USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc=0.000299 USER MOD Set 1.2: A 28 ASN : amide:sc= -1.93 K(o=-1.9,f=-1.4) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -1.02 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 13 SER OG : rot -74:sc= 0.292 USER MOD Set 4.2: A 14 GLN : amide:sc= -0.962! C(o=-0.67!,f=-2.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-5.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 52:sc= -0.246 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.946 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=-0.55) USER MOD Single : A 95 LYS NZ :NH3+ -141:sc= 0.237 (180deg=0.0139) USER MOD Single : A 98 SER OG : rot 26:sc= 0.109 USER MOD Single : A 100 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 105 THR OG1 : rot 174:sc= 1.52 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.602 -11.364 7.679 1.00 0.00 N ATOM 116 CA ARG A 11 -1.161 -10.242 8.425 1.00 0.00 C ATOM 117 C ARG A 11 -0.447 -8.942 8.067 1.00 0.00 C ATOM 118 O ARG A 11 0.632 -8.957 7.473 1.00 0.00 O ATOM 119 CB ARG A 11 -1.053 -10.499 9.929 1.00 0.00 C ATOM 120 CG ARG A 11 -1.777 -11.755 10.386 1.00 0.00 C ATOM 121 CD ARG A 11 -3.280 -11.537 10.457 1.00 0.00 C ATOM 122 NE ARG A 11 -4.024 -12.770 10.212 1.00 0.00 N ATOM 123 CZ ARG A 11 -4.148 -13.744 11.107 1.00 0.00 C ATOM 124 NH1 ARG A 11 -3.579 -13.629 12.299 1.00 0.00 N ATOM 125 NH2 ARG A 11 -4.841 -14.836 10.809 1.00 0.00 N ATOM 0 HA ARG A 11 -2.212 -10.145 8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.000 -10.577 10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.458 -9.641 10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.559 -12.572 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.405 -12.055 11.366 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.543 -11.144 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.572 -10.785 9.724 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.473 -12.890 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.045 -12.791 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.676 -14.378 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.279 -14.928 9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.936 -15.583 11.497 1.00 0.00 H new ATOM 139 N LEU A 12 -1.056 -7.819 8.433 1.00 0.00 N ATOM 140 CA LEU A 12 -0.479 -6.509 8.151 1.00 0.00 C ATOM 141 C LEU A 12 0.333 -6.005 9.339 1.00 0.00 C ATOM 142 O LEU A 12 0.140 -6.450 10.470 1.00 0.00 O ATOM 143 CB LEU A 12 -1.583 -5.507 7.810 1.00 0.00 C ATOM 144 CG LEU A 12 -2.032 -5.473 6.349 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.341 -4.713 6.210 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.954 -4.848 5.475 1.00 0.00 C ATOM 0 H LEU A 12 -1.949 -7.789 8.925 1.00 0.00 H new ATOM 0 HA LEU A 12 0.189 -6.609 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.451 -5.729 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.239 -4.510 8.087 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.194 -6.498 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.644 -4.699 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.111 -5.204 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.207 -3.690 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.290 -4.832 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.760 -3.829 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.039 -5.435 5.550 1.00 0.00 H new ATOM 158 N SER A 13 1.242 -5.071 9.075 1.00 0.00 N ATOM 159 CA SER A 13 2.085 -4.506 10.122 1.00 0.00 C ATOM 160 C SER A 13 1.535 -3.165 10.597 1.00 0.00 C ATOM 161 O SER A 13 0.517 -2.687 10.097 1.00 0.00 O ATOM 162 CB SER A 13 3.517 -4.332 9.614 1.00 0.00 C ATOM 163 OG SER A 13 4.452 -4.454 10.672 1.00 0.00 O ATOM 0 H SER A 13 1.413 -4.690 8.145 1.00 0.00 H new ATOM 0 HA SER A 13 2.088 -5.197 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.728 -5.080 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.623 -3.355 9.142 1.00 0.00 H new ATOM 0 HG SER A 13 4.428 -3.645 11.225 1.00 0.00 H new ATOM 169 N GLN A 14 2.217 -2.563 11.567 1.00 0.00 N ATOM 170 CA GLN A 14 1.796 -1.277 12.111 1.00 0.00 C ATOM 171 C GLN A 14 1.721 -0.221 11.014 1.00 0.00 C ATOM 172 O GLN A 14 2.745 0.207 10.478 1.00 0.00 O ATOM 173 CB GLN A 14 2.762 -0.824 13.207 1.00 0.00 C ATOM 174 CG GLN A 14 4.190 -1.300 12.995 1.00 0.00 C ATOM 175 CD GLN A 14 4.460 -2.642 13.645 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.835 -3.605 12.975 1.00 0.00 O ATOM 177 NE2 GLN A 14 4.271 -2.714 14.957 1.00 0.00 N ATOM 0 H GLN A 14 3.062 -2.945 11.992 1.00 0.00 H new ATOM 0 HA GLN A 14 0.802 -1.399 12.540 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.755 0.265 13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.405 -1.191 14.169 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.390 -1.372 11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.880 -0.559 13.400 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.960 -1.891 15.473 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.437 -3.592 15.449 1.00 0.00 H new ATOM 186 N LEU A 15 0.504 0.197 10.684 1.00 0.00 N ATOM 187 CA LEU A 15 0.295 1.204 9.650 1.00 0.00 C ATOM 188 C LEU A 15 0.391 2.611 10.232 1.00 0.00 C ATOM 189 O LEU A 15 -0.530 3.083 10.898 1.00 0.00 O ATOM 190 CB LEU A 15 -1.070 1.007 8.987 1.00 0.00 C ATOM 191 CG LEU A 15 -1.607 2.197 8.191 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.875 2.327 6.864 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.105 2.053 7.963 1.00 0.00 C ATOM 0 H LEU A 15 -0.353 -0.146 11.118 1.00 0.00 H new ATOM 0 HA LEU A 15 1.077 1.086 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.007 0.148 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.795 0.756 9.761 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.432 3.104 8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.271 3.179 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.189 2.477 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.017 1.418 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.470 2.909 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.302 1.137 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.617 2.010 8.924 1.00 0.00 H new ATOM 205 N SER A 16 1.513 3.276 9.975 1.00 0.00 N ATOM 206 CA SER A 16 1.731 4.629 10.475 1.00 0.00 C ATOM 207 C SER A 16 1.595 5.652 9.351 1.00 0.00 C ATOM 208 O SER A 16 1.693 5.312 8.172 1.00 0.00 O ATOM 209 CB SER A 16 3.115 4.741 11.117 1.00 0.00 C ATOM 210 OG SER A 16 3.306 3.734 12.096 1.00 0.00 O ATOM 0 H SER A 16 2.285 2.900 9.424 1.00 0.00 H new ATOM 0 HA SER A 16 0.971 4.839 11.228 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.884 4.656 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.229 5.724 11.575 1.00 0.00 H new ATOM 0 HG SER A 16 4.198 3.826 12.490 1.00 0.00 H new ATOM 216 N VAL A 17 1.368 6.907 9.726 1.00 0.00 N ATOM 217 CA VAL A 17 1.220 7.981 8.752 1.00 0.00 C ATOM 218 C VAL A 17 2.372 8.974 8.849 1.00 0.00 C ATOM 219 O VAL A 17 2.650 9.519 9.918 1.00 0.00 O ATOM 220 CB VAL A 17 -0.110 8.734 8.945 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.279 9.801 7.875 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.280 7.761 8.929 1.00 0.00 C ATOM 0 H VAL A 17 1.283 7.205 10.698 1.00 0.00 H new ATOM 0 HA VAL A 17 1.227 7.517 7.766 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.091 9.228 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.224 10.323 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.543 10.514 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.278 9.333 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.212 8.310 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.305 7.238 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.163 7.037 9.736 1.00 0.00 H new ATOM 232 N THR A 18 3.042 9.207 7.724 1.00 0.00 N ATOM 233 CA THR A 18 4.165 10.135 7.681 1.00 0.00 C ATOM 234 C THR A 18 3.885 11.294 6.732 1.00 0.00 C ATOM 235 O THR A 18 2.877 11.301 6.025 1.00 0.00 O ATOM 236 CB THR A 18 5.461 9.428 7.242 1.00 0.00 C ATOM 237 OG1 THR A 18 5.337 8.972 5.890 1.00 0.00 O ATOM 238 CG2 THR A 18 5.770 8.250 8.153 1.00 0.00 C ATOM 0 H THR A 18 2.826 8.765 6.830 1.00 0.00 H new ATOM 0 HA THR A 18 4.295 10.521 8.692 1.00 0.00 H new ATOM 0 HB THR A 18 6.280 10.144 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.166 8.525 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.690 7.766 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.893 8.604 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.949 7.534 8.113 1.00 0.00 H new ATOM 246 N ASP A 19 4.783 12.273 6.720 1.00 0.00 N ATOM 247 CA ASP A 19 4.633 13.438 5.855 1.00 0.00 C ATOM 248 C ASP A 19 3.239 14.041 5.993 1.00 0.00 C ATOM 249 O ASP A 19 2.650 14.499 5.014 1.00 0.00 O ATOM 250 CB ASP A 19 4.895 13.054 4.398 1.00 0.00 C ATOM 251 CG ASP A 19 6.368 13.098 4.043 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.966 14.191 4.128 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.923 12.040 3.680 1.00 0.00 O ATOM 0 H ASP A 19 5.622 12.283 7.299 1.00 0.00 H new ATOM 0 HA ASP A 19 5.364 14.186 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.510 12.051 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.346 13.730 3.743 1.00 0.00 H new ATOM 258 N VAL A 20 2.716 14.038 7.215 1.00 0.00 N ATOM 259 CA VAL A 20 1.391 14.585 7.482 1.00 0.00 C ATOM 260 C VAL A 20 1.210 15.939 6.805 1.00 0.00 C ATOM 261 O VAL A 20 1.735 16.952 7.267 1.00 0.00 O ATOM 262 CB VAL A 20 1.142 14.741 8.994 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.321 15.057 9.264 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.572 13.485 9.737 1.00 0.00 C ATOM 0 H VAL A 20 3.190 13.663 8.036 1.00 0.00 H new ATOM 0 HA VAL A 20 0.668 13.878 7.074 1.00 0.00 H new ATOM 0 HB VAL A 20 1.742 15.574 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.478 15.164 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.591 15.987 8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.944 14.247 8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.389 13.613 10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.001 12.632 9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.635 13.309 9.570 1.00 0.00 H new ATOM 274 N THR A 21 0.461 15.950 5.707 1.00 0.00 N ATOM 275 CA THR A 21 0.210 17.179 4.965 1.00 0.00 C ATOM 276 C THR A 21 -0.983 17.934 5.540 1.00 0.00 C ATOM 277 O THR A 21 -1.794 17.368 6.274 1.00 0.00 O ATOM 278 CB THR A 21 -0.048 16.893 3.474 1.00 0.00 C ATOM 279 OG1 THR A 21 0.717 15.757 3.054 1.00 0.00 O ATOM 280 CG2 THR A 21 0.316 18.099 2.621 1.00 0.00 C ATOM 0 H THR A 21 0.017 15.121 5.312 1.00 0.00 H new ATOM 0 HA THR A 21 1.105 17.793 5.059 1.00 0.00 H new ATOM 0 HB THR A 21 -1.110 16.684 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.546 15.580 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.125 17.873 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.288 18.954 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.372 18.334 2.755 1.00 0.00 H new ATOM 288 N THR A 22 -1.087 19.215 5.200 1.00 0.00 N ATOM 289 CA THR A 22 -2.182 20.047 5.682 1.00 0.00 C ATOM 290 C THR A 22 -3.532 19.401 5.395 1.00 0.00 C ATOM 291 O THR A 22 -4.406 19.356 6.260 1.00 0.00 O ATOM 292 CB THR A 22 -2.148 21.447 5.040 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.059 21.331 3.616 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.970 22.254 5.564 1.00 0.00 C ATOM 0 H THR A 22 -0.426 19.699 4.592 1.00 0.00 H new ATOM 0 HA THR A 22 -2.053 20.146 6.760 1.00 0.00 H new ATOM 0 HB THR A 22 -3.069 21.966 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.040 22.225 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.967 23.239 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.057 22.366 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.040 21.737 5.327 1.00 0.00 H new ATOM 302 N SER A 23 -3.696 18.902 4.174 1.00 0.00 N ATOM 303 CA SER A 23 -4.942 18.260 3.771 1.00 0.00 C ATOM 304 C SER A 23 -4.675 16.879 3.180 1.00 0.00 C ATOM 305 O SER A 23 -5.522 16.315 2.487 1.00 0.00 O ATOM 306 CB SER A 23 -5.681 19.129 2.752 1.00 0.00 C ATOM 307 OG SER A 23 -4.809 19.562 1.722 1.00 0.00 O ATOM 0 H SER A 23 -2.982 18.930 3.446 1.00 0.00 H new ATOM 0 HA SER A 23 -5.565 18.142 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.507 18.565 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.114 19.994 3.254 1.00 0.00 H new ATOM 0 HG SER A 23 -5.306 20.114 1.083 1.00 0.00 H new ATOM 313 N SER A 24 -3.493 16.341 3.460 1.00 0.00 N ATOM 314 CA SER A 24 -3.112 15.027 2.954 1.00 0.00 C ATOM 315 C SER A 24 -2.057 14.385 3.849 1.00 0.00 C ATOM 316 O SER A 24 -1.638 14.967 4.851 1.00 0.00 O ATOM 317 CB SER A 24 -2.581 15.143 1.524 1.00 0.00 C ATOM 318 OG SER A 24 -1.984 16.409 1.302 1.00 0.00 O ATOM 0 H SER A 24 -2.782 16.794 4.034 1.00 0.00 H new ATOM 0 HA SER A 24 -3.999 14.393 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.850 14.356 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.397 14.993 0.817 1.00 0.00 H new ATOM 0 HG SER A 24 -1.651 16.457 0.381 1.00 0.00 H new ATOM 324 N LEU A 25 -1.632 13.181 3.482 1.00 0.00 N ATOM 325 CA LEU A 25 -0.625 12.458 4.251 1.00 0.00 C ATOM 326 C LEU A 25 -0.166 11.208 3.507 1.00 0.00 C ATOM 327 O LEU A 25 -0.657 10.905 2.420 1.00 0.00 O ATOM 328 CB LEU A 25 -1.183 12.072 5.623 1.00 0.00 C ATOM 329 CG LEU A 25 -2.688 11.812 5.686 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.040 10.529 4.950 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.157 11.746 7.132 1.00 0.00 C ATOM 0 H LEU A 25 -1.969 12.685 2.657 1.00 0.00 H new ATOM 0 HA LEU A 25 0.234 13.115 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.665 11.176 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.942 12.868 6.328 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.201 12.639 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.115 10.361 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.740 10.615 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.517 9.690 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.231 11.560 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.636 10.938 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.940 12.692 7.628 1.00 0.00 H new ATOM 343 N ARG A 26 0.778 10.485 4.101 1.00 0.00 N ATOM 344 CA ARG A 26 1.304 9.268 3.495 1.00 0.00 C ATOM 345 C ARG A 26 1.210 8.094 4.465 1.00 0.00 C ATOM 346 O ARG A 26 1.272 8.273 5.682 1.00 0.00 O ATOM 347 CB ARG A 26 2.757 9.473 3.064 1.00 0.00 C ATOM 348 CG ARG A 26 3.361 8.267 2.365 1.00 0.00 C ATOM 349 CD ARG A 26 4.837 8.478 2.064 1.00 0.00 C ATOM 350 NE ARG A 26 5.446 7.298 1.456 1.00 0.00 N ATOM 351 CZ ARG A 26 6.631 7.310 0.856 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.330 8.434 0.783 1.00 0.00 N ATOM 353 NH2 ARG A 26 7.119 6.195 0.326 1.00 0.00 N ATOM 0 H ARG A 26 1.194 10.721 5.002 1.00 0.00 H new ATOM 0 HA ARG A 26 0.701 9.040 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.811 10.334 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.357 9.712 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.239 7.383 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.823 8.076 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.952 9.331 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.364 8.723 2.986 1.00 0.00 H new ATOM 0 HE ARG A 26 4.934 6.417 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.958 9.293 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.240 8.440 0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.584 5.328 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.029 6.205 -0.135 1.00 0.00 H new ATOM 367 N LEU A 27 1.061 6.892 3.918 1.00 0.00 N ATOM 368 CA LEU A 27 0.958 5.688 4.735 1.00 0.00 C ATOM 369 C LEU A 27 2.114 4.735 4.447 1.00 0.00 C ATOM 370 O LEU A 27 2.736 4.800 3.387 1.00 0.00 O ATOM 371 CB LEU A 27 -0.375 4.984 4.475 1.00 0.00 C ATOM 372 CG LEU A 27 -1.604 5.609 5.136 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.857 4.821 4.786 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.420 5.680 6.645 1.00 0.00 C ATOM 0 H LEU A 27 1.009 6.726 2.913 1.00 0.00 H new ATOM 0 HA LEU A 27 1.007 5.984 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.543 4.953 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.290 3.952 4.814 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.720 6.624 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.721 5.280 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.998 4.823 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.751 3.794 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.304 6.127 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.278 4.675 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.546 6.289 6.877 1.00 0.00 H new ATOM 386 N ASN A 28 2.395 3.849 5.397 1.00 0.00 N ATOM 387 CA ASN A 28 3.475 2.881 5.245 1.00 0.00 C ATOM 388 C ASN A 28 3.218 1.641 6.096 1.00 0.00 C ATOM 389 O ASN A 28 3.127 1.725 7.321 1.00 0.00 O ATOM 390 CB ASN A 28 4.813 3.513 5.635 1.00 0.00 C ATOM 391 CG ASN A 28 5.101 4.783 4.858 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.625 4.736 3.744 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.761 5.925 5.442 1.00 0.00 N ATOM 0 H ASN A 28 1.890 3.781 6.280 1.00 0.00 H new ATOM 0 HA ASN A 28 3.515 2.580 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.809 3.736 6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.615 2.795 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.931 6.811 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.329 5.916 6.366 1.00 0.00 H new ATOM 400 N TRP A 29 3.103 0.493 5.439 1.00 0.00 N ATOM 401 CA TRP A 29 2.858 -0.765 6.135 1.00 0.00 C ATOM 402 C TRP A 29 3.747 -1.874 5.585 1.00 0.00 C ATOM 403 O TRP A 29 4.063 -1.896 4.396 1.00 0.00 O ATOM 404 CB TRP A 29 1.386 -1.163 6.007 1.00 0.00 C ATOM 405 CG TRP A 29 0.940 -1.340 4.587 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.939 -2.500 3.867 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.432 -0.323 3.716 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.460 -2.266 2.600 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.141 -0.939 2.483 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.191 1.046 3.859 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.375 -0.230 1.401 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.321 1.747 2.784 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.600 1.109 1.569 1.00 0.00 C ATOM 0 H TRP A 29 3.175 0.407 4.425 1.00 0.00 H new ATOM 0 HA TRP A 29 3.099 -0.622 7.188 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.220 -2.093 6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.768 -0.401 6.482 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.266 -3.460 4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.359 -2.967 1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.401 1.547 4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.590 -0.720 0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.509 2.806 2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.001 1.685 0.748 1.00 0.00 H new ATOM 424 N GLU A 30 4.148 -2.793 6.458 1.00 0.00 N ATOM 425 CA GLU A 30 5.002 -3.905 6.058 1.00 0.00 C ATOM 426 C GLU A 30 4.187 -5.184 5.887 1.00 0.00 C ATOM 427 O GLU A 30 3.352 -5.517 6.728 1.00 0.00 O ATOM 428 CB GLU A 30 6.107 -4.126 7.092 1.00 0.00 C ATOM 429 CG GLU A 30 6.887 -5.414 6.884 1.00 0.00 C ATOM 430 CD GLU A 30 7.672 -5.825 8.114 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.072 -4.932 8.890 1.00 0.00 O ATOM 432 OE2 GLU A 30 7.887 -7.042 8.301 1.00 0.00 O ATOM 0 H GLU A 30 3.895 -2.789 7.446 1.00 0.00 H new ATOM 0 HA GLU A 30 5.456 -3.654 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.798 -3.283 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.664 -4.136 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.196 -6.213 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.572 -5.288 6.046 1.00 0.00 H new ATOM 439 N ALA A 31 4.435 -5.895 4.792 1.00 0.00 N ATOM 440 CA ALA A 31 3.725 -7.137 4.512 1.00 0.00 C ATOM 441 C ALA A 31 4.646 -8.157 3.850 1.00 0.00 C ATOM 442 O ALA A 31 5.514 -7.817 3.047 1.00 0.00 O ATOM 443 CB ALA A 31 2.515 -6.866 3.631 1.00 0.00 C ATOM 0 H ALA A 31 5.122 -5.632 4.085 1.00 0.00 H new ATOM 0 HA ALA A 31 3.384 -7.554 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.994 -7.802 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.841 -6.178 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.842 -6.423 2.690 1.00 0.00 H new ATOM 449 N PRO A 32 4.454 -9.440 4.195 1.00 0.00 N ATOM 450 CA PRO A 32 5.258 -10.536 3.645 1.00 0.00 C ATOM 451 C PRO A 32 4.966 -10.786 2.170 1.00 0.00 C ATOM 452 O PRO A 32 3.991 -10.283 1.611 1.00 0.00 O ATOM 453 CB PRO A 32 4.834 -11.742 4.487 1.00 0.00 C ATOM 454 CG PRO A 32 3.462 -11.410 4.961 1.00 0.00 C ATOM 455 CD PRO A 32 3.437 -9.918 5.146 1.00 0.00 C ATOM 0 HA PRO A 32 6.326 -10.321 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.838 -12.658 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.515 -11.899 5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.712 -11.726 4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.238 -11.923 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.454 -9.502 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.680 -9.636 6.170 1.00 0.00 H new ATOM 463 N PRO A 33 5.828 -11.582 1.522 1.00 0.00 N ATOM 464 CA PRO A 33 5.682 -11.919 0.102 1.00 0.00 C ATOM 465 C PRO A 33 4.491 -12.834 -0.157 1.00 0.00 C ATOM 466 O PRO A 33 4.083 -13.600 0.714 1.00 0.00 O ATOM 467 CB PRO A 33 6.992 -12.639 -0.228 1.00 0.00 C ATOM 468 CG PRO A 33 7.457 -13.196 1.073 1.00 0.00 C ATOM 469 CD PRO A 33 7.013 -12.217 2.125 1.00 0.00 C ATOM 0 HA PRO A 33 5.499 -11.036 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.835 -13.428 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.726 -11.952 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.028 -14.182 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.541 -13.314 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.768 -12.717 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.791 -11.487 2.348 1.00 0.00 H new ATOM 477 N GLY A 34 3.936 -12.749 -1.363 1.00 0.00 N ATOM 478 CA GLY A 34 2.797 -13.575 -1.715 1.00 0.00 C ATOM 479 C GLY A 34 1.721 -13.565 -0.647 1.00 0.00 C ATOM 480 O GLY A 34 1.010 -14.553 -0.464 1.00 0.00 O ATOM 0 H GLY A 34 4.256 -12.123 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.374 -13.223 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.132 -14.599 -1.879 1.00 0.00 H new ATOM 484 N ALA A 35 1.602 -12.446 0.060 1.00 0.00 N ATOM 485 CA ALA A 35 0.605 -12.312 1.115 1.00 0.00 C ATOM 486 C ALA A 35 -0.765 -11.974 0.536 1.00 0.00 C ATOM 487 O ALA A 35 -1.697 -12.775 0.612 1.00 0.00 O ATOM 488 CB ALA A 35 1.035 -11.249 2.115 1.00 0.00 C ATOM 0 H ALA A 35 2.183 -11.619 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 35 0.526 -13.269 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.281 -11.159 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.988 -11.533 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.144 -10.292 1.605 1.00 0.00 H new ATOM 494 N PHE A 36 -0.880 -10.783 -0.042 1.00 0.00 N ATOM 495 CA PHE A 36 -2.137 -10.338 -0.632 1.00 0.00 C ATOM 496 C PHE A 36 -1.927 -9.868 -2.068 1.00 0.00 C ATOM 497 O PHE A 36 -0.838 -9.426 -2.435 1.00 0.00 O ATOM 498 CB PHE A 36 -2.745 -9.209 0.202 1.00 0.00 C ATOM 499 CG PHE A 36 -2.615 -9.420 1.683 1.00 0.00 C ATOM 500 CD1 PHE A 36 -1.487 -8.988 2.362 1.00 0.00 C ATOM 501 CD2 PHE A 36 -3.621 -10.052 2.397 1.00 0.00 C ATOM 502 CE1 PHE A 36 -1.364 -9.181 3.725 1.00 0.00 C ATOM 503 CE2 PHE A 36 -3.504 -10.247 3.760 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.373 -9.813 4.425 1.00 0.00 C ATOM 0 H PHE A 36 -0.118 -10.109 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.824 -11.184 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.262 -8.269 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.800 -9.109 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.694 -8.494 1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.506 -10.396 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.480 -8.838 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.296 -10.738 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.278 -9.968 5.490 1.00 0.00 H new ATOM 514 N ASP A 37 -2.977 -9.967 -2.876 1.00 0.00 N ATOM 515 CA ASP A 37 -2.909 -9.553 -4.273 1.00 0.00 C ATOM 516 C ASP A 37 -2.806 -8.035 -4.384 1.00 0.00 C ATOM 517 O ASP A 37 -2.011 -7.512 -5.165 1.00 0.00 O ATOM 518 CB ASP A 37 -4.138 -10.050 -5.035 1.00 0.00 C ATOM 519 CG ASP A 37 -4.008 -11.500 -5.459 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.977 -12.378 -4.571 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.939 -11.757 -6.679 1.00 0.00 O ATOM 0 H ASP A 37 -3.885 -10.330 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.015 -9.994 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.022 -9.936 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.291 -9.429 -5.917 1.00 0.00 H new ATOM 526 N SER A 38 -3.616 -7.332 -3.599 1.00 0.00 N ATOM 527 CA SER A 38 -3.620 -5.874 -3.613 1.00 0.00 C ATOM 528 C SER A 38 -4.010 -5.319 -2.247 1.00 0.00 C ATOM 529 O SER A 38 -4.266 -6.073 -1.307 1.00 0.00 O ATOM 530 CB SER A 38 -4.585 -5.356 -4.681 1.00 0.00 C ATOM 531 OG SER A 38 -5.780 -6.118 -4.702 1.00 0.00 O ATOM 0 H SER A 38 -4.278 -7.749 -2.945 1.00 0.00 H new ATOM 0 HA SER A 38 -2.612 -5.535 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.821 -4.310 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.106 -5.398 -5.659 1.00 0.00 H new ATOM 0 HG SER A 38 -6.381 -5.766 -5.392 1.00 0.00 H new ATOM 537 N PHE A 39 -4.054 -3.995 -2.143 1.00 0.00 N ATOM 538 CA PHE A 39 -4.411 -3.336 -0.892 1.00 0.00 C ATOM 539 C PHE A 39 -5.471 -2.264 -1.126 1.00 0.00 C ATOM 540 O PHE A 39 -5.264 -1.328 -1.900 1.00 0.00 O ATOM 541 CB PHE A 39 -3.172 -2.713 -0.247 1.00 0.00 C ATOM 542 CG PHE A 39 -2.369 -3.683 0.571 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.905 -4.255 1.714 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.079 -4.024 0.198 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.169 -5.149 2.469 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.339 -4.917 0.949 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.884 -5.479 2.087 1.00 0.00 C ATOM 0 H PHE A 39 -3.847 -3.357 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.822 -4.088 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.537 -2.296 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.482 -1.883 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.909 -3.999 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.647 -3.587 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.599 -5.589 3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.665 -5.175 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.306 -6.175 2.677 1.00 0.00 H new ATOM 557 N LEU A 40 -6.607 -2.407 -0.452 1.00 0.00 N ATOM 558 CA LEU A 40 -7.701 -1.452 -0.585 1.00 0.00 C ATOM 559 C LEU A 40 -7.811 -0.573 0.657 1.00 0.00 C ATOM 560 O LEU A 40 -8.288 -1.015 1.703 1.00 0.00 O ATOM 561 CB LEU A 40 -9.021 -2.187 -0.822 1.00 0.00 C ATOM 562 CG LEU A 40 -10.175 -1.340 -1.360 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.844 -0.805 -2.744 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.462 -2.152 -1.394 1.00 0.00 C ATOM 0 H LEU A 40 -6.794 -3.175 0.192 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.490 -0.813 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.839 -3.003 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.336 -2.638 0.119 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.321 -0.492 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.677 -0.205 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.947 -0.188 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.670 -1.639 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.272 -1.533 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.328 -3.019 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.708 -2.486 -0.386 1.00 0.00 H new ATOM 576 N LEU A 41 -7.369 0.674 0.534 1.00 0.00 N ATOM 577 CA LEU A 41 -7.420 1.616 1.647 1.00 0.00 C ATOM 578 C LEU A 41 -8.727 2.403 1.634 1.00 0.00 C ATOM 579 O LEU A 41 -9.102 2.986 0.617 1.00 0.00 O ATOM 580 CB LEU A 41 -6.232 2.577 1.581 1.00 0.00 C ATOM 581 CG LEU A 41 -6.233 3.717 2.600 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.854 3.200 3.979 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.284 4.824 2.164 1.00 0.00 C ATOM 0 H LEU A 41 -6.972 1.056 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.369 1.048 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.316 2.000 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.196 3.010 0.581 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.240 4.130 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.860 4.025 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.573 2.443 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.857 2.760 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.298 5.627 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.273 4.425 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.600 5.214 1.197 1.00 0.00 H new ATOM 595 N ARG A 42 -9.413 2.418 2.772 1.00 0.00 N ATOM 596 CA ARG A 42 -10.677 3.134 2.892 1.00 0.00 C ATOM 597 C ARG A 42 -10.601 4.190 3.991 1.00 0.00 C ATOM 598 O ARG A 42 -10.448 3.865 5.169 1.00 0.00 O ATOM 599 CB ARG A 42 -11.816 2.157 3.187 1.00 0.00 C ATOM 600 CG ARG A 42 -12.478 1.597 1.938 1.00 0.00 C ATOM 601 CD ARG A 42 -13.885 1.101 2.228 1.00 0.00 C ATOM 602 NE ARG A 42 -14.571 0.660 1.016 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.777 0.103 1.015 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.427 -0.081 2.156 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.335 -0.272 -0.129 1.00 0.00 N ATOM 0 H ARG A 42 -9.115 1.943 3.624 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.874 3.634 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.429 1.331 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.569 2.662 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.514 2.367 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.877 0.778 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.839 0.276 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.460 1.897 2.700 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.098 0.787 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.001 0.205 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.353 -0.509 2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.838 -0.133 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.261 -0.700 -0.129 1.00 0.00 H new ATOM 619 N PHE A 43 -10.709 5.455 3.599 1.00 0.00 N ATOM 620 CA PHE A 43 -10.652 6.558 4.550 1.00 0.00 C ATOM 621 C PHE A 43 -11.986 7.295 4.610 1.00 0.00 C ATOM 622 O PHE A 43 -12.458 7.832 3.608 1.00 0.00 O ATOM 623 CB PHE A 43 -9.535 7.532 4.166 1.00 0.00 C ATOM 624 CG PHE A 43 -9.439 7.781 2.688 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.037 6.773 1.827 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.749 9.024 2.160 1.00 0.00 C ATOM 627 CE1 PHE A 43 -8.948 6.998 0.466 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.662 9.255 0.800 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.259 8.242 -0.047 1.00 0.00 C ATOM 0 H PHE A 43 -10.837 5.742 2.628 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.442 6.144 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.700 8.481 4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.583 7.139 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.790 5.799 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.062 9.821 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.636 6.203 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.909 10.227 0.400 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.187 8.422 -1.109 1.00 0.00 H new ATOM 639 N GLY A 44 -12.591 7.316 5.794 1.00 0.00 N ATOM 640 CA GLY A 44 -13.866 7.989 5.964 1.00 0.00 C ATOM 641 C GLY A 44 -13.858 8.962 7.125 1.00 0.00 C ATOM 642 O GLY A 44 -13.076 8.813 8.064 1.00 0.00 O ATOM 0 H GLY A 44 -12.221 6.879 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.116 8.524 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.647 7.246 6.122 1.00 0.00 H new ATOM 646 N VAL A 45 -14.729 9.964 7.062 1.00 0.00 N ATOM 647 CA VAL A 45 -14.819 10.967 8.116 1.00 0.00 C ATOM 648 C VAL A 45 -15.641 10.455 9.293 1.00 0.00 C ATOM 649 O VAL A 45 -16.855 10.268 9.201 1.00 0.00 O ATOM 650 CB VAL A 45 -15.447 12.274 7.596 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.492 13.321 8.698 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.678 12.791 6.389 1.00 0.00 C ATOM 0 H VAL A 45 -15.383 10.103 6.291 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.801 11.169 8.448 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.471 12.066 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.939 14.237 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.090 12.948 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.479 13.529 9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.135 13.715 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.643 12.984 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.704 12.045 5.594 1.00 0.00 H new ATOM 662 N PRO A 46 -14.966 10.222 10.429 1.00 0.00 N ATOM 663 CA PRO A 46 -15.615 9.728 11.648 1.00 0.00 C ATOM 664 C PRO A 46 -16.522 10.775 12.286 1.00 0.00 C ATOM 665 O PRO A 46 -16.055 11.816 12.748 1.00 0.00 O ATOM 666 CB PRO A 46 -14.437 9.407 12.571 1.00 0.00 C ATOM 667 CG PRO A 46 -13.333 10.287 12.097 1.00 0.00 C ATOM 668 CD PRO A 46 -13.519 10.422 10.611 1.00 0.00 C ATOM 0 HA PRO A 46 -16.263 8.874 11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.684 9.609 13.613 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.160 8.355 12.507 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.373 11.261 12.585 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.361 9.853 12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.201 11.401 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.939 9.679 10.064 1.00 0.00 H new ATOM 923 N GLU A 62 -11.338 5.175 -2.137 1.00 0.00 N ATOM 924 CA GLU A 62 -10.329 4.218 -1.697 1.00 0.00 C ATOM 925 C GLU A 62 -9.164 4.165 -2.681 1.00 0.00 C ATOM 926 O GLU A 62 -9.318 4.484 -3.861 1.00 0.00 O ATOM 927 CB GLU A 62 -10.947 2.826 -1.546 1.00 0.00 C ATOM 928 CG GLU A 62 -11.678 2.346 -2.789 1.00 0.00 C ATOM 929 CD GLU A 62 -13.032 3.007 -2.961 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.906 2.804 -2.092 1.00 0.00 O ATOM 931 OE2 GLU A 62 -13.218 3.727 -3.964 1.00 0.00 O ATOM 0 HA GLU A 62 -9.950 4.547 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.160 2.113 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.643 2.836 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.065 2.548 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.810 1.265 -2.734 1.00 0.00 H new ATOM 938 N LEU A 63 -7.999 3.760 -2.188 1.00 0.00 N ATOM 939 CA LEU A 63 -6.806 3.665 -3.022 1.00 0.00 C ATOM 940 C LEU A 63 -6.505 2.213 -3.378 1.00 0.00 C ATOM 941 O LEU A 63 -6.838 1.297 -2.626 1.00 0.00 O ATOM 942 CB LEU A 63 -5.607 4.285 -2.303 1.00 0.00 C ATOM 943 CG LEU A 63 -4.464 4.767 -3.198 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.901 5.969 -4.021 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.239 5.107 -2.362 1.00 0.00 C ATOM 0 H LEU A 63 -7.855 3.492 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.993 4.215 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.960 5.130 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.209 3.551 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.199 3.961 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.075 6.298 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.748 5.692 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.193 6.780 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.436 5.448 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.490 5.896 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.912 4.221 -1.818 1.00 0.00 H new ATOM 957 N MET A 64 -5.872 2.010 -4.529 1.00 0.00 N ATOM 958 CA MET A 64 -5.523 0.669 -4.983 1.00 0.00 C ATOM 959 C MET A 64 -4.013 0.525 -5.143 1.00 0.00 C ATOM 960 O MET A 64 -3.394 1.225 -5.945 1.00 0.00 O ATOM 961 CB MET A 64 -6.220 0.359 -6.310 1.00 0.00 C ATOM 962 CG MET A 64 -6.265 -1.124 -6.641 1.00 0.00 C ATOM 963 SD MET A 64 -7.692 -1.568 -7.649 1.00 0.00 S ATOM 964 CE MET A 64 -8.851 -2.085 -6.385 1.00 0.00 C ATOM 0 H MET A 64 -5.590 2.757 -5.164 1.00 0.00 H new ATOM 0 HA MET A 64 -5.860 -0.042 -4.229 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.238 0.746 -6.275 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.706 0.887 -7.113 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.352 -1.402 -7.168 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.286 -1.698 -5.715 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.787 -2.391 -6.853 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.432 -2.924 -5.829 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.040 -1.256 -5.703 1.00 0.00 H new ATOM 974 N VAL A 65 -3.425 -0.387 -4.375 1.00 0.00 N ATOM 975 CA VAL A 65 -1.988 -0.623 -4.432 1.00 0.00 C ATOM 976 C VAL A 65 -1.671 -2.110 -4.329 1.00 0.00 C ATOM 977 O VAL A 65 -2.247 -2.839 -3.521 1.00 0.00 O ATOM 978 CB VAL A 65 -1.251 0.127 -3.307 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.156 0.502 -3.748 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.034 1.362 -2.889 1.00 0.00 C ATOM 0 H VAL A 65 -3.922 -0.975 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.644 -0.247 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.172 -0.534 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.662 1.031 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.713 -0.402 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.103 1.146 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.499 1.880 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.146 2.028 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.019 1.064 -2.530 1.00 0.00 H new ATOM 990 N PRO A 66 -0.731 -2.575 -5.166 1.00 0.00 N ATOM 991 CA PRO A 66 -0.314 -3.980 -5.187 1.00 0.00 C ATOM 992 C PRO A 66 0.466 -4.373 -3.937 1.00 0.00 C ATOM 993 O PRO A 66 1.127 -3.540 -3.319 1.00 0.00 O ATOM 994 CB PRO A 66 0.582 -4.065 -6.426 1.00 0.00 C ATOM 995 CG PRO A 66 1.096 -2.680 -6.617 1.00 0.00 C ATOM 996 CD PRO A 66 -0.002 -1.763 -6.155 1.00 0.00 C ATOM 0 HA PRO A 66 -1.167 -4.658 -5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.397 -4.773 -6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.021 -4.403 -7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.007 -2.519 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.344 -2.496 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.397 -0.851 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.647 -1.460 -6.980 1.00 0.00 H new ATOM 1004 N GLY A 67 0.384 -5.648 -3.570 1.00 0.00 N ATOM 1005 CA GLY A 67 1.087 -6.128 -2.395 1.00 0.00 C ATOM 1006 C GLY A 67 2.530 -5.665 -2.353 1.00 0.00 C ATOM 1007 O GLY A 67 3.038 -5.287 -1.297 1.00 0.00 O ATOM 0 H GLY A 67 -0.157 -6.357 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.571 -5.781 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.058 -7.217 -2.378 1.00 0.00 H new ATOM 1011 N THR A 68 3.193 -5.694 -3.505 1.00 0.00 N ATOM 1012 CA THR A 68 4.586 -5.276 -3.595 1.00 0.00 C ATOM 1013 C THR A 68 4.763 -3.842 -3.110 1.00 0.00 C ATOM 1014 O THR A 68 5.828 -3.469 -2.619 1.00 0.00 O ATOM 1015 CB THR A 68 5.113 -5.386 -5.039 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.525 -5.147 -5.064 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.409 -4.393 -5.950 1.00 0.00 C ATOM 0 H THR A 68 2.787 -6.003 -4.388 1.00 0.00 H new ATOM 0 HA THR A 68 5.159 -5.946 -2.954 1.00 0.00 H new ATOM 0 HB THR A 68 4.909 -6.394 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.853 -5.220 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.798 -4.490 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.338 -4.596 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.585 -3.380 -5.589 1.00 0.00 H new ATOM 1025 N ARG A 69 3.711 -3.041 -3.250 1.00 0.00 N ATOM 1026 CA ARG A 69 3.751 -1.647 -2.826 1.00 0.00 C ATOM 1027 C ARG A 69 2.871 -1.426 -1.599 1.00 0.00 C ATOM 1028 O ARG A 69 1.679 -1.733 -1.614 1.00 0.00 O ATOM 1029 CB ARG A 69 3.295 -0.732 -3.965 1.00 0.00 C ATOM 1030 CG ARG A 69 4.437 -0.215 -4.825 1.00 0.00 C ATOM 1031 CD ARG A 69 3.923 0.611 -5.994 1.00 0.00 C ATOM 1032 NE ARG A 69 5.012 1.211 -6.760 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.851 2.240 -7.584 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.651 2.781 -7.748 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.891 2.731 -8.246 1.00 0.00 N ATOM 0 H ARG A 69 2.821 -3.334 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 69 4.780 -1.403 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.592 -1.275 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.755 0.116 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.107 0.392 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.021 -1.055 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.324 -0.021 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.266 1.397 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 69 5.948 0.818 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.849 2.407 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.530 3.571 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.815 2.318 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.766 3.521 -8.879 1.00 0.00 H new ATOM 1049 N HIS A 70 3.468 -0.893 -0.538 1.00 0.00 N ATOM 1050 CA HIS A 70 2.739 -0.632 0.698 1.00 0.00 C ATOM 1051 C HIS A 70 2.725 0.860 1.016 1.00 0.00 C ATOM 1052 O HIS A 70 3.331 1.303 1.992 1.00 0.00 O ATOM 1053 CB HIS A 70 3.365 -1.406 1.858 1.00 0.00 C ATOM 1054 CG HIS A 70 3.729 -2.817 1.510 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.925 -3.160 0.914 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.048 -3.974 1.678 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.962 -4.468 0.730 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.835 -4.985 1.185 1.00 0.00 N ATOM 0 H HIS A 70 4.454 -0.633 -0.509 1.00 0.00 H new ATOM 0 HA HIS A 70 1.711 -0.966 0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.259 -0.881 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.668 -1.415 2.696 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.665 -2.507 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.068 -4.082 2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.776 -5.020 0.283 1.00 0.00 H new ATOM 1067 N SER A 71 2.031 1.631 0.184 1.00 0.00 N ATOM 1068 CA SER A 71 1.943 3.074 0.374 1.00 0.00 C ATOM 1069 C SER A 71 0.549 3.584 0.022 1.00 0.00 C ATOM 1070 O SER A 71 -0.151 2.993 -0.800 1.00 0.00 O ATOM 1071 CB SER A 71 2.991 3.788 -0.483 1.00 0.00 C ATOM 1072 OG SER A 71 2.798 3.510 -1.860 1.00 0.00 O ATOM 0 H SER A 71 1.522 1.280 -0.627 1.00 0.00 H new ATOM 0 HA SER A 71 2.136 3.289 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.933 4.863 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.989 3.472 -0.181 1.00 0.00 H new ATOM 0 HG SER A 71 3.479 3.979 -2.387 1.00 0.00 H new ATOM 1078 N ALA A 72 0.152 4.686 0.650 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.157 5.277 0.403 1.00 0.00 C ATOM 1080 C ALA A 72 -1.159 6.765 0.738 1.00 0.00 C ATOM 1081 O ALA A 72 -0.855 7.158 1.864 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.225 4.551 1.208 1.00 0.00 C ATOM 0 H ALA A 72 0.719 5.188 1.334 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.382 5.170 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.197 5.003 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.249 3.501 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.995 4.628 2.271 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.505 7.588 -0.247 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.547 9.033 -0.057 1.00 0.00 C ATOM 1090 C VAL A 73 -2.945 9.581 -0.319 1.00 0.00 C ATOM 1091 O VAL A 73 -3.445 9.525 -1.444 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.545 9.750 -0.980 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.756 11.255 -0.931 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.883 9.391 -0.598 1.00 0.00 C ATOM 0 H VAL A 73 -1.760 7.278 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.274 9.224 0.981 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.718 9.416 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.039 11.745 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.769 11.491 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.612 11.610 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.578 9.907 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.071 9.694 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.025 8.314 -0.691 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.572 10.111 0.725 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.914 10.671 0.608 1.00 0.00 C ATOM 1106 C LEU A 74 -4.857 12.172 0.343 1.00 0.00 C ATOM 1107 O LEU A 74 -3.884 12.838 0.697 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.715 10.397 1.882 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.070 8.934 2.151 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.245 8.178 0.842 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -5.001 8.275 3.010 1.00 0.00 C ATOM 0 H LEU A 74 -3.173 10.165 1.662 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.409 10.190 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.147 10.774 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.640 10.972 1.836 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.014 8.903 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.497 7.139 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.047 8.635 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.317 8.218 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.270 7.234 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.042 8.317 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.924 8.801 3.962 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.906 12.698 -0.280 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.976 14.120 -0.591 1.00 0.00 C ATOM 1125 C ARG A 75 -7.374 14.668 -0.322 1.00 0.00 C ATOM 1126 O ARG A 75 -8.297 13.915 -0.011 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.594 14.363 -2.053 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.093 14.377 -2.296 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.766 14.742 -3.735 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.469 15.405 -3.851 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.078 16.071 -4.931 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.879 16.163 -5.984 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -0.883 16.647 -4.960 1.00 0.00 N ATOM 0 H ARG A 75 -6.719 12.160 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.270 14.642 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.047 13.588 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.015 15.315 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.621 15.091 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.676 13.397 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.768 13.840 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.544 15.396 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.829 15.353 -3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.798 15.721 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.576 16.675 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.264 16.578 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.583 17.158 -5.790 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.522 15.983 -0.443 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.807 16.632 -0.213 1.00 0.00 C ATOM 1149 C ASP A 76 -9.290 16.392 1.214 1.00 0.00 C ATOM 1150 O ASP A 76 -10.492 16.298 1.467 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.848 16.118 -1.210 1.00 0.00 C ATOM 1152 CG ASP A 76 -11.058 17.026 -1.303 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -11.967 16.891 -0.458 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.097 17.872 -2.221 1.00 0.00 O ATOM 0 H ASP A 76 -6.768 16.620 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.675 17.704 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.390 16.026 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.169 15.119 -0.914 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.346 16.292 2.143 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.674 16.062 3.546 1.00 0.00 C ATOM 1161 C LEU A 77 -8.865 17.383 4.285 1.00 0.00 C ATOM 1162 O LEU A 77 -8.262 18.396 3.931 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.573 15.242 4.220 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.170 13.949 3.510 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.294 13.095 4.414 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.404 13.173 3.073 1.00 0.00 C ATOM 0 H LEU A 77 -7.347 16.367 1.950 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.610 15.505 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.688 15.870 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.900 14.992 5.229 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.595 14.209 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.017 12.179 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.393 13.649 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.843 12.844 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.098 12.256 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.005 12.924 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.994 13.783 2.389 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.706 17.364 5.314 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.975 18.559 6.103 1.00 0.00 C ATOM 1180 C ARG A 78 -8.735 18.985 6.885 1.00 0.00 C ATOM 1181 O ARG A 78 -7.920 18.151 7.277 1.00 0.00 O ATOM 1182 CB ARG A 78 -11.137 18.310 7.066 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.744 19.584 7.631 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.272 20.487 6.527 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.127 21.549 7.051 1.00 0.00 N ATOM 1186 CZ ARG A 78 -13.820 22.381 6.282 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -13.759 22.275 4.961 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -14.575 23.322 6.833 1.00 0.00 N ATOM 0 H ARG A 78 -10.213 16.534 5.620 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.246 19.362 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.913 17.747 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.788 17.688 7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.555 19.330 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.993 20.119 8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.434 20.929 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.834 19.890 5.808 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.196 21.658 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.179 21.553 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.292 22.915 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.624 23.407 7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.107 23.960 6.241 1.00 0.00 H new ATOM 1202 N SER A 79 -8.601 20.288 7.107 1.00 0.00 N ATOM 1203 CA SER A 79 -7.459 20.825 7.838 1.00 0.00 C ATOM 1204 C SER A 79 -7.570 20.510 9.327 1.00 0.00 C ATOM 1205 O SER A 79 -8.647 20.604 9.914 1.00 0.00 O ATOM 1206 CB SER A 79 -7.360 22.338 7.632 1.00 0.00 C ATOM 1207 OG SER A 79 -7.261 22.660 6.255 1.00 0.00 O ATOM 0 H SER A 79 -9.269 20.992 6.791 1.00 0.00 H new ATOM 0 HA SER A 79 -6.556 20.353 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.236 22.825 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.490 22.724 8.163 1.00 0.00 H new ATOM 0 HG SER A 79 -7.201 23.632 6.150 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.447 20.135 9.931 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.438 19.810 11.346 1.00 0.00 C ATOM 1215 C GLY A 80 -7.618 18.950 11.750 1.00 0.00 C ATOM 1216 O GLY A 80 -8.324 19.262 12.710 1.00 0.00 O ATOM 0 H GLY A 80 -5.543 20.050 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.512 19.289 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.448 20.732 11.928 1.00 0.00 H new ATOM 1220 N THR A 81 -7.836 17.863 11.016 1.00 0.00 N ATOM 1221 CA THR A 81 -8.940 16.956 11.302 1.00 0.00 C ATOM 1222 C THR A 81 -8.453 15.516 11.418 1.00 0.00 C ATOM 1223 O THR A 81 -7.518 15.109 10.728 1.00 0.00 O ATOM 1224 CB THR A 81 -10.026 17.032 10.212 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.427 18.393 10.015 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.235 16.192 10.594 1.00 0.00 C ATOM 0 H THR A 81 -7.262 17.590 10.219 1.00 0.00 H new ATOM 0 HA THR A 81 -9.368 17.270 12.254 1.00 0.00 H new ATOM 0 HB THR A 81 -9.608 16.639 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.635 18.948 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.989 16.261 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.932 15.152 10.715 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.652 16.560 11.531 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.093 14.749 12.294 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.726 13.352 12.500 1.00 0.00 C ATOM 1236 C LEU A 82 -9.493 12.441 11.548 1.00 0.00 C ATOM 1237 O LEU A 82 -10.722 12.384 11.583 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.998 12.941 13.948 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.380 11.617 14.397 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.774 10.495 13.450 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.865 11.737 14.483 1.00 0.00 C ATOM 0 H LEU A 82 -9.869 15.071 12.873 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.661 13.248 12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.632 13.731 14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.077 12.883 14.091 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.763 11.378 15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.325 9.561 13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.859 10.392 13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.421 10.726 12.445 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.442 10.785 14.804 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.465 12.000 13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.602 12.512 15.203 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.760 11.729 10.699 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.371 10.820 9.737 1.00 0.00 C ATOM 1255 C TYR A 83 -9.151 9.367 10.145 1.00 0.00 C ATOM 1256 O TYR A 83 -8.156 9.034 10.789 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.797 11.062 8.340 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.496 12.166 7.581 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.269 13.501 7.891 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.383 11.875 6.552 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.906 14.514 7.200 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.024 12.881 5.855 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.782 14.199 6.183 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.418 15.204 5.492 1.00 0.00 O ATOM 0 H TYR A 83 -7.741 11.764 10.658 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.443 11.015 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.739 11.307 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.863 10.139 7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.582 13.752 8.686 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.575 10.844 6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.719 15.547 7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.711 12.637 5.058 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.000 14.813 4.808 1.00 0.00 H new ATOM 1274 N SER A 84 -10.089 8.504 9.765 1.00 0.00 N ATOM 1275 CA SER A 84 -10.001 7.086 10.093 1.00 0.00 C ATOM 1276 C SER A 84 -9.635 6.265 8.860 1.00 0.00 C ATOM 1277 O SER A 84 -10.438 6.117 7.938 1.00 0.00 O ATOM 1278 CB SER A 84 -11.328 6.592 10.674 1.00 0.00 C ATOM 1279 OG SER A 84 -11.280 5.202 10.944 1.00 0.00 O ATOM 0 H SER A 84 -10.918 8.762 9.230 1.00 0.00 H new ATOM 0 HA SER A 84 -9.216 6.959 10.839 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.552 7.136 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.136 6.802 9.973 1.00 0.00 H new ATOM 0 HG SER A 84 -12.139 4.911 11.316 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.418 5.732 8.852 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.944 4.925 7.733 1.00 0.00 C ATOM 1287 C LEU A 85 -8.086 3.437 8.037 1.00 0.00 C ATOM 1288 O LEU A 85 -7.882 3.001 9.170 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.483 5.257 7.423 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.045 6.693 7.711 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.554 6.747 8.006 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.393 7.602 6.542 1.00 0.00 C ATOM 0 H LEU A 85 -7.742 5.844 9.607 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.556 5.159 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.848 4.583 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.299 5.047 6.369 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.582 7.046 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.260 7.777 8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.333 6.129 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.999 6.374 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.074 8.620 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.885 7.251 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.470 7.587 6.378 1.00 0.00 H new ATOM 1304 N THR A 86 -8.435 2.661 7.016 1.00 0.00 N ATOM 1305 CA THR A 86 -8.603 1.222 7.172 1.00 0.00 C ATOM 1306 C THR A 86 -8.152 0.476 5.921 1.00 0.00 C ATOM 1307 O THR A 86 -8.810 0.531 4.882 1.00 0.00 O ATOM 1308 CB THR A 86 -10.069 0.857 7.473 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.552 1.634 8.574 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.203 -0.624 7.794 1.00 0.00 C ATOM 0 H THR A 86 -8.607 3.006 6.071 1.00 0.00 H new ATOM 0 HA THR A 86 -7.981 0.921 8.015 1.00 0.00 H new ATOM 0 HB THR A 86 -10.664 1.076 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.485 1.397 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.247 -0.858 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.863 -1.213 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.596 -0.864 8.667 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.026 -0.221 6.028 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.487 -0.980 4.905 1.00 0.00 C ATOM 1320 C LEU A 87 -7.060 -2.392 4.876 1.00 0.00 C ATOM 1321 O LEU A 87 -7.388 -2.962 5.917 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.960 -1.038 4.990 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.223 -1.268 3.670 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.282 -0.022 2.801 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.779 -1.672 3.929 1.00 0.00 C ATOM 0 H LEU A 87 -6.469 -0.276 6.881 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.775 -0.473 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.604 -0.103 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.684 -1.835 5.681 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.717 -2.081 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.752 -0.205 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.322 0.223 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.814 0.810 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.270 -1.832 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.274 -0.881 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.758 -2.593 4.511 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.177 -2.953 3.677 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.712 -4.300 3.513 1.00 0.00 C ATOM 1339 C TYR A 88 -6.786 -5.152 2.649 1.00 0.00 C ATOM 1340 O TYR A 88 -6.567 -4.856 1.475 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.106 -4.245 2.885 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.160 -3.665 3.800 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.617 -4.374 4.904 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.698 -2.406 3.562 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.580 -3.848 5.742 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.660 -1.871 4.397 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.099 -2.596 5.485 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.058 -2.068 6.319 1.00 0.00 O ATOM 0 H TYR A 88 -6.909 -2.496 2.805 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.783 -4.758 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.061 -3.650 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.404 -5.252 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.212 -5.354 5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.358 -1.836 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.925 -4.414 6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.066 -0.890 4.199 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.317 -1.179 5.998 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.245 -6.212 3.241 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.349 -7.092 2.513 1.00 0.00 C ATOM 1360 C GLY A 89 -6.089 -8.028 1.579 1.00 0.00 C ATOM 1361 O GLY A 89 -6.405 -9.161 1.944 1.00 0.00 O ATOM 0 H GLY A 89 -6.411 -6.477 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.644 -6.492 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.765 -7.678 3.222 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.369 -7.555 0.369 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.079 -8.357 -0.621 1.00 0.00 C ATOM 1367 C LEU A 90 -6.241 -9.556 -1.052 1.00 0.00 C ATOM 1368 O LEU A 90 -5.254 -9.409 -1.773 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.434 -7.503 -1.839 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.722 -6.687 -1.735 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.919 -7.602 -1.529 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.622 -5.674 -0.604 1.00 0.00 C ATOM 0 H LEU A 90 -6.115 -6.620 0.050 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.998 -8.725 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.608 -6.818 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.512 -8.158 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.862 -6.145 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.827 -7.003 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.002 -8.288 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.787 -8.172 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.548 -5.102 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.457 -6.196 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.789 -4.997 -0.794 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.642 -10.743 -0.608 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.929 -11.968 -0.950 1.00 0.00 C ATOM 1386 C ARG A 91 -6.478 -12.577 -2.236 1.00 0.00 C ATOM 1387 O ARG A 91 -6.327 -13.772 -2.483 1.00 0.00 O ATOM 1388 CB ARG A 91 -6.034 -12.980 0.193 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.798 -13.849 0.353 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.894 -15.114 -0.484 1.00 0.00 C ATOM 1391 NE ARG A 91 -4.301 -14.941 -1.808 1.00 0.00 N ATOM 1392 CZ ARG A 91 -3.927 -15.953 -2.584 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.084 -17.203 -2.171 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -3.396 -15.714 -3.776 1.00 0.00 N ATOM 0 H ARG A 91 -7.457 -10.882 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.880 -11.716 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.214 -12.445 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.899 -13.621 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.914 -13.283 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.672 -14.115 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.391 -15.931 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.940 -15.400 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.167 -13.992 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.493 -17.390 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.796 -17.978 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.275 -14.753 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.109 -16.491 -4.371 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.119 -11.745 -3.052 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.682 -12.220 -4.303 1.00 0.00 C ATOM 1410 C GLY A 92 -9.156 -11.891 -4.437 1.00 0.00 C ATOM 1411 O GLY A 92 -9.536 -10.757 -4.729 1.00 0.00 O ATOM 0 H GLY A 92 -7.258 -10.751 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.136 -11.776 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.546 -13.299 -4.373 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.013 -12.900 -4.222 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.467 -12.737 -4.316 1.00 0.00 C ATOM 1417 C PRO A 93 -12.030 -11.887 -3.182 1.00 0.00 C ATOM 1418 O PRO A 93 -12.765 -10.928 -3.417 1.00 0.00 O ATOM 1419 CB PRO A 93 -11.992 -14.171 -4.221 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.935 -14.913 -3.478 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.630 -14.277 -3.870 1.00 0.00 C ATOM 0 HA PRO A 93 -11.761 -12.221 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.946 -14.209 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.155 -14.599 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.094 -14.846 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.946 -15.972 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.911 -14.297 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.168 -14.793 -4.712 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.679 -12.245 -1.950 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.149 -11.514 -0.779 1.00 0.00 C ATOM 1431 C HIS A 94 -10.977 -11.073 0.093 1.00 0.00 C ATOM 1432 O HIS A 94 -9.887 -11.641 0.019 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.109 -12.380 0.037 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.421 -13.264 1.031 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.962 -13.579 2.260 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.229 -13.903 0.972 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.132 -14.371 2.914 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.073 -14.584 2.154 1.00 0.00 N ATOM 0 H HIS A 94 -11.071 -13.036 -1.738 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.677 -10.625 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.811 -11.733 0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.694 -12.999 -0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.531 -13.881 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.292 -14.776 3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.270 -15.161 2.404 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.208 -10.058 0.917 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.172 -9.540 1.803 1.00 0.00 C ATOM 1449 C LYS A 95 -9.706 -10.614 2.781 1.00 0.00 C ATOM 1450 O LYS A 95 -10.481 -11.485 3.176 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.693 -8.325 2.574 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.331 -7.270 1.687 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.341 -6.433 2.455 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.620 -5.113 1.752 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.546 -4.252 2.538 1.00 0.00 N ATOM 0 H LYS A 95 -12.104 -9.577 0.990 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.323 -9.238 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.424 -8.659 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.868 -7.874 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.557 -6.622 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.824 -7.752 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.270 -6.992 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.966 -6.239 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.682 -4.583 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.051 -5.308 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.205 -3.771 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.084 -4.840 3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.997 -3.543 3.065 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.437 -10.545 3.168 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.870 -11.509 4.102 1.00 0.00 C ATOM 1471 C ALA A 96 -7.577 -10.860 5.451 1.00 0.00 C ATOM 1472 O ALA A 96 -7.886 -11.423 6.501 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.603 -12.122 3.524 1.00 0.00 C ATOM 0 H ALA A 96 -7.782 -9.831 2.849 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.604 -12.299 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.190 -12.840 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.838 -12.629 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.871 -11.336 3.336 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.980 -9.675 5.415 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.646 -8.949 6.635 1.00 0.00 C ATOM 1481 C ASP A 97 -7.158 -7.513 6.571 1.00 0.00 C ATOM 1482 O ASP A 97 -7.518 -7.019 5.502 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.133 -8.954 6.859 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.765 -8.892 8.328 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.434 -9.569 9.137 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.807 -8.167 8.669 1.00 0.00 O ATOM 0 H ASP A 97 -6.717 -9.196 4.554 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.131 -9.452 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.706 -9.855 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.689 -8.104 6.340 1.00 0.00 H new ATOM 1491 N SER A 98 -7.190 -6.850 7.722 1.00 0.00 N ATOM 1492 CA SER A 98 -7.663 -5.473 7.798 1.00 0.00 C ATOM 1493 C SER A 98 -7.063 -4.757 9.004 1.00 0.00 C ATOM 1494 O SER A 98 -7.191 -5.217 10.139 1.00 0.00 O ATOM 1495 CB SER A 98 -9.190 -5.440 7.879 1.00 0.00 C ATOM 1496 OG SER A 98 -9.661 -6.229 8.958 1.00 0.00 O ATOM 0 H SER A 98 -6.894 -7.244 8.615 1.00 0.00 H new ATOM 0 HA SER A 98 -7.342 -4.955 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.529 -4.411 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.615 -5.806 6.944 1.00 0.00 H new ATOM 0 HG SER A 98 -8.966 -6.291 9.646 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.407 -3.630 8.750 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.787 -2.850 9.814 1.00 0.00 C ATOM 1504 C ILE A 99 -6.396 -1.455 9.899 1.00 0.00 C ATOM 1505 O ILE A 99 -6.977 -0.962 8.932 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.267 -2.723 9.607 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.574 -2.403 10.933 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.961 -1.652 8.571 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.144 -2.890 11.001 1.00 0.00 C ATOM 0 H ILE A 99 -6.291 -3.236 7.816 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.975 -3.383 10.746 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.885 -3.676 9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.590 -1.325 11.091 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.141 -2.853 11.748 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.882 -1.574 8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.427 -1.919 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.354 -0.694 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.716 -2.628 11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.122 -3.972 10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.562 -2.421 10.208 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.256 -0.824 11.060 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.792 0.516 11.270 1.00 0.00 C ATOM 1523 C GLN A 100 -5.674 1.507 11.580 1.00 0.00 C ATOM 1524 O GLN A 100 -4.881 1.296 12.497 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.812 0.508 12.409 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.143 -0.121 12.029 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.182 -1.612 12.298 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.269 -2.045 13.448 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -9.119 -2.408 11.237 1.00 0.00 N ATOM 0 H GLN A 100 -5.776 -1.218 11.869 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.287 0.830 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.393 -0.033 13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.985 1.533 12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.943 0.366 12.587 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.337 0.059 10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.048 -2.007 10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.142 -3.421 11.357 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.617 2.588 10.808 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.593 3.594 11.016 1.00 0.00 C ATOM 1540 C GLY A 101 -5.161 4.999 11.068 1.00 0.00 C ATOM 1541 O GLY A 101 -5.744 5.478 10.095 1.00 0.00 O ATOM 0 H GLY A 101 -6.262 2.785 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.066 3.384 11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.859 3.532 10.213 1.00 0.00 H new ATOM 1545 N THR A 102 -4.994 5.661 12.208 1.00 0.00 N ATOM 1546 CA THR A 102 -5.498 7.018 12.385 1.00 0.00 C ATOM 1547 C THR A 102 -4.409 8.049 12.109 1.00 0.00 C ATOM 1548 O THR A 102 -3.219 7.747 12.196 1.00 0.00 O ATOM 1549 CB THR A 102 -6.045 7.233 13.808 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.144 6.671 14.769 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.419 6.599 13.962 1.00 0.00 C ATOM 0 H THR A 102 -4.514 5.280 13.023 1.00 0.00 H new ATOM 0 HA THR A 102 -6.309 7.150 11.669 1.00 0.00 H new ATOM 0 HB THR A 102 -6.137 8.305 13.980 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.498 6.813 15.672 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.784 6.764 14.976 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.110 7.050 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.349 5.528 13.772 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.824 9.267 11.778 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.883 10.343 11.493 1.00 0.00 C ATOM 1561 C ALA A 103 -4.585 11.697 11.481 1.00 0.00 C ATOM 1562 O ALA A 103 -5.671 11.839 10.918 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.186 10.096 10.163 1.00 0.00 C ATOM 0 H ALA A 103 -5.806 9.533 11.701 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.135 10.358 12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.486 10.907 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.644 9.151 10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.928 10.052 9.366 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.959 12.688 12.105 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.525 14.030 12.168 1.00 0.00 C ATOM 1571 C ARG A 104 -3.742 14.993 11.280 1.00 0.00 C ATOM 1572 O ARG A 104 -2.564 15.259 11.521 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.528 14.539 13.611 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.564 15.619 13.874 1.00 0.00 C ATOM 1575 CD ARG A 104 -6.013 15.619 15.327 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.560 16.912 15.731 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.864 17.221 16.986 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.676 16.335 17.955 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.358 18.418 17.275 1.00 0.00 N ATOM 0 H ARG A 104 -3.059 12.587 12.575 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.552 13.981 11.805 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.711 13.700 14.283 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.539 14.930 13.851 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.147 16.594 13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.426 15.463 13.226 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.766 14.845 15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.168 15.367 15.968 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.717 17.616 15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.297 15.413 17.737 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.910 16.575 18.918 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.505 19.102 16.533 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.591 18.654 18.239 1.00 0.00 H new ATOM 1593 N THR A 105 -4.404 15.512 10.250 1.00 0.00 N ATOM 1594 CA THR A 105 -3.770 16.443 9.325 1.00 0.00 C ATOM 1595 C THR A 105 -3.390 17.741 10.026 1.00 0.00 C ATOM 1596 O THR A 105 -3.715 17.946 11.197 1.00 0.00 O ATOM 1597 CB THR A 105 -4.692 16.767 8.135 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.950 17.261 8.609 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.919 15.533 7.274 1.00 0.00 C ATOM 0 H THR A 105 -5.379 15.303 10.036 1.00 0.00 H new ATOM 0 HA THR A 105 -2.868 15.956 8.955 1.00 0.00 H new ATOM 0 HB THR A 105 -4.208 17.531 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.496 17.549 7.848 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.573 15.787 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.963 15.176 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.383 14.751 7.874 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.699 18.617 9.305 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.274 19.899 9.859 1.00 0.00 C ATOM 1609 C LEU A 106 -3.212 21.019 9.420 1.00 0.00 C ATOM 1610 O LEU A 106 -3.871 20.921 8.385 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.843 20.216 9.422 1.00 0.00 C ATOM 1612 CG LEU A 106 0.228 19.212 9.850 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.560 19.540 9.194 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.367 19.194 11.365 1.00 0.00 C ATOM 0 H LEU A 106 -2.421 18.464 8.336 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.308 19.827 10.946 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.825 20.294 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.573 21.195 9.816 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.080 18.219 9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.310 18.815 9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.451 19.500 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.875 20.540 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.133 18.474 11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.652 20.186 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.584 18.909 11.814 1.00 0.00 H new ATOM 1626 N SER A 107 -3.265 22.084 10.214 1.00 0.00 N ATOM 1627 CA SER A 107 -4.123 23.223 9.908 1.00 0.00 C ATOM 1628 C SER A 107 -3.534 24.058 8.775 1.00 0.00 C ATOM 1629 O SER A 107 -4.264 24.662 7.991 1.00 0.00 O ATOM 1630 CB SER A 107 -4.313 24.092 11.153 1.00 0.00 C ATOM 1631 OG SER A 107 -5.263 25.118 10.917 1.00 0.00 O ATOM 0 H SER A 107 -2.724 22.182 11.073 1.00 0.00 H new ATOM 0 HA SER A 107 -5.093 22.842 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.642 23.472 11.987 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.359 24.534 11.441 1.00 0.00 H new ATOM 0 HG SER A 107 -5.368 25.659 11.727 1.00 0.00 H new