USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 423 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 51 GLN : amide:sc= 0 X(o=-3.3,f=-3.5) USER MOD Set 1.2: A 54 GLN : amide:sc= -3.33! C(o=-3.3!,f=-5.1!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 133:sc= 0.112 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.94! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.037) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.97! C(o=-5!,f=-12!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.218 -2.691 6.039 1.00 0.00 N ATOM 110 CA VAL A 8 8.735 -2.575 6.126 1.00 0.00 C ATOM 111 C VAL A 8 8.362 -1.091 6.094 1.00 0.00 C ATOM 112 O VAL A 8 9.045 -0.264 6.664 1.00 0.00 O ATOM 113 CB VAL A 8 8.253 -3.204 7.436 1.00 0.00 C ATOM 114 CG1 VAL A 8 6.758 -2.936 7.623 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.498 -4.714 7.392 1.00 0.00 C ATOM 0 HA VAL A 8 8.265 -3.093 5.290 1.00 0.00 H new ATOM 0 HB VAL A 8 8.802 -2.766 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.422 -3.386 8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.582 -1.861 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.204 -3.370 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.156 -5.165 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.949 -5.147 6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.563 -4.906 7.266 1.00 0.00 H new ATOM 125 N TYR A 9 7.297 -0.740 5.428 1.00 0.00 N ATOM 126 CA TYR A 9 6.917 0.699 5.365 1.00 0.00 C ATOM 127 C TYR A 9 5.520 0.909 5.944 1.00 0.00 C ATOM 128 O TYR A 9 4.563 0.282 5.539 1.00 0.00 O ATOM 129 CB TYR A 9 6.922 1.177 3.915 1.00 0.00 C ATOM 130 CG TYR A 9 8.311 1.623 3.532 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.349 0.688 3.448 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.559 2.973 3.255 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.635 1.103 3.091 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.846 3.389 2.895 1.00 0.00 C ATOM 135 CZ TYR A 9 10.883 2.452 2.813 1.00 0.00 C ATOM 136 OH TYR A 9 12.149 2.857 2.455 1.00 0.00 O ATOM 0 H TYR A 9 6.679 -1.380 4.929 1.00 0.00 H new ATOM 0 HA TYR A 9 7.642 1.268 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.593 0.374 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.218 2.000 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.156 -0.354 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.757 3.693 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.437 0.383 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.039 4.430 2.681 1.00 0.00 H new ATOM 0 HH TYR A 9 12.150 3.824 2.295 1.00 0.00 H new ATOM 146 N THR A 10 5.398 1.817 6.865 1.00 0.00 N ATOM 147 CA THR A 10 4.066 2.109 7.459 1.00 0.00 C ATOM 148 C THR A 10 3.486 3.322 6.737 1.00 0.00 C ATOM 149 O THR A 10 3.965 4.429 6.883 1.00 0.00 O ATOM 150 CB THR A 10 4.221 2.423 8.948 1.00 0.00 C ATOM 151 OG1 THR A 10 5.119 1.492 9.536 1.00 0.00 O ATOM 152 CG2 THR A 10 2.857 2.327 9.635 1.00 0.00 C ATOM 0 H THR A 10 6.168 2.374 7.236 1.00 0.00 H new ATOM 0 HA THR A 10 3.406 1.249 7.351 1.00 0.00 H new ATOM 0 HB THR A 10 4.615 3.432 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.221 1.693 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.967 2.551 10.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.171 3.043 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.460 1.319 9.516 1.00 0.00 H new ATOM 160 N GLY A 11 2.476 3.125 5.939 1.00 0.00 N ATOM 161 CA GLY A 11 1.896 4.275 5.195 1.00 0.00 C ATOM 162 C GLY A 11 0.505 4.607 5.725 1.00 0.00 C ATOM 163 O GLY A 11 -0.224 3.747 6.188 1.00 0.00 O ATOM 0 H GLY A 11 2.029 2.224 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.546 5.144 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.840 4.037 4.133 1.00 0.00 H new ATOM 167 N LYS A 12 0.126 5.852 5.644 1.00 0.00 N ATOM 168 CA LYS A 12 -1.221 6.258 6.118 1.00 0.00 C ATOM 169 C LYS A 12 -2.191 6.132 4.948 1.00 0.00 C ATOM 170 O LYS A 12 -1.786 6.060 3.804 1.00 0.00 O ATOM 171 CB LYS A 12 -1.192 7.714 6.600 1.00 0.00 C ATOM 172 CG LYS A 12 0.225 8.086 7.044 1.00 0.00 C ATOM 173 CD LYS A 12 0.156 9.024 8.250 1.00 0.00 C ATOM 174 CE LYS A 12 1.537 9.632 8.502 1.00 0.00 C ATOM 175 NZ LYS A 12 2.119 9.044 9.740 1.00 0.00 N ATOM 0 H LYS A 12 0.697 6.608 5.267 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.532 5.622 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.518 8.378 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.889 7.846 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.784 7.186 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.758 8.569 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.573 9.814 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.179 8.477 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.192 9.439 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.457 10.714 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.103 8.760 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.096 9.750 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.565 8.211 10.022 1.00 0.00 H new ATOM 189 N VAL A 13 -3.462 6.110 5.212 1.00 0.00 N ATOM 190 CA VAL A 13 -4.432 5.988 4.095 1.00 0.00 C ATOM 191 C VAL A 13 -4.782 7.385 3.595 1.00 0.00 C ATOM 192 O VAL A 13 -5.535 8.110 4.216 1.00 0.00 O ATOM 193 CB VAL A 13 -5.696 5.291 4.591 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.649 5.066 3.416 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.322 3.946 5.213 1.00 0.00 C ATOM 0 H VAL A 13 -3.870 6.171 6.145 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.995 5.403 3.286 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.187 5.913 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.552 4.568 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.914 6.026 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.161 4.443 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.223 3.446 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.832 3.323 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.643 4.109 6.050 1.00 0.00 H new ATOM 205 N THR A 14 -4.230 7.777 2.484 1.00 0.00 N ATOM 206 CA THR A 14 -4.518 9.135 1.955 1.00 0.00 C ATOM 207 C THR A 14 -5.443 9.032 0.739 1.00 0.00 C ATOM 208 O THR A 14 -5.986 10.017 0.281 1.00 0.00 O ATOM 209 CB THR A 14 -3.207 9.819 1.550 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.993 9.646 0.157 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.035 9.210 2.327 1.00 0.00 C ATOM 0 H THR A 14 -3.592 7.216 1.920 1.00 0.00 H new ATOM 0 HA THR A 14 -5.008 9.725 2.729 1.00 0.00 H new ATOM 0 HB THR A 14 -3.274 10.882 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.156 10.085 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.108 9.702 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.196 9.349 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.966 8.145 2.106 1.00 0.00 H new ATOM 219 N ARG A 15 -5.627 7.853 0.208 1.00 0.00 N ATOM 220 CA ARG A 15 -6.515 7.714 -0.982 1.00 0.00 C ATOM 221 C ARG A 15 -6.997 6.266 -1.123 1.00 0.00 C ATOM 222 O ARG A 15 -6.346 5.337 -0.690 1.00 0.00 O ATOM 223 CB ARG A 15 -5.731 8.116 -2.235 1.00 0.00 C ATOM 224 CG ARG A 15 -5.805 9.635 -2.418 1.00 0.00 C ATOM 225 CD ARG A 15 -4.475 10.269 -1.998 1.00 0.00 C ATOM 226 NE ARG A 15 -4.035 11.244 -3.036 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.298 12.267 -2.694 1.00 0.00 C ATOM 228 NH1 ARG A 15 -3.738 13.121 -1.811 1.00 0.00 N ATOM 229 NH2 ARG A 15 -2.123 12.432 -3.235 1.00 0.00 N ATOM 0 H ARG A 15 -5.205 6.987 0.543 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.384 8.360 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.692 7.800 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.141 7.613 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.022 9.876 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.619 10.044 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.588 10.772 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.718 9.496 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.308 11.113 -4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.657 12.990 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.163 13.920 -1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.780 11.763 -3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.547 13.230 -2.969 1.00 0.00 H new ATOM 243 N ILE A 16 -8.134 6.073 -1.741 1.00 0.00 N ATOM 244 CA ILE A 16 -8.671 4.694 -1.938 1.00 0.00 C ATOM 245 C ILE A 16 -9.271 4.611 -3.345 1.00 0.00 C ATOM 246 O ILE A 16 -9.607 5.616 -3.938 1.00 0.00 O ATOM 247 CB ILE A 16 -9.747 4.402 -0.890 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.127 4.493 0.508 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.305 2.992 -1.107 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.085 3.893 1.539 1.00 0.00 C ATOM 0 H ILE A 16 -8.718 6.818 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.874 3.958 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.554 5.129 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.176 3.962 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.917 5.533 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.071 2.785 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.741 2.923 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.500 2.263 -1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.640 3.960 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.026 4.444 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.273 2.847 1.296 1.00 0.00 H new ATOM 262 N VAL A 17 -9.394 3.435 -3.902 1.00 0.00 N ATOM 263 CA VAL A 17 -9.955 3.341 -5.282 1.00 0.00 C ATOM 264 C VAL A 17 -10.942 2.161 -5.374 1.00 0.00 C ATOM 265 O VAL A 17 -10.838 1.192 -4.653 1.00 0.00 O ATOM 266 CB VAL A 17 -8.798 3.166 -6.296 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.478 3.621 -5.679 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.646 1.705 -6.687 1.00 0.00 C ATOM 0 H VAL A 17 -9.135 2.548 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.497 4.257 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.036 3.768 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.674 3.492 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.550 4.672 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.266 3.024 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.828 1.602 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.430 1.111 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.571 1.352 -7.143 1.00 0.00 H new ATOM 278 N ASP A 18 -11.887 2.223 -6.270 1.00 0.00 N ATOM 279 CA ASP A 18 -12.850 1.093 -6.402 1.00 0.00 C ATOM 280 C ASP A 18 -12.084 -0.183 -6.764 1.00 0.00 C ATOM 281 O ASP A 18 -12.371 -1.255 -6.270 1.00 0.00 O ATOM 282 CB ASP A 18 -13.865 1.408 -7.503 1.00 0.00 C ATOM 283 CG ASP A 18 -15.275 1.409 -6.912 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.392 1.574 -5.709 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.215 1.246 -7.672 1.00 0.00 O ATOM 0 H ASP A 18 -12.034 3.001 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.376 0.951 -5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.645 2.378 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.794 0.668 -8.300 1.00 0.00 H new ATOM 290 N PHE A 19 -11.113 -0.074 -7.630 1.00 0.00 N ATOM 291 CA PHE A 19 -10.323 -1.275 -8.039 1.00 0.00 C ATOM 292 C PHE A 19 -9.115 -1.454 -7.113 1.00 0.00 C ATOM 293 O PHE A 19 -8.126 -2.048 -7.493 1.00 0.00 O ATOM 294 CB PHE A 19 -9.816 -1.076 -9.471 1.00 0.00 C ATOM 295 CG PHE A 19 -9.220 0.305 -9.587 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.919 0.544 -9.126 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.973 1.352 -10.133 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.372 1.830 -9.213 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.426 2.636 -10.217 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.126 2.874 -9.755 1.00 0.00 C ATOM 0 H PHE A 19 -10.830 0.799 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.961 -2.157 -7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.069 -1.831 -9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.634 -1.195 -10.181 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.338 -0.263 -8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.976 1.168 -10.489 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.368 2.015 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.006 3.444 -10.638 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.705 3.867 -9.818 1.00 0.00 H new ATOM 310 N GLY A 20 -9.166 -0.944 -5.911 1.00 0.00 N ATOM 311 CA GLY A 20 -7.989 -1.101 -5.005 1.00 0.00 C ATOM 312 C GLY A 20 -7.957 0.001 -3.938 1.00 0.00 C ATOM 313 O GLY A 20 -8.966 0.556 -3.562 1.00 0.00 O ATOM 0 H GLY A 20 -9.958 -0.433 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.027 -2.077 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.070 -1.070 -5.590 1.00 0.00 H new ATOM 317 N ALA A 21 -6.790 0.317 -3.446 1.00 0.00 N ATOM 318 CA ALA A 21 -6.671 1.376 -2.409 1.00 0.00 C ATOM 319 C ALA A 21 -5.314 2.056 -2.550 1.00 0.00 C ATOM 320 O ALA A 21 -4.336 1.434 -2.902 1.00 0.00 O ATOM 321 CB ALA A 21 -6.770 0.753 -1.015 1.00 0.00 C ATOM 0 H ALA A 21 -5.909 -0.117 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.474 2.101 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.682 1.534 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.732 0.252 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.967 0.028 -0.882 1.00 0.00 H new ATOM 327 N PHE A 22 -5.249 3.328 -2.291 1.00 0.00 N ATOM 328 CA PHE A 22 -3.959 4.056 -2.409 1.00 0.00 C ATOM 329 C PHE A 22 -3.440 4.395 -1.006 1.00 0.00 C ATOM 330 O PHE A 22 -4.202 4.669 -0.100 1.00 0.00 O ATOM 331 CB PHE A 22 -4.186 5.344 -3.204 1.00 0.00 C ATOM 332 CG PHE A 22 -4.333 5.022 -4.679 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.367 3.689 -5.119 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.431 6.064 -5.608 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.495 3.402 -6.481 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.558 5.774 -6.973 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.591 4.443 -7.408 1.00 0.00 C ATOM 0 H PHE A 22 -6.041 3.900 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.225 3.436 -2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.081 5.852 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.350 6.027 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.294 2.883 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.409 7.091 -5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.520 2.376 -6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.631 6.578 -7.691 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.691 4.221 -8.460 1.00 0.00 H new ATOM 347 N VAL A 23 -2.150 4.375 -0.819 1.00 0.00 N ATOM 348 CA VAL A 23 -1.577 4.688 0.524 1.00 0.00 C ATOM 349 C VAL A 23 -0.410 5.675 0.369 1.00 0.00 C ATOM 350 O VAL A 23 0.062 5.918 -0.724 1.00 0.00 O ATOM 351 CB VAL A 23 -1.079 3.394 1.173 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.241 3.732 2.403 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.277 2.541 1.596 1.00 0.00 C ATOM 0 H VAL A 23 -1.463 4.155 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.344 5.139 1.154 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.471 2.840 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.114 2.811 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.613 4.341 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.850 4.286 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.923 1.620 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.884 3.096 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.879 2.299 0.720 1.00 0.00 H new ATOM 363 N ALA A 24 0.055 6.256 1.446 1.00 0.00 N ATOM 364 CA ALA A 24 1.180 7.231 1.333 1.00 0.00 C ATOM 365 C ALA A 24 2.219 6.997 2.444 1.00 0.00 C ATOM 366 O ALA A 24 1.875 6.826 3.595 1.00 0.00 O ATOM 367 CB ALA A 24 0.624 8.652 1.452 1.00 0.00 C ATOM 0 H ALA A 24 -0.293 6.099 2.392 1.00 0.00 H new ATOM 0 HA ALA A 24 1.667 7.095 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.440 9.370 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.096 8.829 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.132 8.770 2.417 1.00 0.00 H new ATOM 373 N ILE A 25 3.492 7.007 2.113 1.00 0.00 N ATOM 374 CA ILE A 25 4.541 6.808 3.158 1.00 0.00 C ATOM 375 C ILE A 25 5.339 8.106 3.312 1.00 0.00 C ATOM 376 O ILE A 25 6.289 8.347 2.595 1.00 0.00 O ATOM 377 CB ILE A 25 5.501 5.684 2.746 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.671 5.676 1.225 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.951 4.334 3.201 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.531 4.479 0.817 1.00 0.00 C ATOM 0 H ILE A 25 3.845 7.144 1.166 1.00 0.00 H new ATOM 0 HA ILE A 25 4.059 6.539 4.098 1.00 0.00 H new ATOM 0 HB ILE A 25 6.468 5.857 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.697 5.620 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.139 6.604 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.639 3.542 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.842 4.332 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.979 4.162 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.653 4.471 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.509 4.555 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.044 3.557 1.134 1.00 0.00 H new ATOM 413 N LYS A 29 7.777 8.643 -0.672 1.00 0.00 N ATOM 414 CA LYS A 29 6.732 8.726 -1.731 1.00 0.00 C ATOM 415 C LYS A 29 5.413 8.173 -1.188 1.00 0.00 C ATOM 416 O LYS A 29 5.174 8.167 0.006 1.00 0.00 O ATOM 417 CB LYS A 29 7.179 7.908 -2.946 1.00 0.00 C ATOM 418 CG LYS A 29 7.285 8.824 -4.165 1.00 0.00 C ATOM 419 CD LYS A 29 5.980 8.773 -4.961 1.00 0.00 C ATOM 420 CE LYS A 29 6.201 9.392 -6.343 1.00 0.00 C ATOM 421 NZ LYS A 29 5.073 10.310 -6.661 1.00 0.00 N ATOM 0 HA LYS A 29 6.589 9.765 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.142 7.437 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.466 7.107 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.489 9.847 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.119 8.513 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.644 7.741 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.196 9.313 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.145 9.937 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.270 8.608 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.222 10.731 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.180 9.777 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.027 11.064 -5.947 1.00 0.00 H new ATOM 435 N GLU A 30 4.545 7.709 -2.045 1.00 0.00 N ATOM 436 CA GLU A 30 3.255 7.167 -1.548 1.00 0.00 C ATOM 437 C GLU A 30 3.209 5.652 -1.757 1.00 0.00 C ATOM 438 O GLU A 30 3.793 5.124 -2.680 1.00 0.00 O ATOM 439 CB GLU A 30 2.092 7.820 -2.295 1.00 0.00 C ATOM 440 CG GLU A 30 2.179 7.475 -3.783 1.00 0.00 C ATOM 441 CD GLU A 30 0.792 7.590 -4.416 1.00 0.00 C ATOM 442 OE1 GLU A 30 -0.179 7.368 -3.711 1.00 0.00 O ATOM 443 OE2 GLU A 30 0.723 7.900 -5.595 1.00 0.00 O ATOM 0 H GLU A 30 4.673 7.683 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 30 3.169 7.387 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.143 7.473 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.121 8.901 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.875 8.148 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.566 6.464 -3.911 1.00 0.00 H new ATOM 450 N GLY A 31 2.500 4.955 -0.911 1.00 0.00 N ATOM 451 CA GLY A 31 2.386 3.477 -1.059 1.00 0.00 C ATOM 452 C GLY A 31 1.073 3.174 -1.773 1.00 0.00 C ATOM 453 O GLY A 31 0.374 4.076 -2.184 1.00 0.00 O ATOM 0 H GLY A 31 1.992 5.349 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.229 3.085 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.409 2.993 -0.082 1.00 0.00 H new ATOM 457 N LEU A 32 0.720 1.929 -1.930 1.00 0.00 N ATOM 458 CA LEU A 32 -0.564 1.633 -2.619 1.00 0.00 C ATOM 459 C LEU A 32 -1.168 0.321 -2.130 1.00 0.00 C ATOM 460 O LEU A 32 -0.585 -0.735 -2.271 1.00 0.00 O ATOM 461 CB LEU A 32 -0.349 1.527 -4.121 1.00 0.00 C ATOM 462 CG LEU A 32 -1.694 1.760 -4.798 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.656 3.084 -5.540 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.996 0.633 -5.780 1.00 0.00 C ATOM 0 H LEU A 32 1.254 1.118 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.246 2.452 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.381 2.264 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.046 0.545 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.476 1.782 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.616 3.256 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.457 3.891 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.868 3.057 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.960 0.813 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.217 0.595 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.027 -0.317 -5.246 1.00 0.00 H new ATOM 476 N VAL A 33 -2.357 0.374 -1.604 1.00 0.00 N ATOM 477 CA VAL A 33 -3.031 -0.871 -1.162 1.00 0.00 C ATOM 478 C VAL A 33 -3.925 -1.343 -2.310 1.00 0.00 C ATOM 479 O VAL A 33 -5.135 -1.400 -2.193 1.00 0.00 O ATOM 480 CB VAL A 33 -3.892 -0.588 0.067 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.704 -1.834 0.426 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.998 -0.205 1.245 1.00 0.00 C ATOM 0 H VAL A 33 -2.892 1.231 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.294 -1.632 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.572 0.235 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.317 -1.628 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.348 -2.103 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.026 -2.660 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.616 -0.004 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.314 -1.025 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.425 0.687 0.992 1.00 0.00 H new ATOM 492 N HIS A 34 -3.346 -1.652 -3.437 1.00 0.00 N ATOM 493 CA HIS A 34 -4.180 -2.097 -4.583 1.00 0.00 C ATOM 494 C HIS A 34 -5.136 -3.194 -4.102 1.00 0.00 C ATOM 495 O HIS A 34 -4.856 -3.905 -3.157 1.00 0.00 O ATOM 496 CB HIS A 34 -3.289 -2.643 -5.700 1.00 0.00 C ATOM 497 CG HIS A 34 -4.016 -2.536 -7.015 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.062 -3.585 -7.920 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.733 -1.514 -7.591 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.783 -3.174 -8.980 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.215 -1.920 -8.831 1.00 0.00 N ATOM 0 H HIS A 34 -2.342 -1.616 -3.611 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.749 -1.252 -4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.355 -2.083 -5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.030 -3.682 -5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.897 -0.543 -7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.987 -3.785 -9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.778 -1.376 -9.486 1.00 0.00 H new ATOM 509 N ILE A 35 -6.260 -3.330 -4.742 1.00 0.00 N ATOM 510 CA ILE A 35 -7.246 -4.365 -4.332 1.00 0.00 C ATOM 511 C ILE A 35 -6.538 -5.706 -4.116 1.00 0.00 C ATOM 512 O ILE A 35 -6.728 -6.360 -3.110 1.00 0.00 O ATOM 513 CB ILE A 35 -8.293 -4.508 -5.437 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.140 -5.757 -5.182 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.590 -4.638 -6.791 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.623 -5.386 -5.239 1.00 0.00 C ATOM 0 H ILE A 35 -6.541 -2.762 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.725 -4.068 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.936 -3.628 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.916 -6.520 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.897 -6.182 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.335 -4.740 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.987 -3.749 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.947 -5.518 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.228 -6.275 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.840 -4.637 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.859 -4.981 -6.223 1.00 0.00 H new ATOM 528 N SER A 36 -5.728 -6.123 -5.051 1.00 0.00 N ATOM 529 CA SER A 36 -5.012 -7.425 -4.899 1.00 0.00 C ATOM 530 C SER A 36 -3.766 -7.249 -4.019 1.00 0.00 C ATOM 531 O SER A 36 -2.724 -7.808 -4.294 1.00 0.00 O ATOM 532 CB SER A 36 -4.591 -7.937 -6.277 1.00 0.00 C ATOM 533 OG SER A 36 -4.735 -9.350 -6.319 1.00 0.00 O ATOM 0 H SER A 36 -5.530 -5.619 -5.915 1.00 0.00 H new ATOM 0 HA SER A 36 -5.681 -8.143 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.203 -7.475 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.557 -7.659 -6.480 1.00 0.00 H new ATOM 0 HG SER A 36 -4.467 -9.680 -7.202 1.00 0.00 H new ATOM 539 N GLN A 37 -3.856 -6.479 -2.967 1.00 0.00 N ATOM 540 CA GLN A 37 -2.669 -6.280 -2.089 1.00 0.00 C ATOM 541 C GLN A 37 -3.133 -6.079 -0.646 1.00 0.00 C ATOM 542 O GLN A 37 -2.518 -5.367 0.123 1.00 0.00 O ATOM 543 CB GLN A 37 -1.897 -5.040 -2.545 1.00 0.00 C ATOM 544 CG GLN A 37 -1.664 -5.107 -4.056 1.00 0.00 C ATOM 545 CD GLN A 37 -0.666 -6.224 -4.369 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.515 -7.152 -3.601 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.025 -6.174 -5.475 1.00 0.00 N ATOM 0 H GLN A 37 -4.698 -5.981 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.023 -7.156 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.455 -4.138 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.943 -4.981 -2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.606 -5.291 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.283 -4.152 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.102 -5.395 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.692 -6.914 -5.694 1.00 0.00 H new ATOM 556 N ILE A 38 -4.219 -6.697 -0.271 1.00 0.00 N ATOM 557 CA ILE A 38 -4.723 -6.531 1.119 1.00 0.00 C ATOM 558 C ILE A 38 -4.565 -7.842 1.893 1.00 0.00 C ATOM 559 O ILE A 38 -3.503 -8.155 2.392 1.00 0.00 O ATOM 560 CB ILE A 38 -6.197 -6.127 1.084 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.323 -4.691 0.570 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.781 -6.215 2.493 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.767 -4.608 -0.853 1.00 0.00 C ATOM 0 H ILE A 38 -4.777 -7.308 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.146 -5.753 1.618 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.741 -6.799 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.367 -4.379 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.779 -4.010 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.832 -5.927 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.693 -7.237 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.235 -5.543 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.857 -3.585 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.717 -4.902 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.330 -5.277 -1.503 1.00 0.00 H new ATOM 575 N ALA A 39 -5.615 -8.606 2.000 1.00 0.00 N ATOM 576 CA ALA A 39 -5.535 -9.893 2.745 1.00 0.00 C ATOM 577 C ALA A 39 -5.499 -11.054 1.750 1.00 0.00 C ATOM 578 O ALA A 39 -5.551 -10.855 0.553 1.00 0.00 O ATOM 579 CB ALA A 39 -6.762 -10.032 3.650 1.00 0.00 C ATOM 0 H ALA A 39 -6.530 -8.394 1.602 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.631 -9.909 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.706 -10.973 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.788 -9.203 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.666 -10.019 3.042 1.00 0.00 H new ATOM 643 N VAL A 43 -10.278 -9.097 -1.427 1.00 0.00 N ATOM 644 CA VAL A 43 -11.004 -7.993 -0.746 1.00 0.00 C ATOM 645 C VAL A 43 -12.028 -7.386 -1.705 1.00 0.00 C ATOM 646 O VAL A 43 -11.788 -6.370 -2.329 1.00 0.00 O ATOM 647 CB VAL A 43 -10.004 -6.924 -0.296 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.741 -5.623 0.027 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.273 -7.420 0.952 1.00 0.00 C ATOM 0 HA VAL A 43 -11.525 -8.382 0.129 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.288 -6.736 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.023 -4.868 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.266 -5.272 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.460 -5.801 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.559 -6.665 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.995 -7.605 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.743 -8.344 0.720 1.00 0.00 H new ATOM 659 N GLU A 44 -13.173 -7.999 -1.818 1.00 0.00 N ATOM 660 CA GLU A 44 -14.226 -7.466 -2.725 1.00 0.00 C ATOM 661 C GLU A 44 -14.416 -5.972 -2.461 1.00 0.00 C ATOM 662 O GLU A 44 -14.900 -5.239 -3.301 1.00 0.00 O ATOM 663 CB GLU A 44 -15.540 -8.199 -2.448 1.00 0.00 C ATOM 664 CG GLU A 44 -16.234 -8.532 -3.770 1.00 0.00 C ATOM 665 CD GLU A 44 -17.697 -8.890 -3.499 1.00 0.00 C ATOM 666 OE1 GLU A 44 -18.358 -8.121 -2.819 1.00 0.00 O ATOM 667 OE2 GLU A 44 -18.132 -9.926 -3.974 1.00 0.00 O ATOM 0 H GLU A 44 -13.426 -8.851 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.929 -7.617 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.346 -9.114 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.190 -7.579 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.176 -7.681 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.729 -9.365 -4.259 1.00 0.00 H new ATOM 674 N LYS A 45 -14.046 -5.517 -1.297 1.00 0.00 N ATOM 675 CA LYS A 45 -14.216 -4.069 -0.979 1.00 0.00 C ATOM 676 C LYS A 45 -12.906 -3.498 -0.426 1.00 0.00 C ATOM 677 O LYS A 45 -12.473 -3.845 0.654 1.00 0.00 O ATOM 678 CB LYS A 45 -15.327 -3.907 0.064 1.00 0.00 C ATOM 679 CG LYS A 45 -16.637 -3.546 -0.638 1.00 0.00 C ATOM 680 CD LYS A 45 -16.610 -2.071 -1.040 1.00 0.00 C ATOM 681 CE LYS A 45 -16.671 -1.953 -2.563 1.00 0.00 C ATOM 682 NZ LYS A 45 -15.952 -0.720 -2.993 1.00 0.00 N ATOM 0 H LYS A 45 -13.635 -6.081 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.483 -3.529 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.448 -4.831 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.059 -3.129 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.774 -4.172 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.482 -3.738 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.453 -1.546 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.703 -1.598 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.219 -2.831 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.709 -1.917 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.992 -0.638 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.402 0.113 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.959 -0.773 -2.688 1.00 0.00 H new ATOM 696 N VAL A 46 -12.278 -2.611 -1.156 1.00 0.00 N ATOM 697 CA VAL A 46 -10.998 -2.011 -0.662 1.00 0.00 C ATOM 698 C VAL A 46 -11.322 -0.968 0.406 1.00 0.00 C ATOM 699 O VAL A 46 -10.526 -0.689 1.283 1.00 0.00 O ATOM 700 CB VAL A 46 -10.207 -1.337 -1.802 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.840 -2.013 -1.943 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.955 -1.448 -3.134 1.00 0.00 C ATOM 0 H VAL A 46 -12.592 -2.277 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.382 -2.811 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.087 -0.282 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.280 -1.537 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.287 -1.914 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.979 -3.070 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.374 -0.964 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.099 -2.499 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.926 -0.960 -3.048 1.00 0.00 H new ATOM 712 N THR A 47 -12.495 -0.400 0.348 1.00 0.00 N ATOM 713 CA THR A 47 -12.885 0.617 1.365 1.00 0.00 C ATOM 714 C THR A 47 -13.252 -0.089 2.674 1.00 0.00 C ATOM 715 O THR A 47 -13.665 0.534 3.632 1.00 0.00 O ATOM 716 CB THR A 47 -14.095 1.409 0.863 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.155 0.514 0.551 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.707 2.200 -0.386 1.00 0.00 C ATOM 0 H THR A 47 -13.201 -0.597 -0.361 1.00 0.00 H new ATOM 0 HA THR A 47 -12.050 1.297 1.534 1.00 0.00 H new ATOM 0 HB THR A 47 -14.423 2.099 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.929 1.023 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.569 2.763 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.898 2.889 -0.143 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.376 1.512 -1.164 1.00 0.00 H new ATOM 726 N ASP A 48 -13.102 -1.385 2.725 1.00 0.00 N ATOM 727 CA ASP A 48 -13.435 -2.128 3.970 1.00 0.00 C ATOM 728 C ASP A 48 -12.135 -2.497 4.676 1.00 0.00 C ATOM 729 O ASP A 48 -12.073 -2.590 5.886 1.00 0.00 O ATOM 730 CB ASP A 48 -14.208 -3.401 3.617 1.00 0.00 C ATOM 731 CG ASP A 48 -15.621 -3.032 3.161 1.00 0.00 C ATOM 732 OD1 ASP A 48 -16.046 -1.926 3.454 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.252 -3.860 2.526 1.00 0.00 O ATOM 0 H ASP A 48 -12.762 -1.961 1.955 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.051 -1.509 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.691 -3.946 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.255 -4.062 4.482 1.00 0.00 H new ATOM 738 N TYR A 49 -11.091 -2.697 3.922 1.00 0.00 N ATOM 739 CA TYR A 49 -9.785 -3.049 4.533 1.00 0.00 C ATOM 740 C TYR A 49 -9.002 -1.765 4.800 1.00 0.00 C ATOM 741 O TYR A 49 -8.242 -1.676 5.744 1.00 0.00 O ATOM 742 CB TYR A 49 -9.003 -3.948 3.581 1.00 0.00 C ATOM 743 CG TYR A 49 -9.719 -5.269 3.469 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.968 -5.331 2.842 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.140 -6.429 3.996 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.640 -6.554 2.743 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.813 -7.651 3.899 1.00 0.00 C ATOM 748 CZ TYR A 49 -11.064 -7.714 3.273 1.00 0.00 C ATOM 749 OH TYR A 49 -11.728 -8.920 3.178 1.00 0.00 O ATOM 0 H TYR A 49 -11.089 -2.631 2.904 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.943 -3.581 5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.920 -3.479 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.988 -4.098 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.413 -4.435 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.174 -6.380 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.603 -6.603 2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.368 -8.546 4.307 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.189 -9.624 3.595 1.00 0.00 H new ATOM 759 N LEU A 50 -9.189 -0.762 3.982 1.00 0.00 N ATOM 760 CA LEU A 50 -8.457 0.517 4.208 1.00 0.00 C ATOM 761 C LEU A 50 -9.435 1.581 4.708 1.00 0.00 C ATOM 762 O LEU A 50 -10.620 1.520 4.449 1.00 0.00 O ATOM 763 CB LEU A 50 -7.826 1.004 2.895 1.00 0.00 C ATOM 764 CG LEU A 50 -6.298 0.834 2.899 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.688 1.833 1.917 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.719 1.102 4.291 1.00 0.00 C ATOM 0 H LEU A 50 -9.812 -0.773 3.174 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.674 0.348 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.251 0.449 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.075 2.054 2.740 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.062 -0.191 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.604 1.722 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.078 1.644 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.947 2.847 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.637 0.975 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.958 2.121 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.150 0.401 5.006 1.00 0.00 H new ATOM 778 N GLN A 51 -8.942 2.562 5.409 1.00 0.00 N ATOM 779 CA GLN A 51 -9.830 3.643 5.917 1.00 0.00 C ATOM 780 C GLN A 51 -9.090 4.976 5.809 1.00 0.00 C ATOM 781 O GLN A 51 -7.914 5.062 6.090 1.00 0.00 O ATOM 782 CB GLN A 51 -10.190 3.370 7.378 1.00 0.00 C ATOM 783 CG GLN A 51 -11.591 3.914 7.669 1.00 0.00 C ATOM 784 CD GLN A 51 -12.633 2.850 7.324 1.00 0.00 C ATOM 785 OE1 GLN A 51 -12.620 1.767 7.876 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.543 3.113 6.425 1.00 0.00 N ATOM 0 H GLN A 51 -7.957 2.662 5.653 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.746 3.678 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.155 2.299 7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.461 3.841 8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.674 4.192 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.771 4.817 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.554 4.022 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.242 2.410 6.186 1.00 0.00 H new ATOM 795 N MET A 52 -9.762 6.014 5.393 1.00 0.00 N ATOM 796 CA MET A 52 -9.082 7.334 5.260 1.00 0.00 C ATOM 797 C MET A 52 -8.604 7.815 6.633 1.00 0.00 C ATOM 798 O MET A 52 -9.393 8.132 7.500 1.00 0.00 O ATOM 799 CB MET A 52 -10.058 8.355 4.671 1.00 0.00 C ATOM 800 CG MET A 52 -10.199 8.117 3.166 1.00 0.00 C ATOM 801 SD MET A 52 -11.373 9.306 2.473 1.00 0.00 S ATOM 802 CE MET A 52 -10.394 9.773 1.024 1.00 0.00 C ATOM 0 H MET A 52 -10.750 6.006 5.140 1.00 0.00 H new ATOM 0 HA MET A 52 -8.222 7.229 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.030 8.267 5.156 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.699 9.367 4.858 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.230 8.221 2.678 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.543 7.100 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.939 10.514 0.440 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.443 10.195 1.348 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.209 8.891 0.410 1.00 0.00 H new ATOM 812 N GLY A 53 -7.314 7.880 6.833 1.00 0.00 N ATOM 813 CA GLY A 53 -6.782 8.347 8.146 1.00 0.00 C ATOM 814 C GLY A 53 -6.180 7.168 8.915 1.00 0.00 C ATOM 815 O GLY A 53 -5.354 7.342 9.789 1.00 0.00 O ATOM 0 H GLY A 53 -6.606 7.630 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.024 9.114 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.581 8.803 8.730 1.00 0.00 H new ATOM 819 N GLN A 54 -6.590 5.971 8.603 1.00 0.00 N ATOM 820 CA GLN A 54 -6.045 4.783 9.320 1.00 0.00 C ATOM 821 C GLN A 54 -4.574 4.579 8.947 1.00 0.00 C ATOM 822 O GLN A 54 -4.093 5.098 7.959 1.00 0.00 O ATOM 823 CB GLN A 54 -6.843 3.540 8.921 1.00 0.00 C ATOM 824 CG GLN A 54 -8.028 3.365 9.871 1.00 0.00 C ATOM 825 CD GLN A 54 -8.718 2.031 9.582 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.163 1.179 8.916 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.915 1.811 10.054 1.00 0.00 N ATOM 0 H GLN A 54 -7.280 5.763 7.881 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.125 4.945 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.198 3.637 7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.203 2.658 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.686 3.394 10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.733 4.187 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.382 2.525 10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.383 0.925 9.864 1.00 0.00 H new ATOM 836 N GLU A 55 -3.859 3.817 9.731 1.00 0.00 N ATOM 837 CA GLU A 55 -2.420 3.563 9.429 1.00 0.00 C ATOM 838 C GLU A 55 -2.234 2.081 9.096 1.00 0.00 C ATOM 839 O GLU A 55 -2.855 1.224 9.692 1.00 0.00 O ATOM 840 CB GLU A 55 -1.573 3.917 10.653 1.00 0.00 C ATOM 841 CG GLU A 55 -1.186 5.396 10.602 1.00 0.00 C ATOM 842 CD GLU A 55 0.315 5.537 10.857 1.00 0.00 C ATOM 843 OE1 GLU A 55 1.022 4.563 10.659 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.732 6.615 11.248 1.00 0.00 O ATOM 0 H GLU A 55 -4.211 3.358 10.571 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.108 4.175 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.131 3.708 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.677 3.297 10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.442 5.817 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.747 5.956 11.350 1.00 0.00 H new ATOM 851 N VAL A 56 -1.392 1.764 8.147 1.00 0.00 N ATOM 852 CA VAL A 56 -1.194 0.329 7.799 1.00 0.00 C ATOM 853 C VAL A 56 0.274 0.070 7.425 1.00 0.00 C ATOM 854 O VAL A 56 0.841 0.786 6.621 1.00 0.00 O ATOM 855 CB VAL A 56 -2.089 -0.032 6.611 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.552 0.223 6.979 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.709 0.830 5.405 1.00 0.00 C ATOM 0 H VAL A 56 -0.840 2.429 7.605 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.455 -0.284 8.662 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.955 -1.085 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.190 -0.034 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.823 -0.391 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.686 1.276 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.346 0.573 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.843 1.883 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.667 0.649 5.142 1.00 0.00 H new ATOM 867 N PRO A 57 0.844 -0.958 8.016 1.00 0.00 N ATOM 868 CA PRO A 57 2.240 -1.349 7.758 1.00 0.00 C ATOM 869 C PRO A 57 2.320 -2.156 6.460 1.00 0.00 C ATOM 870 O PRO A 57 1.365 -2.787 6.054 1.00 0.00 O ATOM 871 CB PRO A 57 2.596 -2.230 8.958 1.00 0.00 C ATOM 872 CG PRO A 57 1.255 -2.760 9.521 1.00 0.00 C ATOM 873 CD PRO A 57 0.153 -1.821 8.996 1.00 0.00 C ATOM 0 HA PRO A 57 2.913 -0.499 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.244 -3.053 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.136 -1.659 9.713 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.077 -3.785 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.269 -2.769 10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.658 -2.381 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.287 -1.234 9.802 1.00 0.00 H new ATOM 881 N VAL A 58 3.447 -2.149 5.807 1.00 0.00 N ATOM 882 CA VAL A 58 3.569 -2.925 4.544 1.00 0.00 C ATOM 883 C VAL A 58 5.022 -3.372 4.353 1.00 0.00 C ATOM 884 O VAL A 58 5.845 -3.245 5.238 1.00 0.00 O ATOM 885 CB VAL A 58 3.114 -2.053 3.358 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.032 -1.075 3.825 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.298 -1.261 2.792 1.00 0.00 C ATOM 0 H VAL A 58 4.285 -1.642 6.092 1.00 0.00 H new ATOM 0 HA VAL A 58 2.934 -3.810 4.594 1.00 0.00 H new ATOM 0 HB VAL A 58 2.715 -2.703 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.711 -0.459 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.179 -1.633 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.434 -0.436 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.960 -0.650 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.709 -0.617 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.068 -1.952 2.449 1.00 0.00 H new ATOM 897 N LYS A 59 5.339 -3.884 3.198 1.00 0.00 N ATOM 898 CA LYS A 59 6.734 -4.333 2.932 1.00 0.00 C ATOM 899 C LYS A 59 7.161 -3.853 1.544 1.00 0.00 C ATOM 900 O LYS A 59 6.398 -3.909 0.600 1.00 0.00 O ATOM 901 CB LYS A 59 6.799 -5.859 2.982 1.00 0.00 C ATOM 902 CG LYS A 59 7.746 -6.297 4.100 1.00 0.00 C ATOM 903 CD LYS A 59 6.962 -7.076 5.157 1.00 0.00 C ATOM 904 CE LYS A 59 7.892 -7.448 6.312 1.00 0.00 C ATOM 905 NZ LYS A 59 8.154 -8.914 6.283 1.00 0.00 N ATOM 0 H LYS A 59 4.689 -4.012 2.422 1.00 0.00 H new ATOM 0 HA LYS A 59 7.401 -3.917 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.804 -6.270 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.145 -6.250 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.544 -6.918 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.220 -5.426 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.131 -6.475 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.534 -7.976 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.830 -6.898 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.439 -7.167 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.787 -9.169 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.256 -9.429 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.603 -9.169 5.380 1.00 0.00 H new ATOM 919 N VAL A 60 8.371 -3.386 1.411 1.00 0.00 N ATOM 920 CA VAL A 60 8.844 -2.909 0.081 1.00 0.00 C ATOM 921 C VAL A 60 9.087 -4.117 -0.818 1.00 0.00 C ATOM 922 O VAL A 60 10.194 -4.600 -0.947 1.00 0.00 O ATOM 923 CB VAL A 60 10.144 -2.121 0.251 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.434 -1.333 -1.027 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.997 -1.150 1.424 1.00 0.00 C ATOM 0 H VAL A 60 9.053 -3.314 2.166 1.00 0.00 H new ATOM 0 HA VAL A 60 8.092 -2.260 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 60 10.965 -2.810 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.360 -0.771 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.535 -2.023 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.614 -0.642 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.922 -0.587 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.176 -0.461 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.788 -1.710 2.336 1.00 0.00 H new ATOM 1112 N LEU A 71 4.497 -2.006 -2.797 1.00 0.00 N ATOM 1113 CA LEU A 71 4.394 -2.223 -1.327 1.00 0.00 C ATOM 1114 C LEU A 71 3.479 -3.417 -1.056 1.00 0.00 C ATOM 1115 O LEU A 71 2.638 -3.765 -1.861 1.00 0.00 O ATOM 1116 CB LEU A 71 3.819 -0.973 -0.658 1.00 0.00 C ATOM 1117 CG LEU A 71 4.808 0.187 -0.797 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.398 1.323 0.143 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.216 -0.293 -0.428 1.00 0.00 C ATOM 0 HA LEU A 71 5.385 -2.422 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.866 -0.709 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.621 -1.171 0.395 1.00 0.00 H new ATOM 0 HG LEU A 71 4.803 0.545 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.102 2.149 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.397 1.667 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.403 0.963 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.920 0.533 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.220 -0.652 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.511 -1.103 -1.095 1.00 0.00 H new ATOM 1131 N SER A 72 3.651 -4.053 0.065 1.00 0.00 N ATOM 1132 CA SER A 72 2.811 -5.236 0.389 1.00 0.00 C ATOM 1133 C SER A 72 2.205 -5.081 1.786 1.00 0.00 C ATOM 1134 O SER A 72 2.908 -5.019 2.775 1.00 0.00 O ATOM 1135 CB SER A 72 3.691 -6.475 0.350 1.00 0.00 C ATOM 1136 OG SER A 72 3.231 -7.348 -0.673 1.00 0.00 O ATOM 0 H SER A 72 4.340 -3.804 0.774 1.00 0.00 H new ATOM 0 HA SER A 72 2.001 -5.325 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.727 -6.193 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.667 -6.982 1.314 1.00 0.00 H new ATOM 0 HG SER A 72 3.798 -8.147 -0.701 1.00 0.00 H new ATOM 1142 N ILE A 73 0.903 -5.024 1.876 1.00 0.00 N ATOM 1143 CA ILE A 73 0.256 -4.876 3.211 1.00 0.00 C ATOM 1144 C ILE A 73 0.724 -6.021 4.125 1.00 0.00 C ATOM 1145 O ILE A 73 0.748 -7.171 3.734 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.281 -4.867 3.028 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.829 -3.527 3.525 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.959 -6.006 3.805 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.357 -3.580 3.569 1.00 0.00 C ATOM 0 H ILE A 73 0.261 -5.073 1.085 1.00 0.00 H new ATOM 0 HA ILE A 73 0.542 -3.935 3.682 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.497 -5.010 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.434 -3.307 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.502 -2.722 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.037 -5.962 3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.580 -6.964 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.742 -5.901 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.744 -2.625 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.743 -3.780 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.674 -4.373 4.246 1.00 0.00 H new ATOM 1161 N LYS A 74 1.110 -5.703 5.331 1.00 0.00 N ATOM 1162 CA LYS A 74 1.593 -6.756 6.273 1.00 0.00 C ATOM 1163 C LYS A 74 0.686 -7.978 6.200 1.00 0.00 C ATOM 1164 O LYS A 74 1.120 -9.101 6.362 1.00 0.00 O ATOM 1165 CB LYS A 74 1.590 -6.205 7.700 1.00 0.00 C ATOM 1166 CG LYS A 74 2.001 -7.312 8.671 1.00 0.00 C ATOM 1167 CD LYS A 74 3.374 -6.989 9.260 1.00 0.00 C ATOM 1168 CE LYS A 74 3.200 -6.281 10.603 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.254 -6.744 11.548 1.00 0.00 N ATOM 0 H LYS A 74 1.112 -4.755 5.707 1.00 0.00 H new ATOM 0 HA LYS A 74 2.606 -7.046 5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.278 -5.363 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.598 -5.831 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.264 -7.403 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.032 -8.271 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.949 -7.905 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.936 -6.356 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.266 -5.201 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.212 -6.491 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.136 -6.263 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.171 -7.772 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.192 -6.522 11.158 1.00 0.00 H new