295 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 29 0.398 9.879 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.461 7.028 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.602 7.448 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.115 8.063 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.106 9.460 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.230 6.963 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.795 7.560 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.585 9.888 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.890 8.942 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.148 9.369 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.085 7.704 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.345 8.620 -11.972 1.00 0.00 H new ATOM 408 N THR A 30 1.125 9.383 -4.192 1.00 0.00 N ATOM 409 CA THR A 30 1.580 9.153 -2.826 1.00 0.00 C ATOM 410 C THR A 30 0.458 8.576 -1.969 1.00 0.00 C ATOM 411 O THR A 30 -0.582 9.208 -1.783 1.00 0.00 O ATOM 412 CB THR A 30 2.091 10.458 -2.210 1.00 0.00 C ATOM 413 OG1 THR A 30 1.457 11.576 -2.805 1.00 0.00 O ATOM 414 CG2 THR A 30 3.585 10.644 -2.360 1.00 0.00 C ATOM 0 H THR A 30 0.546 10.214 -4.309 1.00 0.00 H new ATOM 0 HA THR A 30 2.396 8.431 -2.857 1.00 0.00 H new ATOM 0 HB THR A 30 1.854 10.389 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.796 12.400 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.882 11.588 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.105 9.822 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.846 10.656 -3.418 1.00 0.00 H new ATOM 422 N GLY A 31 0.677 7.372 -1.449 1.00 0.00 N ATOM 423 CA GLY A 31 -0.325 6.731 -0.619 1.00 0.00 C ATOM 424 C GLY A 31 0.241 6.237 0.698 1.00 0.00 C ATOM 425 O GLY A 31 1.375 6.560 1.053 1.00 0.00 O ATOM 0 H GLY A 31 1.530 6.830 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.133 7.435 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.759 5.891 -1.162 1.00 0.00 H new ATOM 429 N THR A 32 -0.550 5.454 1.423 1.00 0.00 N ATOM 430 CA THR A 32 -0.122 4.915 2.709 1.00 0.00 C ATOM 431 C THR A 32 -0.380 3.414 2.783 1.00 0.00 C ATOM 432 O THR A 32 -1.501 2.955 2.560 1.00 0.00 O ATOM 433 CB THR A 32 -0.850 5.627 3.851 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.171 6.958 3.489 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.044 5.682 5.132 1.00 0.00 C ATOM 0 H THR A 32 -1.491 5.178 1.142 1.00 0.00 H new ATOM 0 HA THR A 32 0.950 5.086 2.808 1.00 0.00 H new ATOM 0 HB THR A 32 -1.750 5.039 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.637 7.396 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.618 6.200 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.178 4.668 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.888 6.218 4.953 1.00 0.00 H new ATOM 443 N LEU A 33 0.664 2.654 3.099 1.00 0.00 N ATOM 444 CA LEU A 33 0.549 1.204 3.202 1.00 0.00 C ATOM 445 C LEU A 33 -0.426 0.813 4.309 1.00 0.00 C ATOM 446 O LEU A 33 -0.434 1.412 5.383 1.00 0.00 O ATOM 447 CB LEU A 33 1.920 0.581 3.472 1.00 0.00 C ATOM 448 CG LEU A 33 1.961 -0.947 3.402 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.761 -1.421 1.971 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.277 -1.469 3.960 1.00 0.00 C ATOM 0 H LEU A 33 1.598 3.018 3.288 1.00 0.00 H new ATOM 0 HA LEU A 33 0.166 0.827 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.633 0.982 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.256 0.894 4.461 1.00 0.00 H new ATOM 0 HG LEU A 33 1.148 -1.343 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.793 -2.510 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.794 -1.076 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.553 -1.017 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.290 -2.557 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.105 -1.065 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.380 -1.159 5.000 1.00 0.00 H new ATOM 462 N ARG A 34 -1.248 -0.196 4.036 1.00 0.00 N ATOM 463 CA ARG A 34 -2.228 -0.667 5.007 1.00 0.00 C ATOM 464 C ARG A 34 -2.188 -2.187 5.126 1.00 0.00 C ATOM 465 O ARG A 34 -2.176 -2.733 6.229 1.00 0.00 O ATOM 466 CB ARG A 34 -3.633 -0.212 4.608 1.00 0.00 C ATOM 467 CG ARG A 34 -3.902 1.256 4.897 1.00 0.00 C ATOM 468 CD ARG A 34 -4.673 1.440 6.195 1.00 0.00 C ATOM 469 NE ARG A 34 -3.877 2.121 7.213 1.00 0.00 N ATOM 470 CZ ARG A 34 -3.561 3.412 7.166 1.00 0.00 C ATOM 471 NH1 ARG A 34 -3.970 4.166 6.154 1.00 0.00 N ATOM 472 NH2 ARG A 34 -2.833 3.952 8.134 1.00 0.00 N ATOM 0 H ARG A 34 -1.254 -0.702 3.151 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.977 -0.237 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.777 -0.396 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.367 -0.819 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.956 1.795 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.467 1.692 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.579 2.013 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.987 0.466 6.571 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.544 1.574 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.530 3.756 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.724 5.156 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.515 3.377 8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.591 4.942 8.098 1.00 0.00 H new ATOM 486 N PHE A 35 -2.167 -2.865 3.983 1.00 0.00 N ATOM 487 CA PHE A 35 -2.128 -4.323 3.960 1.00 0.00 C ATOM 488 C PHE A 35 -1.020 -4.823 3.039 1.00 0.00 C ATOM 489 O PHE A 35 -0.555 -4.097 2.160 1.00 0.00 O ATOM 490 CB PHE A 35 -3.478 -4.881 3.504 1.00 0.00 C ATOM 491 CG PHE A 35 -3.535 -6.383 3.499 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.634 -7.090 4.686 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.489 -7.086 2.306 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.688 -8.470 4.684 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.542 -8.468 2.297 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.641 -9.161 3.488 1.00 0.00 C ATOM 0 H PHE A 35 -2.176 -2.429 3.061 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.920 -4.673 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.261 -4.498 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.694 -4.514 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.669 -6.556 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.411 -6.549 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.767 -9.009 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.506 -9.005 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.682 -10.240 3.484 1.00 0.00 H new ATOM 506 N CYS A 36 -0.603 -6.068 3.246 1.00 0.00 N ATOM 507 CA CYS A 36 0.451 -6.666 2.433 1.00 0.00 C ATOM 508 C CYS A 36 0.355 -8.187 2.454 1.00 0.00 C ATOM 509 O CYS A 36 -0.028 -8.782 3.461 1.00 0.00 O ATOM 510 CB CYS A 36 1.825 -6.223 2.937 1.00 0.00 C ATOM 511 SG CYS A 36 3.209 -6.875 1.972 1.00 0.00 S ATOM 0 H CYS A 36 -0.978 -6.682 3.969 1.00 0.00 H new ATOM 0 HA CYS A 36 0.322 -6.326 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.870 -5.134 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.939 -6.538 3.974 1.00 0.00 H new ATOM 0 HG CYS A 36 4.275 -6.170 2.210 1.00 0.00 H new ATOM 517 N GLY A 37 0.705 -8.812 1.333 1.00 0.00 N ATOM 518 CA GLY A 37 0.652 -10.260 1.244 1.00 0.00 C ATOM 519 C GLY A 37 -0.182 -10.739 0.072 1.00 0.00 C ATOM 520 O GLY A 37 -0.066 -10.214 -1.036 1.00 0.00 O ATOM 0 H GLY A 37 1.024 -8.342 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.665 -10.652 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.239 -10.663 2.169 1.00 0.00 H new ATOM 524 N THR A 38 -1.025 -11.736 0.316 1.00 0.00 N ATOM 525 CA THR A 38 -1.882 -12.286 -0.728 1.00 0.00 C ATOM 526 C THR A 38 -3.297 -11.728 -0.619 1.00 0.00 C ATOM 527 O THR A 38 -3.625 -11.021 0.334 1.00 0.00 O ATOM 528 CB THR A 38 -1.914 -13.813 -0.638 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.710 -14.242 0.696 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.870 -14.486 -1.503 1.00 0.00 C ATOM 0 H THR A 38 -1.133 -12.180 1.228 1.00 0.00 H new ATOM 0 HA THR A 38 -1.470 -11.995 -1.694 1.00 0.00 H new ATOM 0 HB THR A 38 -2.901 -14.102 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.736 -15.221 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.948 -15.568 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.033 -14.216 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.123 -14.160 -1.194 1.00 0.00 H new ATOM 538 N THR A 39 -4.131 -12.050 -1.602 1.00 0.00 N ATOM 539 CA THR A 39 -5.513 -11.582 -1.618 1.00 0.00 C ATOM 540 C THR A 39 -6.472 -12.727 -1.917 1.00 0.00 C ATOM 541 O THR A 39 -6.055 -13.875 -2.075 1.00 0.00 O ATOM 542 CB THR A 39 -5.683 -10.470 -2.655 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.700 -10.577 -3.670 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.585 -9.081 -2.066 1.00 0.00 C ATOM 0 H THR A 39 -3.874 -12.633 -2.398 1.00 0.00 H new ATOM 0 HA THR A 39 -5.749 -11.186 -0.630 1.00 0.00 H new ATOM 0 HB THR A 39 -6.686 -10.604 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.107 -10.943 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.715 -8.341 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.363 -8.949 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.607 -8.950 -1.603 1.00 0.00 H new ATOM 552 N GLU A 40 -7.761 -12.409 -1.994 1.00 0.00 N ATOM 553 CA GLU A 40 -8.781 -13.413 -2.274 1.00 0.00 C ATOM 554 C GLU A 40 -9.354 -13.230 -3.676 1.00 0.00 C ATOM 555 O GLU A 40 -9.711 -14.203 -4.343 1.00 0.00 O ATOM 556 CB GLU A 40 -9.903 -13.333 -1.237 1.00 0.00 C ATOM 557 CG GLU A 40 -10.880 -14.495 -1.307 1.00 0.00 C ATOM 558 CD GLU A 40 -12.322 -14.056 -1.139 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.697 -13.671 -0.012 1.00 0.00 O ATOM 560 OE2 GLU A 40 -13.075 -14.098 -2.134 1.00 0.00 O ATOM 0 H GLU A 40 -8.123 -11.464 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.313 -14.396 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.463 -13.298 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.450 -12.400 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.768 -15.002 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.632 -15.220 -0.532 1.00 0.00 H new ATOM 567 N PHE A 41 -9.442 -11.980 -4.117 1.00 0.00 N ATOM 568 CA PHE A 41 -9.973 -11.671 -5.439 1.00 0.00 C ATOM 569 C PHE A 41 -8.883 -11.767 -6.503 1.00 0.00 C ATOM 570 O PHE A 41 -9.158 -12.081 -7.661 1.00 0.00 O ATOM 571 CB PHE A 41 -10.590 -10.272 -5.450 1.00 0.00 C ATOM 572 CG PHE A 41 -9.689 -9.213 -4.879 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.613 -8.733 -5.607 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.920 -8.700 -3.613 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.783 -7.760 -5.085 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.093 -7.726 -3.084 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.023 -7.256 -3.821 1.00 0.00 C ATOM 0 H PHE A 41 -9.152 -11.164 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.746 -12.404 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.846 -10.005 -6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.521 -10.290 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.420 -9.124 -6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.755 -9.065 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.948 -7.394 -5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.283 -7.333 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.375 -6.496 -3.410 1.00 0.00 H new ATOM 587 N ALA A 42 -7.645 -11.495 -6.103 1.00 0.00 N ATOM 588 CA ALA A 42 -6.515 -11.551 -7.021 1.00 0.00 C ATOM 589 C ALA A 42 -5.448 -12.516 -6.518 1.00 0.00 C ATOM 590 O ALA A 42 -4.897 -12.337 -5.433 1.00 0.00 O ATOM 591 CB ALA A 42 -5.924 -10.163 -7.217 1.00 0.00 C ATOM 0 H ALA A 42 -7.400 -11.233 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.877 -11.918 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.081 -10.220 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.684 -9.499 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.583 -9.774 -6.258 1.00 0.00 H new ATOM 597 N SER A 43 -5.161 -13.541 -7.315 1.00 0.00 N ATOM 598 CA SER A 43 -4.160 -14.535 -6.949 1.00 0.00 C ATOM 599 C SER A 43 -2.751 -13.998 -7.178 1.00 0.00 C ATOM 600 O SER A 43 -2.310 -13.850 -8.318 1.00 0.00 O ATOM 601 CB SER A 43 -4.370 -15.820 -7.754 1.00 0.00 C ATOM 602 OG SER A 43 -4.351 -16.959 -6.910 1.00 0.00 O ATOM 0 H SER A 43 -5.608 -13.704 -8.217 1.00 0.00 H new ATOM 0 HA SER A 43 -4.274 -14.758 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.322 -15.771 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.590 -15.911 -8.510 1.00 0.00 H new ATOM 0 HG SER A 43 -4.489 -17.767 -7.447 1.00 0.00 H new ATOM 608 N GLY A 44 -2.049 -13.709 -6.087 1.00 0.00 N ATOM 609 CA GLY A 44 -0.697 -13.191 -6.190 1.00 0.00 C ATOM 610 C GLY A 44 -0.329 -12.293 -5.027 1.00 0.00 C ATOM 611 O GLY A 44 -0.973 -12.329 -3.979 1.00 0.00 O ATOM 0 H GLY A 44 -2.392 -13.824 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.005 -14.024 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.595 -12.634 -7.121 1.00 0.00 H new ATOM 615 N GLN A 45 0.710 -11.484 -5.211 1.00 0.00 N ATOM 616 CA GLN A 45 1.162 -10.572 -4.166 1.00 0.00 C ATOM 617 C GLN A 45 0.576 -9.179 -4.369 1.00 0.00 C ATOM 618 O GLN A 45 0.690 -8.597 -5.447 1.00 0.00 O ATOM 619 CB GLN A 45 2.690 -10.497 -4.154 1.00 0.00 C ATOM 620 CG GLN A 45 3.360 -11.801 -3.750 1.00 0.00 C ATOM 621 CD GLN A 45 3.660 -12.693 -4.938 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.229 -13.845 -4.989 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.405 -12.165 -5.903 1.00 0.00 N ATOM 0 H GLN A 45 1.254 -11.441 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 45 0.815 -10.956 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.039 -10.211 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.002 -9.710 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.288 -11.580 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.716 -12.336 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.742 -11.206 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.640 -12.719 -6.727 1.00 0.00 H new ATOM 632 N TRP A 46 -0.054 -8.651 -3.325 1.00 0.00 N ATOM 633 CA TRP A 46 -0.659 -7.326 -3.387 1.00 0.00 C ATOM 634 C TRP A 46 -0.548 -6.612 -2.044 1.00 0.00 C ATOM 635 O TRP A 46 -0.316 -7.243 -1.012 1.00 0.00 O ATOM 636 CB TRP A 46 -2.129 -7.433 -3.800 1.00 0.00 C ATOM 637 CG TRP A 46 -2.316 -7.863 -5.222 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.208 -9.131 -5.717 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.644 -7.024 -6.337 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.449 -9.132 -7.070 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.719 -7.850 -7.474 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.881 -5.654 -6.483 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.021 -7.353 -8.739 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.182 -5.161 -7.739 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.249 -6.008 -8.852 1.00 0.00 C ATOM 0 H TRP A 46 -0.159 -9.121 -2.426 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.119 -6.743 -4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.633 -8.143 -3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.611 -6.467 -3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.968 -10.006 -5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.430 -9.953 -7.675 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.830 -4.993 -5.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.073 -8.004 -9.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.369 -4.105 -7.864 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.486 -5.591 -9.820 1.00 0.00 H new ATOM 656 N VAL A 47 -0.715 -5.294 -2.065 1.00 0.00 N ATOM 657 CA VAL A 47 -0.634 -4.493 -0.848 1.00 0.00 C ATOM 658 C VAL A 47 -1.673 -3.378 -0.855 1.00 0.00 C ATOM 659 O VAL A 47 -1.791 -2.631 -1.826 1.00 0.00 O ATOM 660 CB VAL A 47 0.766 -3.873 -0.674 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.758 -4.919 -0.188 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.236 -3.242 -1.975 1.00 0.00 C ATOM 0 H VAL A 47 -0.907 -4.757 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.831 -5.166 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 47 0.705 -3.089 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.741 -4.462 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.427 -5.317 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.819 -5.729 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.226 -2.809 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.281 -4.004 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.538 -2.460 -2.273 1.00 0.00 H new ATOM 672 N GLY A 48 -2.425 -3.269 0.236 1.00 0.00 N ATOM 673 CA GLY A 48 -3.444 -2.241 0.335 1.00 0.00 C ATOM 674 C GLY A 48 -2.861 -0.878 0.650 1.00 0.00 C ATOM 675 O GLY A 48 -2.195 -0.701 1.670 1.00 0.00 O ATOM 0 H GLY A 48 -2.346 -3.875 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.996 -2.189 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.159 -2.515 1.111 1.00 0.00 H new ATOM 679 N VAL A 49 -3.111 0.088 -0.228 1.00 0.00 N ATOM 680 CA VAL A 49 -2.605 1.442 -0.038 1.00 0.00 C ATOM 681 C VAL A 49 -3.723 2.471 -0.177 1.00 0.00 C ATOM 682 O VAL A 49 -4.651 2.292 -0.965 1.00 0.00 O ATOM 683 CB VAL A 49 -1.492 1.773 -1.049 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.842 3.105 -0.712 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.456 0.659 -1.085 1.00 0.00 C ATOM 0 H VAL A 49 -3.661 -0.042 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.195 1.487 0.971 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.939 1.855 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.058 3.321 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.593 3.894 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.408 3.056 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.323 0.910 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.012 0.542 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.936 -0.274 -1.380 1.00 0.00 H new ATOM 695 N GLU A 50 -3.624 3.549 0.593 1.00 0.00 N ATOM 696 CA GLU A 50 -4.626 4.609 0.555 1.00 0.00 C ATOM 697 C GLU A 50 -4.111 5.816 -0.223 1.00 0.00 C ATOM 698 O GLU A 50 -2.989 6.274 -0.006 1.00 0.00 O ATOM 699 CB GLU A 50 -5.008 5.029 1.975 1.00 0.00 C ATOM 700 CG GLU A 50 -6.293 5.838 2.046 1.00 0.00 C ATOM 701 CD GLU A 50 -6.399 6.654 3.319 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.529 7.523 3.542 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.351 6.424 4.093 1.00 0.00 O ATOM 0 H GLU A 50 -2.861 3.712 1.250 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.510 4.222 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.116 4.137 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.195 5.616 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.346 6.505 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.147 5.164 1.979 1.00 0.00 H new ATOM 710 N LEU A 51 -4.937 6.324 -1.131 1.00 0.00 N ATOM 711 CA LEU A 51 -4.563 7.478 -1.942 1.00 0.00 C ATOM 712 C LEU A 51 -4.737 8.775 -1.158 1.00 0.00 C ATOM 713 O LEU A 51 -5.854 9.151 -0.801 1.00 0.00 O ATOM 714 CB LEU A 51 -5.405 7.523 -3.219 1.00 0.00 C ATOM 715 CG LEU A 51 -5.199 6.345 -4.172 1.00 0.00 C ATOM 716 CD1 LEU A 51 -6.061 6.506 -5.415 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.732 6.218 -4.551 1.00 0.00 C ATOM 0 H LEU A 51 -5.868 5.956 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.512 7.377 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.458 7.565 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.179 8.446 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.503 5.431 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.901 5.658 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.111 6.547 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.789 7.428 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.603 5.375 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.403 7.133 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.137 6.055 -3.652 1.00 0.00 H new ATOM 729 N ASP A 52 -3.626 9.454 -0.894 1.00 0.00 N ATOM 730 CA ASP A 52 -3.656 10.710 -0.153 1.00 0.00 C ATOM 731 C ASP A 52 -4.498 11.752 -0.882 1.00 0.00 C ATOM 732 O ASP A 52 -5.199 12.547 -0.257 1.00 0.00 O ATOM 733 CB ASP A 52 -2.235 11.238 0.052 1.00 0.00 C ATOM 734 CG ASP A 52 -2.188 12.408 1.017 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.524 13.535 0.599 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.816 12.195 2.190 1.00 0.00 O ATOM 0 H ASP A 52 -2.694 9.156 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.110 10.519 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.602 10.434 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.822 11.546 -0.909 1.00 0.00 H new ATOM 741 N GLU A 53 -4.424 11.741 -2.209 1.00 0.00 N ATOM 742 CA GLU A 53 -5.181 12.684 -3.025 1.00 0.00 C ATOM 743 C GLU A 53 -6.656 12.293 -3.084 1.00 0.00 C ATOM 744 O GLU A 53 -7.013 11.146 -2.814 1.00 0.00 O ATOM 745 CB GLU A 53 -4.601 12.747 -4.439 1.00 0.00 C ATOM 746 CG GLU A 53 -3.425 13.700 -4.572 1.00 0.00 C ATOM 747 CD GLU A 53 -2.505 13.334 -5.721 1.00 0.00 C ATOM 748 OE1 GLU A 53 -3.007 12.820 -6.742 1.00 0.00 O ATOM 749 OE2 GLU A 53 -1.283 13.561 -5.598 1.00 0.00 O ATOM 0 H GLU A 53 -3.848 11.090 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.103 13.668 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.284 11.748 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.386 13.052 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.798 14.714 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.856 13.701 -3.642 1.00 0.00 H new ATOM 756 N PRO A 54 -7.534 13.245 -3.439 1.00 0.00 N ATOM 757 CA PRO A 54 -8.976 12.994 -3.531 1.00 0.00 C ATOM 758 C PRO A 54 -9.331 12.081 -4.701 1.00 0.00 C ATOM 759 O PRO A 54 -10.029 12.487 -5.631 1.00 0.00 O ATOM 760 CB PRO A 54 -9.569 14.390 -3.741 1.00 0.00 C ATOM 761 CG PRO A 54 -8.468 15.179 -4.360 1.00 0.00 C ATOM 762 CD PRO A 54 -7.192 14.640 -3.778 1.00 0.00 C ATOM 0 HA PRO A 54 -9.358 12.484 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.444 14.355 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.889 14.830 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.476 15.075 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.578 16.241 -4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.371 14.690 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.882 15.203 -2.898 1.00 0.00 H new ATOM 770 N GLU A 55 -8.844 10.845 -4.647 1.00 0.00 N ATOM 771 CA GLU A 55 -9.110 9.873 -5.702 1.00 0.00 C ATOM 772 C GLU A 55 -9.104 8.453 -5.147 1.00 0.00 C ATOM 773 O GLU A 55 -8.223 8.083 -4.369 1.00 0.00 O ATOM 774 CB GLU A 55 -8.071 10.002 -6.817 1.00 0.00 C ATOM 775 CG GLU A 55 -8.137 11.326 -7.560 1.00 0.00 C ATOM 776 CD GLU A 55 -7.035 11.473 -8.590 1.00 0.00 C ATOM 777 OE1 GLU A 55 -5.935 11.936 -8.221 1.00 0.00 O ATOM 778 OE2 GLU A 55 -7.271 11.125 -9.766 1.00 0.00 O ATOM 0 H GLU A 55 -8.264 10.493 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.099 10.080 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.075 9.884 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.211 9.188 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.105 11.413 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.070 12.144 -6.843 1.00 0.00 H new ATOM 785 N GLY A 56 -10.092 7.661 -5.550 1.00 0.00 N ATOM 786 CA GLY A 56 -10.182 6.289 -5.083 1.00 0.00 C ATOM 787 C GLY A 56 -11.397 5.568 -5.631 1.00 0.00 C ATOM 788 O GLY A 56 -12.308 6.194 -6.171 1.00 0.00 O ATOM 0 H GLY A 56 -10.832 7.944 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.281 5.749 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.219 6.281 -3.994 1.00 0.00 H new ATOM 792 N LYS A 57 -11.412 4.246 -5.491 1.00 0.00 N ATOM 793 CA LYS A 57 -12.525 3.438 -5.975 1.00 0.00 C ATOM 794 C LYS A 57 -13.114 2.593 -4.850 1.00 0.00 C ATOM 795 O LYS A 57 -14.312 2.655 -4.575 1.00 0.00 O ATOM 796 CB LYS A 57 -12.064 2.534 -7.120 1.00 0.00 C ATOM 797 CG LYS A 57 -12.201 3.175 -8.492 1.00 0.00 C ATOM 798 CD LYS A 57 -11.056 2.776 -9.411 1.00 0.00 C ATOM 799 CE LYS A 57 -10.730 3.877 -10.407 1.00 0.00 C ATOM 800 NZ LYS A 57 -10.983 3.449 -11.811 1.00 0.00 N ATOM 0 H LYS A 57 -10.666 3.712 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.299 4.112 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.022 2.260 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.643 1.611 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.149 2.878 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.224 4.260 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.172 2.550 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.320 1.865 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.330 4.759 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.685 4.167 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.748 4.228 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.392 2.623 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.986 3.197 -11.922 1.00 0.00 H new ATOM 814 N ASN A 58 -12.263 1.802 -4.203 1.00 0.00 N ATOM 815 CA ASN A 58 -12.699 0.945 -3.107 1.00 0.00 C ATOM 816 C ASN A 58 -12.664 1.696 -1.781 1.00 0.00 C ATOM 817 O ASN A 58 -11.832 2.580 -1.580 1.00 0.00 O ATOM 818 CB ASN A 58 -11.816 -0.302 -3.026 1.00 0.00 C ATOM 819 CG ASN A 58 -11.883 -1.143 -4.285 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.966 -1.500 -4.750 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.723 -1.465 -4.845 1.00 0.00 N ATOM 0 H ASN A 58 -11.268 1.737 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.727 0.641 -3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.783 -0.001 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.123 -0.906 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.706 -2.030 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.849 -1.148 -4.426 1.00 0.00 H new ATOM 828 N ASP A 59 -13.573 1.337 -0.880 1.00 0.00 N ATOM 829 CA ASP A 59 -13.645 1.979 0.429 1.00 0.00 C ATOM 830 C ASP A 59 -12.984 1.114 1.497 1.00 0.00 C ATOM 831 O ASP A 59 -13.366 1.156 2.667 1.00 0.00 O ATOM 832 CB ASP A 59 -15.103 2.250 0.807 1.00 0.00 C ATOM 833 CG ASP A 59 -15.738 3.315 -0.067 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.410 3.368 -1.271 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.564 4.094 0.454 1.00 0.00 O ATOM 0 H ASP A 59 -14.269 0.607 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.109 2.926 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.675 1.326 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.153 2.562 1.850 1.00 0.00 H new ATOM 840 N GLY A 60 -11.990 0.331 1.089 1.00 0.00 N ATOM 841 CA GLY A 60 -11.293 -0.531 2.025 1.00 0.00 C ATOM 842 C GLY A 60 -11.854 -1.939 2.047 1.00 0.00 C ATOM 843 O GLY A 60 -11.105 -2.910 2.158 1.00 0.00 O ATOM 0 H GLY A 60 -11.655 0.278 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.236 -0.569 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.357 -0.102 3.025 1.00 0.00 H new ATOM 847 N SER A 61 -13.173 -2.051 1.941 1.00 0.00 N ATOM 848 CA SER A 61 -13.833 -3.352 1.950 1.00 0.00 C ATOM 849 C SER A 61 -14.083 -3.846 0.529 1.00 0.00 C ATOM 850 O SER A 61 -14.571 -3.101 -0.320 1.00 0.00 O ATOM 851 CB SER A 61 -15.156 -3.271 2.714 1.00 0.00 C ATOM 852 OG SER A 61 -15.814 -2.041 2.466 1.00 0.00 O ATOM 0 H SER A 61 -13.807 -1.257 1.848 1.00 0.00 H new ATOM 0 HA SER A 61 -13.174 -4.061 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.801 -4.098 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.970 -3.378 3.783 1.00 0.00 H new ATOM 0 HG SER A 61 -16.657 -2.015 2.964 1.00 0.00 H new ATOM 858 N VAL A 62 -13.744 -5.107 0.279 1.00 0.00 N ATOM 859 CA VAL A 62 -13.932 -5.700 -1.039 1.00 0.00 C ATOM 860 C VAL A 62 -14.202 -7.198 -0.934 1.00 0.00 C ATOM 861 O VAL A 62 -13.500 -7.916 -0.223 1.00 0.00 O ATOM 862 CB VAL A 62 -12.702 -5.474 -1.939 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.991 -5.925 -3.362 1.00 0.00 C ATOM 864 CG2 VAL A 62 -12.281 -4.013 -1.909 1.00 0.00 C ATOM 0 H VAL A 62 -13.338 -5.737 0.971 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.795 -5.207 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.877 -6.074 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.111 -5.758 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.240 -6.986 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.830 -5.355 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.411 -3.872 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.101 -3.391 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.029 -3.728 -0.888 1.00 0.00 H new ATOM 874 N GLY A 63 -15.224 -7.660 -1.648 1.00 0.00 N ATOM 875 CA GLY A 63 -15.569 -9.070 -1.621 1.00 0.00 C ATOM 876 C GLY A 63 -15.919 -9.558 -0.228 1.00 0.00 C ATOM 877 O GLY A 63 -15.814 -10.749 0.062 1.00 0.00 O ATOM 0 H GLY A 63 -15.819 -7.084 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.414 -9.246 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.732 -9.653 -2.007 1.00 0.00 H new ATOM 881 N GLY A 64 -16.336 -8.637 0.635 1.00 0.00 N ATOM 882 CA GLY A 64 -16.696 -9.003 1.992 1.00 0.00 C ATOM 883 C GLY A 64 -15.557 -8.800 2.972 1.00 0.00 C ATOM 884 O GLY A 64 -15.783 -8.502 4.145 1.00 0.00 O ATOM 0 H GLY A 64 -16.431 -7.645 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.553 -8.409 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.006 -10.048 2.013 1.00 0.00 H new ATOM 888 N VAL A 65 -14.329 -8.962 2.491 1.00 0.00 N ATOM 889 CA VAL A 65 -13.150 -8.796 3.333 1.00 0.00 C ATOM 890 C VAL A 65 -12.820 -7.320 3.531 1.00 0.00 C ATOM 891 O VAL A 65 -13.118 -6.487 2.675 1.00 0.00 O ATOM 892 CB VAL A 65 -11.924 -9.511 2.733 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.748 -9.460 3.699 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.265 -10.949 2.374 1.00 0.00 C ATOM 0 H VAL A 65 -14.124 -9.208 1.523 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.385 -9.245 4.298 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.637 -8.991 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.892 -9.970 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.487 -8.421 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.022 -9.952 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.386 -11.437 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.581 -11.483 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.073 -10.960 1.642 1.00 0.00 H new ATOM 904 N ARG A 66 -12.200 -7.005 4.663 1.00 0.00 N ATOM 905 CA ARG A 66 -11.825 -5.629 4.973 1.00 0.00 C ATOM 906 C ARG A 66 -10.334 -5.526 5.273 1.00 0.00 C ATOM 907 O ARG A 66 -9.781 -6.337 6.016 1.00 0.00 O ATOM 908 CB ARG A 66 -12.634 -5.117 6.167 1.00 0.00 C ATOM 909 CG ARG A 66 -12.346 -3.666 6.518 1.00 0.00 C ATOM 910 CD ARG A 66 -13.326 -3.138 7.553 1.00 0.00 C ATOM 911 NE ARG A 66 -13.297 -3.923 8.785 1.00 0.00 N ATOM 912 CZ ARG A 66 -13.887 -3.546 9.917 1.00 0.00 C ATOM 913 NH1 ARG A 66 -14.552 -2.399 9.978 1.00 0.00 N ATOM 914 NH2 ARG A 66 -13.813 -4.319 10.991 1.00 0.00 N ATOM 0 H ARG A 66 -11.946 -7.683 5.381 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.045 -5.013 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.696 -5.226 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.421 -5.741 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.329 -3.578 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.402 -3.055 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.089 -2.099 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.334 -3.152 7.138 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.796 -4.811 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.613 -1.801 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.002 -2.116 10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.304 -5.202 10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.265 -4.031 11.859 1.00 0.00 H new ATOM 928 N TYR A 67 -9.686 -4.523 4.688 1.00 0.00 N ATOM 929 CA TYR A 67 -8.256 -4.314 4.893 1.00 0.00 C ATOM 930 C TYR A 67 -8.000 -3.033 5.679 1.00 0.00 C ATOM 931 O TYR A 67 -7.102 -2.979 6.520 1.00 0.00 O ATOM 932 CB TYR A 67 -7.532 -4.255 3.546 1.00 0.00 C ATOM 933 CG TYR A 67 -7.870 -5.405 2.624 1.00 0.00 C ATOM 934 CD1 TYR A 67 -7.140 -6.585 2.659 1.00 0.00 C ATOM 935 CD2 TYR A 67 -8.920 -5.308 1.719 1.00 0.00 C ATOM 936 CE1 TYR A 67 -7.446 -7.638 1.818 1.00 0.00 C ATOM 937 CE2 TYR A 67 -9.232 -6.356 0.875 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.493 -7.518 0.928 1.00 0.00 C ATOM 939 OH TYR A 67 -8.800 -8.564 0.088 1.00 0.00 O ATOM 0 H TYR A 67 -10.127 -3.843 4.069 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.869 -5.154 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.782 -3.317 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.456 -4.246 3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.320 -6.682 3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.501 -4.399 1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.869 -8.550 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.051 -6.265 0.177 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.689 -8.423 -0.299 1.00 0.00 H new ATOM 949 N PHE A 68 -8.793 -2.004 5.400 1.00 0.00 N ATOM 950 CA PHE A 68 -8.651 -0.723 6.082 1.00 0.00 C ATOM 951 C PHE A 68 -9.893 0.139 5.885 1.00 0.00 C ATOM 952 O PHE A 68 -10.837 -0.260 5.203 1.00 0.00 O ATOM 953 CB PHE A 68 -7.416 0.017 5.567 1.00 0.00 C ATOM 954 CG PHE A 68 -7.422 0.235 4.082 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.874 -0.708 3.228 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.976 1.383 3.538 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.879 -0.511 1.860 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.984 1.586 2.171 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.433 0.637 1.331 1.00 0.00 C ATOM 0 H PHE A 68 -9.540 -2.032 4.707 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.532 -0.918 7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.347 0.983 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.524 -0.548 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.438 -1.608 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.407 2.128 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.450 -1.255 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.420 2.485 1.760 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.436 0.793 0.262 1.00 0.00 H new ATOM 969 N ILE A 69 -9.887 1.324 6.489 1.00 0.00 N ATOM 970 CA ILE A 69 -11.013 2.243 6.380 1.00 0.00 C ATOM 971 C ILE A 69 -10.554 3.620 5.912 1.00 0.00 C ATOM 972 O ILE A 69 -9.818 4.312 6.615 1.00 0.00 O ATOM 973 CB ILE A 69 -11.751 2.391 7.725 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.067 1.015 8.313 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.026 3.201 7.545 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.335 1.041 9.802 1.00 0.00 C ATOM 0 H ILE A 69 -9.115 1.669 7.059 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.696 1.820 5.644 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.102 2.922 8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.937 0.602 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.232 0.343 8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.535 3.296 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.777 4.192 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.681 2.696 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.552 0.031 10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.458 1.424 10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.189 1.687 10.007 1.00 0.00 H new ATOM 988 N CYS A 70 -10.993 4.011 4.719 1.00 0.00 N ATOM 989 CA CYS A 70 -10.627 5.305 4.156 1.00 0.00 C ATOM 990 C CYS A 70 -11.869 6.086 3.734 1.00 0.00 C ATOM 991 O CYS A 70 -12.940 5.509 3.541 1.00 0.00 O ATOM 992 CB CYS A 70 -9.696 5.118 2.957 1.00 0.00 C ATOM 993 SG CYS A 70 -10.449 4.238 1.569 1.00 0.00 S ATOM 0 H CYS A 70 -11.603 3.450 4.124 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.106 5.874 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.361 6.097 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.809 4.573 3.281 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.744 4.304 1.665 1.00 0.00 H new ATOM 999 N PRO A 71 -11.743 7.415 3.583 1.00 0.00 N ATOM 1000 CA PRO A 71 -12.860 8.276 3.181 1.00 0.00 C ATOM 1001 C PRO A 71 -13.551 7.775 1.916 1.00 0.00 C ATOM 1002 O PRO A 71 -13.140 6.772 1.329 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.195 9.630 2.927 1.00 0.00 C ATOM 1004 CG PRO A 71 -10.967 9.613 3.769 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.500 8.184 3.793 1.00 0.00 C ATOM 0 HA PRO A 71 -13.642 8.308 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.950 9.759 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.854 10.453 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.200 10.267 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.180 9.971 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.768 7.987 3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.027 7.932 4.742 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.615 8.468 1.476 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.364 8.089 0.273 1.00 0.00 C ATOM 1015 C PRO A 72 -14.458 7.907 -0.940 1.00 0.00 C ATOM 1016 O PRO A 72 -14.008 8.881 -1.543 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.314 9.269 0.057 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.484 9.871 1.408 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.171 9.675 2.116 1.00 0.00 C ATOM 0 HA PRO A 72 -15.872 7.133 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.897 9.989 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.269 8.939 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.734 10.929 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.296 9.388 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.514 10.536 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.309 9.534 3.188 1.00 0.00 H new ATOM 1027 N LYS A 73 -14.192 6.653 -1.291 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.339 6.343 -2.432 1.00 0.00 C ATOM 1029 C LYS A 73 -11.942 6.928 -2.242 1.00 0.00 C ATOM 1030 O LYS A 73 -11.626 7.991 -2.774 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.961 6.883 -3.722 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.776 5.850 -4.483 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.907 5.295 -3.631 1.00 0.00 C ATOM 1034 CE LYS A 73 -17.155 6.158 -3.726 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.505 6.773 -2.415 1.00 0.00 N ATOM 0 H LYS A 73 -14.555 5.835 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.252 5.259 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.601 7.732 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.168 7.257 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.187 6.302 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.126 5.035 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.141 4.280 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.584 5.234 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.998 6.943 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.990 5.552 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.460 7.182 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.480 6.045 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.820 7.522 -2.189 1.00 0.00 H new ATOM 1049 N GLN A 74 -11.111 6.225 -1.479 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.748 6.674 -1.220 1.00 0.00 C ATOM 1051 C GLN A 74 -8.828 5.490 -0.936 1.00 0.00 C ATOM 1052 O GLN A 74 -7.845 5.617 -0.208 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.728 7.650 -0.039 1.00 0.00 C ATOM 1054 CG GLN A 74 -9.074 8.983 -0.364 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.018 9.912 0.833 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.796 10.859 0.936 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.094 9.643 1.748 1.00 0.00 N ATOM 0 H GLN A 74 -11.357 5.343 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.383 7.185 -2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.751 7.828 0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.199 7.188 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.063 8.808 -0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.626 9.467 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.469 8.847 1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.010 10.232 2.576 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.154 4.340 -1.518 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.347 3.151 -1.315 1.00 0.00 C ATOM 1068 C GLY A 75 -8.061 2.417 -2.610 1.00 0.00 C ATOM 1069 O GLY A 75 -8.913 2.352 -3.496 1.00 0.00 O ATOM 0 H GLY A 75 -9.962 4.211 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.405 3.431 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.861 2.480 -0.626 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.859 1.861 -2.720 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.462 1.127 -3.915 1.00 0.00 C ATOM 1075 C LEU A 76 -5.398 0.085 -3.587 1.00 0.00 C ATOM 1076 O LEU A 76 -4.487 0.340 -2.799 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.937 2.092 -4.981 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.633 1.455 -6.337 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.862 1.488 -7.231 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.464 2.162 -7.008 1.00 0.00 C ATOM 0 H LEU A 76 -6.143 1.905 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.341 0.611 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.671 2.884 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.029 2.564 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.357 0.413 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.626 1.030 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.673 0.936 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.170 2.522 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.261 1.695 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.712 3.213 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.580 2.085 -6.375 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.520 -1.089 -4.197 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.567 -2.171 -3.969 1.00 0.00 C ATOM 1094 C PHE A 77 -3.650 -2.349 -5.174 1.00 0.00 C ATOM 1095 O PHE A 77 -4.104 -2.352 -6.319 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.308 -3.477 -3.679 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.308 -3.366 -2.564 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.513 -2.711 -2.759 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -6.043 -3.917 -1.320 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.435 -2.607 -1.735 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.961 -3.816 -0.292 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.158 -3.161 -0.500 1.00 0.00 C ATOM 0 H PHE A 77 -6.268 -1.316 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.956 -1.909 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.820 -3.803 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.581 -4.250 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.734 -2.277 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.108 -4.431 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.371 -2.093 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.742 -4.249 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.877 -3.082 0.302 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.357 -2.499 -4.910 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.374 -2.677 -5.972 1.00 0.00 C ATOM 1114 C ALA A 78 -0.312 -3.696 -5.573 1.00 0.00 C ATOM 1115 O ALA A 78 -0.315 -4.203 -4.452 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.727 -1.346 -6.321 1.00 0.00 C ATOM 0 H ALA A 78 -1.965 -2.501 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.892 -3.058 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.005 -1.494 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.492 -0.647 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.229 -0.941 -5.440 1.00 0.00 H new ATOM 1122 N SER A 79 0.595 -3.990 -6.498 1.00 0.00 N ATOM 1123 CA SER A 79 1.665 -4.948 -6.244 1.00 0.00 C ATOM 1124 C SER A 79 2.901 -4.247 -5.692 1.00 0.00 C ATOM 1125 O SER A 79 3.108 -3.057 -5.925 1.00 0.00 O ATOM 1126 CB SER A 79 2.020 -5.700 -7.528 1.00 0.00 C ATOM 1127 OG SER A 79 0.948 -5.665 -8.454 1.00 0.00 O ATOM 0 H SER A 79 0.611 -3.578 -7.431 1.00 0.00 H new ATOM 0 HA SER A 79 1.312 -5.662 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.908 -5.257 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.266 -6.735 -7.291 1.00 0.00 H new ATOM 0 HG SER A 79 1.201 -6.151 -9.266 1.00 0.00 H new ATOM 1133 N VAL A 80 3.721 -4.994 -4.958 1.00 0.00 N ATOM 1134 CA VAL A 80 4.938 -4.444 -4.374 1.00 0.00 C ATOM 1135 C VAL A 80 5.859 -3.877 -5.448 1.00 0.00 C ATOM 1136 O VAL A 80 6.590 -2.916 -5.210 1.00 0.00 O ATOM 1137 CB VAL A 80 5.705 -5.510 -3.568 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.992 -5.806 -2.258 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.881 -6.780 -4.390 1.00 0.00 C ATOM 0 H VAL A 80 3.564 -5.981 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 80 4.630 -3.641 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 80 6.695 -5.118 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.549 -6.561 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.927 -4.894 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.988 -6.176 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.425 -7.521 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.902 -7.178 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.442 -6.552 -5.296 1.00 0.00 H new ATOM 1149 N SER A 81 5.818 -4.478 -6.633 1.00 0.00 N ATOM 1150 CA SER A 81 6.648 -4.034 -7.746 1.00 0.00 C ATOM 1151 C SER A 81 6.236 -2.640 -8.211 1.00 0.00 C ATOM 1152 O SER A 81 7.057 -1.877 -8.719 1.00 0.00 O ATOM 1153 CB SER A 81 6.552 -5.025 -8.909 1.00 0.00 C ATOM 1154 OG SER A 81 7.829 -5.537 -9.249 1.00 0.00 O ATOM 0 H SER A 81 5.218 -5.275 -6.847 1.00 0.00 H new ATOM 0 HA SER A 81 7.681 -3.990 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.888 -5.846 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.112 -4.532 -9.776 1.00 0.00 H new ATOM 0 HG SER A 81 7.741 -6.169 -9.993 1.00 0.00 H new ATOM 1160 N LYS A 82 4.959 -2.315 -8.036 1.00 0.00 N ATOM 1161 CA LYS A 82 4.440 -1.012 -8.439 1.00 0.00 C ATOM 1162 C LYS A 82 4.387 -0.052 -7.253 1.00 0.00 C ATOM 1163 O LYS A 82 3.585 0.883 -7.237 1.00 0.00 O ATOM 1164 CB LYS A 82 3.045 -1.163 -9.049 1.00 0.00 C ATOM 1165 CG LYS A 82 3.056 -1.732 -10.460 1.00 0.00 C ATOM 1166 CD LYS A 82 2.778 -0.657 -11.501 1.00 0.00 C ATOM 1167 CE LYS A 82 4.010 -0.355 -12.339 1.00 0.00 C ATOM 1168 NZ LYS A 82 3.672 -0.178 -13.779 1.00 0.00 N ATOM 0 H LYS A 82 4.265 -2.935 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 82 5.116 -0.597 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.446 -1.811 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.556 -0.189 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.024 -2.191 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.307 -2.520 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.966 -0.982 -12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.444 0.254 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.491 0.549 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.730 -1.167 -12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.539 0.026 -14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.236 -1.049 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.005 0.613 -13.884 1.00 0.00 H new ATOM 1182 N ILE A 83 5.243 -0.286 -6.264 1.00 0.00 N ATOM 1183 CA ILE A 83 5.290 0.561 -5.078 1.00 0.00 C ATOM 1184 C ILE A 83 6.697 0.607 -4.491 1.00 0.00 C ATOM 1185 O ILE A 83 7.495 -0.308 -4.696 1.00 0.00 O ATOM 1186 CB ILE A 83 4.310 0.071 -3.995 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.921 -0.154 -4.595 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.244 1.069 -2.849 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.899 -0.643 -3.591 1.00 0.00 C ATOM 0 H ILE A 83 5.913 -1.055 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 83 4.997 1.562 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 83 4.672 -0.879 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.569 0.779 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.998 -0.879 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.547 0.708 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.234 1.181 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.903 2.033 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.938 -0.780 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.229 -1.593 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.793 0.091 -2.793 1.00 0.00 H new ATOM 1201 N SER A 84 6.994 1.677 -3.761 1.00 0.00 N ATOM 1202 CA SER A 84 8.305 1.842 -3.144 1.00 0.00 C ATOM 1203 C SER A 84 8.201 2.656 -1.858 1.00 0.00 C ATOM 1204 O SER A 84 7.133 3.166 -1.518 1.00 0.00 O ATOM 1205 CB SER A 84 9.269 2.521 -4.120 1.00 0.00 C ATOM 1206 OG SER A 84 10.479 1.792 -4.231 1.00 0.00 O ATOM 0 H SER A 84 6.344 2.443 -3.582 1.00 0.00 H new ATOM 0 HA SER A 84 8.691 0.854 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.800 2.605 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.481 3.535 -3.780 1.00 0.00 H new ATOM 0 HG SER A 84 11.077 2.245 -4.861 1.00 0.00 H new ATOM 1212 N LYS A 85 9.318 2.775 -1.147 1.00 0.00 N ATOM 1213 CA LYS A 85 9.352 3.527 0.101 1.00 0.00 C ATOM 1214 C LYS A 85 9.248 5.026 -0.164 1.00 0.00 C ATOM 1215 O LYS A 85 10.109 5.611 -0.821 1.00 0.00 O ATOM 1216 CB LYS A 85 10.639 3.223 0.871 1.00 0.00 C ATOM 1217 CG LYS A 85 10.446 3.161 2.378 1.00 0.00 C ATOM 1218 CD LYS A 85 11.478 4.006 3.109 1.00 0.00 C ATOM 1219 CE LYS A 85 11.905 3.357 4.415 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.551 4.333 5.335 1.00 0.00 N ATOM 0 H LYS A 85 10.211 2.360 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 85 8.496 3.221 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.043 2.272 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.381 3.988 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.444 3.508 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.519 2.126 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.350 4.150 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.064 4.994 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.035 2.918 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.598 2.542 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.828 3.851 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.396 4.733 4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.882 5.098 5.555 1.00 0.00 H new ATOM 1234 N ALA A 86 8.188 5.640 0.350 1.00 0.00 N ATOM 1235 CA ALA A 86 7.972 7.071 0.169 1.00 0.00 C ATOM 1236 C ALA A 86 8.958 7.884 0.999 1.00 0.00 C ATOM 1237 O ALA A 86 8.798 8.026 2.211 1.00 0.00 O ATOM 1238 CB ALA A 86 6.542 7.438 0.537 1.00 0.00 C ATOM 0 H ALA A 86 7.465 5.170 0.895 1.00 0.00 H new ATOM 0 HA ALA A 86 8.139 7.309 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.394 8.509 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.850 6.890 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.357 7.179 1.579 1.00 0.00 H new