USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 124 GLN : amide:sc= 0.625 K(o=1.4,f=-3.2!) USER MOD Set 1.2: A 128 LYS NZ :NH3+ -163:sc= 0.815 (180deg=0) USER MOD Set 2.1: A 97 GLN : amide:sc= -6.43! C(o=-6.4!,f=-9!) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot -27:sc= -1.04! USER MOD Set 3.2: A 89 SER OG : rot 180:sc= 0.661 USER MOD Set 4.1: A 12 CYS SG : rot -59:sc= -4.09! USER MOD Set 4.2: A 126 HIS : no HD1:sc= -0.736 K(o=-4.8,f=-12!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 72:sc= 1.02 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.16) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 19:sc= -1.97! USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.208) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.286) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.575 K(o=-0.57,f=-3.5!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.374 F(o=-1.4,f=-0.37) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0865 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -67:sc= 1.38 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 111 THR OG1 : rot 0:sc= 0.535! USER MOD Single : A 120 ASN : amide:sc= 0.751 K(o=0.75,f=-2.3!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 3.629 15.173 4.999 1.00 0.00 N ATOM 126 CA SER A 9 2.543 14.220 4.828 1.00 0.00 C ATOM 127 C SER A 9 2.393 13.825 3.369 1.00 0.00 C ATOM 128 O SER A 9 2.174 14.669 2.498 1.00 0.00 O ATOM 129 CB SER A 9 1.229 14.787 5.359 1.00 0.00 C ATOM 130 OG SER A 9 0.148 13.914 5.076 1.00 0.00 O ATOM 0 HA SER A 9 2.791 13.328 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.304 14.942 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.041 15.762 4.909 1.00 0.00 H new ATOM 0 HG SER A 9 -0.683 14.298 5.427 1.00 0.00 H new ATOM 136 N VAL A 10 2.526 12.532 3.116 1.00 0.00 N ATOM 137 CA VAL A 10 2.423 11.993 1.767 1.00 0.00 C ATOM 138 C VAL A 10 1.072 12.314 1.113 1.00 0.00 C ATOM 139 O VAL A 10 1.032 12.725 -0.041 1.00 0.00 O ATOM 140 CB VAL A 10 2.631 10.469 1.776 1.00 0.00 C ATOM 141 CG1 VAL A 10 4.023 10.120 2.276 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.576 9.786 2.629 1.00 0.00 C ATOM 0 H VAL A 10 2.707 11.830 3.834 1.00 0.00 H new ATOM 0 HA VAL A 10 3.206 12.471 1.179 1.00 0.00 H new ATOM 0 HB VAL A 10 2.531 10.109 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.149 9.037 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.769 10.573 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.151 10.499 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.743 8.709 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.641 10.155 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.586 10.003 2.227 1.00 0.00 H new ATOM 152 N LEU A 11 -0.025 12.133 1.851 1.00 0.00 N ATOM 153 CA LEU A 11 -1.366 12.413 1.341 1.00 0.00 C ATOM 154 C LEU A 11 -1.764 11.463 0.211 1.00 0.00 C ATOM 155 O LEU A 11 -2.425 11.864 -0.746 1.00 0.00 O ATOM 156 CB LEU A 11 -1.481 13.876 0.892 1.00 0.00 C ATOM 157 CG LEU A 11 -1.110 14.177 -0.569 1.00 0.00 C ATOM 158 CD1 LEU A 11 -2.343 14.588 -1.360 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.042 15.260 -0.638 1.00 0.00 C ATOM 0 H LEU A 11 -0.008 11.791 2.812 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.065 12.244 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.507 14.204 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.845 14.482 1.537 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.705 13.268 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.060 14.797 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.074 13.780 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.779 15.482 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.207 15.459 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.418 16.172 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.850 14.925 -0.109 1.00 0.00 H new ATOM 171 N CYS A 12 -1.378 10.200 0.335 1.00 0.00 N ATOM 172 CA CYS A 12 -1.717 9.198 -0.674 1.00 0.00 C ATOM 173 C CYS A 12 -3.124 8.660 -0.443 1.00 0.00 C ATOM 174 O CYS A 12 -3.511 8.390 0.692 1.00 0.00 O ATOM 175 CB CYS A 12 -0.724 8.032 -0.657 1.00 0.00 C ATOM 176 SG CYS A 12 0.985 8.498 -0.300 1.00 0.00 S ATOM 0 H CYS A 12 -0.832 9.843 1.120 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.668 9.687 -1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.051 7.306 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.755 7.532 -1.625 1.00 0.00 H new ATOM 0 HG CYS A 12 1.399 9.346 -1.194 1.00 0.00 H new ATOM 182 N VAL A 13 -3.877 8.492 -1.529 1.00 0.00 N ATOM 183 CA VAL A 13 -5.241 7.969 -1.450 1.00 0.00 C ATOM 184 C VAL A 13 -5.620 7.223 -2.729 1.00 0.00 C ATOM 185 O VAL A 13 -4.901 7.279 -3.726 1.00 0.00 O ATOM 186 CB VAL A 13 -6.290 9.080 -1.195 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.991 9.857 0.078 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.385 10.025 -2.384 1.00 0.00 C ATOM 0 H VAL A 13 -3.565 8.711 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.249 7.284 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.254 8.587 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.749 10.627 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.999 9.177 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.010 10.325 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.129 10.795 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.416 10.493 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.679 9.465 -3.272 1.00 0.00 H new ATOM 198 N LYS A 14 -6.760 6.529 -2.694 1.00 0.00 N ATOM 199 CA LYS A 14 -7.231 5.776 -3.855 1.00 0.00 C ATOM 200 C LYS A 14 -8.641 5.219 -3.632 1.00 0.00 C ATOM 201 O LYS A 14 -8.829 4.244 -2.905 1.00 0.00 O ATOM 202 CB LYS A 14 -6.277 4.628 -4.172 1.00 0.00 C ATOM 203 CG LYS A 14 -6.611 3.914 -5.471 1.00 0.00 C ATOM 204 CD LYS A 14 -6.422 4.827 -6.676 1.00 0.00 C ATOM 205 CE LYS A 14 -7.733 5.080 -7.410 1.00 0.00 C ATOM 206 NZ LYS A 14 -7.641 4.744 -8.855 1.00 0.00 N ATOM 0 H LYS A 14 -7.370 6.474 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.262 6.467 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.259 5.015 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.299 3.909 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.976 3.034 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.642 3.561 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.000 5.777 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.703 4.379 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.525 4.488 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.013 6.128 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.555 4.932 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.904 5.327 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.400 3.738 -8.963 1.00 0.00 H new ATOM 220 N PRO A 15 -9.654 5.838 -4.264 1.00 0.00 N ATOM 221 CA PRO A 15 -11.060 5.414 -4.142 1.00 0.00 C ATOM 222 C PRO A 15 -11.327 4.028 -4.718 1.00 0.00 C ATOM 223 O PRO A 15 -12.276 3.354 -4.319 1.00 0.00 O ATOM 224 CB PRO A 15 -11.812 6.470 -4.955 1.00 0.00 C ATOM 225 CG PRO A 15 -10.803 6.967 -5.923 1.00 0.00 C ATOM 226 CD PRO A 15 -9.523 7.009 -5.149 1.00 0.00 C ATOM 0 HA PRO A 15 -11.363 5.342 -3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.675 6.041 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.184 7.273 -4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.723 6.306 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.070 7.954 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.652 6.932 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.419 7.936 -4.585 1.00 0.00 H new ATOM 234 N ASP A 16 -10.498 3.609 -5.663 1.00 0.00 N ATOM 235 CA ASP A 16 -10.661 2.306 -6.293 1.00 0.00 C ATOM 236 C ASP A 16 -9.378 1.491 -6.203 1.00 0.00 C ATOM 237 O ASP A 16 -8.438 1.709 -6.967 1.00 0.00 O ATOM 238 CB ASP A 16 -11.069 2.471 -7.756 1.00 0.00 C ATOM 239 CG ASP A 16 -12.573 2.508 -7.935 1.00 0.00 C ATOM 240 OD1 ASP A 16 -13.175 3.574 -7.688 1.00 0.00 O ATOM 241 OD2 ASP A 16 -13.150 1.470 -8.322 1.00 0.00 O ATOM 0 H ASP A 16 -9.707 4.151 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.447 1.771 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.636 3.391 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.656 1.649 -8.341 1.00 0.00 H new ATOM 246 N VAL A 17 -9.348 0.552 -5.266 1.00 0.00 N ATOM 247 CA VAL A 17 -8.182 -0.295 -5.077 1.00 0.00 C ATOM 248 C VAL A 17 -8.581 -1.650 -4.499 1.00 0.00 C ATOM 249 O VAL A 17 -9.607 -1.772 -3.830 1.00 0.00 O ATOM 250 CB VAL A 17 -7.146 0.383 -4.155 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.640 0.432 -2.716 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.803 -0.326 -4.243 1.00 0.00 C ATOM 0 H VAL A 17 -10.119 0.359 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.728 -0.450 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.013 1.410 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.890 0.915 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.570 0.998 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.814 -0.582 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.087 0.168 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.920 -1.366 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.438 -0.289 -5.270 1.00 0.00 H new ATOM 262 N SER A 18 -7.757 -2.659 -4.746 1.00 0.00 N ATOM 263 CA SER A 18 -8.018 -3.999 -4.237 1.00 0.00 C ATOM 264 C SER A 18 -6.831 -4.486 -3.423 1.00 0.00 C ATOM 265 O SER A 18 -5.680 -4.201 -3.756 1.00 0.00 O ATOM 266 CB SER A 18 -8.304 -4.972 -5.384 1.00 0.00 C ATOM 267 OG SER A 18 -9.168 -4.390 -6.345 1.00 0.00 O ATOM 0 H SER A 18 -6.902 -2.575 -5.296 1.00 0.00 H new ATOM 0 HA SER A 18 -8.899 -3.958 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.368 -5.262 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.755 -5.882 -4.989 1.00 0.00 H new ATOM 0 HG SER A 18 -8.683 -3.703 -6.848 1.00 0.00 H new ATOM 273 N VAL A 19 -7.111 -5.210 -2.349 1.00 0.00 N ATOM 274 CA VAL A 19 -6.058 -5.717 -1.491 1.00 0.00 C ATOM 275 C VAL A 19 -6.388 -7.111 -0.981 1.00 0.00 C ATOM 276 O VAL A 19 -7.554 -7.456 -0.801 1.00 0.00 O ATOM 277 CB VAL A 19 -5.827 -4.779 -0.294 1.00 0.00 C ATOM 278 CG1 VAL A 19 -7.136 -4.501 0.413 1.00 0.00 C ATOM 279 CG2 VAL A 19 -4.805 -5.364 0.672 1.00 0.00 C ATOM 0 H VAL A 19 -8.056 -5.457 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.148 -5.766 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.427 -3.837 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.959 -3.836 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.831 -4.029 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.562 -5.438 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.662 -4.680 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.164 -6.323 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.857 -5.509 0.155 1.00 0.00 H new ATOM 289 N TYR A 20 -5.350 -7.906 -0.751 1.00 0.00 N ATOM 290 CA TYR A 20 -5.522 -9.265 -0.264 1.00 0.00 C ATOM 291 C TYR A 20 -5.150 -9.380 1.216 1.00 0.00 C ATOM 292 O TYR A 20 -4.416 -8.551 1.751 1.00 0.00 O ATOM 293 CB TYR A 20 -4.668 -10.232 -1.086 1.00 0.00 C ATOM 294 CG TYR A 20 -4.836 -10.096 -2.587 1.00 0.00 C ATOM 295 CD1 TYR A 20 -4.283 -9.026 -3.275 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.546 -11.041 -3.315 1.00 0.00 C ATOM 297 CE1 TYR A 20 -4.432 -8.899 -4.644 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.700 -10.922 -4.685 1.00 0.00 C ATOM 299 CZ TYR A 20 -5.142 -9.849 -5.344 1.00 0.00 C ATOM 300 OH TYR A 20 -5.292 -9.722 -6.708 1.00 0.00 O ATOM 0 H TYR A 20 -4.379 -7.630 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.575 -9.525 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.619 -10.075 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.916 -11.253 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.725 -8.278 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.986 -11.884 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.994 -8.059 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.255 -11.667 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.818 -10.475 -7.051 1.00 0.00 H new ATOM 310 N ARG A 21 -5.663 -10.423 1.863 1.00 0.00 N ATOM 311 CA ARG A 21 -5.392 -10.674 3.280 1.00 0.00 C ATOM 312 C ARG A 21 -4.758 -12.049 3.470 1.00 0.00 C ATOM 313 O ARG A 21 -5.361 -13.071 3.143 1.00 0.00 O ATOM 314 CB ARG A 21 -6.686 -10.586 4.097 1.00 0.00 C ATOM 315 CG ARG A 21 -6.485 -10.088 5.523 1.00 0.00 C ATOM 316 CD ARG A 21 -5.475 -10.934 6.285 1.00 0.00 C ATOM 317 NE ARG A 21 -5.840 -12.351 6.304 1.00 0.00 N ATOM 318 CZ ARG A 21 -6.430 -12.960 7.332 1.00 0.00 C ATOM 319 NH1 ARG A 21 -6.752 -12.282 8.427 1.00 0.00 N ATOM 320 NH2 ARG A 21 -6.704 -14.255 7.260 1.00 0.00 N ATOM 0 H ARG A 21 -6.273 -11.114 1.427 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.696 -9.912 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.382 -9.921 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.151 -11.571 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.147 -9.052 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.439 -10.101 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.492 -10.820 5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.396 -10.568 7.309 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.629 -12.909 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.548 -11.284 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.203 -12.759 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.463 -14.781 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.156 -14.725 8.045 1.00 0.00 H new ATOM 334 N ILE A 22 -3.537 -12.070 3.997 1.00 0.00 N ATOM 335 CA ILE A 22 -2.821 -13.324 4.225 1.00 0.00 C ATOM 336 C ILE A 22 -2.164 -13.336 5.602 1.00 0.00 C ATOM 337 O ILE A 22 -1.587 -12.334 6.024 1.00 0.00 O ATOM 338 CB ILE A 22 -1.728 -13.553 3.161 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.218 -13.123 1.778 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.299 -15.012 3.139 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.413 -11.992 1.181 1.00 0.00 C ATOM 0 H ILE A 22 -3.022 -11.234 4.274 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.560 -14.122 4.160 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.865 -12.941 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.181 -13.980 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.262 -12.818 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.528 -15.153 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.904 -15.290 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.158 -15.640 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.815 -11.738 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.470 -11.121 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.373 -12.301 1.078 1.00 0.00 H new ATOM 492 N ARG A 32 6.935 -15.571 -3.371 1.00 0.00 N ATOM 493 CA ARG A 32 6.719 -16.575 -4.403 1.00 0.00 C ATOM 494 C ARG A 32 5.247 -16.636 -4.788 1.00 0.00 C ATOM 495 O ARG A 32 4.580 -17.647 -4.577 1.00 0.00 O ATOM 496 CB ARG A 32 7.186 -17.945 -3.910 1.00 0.00 C ATOM 497 CG ARG A 32 8.647 -18.240 -4.211 1.00 0.00 C ATOM 498 CD ARG A 32 8.959 -19.722 -4.061 1.00 0.00 C ATOM 499 NE ARG A 32 10.146 -20.117 -4.820 1.00 0.00 N ATOM 500 CZ ARG A 32 10.255 -21.265 -5.490 1.00 0.00 C ATOM 501 NH1 ARG A 32 9.257 -22.141 -5.494 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.369 -21.541 -6.154 1.00 0.00 N ATOM 0 HA ARG A 32 7.299 -16.296 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.027 -18.007 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.567 -18.716 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.883 -17.918 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.282 -17.663 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.110 -19.955 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.103 -20.307 -4.397 1.00 0.00 H new ATOM 0 HE ARG A 32 10.939 -19.475 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.398 -21.938 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.349 -23.017 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.142 -20.876 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.453 -22.419 -6.667 1.00 0.00 H new ATOM 516 N ALA A 33 4.748 -15.539 -5.345 1.00 0.00 N ATOM 517 CA ALA A 33 3.351 -15.449 -5.754 1.00 0.00 C ATOM 518 C ALA A 33 2.980 -16.530 -6.756 1.00 0.00 C ATOM 519 O ALA A 33 1.978 -17.226 -6.588 1.00 0.00 O ATOM 520 CB ALA A 33 3.065 -14.089 -6.348 1.00 0.00 C ATOM 0 H ALA A 33 5.293 -14.696 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 33 2.744 -15.596 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.019 -14.036 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.269 -13.318 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.701 -13.931 -7.219 1.00 0.00 H new ATOM 526 N SER A 34 3.787 -16.660 -7.803 1.00 0.00 N ATOM 527 CA SER A 34 3.540 -17.652 -8.843 1.00 0.00 C ATOM 528 C SER A 34 3.225 -19.014 -8.232 1.00 0.00 C ATOM 529 O SER A 34 2.478 -19.807 -8.806 1.00 0.00 O ATOM 530 CB SER A 34 4.753 -17.756 -9.768 1.00 0.00 C ATOM 531 OG SER A 34 5.132 -16.480 -10.257 1.00 0.00 O ATOM 0 H SER A 34 4.619 -16.090 -7.954 1.00 0.00 H new ATOM 0 HA SER A 34 2.676 -17.331 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.588 -18.205 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.521 -18.415 -10.604 1.00 0.00 H new ATOM 0 HG SER A 34 4.350 -15.890 -10.271 1.00 0.00 H new ATOM 537 N ASP A 35 3.793 -19.271 -7.059 1.00 0.00 N ATOM 538 CA ASP A 35 3.566 -20.528 -6.359 1.00 0.00 C ATOM 539 C ASP A 35 2.612 -20.339 -5.181 1.00 0.00 C ATOM 540 O ASP A 35 2.004 -21.300 -4.708 1.00 0.00 O ATOM 541 CB ASP A 35 4.890 -21.116 -5.867 1.00 0.00 C ATOM 542 CG ASP A 35 5.653 -21.823 -6.970 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.264 -22.954 -7.329 1.00 0.00 O ATOM 544 OD2 ASP A 35 6.639 -21.246 -7.476 1.00 0.00 O ATOM 0 H ASP A 35 4.414 -18.624 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 35 3.109 -21.222 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.508 -20.318 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.694 -21.818 -5.057 1.00 0.00 H new ATOM 549 N TRP A 36 2.489 -19.101 -4.704 1.00 0.00 N ATOM 550 CA TRP A 36 1.616 -18.806 -3.575 1.00 0.00 C ATOM 551 C TRP A 36 0.154 -18.753 -4.018 1.00 0.00 C ATOM 552 O TRP A 36 -0.703 -19.410 -3.427 1.00 0.00 O ATOM 553 CB TRP A 36 2.037 -17.484 -2.923 1.00 0.00 C ATOM 554 CG TRP A 36 0.976 -16.858 -2.071 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.477 -17.337 -0.896 1.00 0.00 C ATOM 556 CD2 TRP A 36 0.282 -15.635 -2.334 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.486 -16.487 -0.413 1.00 0.00 N ATOM 558 CE2 TRP A 36 -0.623 -15.436 -1.278 1.00 0.00 C ATOM 559 CE3 TRP A 36 0.336 -14.689 -3.360 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.464 -14.331 -1.219 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -0.502 -13.593 -3.296 1.00 0.00 C ATOM 562 CH2 TRP A 36 -1.392 -13.422 -2.233 1.00 0.00 C ATOM 0 H TRP A 36 2.981 -18.291 -5.081 1.00 0.00 H new ATOM 0 HA TRP A 36 1.711 -19.605 -2.840 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.923 -17.658 -2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.322 -16.780 -3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.793 -18.251 -0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.014 -16.618 0.450 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.020 -14.812 -4.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.152 -14.197 -0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.469 -12.854 -4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.035 -12.554 -2.214 1.00 0.00 H new ATOM 573 N LYS A 37 -0.124 -17.976 -5.059 1.00 0.00 N ATOM 574 CA LYS A 37 -1.484 -17.852 -5.573 1.00 0.00 C ATOM 575 C LYS A 37 -2.423 -17.312 -4.503 1.00 0.00 C ATOM 576 O LYS A 37 -2.154 -17.435 -3.309 1.00 0.00 O ATOM 577 CB LYS A 37 -1.995 -19.208 -6.059 1.00 0.00 C ATOM 578 CG LYS A 37 -3.077 -19.102 -7.119 1.00 0.00 C ATOM 579 CD LYS A 37 -2.480 -18.842 -8.490 1.00 0.00 C ATOM 580 CE LYS A 37 -1.985 -20.129 -9.128 1.00 0.00 C ATOM 581 NZ LYS A 37 -1.727 -19.965 -10.584 1.00 0.00 N ATOM 0 H LYS A 37 0.571 -17.424 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.462 -17.152 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.159 -19.780 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.384 -19.767 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.659 -20.024 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.765 -18.297 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.228 -18.379 -9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.654 -18.136 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.070 -20.451 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.724 -20.916 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.391 -20.866 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.606 -19.682 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.003 -19.232 -10.728 1.00 0.00 H new ATOM 595 N LEU A 38 -3.527 -16.714 -4.938 1.00 0.00 N ATOM 596 CA LEU A 38 -4.501 -16.160 -4.011 1.00 0.00 C ATOM 597 C LEU A 38 -5.684 -15.545 -4.753 1.00 0.00 C ATOM 598 O LEU A 38 -5.524 -14.595 -5.518 1.00 0.00 O ATOM 599 CB LEU A 38 -3.838 -15.109 -3.125 1.00 0.00 C ATOM 600 CG LEU A 38 -4.582 -14.794 -1.832 1.00 0.00 C ATOM 601 CD1 LEU A 38 -4.102 -15.691 -0.700 1.00 0.00 C ATOM 602 CD2 LEU A 38 -4.407 -13.332 -1.471 1.00 0.00 C ATOM 0 H LEU A 38 -3.767 -16.602 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.877 -16.973 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.833 -15.448 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.730 -14.188 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.643 -14.989 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.647 -15.448 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.280 -16.734 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.036 -15.534 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.943 -13.119 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.347 -13.115 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.805 -12.709 -2.272 1.00 0.00 H new ATOM 614 N ASP A 39 -6.872 -16.096 -4.518 1.00 0.00 N ATOM 615 CA ASP A 39 -8.082 -15.604 -5.166 1.00 0.00 C ATOM 616 C ASP A 39 -9.226 -15.424 -4.168 1.00 0.00 C ATOM 617 O ASP A 39 -10.272 -14.878 -4.517 1.00 0.00 O ATOM 618 CB ASP A 39 -8.521 -16.562 -6.275 1.00 0.00 C ATOM 619 CG ASP A 39 -7.627 -16.482 -7.495 1.00 0.00 C ATOM 620 OD1 ASP A 39 -6.488 -15.987 -7.365 1.00 0.00 O ATOM 621 OD2 ASP A 39 -8.066 -16.914 -8.582 1.00 0.00 O ATOM 0 H ASP A 39 -7.021 -16.882 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.845 -14.630 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.518 -17.583 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.547 -16.333 -6.564 1.00 0.00 H new ATOM 626 N GLN A 40 -9.036 -15.877 -2.931 1.00 0.00 N ATOM 627 CA GLN A 40 -10.075 -15.744 -1.921 1.00 0.00 C ATOM 628 C GLN A 40 -9.915 -14.433 -1.138 1.00 0.00 C ATOM 629 O GLN A 40 -10.730 -13.523 -1.297 1.00 0.00 O ATOM 630 CB GLN A 40 -10.101 -16.970 -1.003 1.00 0.00 C ATOM 631 CG GLN A 40 -11.220 -16.938 0.024 1.00 0.00 C ATOM 632 CD GLN A 40 -10.702 -16.878 1.446 1.00 0.00 C ATOM 633 OE1 GLN A 40 -9.914 -17.724 1.868 1.00 0.00 O ATOM 634 NE2 GLN A 40 -11.142 -15.873 2.192 1.00 0.00 N ATOM 0 H GLN A 40 -8.182 -16.333 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.042 -15.698 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.204 -17.868 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.145 -17.045 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.856 -16.073 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.843 -17.824 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.795 -15.195 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.827 -15.779 3.158 1.00 0.00 H new ATOM 643 N PRO A 41 -8.866 -14.283 -0.299 1.00 0.00 N ATOM 644 CA PRO A 41 -8.663 -13.040 0.448 1.00 0.00 C ATOM 645 C PRO A 41 -8.274 -11.888 -0.478 1.00 0.00 C ATOM 646 O PRO A 41 -7.116 -11.758 -0.869 1.00 0.00 O ATOM 647 CB PRO A 41 -7.526 -13.375 1.418 1.00 0.00 C ATOM 648 CG PRO A 41 -6.799 -14.514 0.794 1.00 0.00 C ATOM 649 CD PRO A 41 -7.807 -15.275 -0.025 1.00 0.00 C ATOM 0 HA PRO A 41 -9.568 -12.709 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.867 -12.519 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.914 -13.647 2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.983 -14.155 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.357 -15.155 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.367 -15.655 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.197 -16.135 0.520 1.00 0.00 H new ATOM 657 N ASP A 42 -9.256 -11.060 -0.833 1.00 0.00 N ATOM 658 CA ASP A 42 -9.030 -9.924 -1.723 1.00 0.00 C ATOM 659 C ASP A 42 -10.218 -8.966 -1.685 1.00 0.00 C ATOM 660 O ASP A 42 -11.004 -8.904 -2.628 1.00 0.00 O ATOM 661 CB ASP A 42 -8.802 -10.394 -3.165 1.00 0.00 C ATOM 662 CG ASP A 42 -9.605 -11.628 -3.521 1.00 0.00 C ATOM 663 OD1 ASP A 42 -10.833 -11.504 -3.705 1.00 0.00 O ATOM 664 OD2 ASP A 42 -9.003 -12.718 -3.618 1.00 0.00 O ATOM 0 H ASP A 42 -10.220 -11.157 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.137 -9.404 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.064 -9.587 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.742 -10.603 -3.309 1.00 0.00 H new ATOM 669 N TRP A 43 -10.345 -8.217 -0.593 1.00 0.00 N ATOM 670 CA TRP A 43 -11.439 -7.267 -0.449 1.00 0.00 C ATOM 671 C TRP A 43 -11.220 -6.052 -1.348 1.00 0.00 C ATOM 672 O TRP A 43 -10.103 -5.795 -1.799 1.00 0.00 O ATOM 673 CB TRP A 43 -11.618 -6.834 1.018 1.00 0.00 C ATOM 674 CG TRP A 43 -10.342 -6.637 1.788 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.497 -7.607 2.252 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.786 -5.387 2.210 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.444 -7.034 2.924 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.600 -5.674 2.914 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.172 -4.052 2.056 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.800 -4.675 3.462 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.377 -3.062 2.601 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.203 -3.378 3.296 1.00 0.00 C ATOM 0 H TRP A 43 -9.706 -8.251 0.201 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.356 -7.767 -0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.183 -5.902 1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.221 -7.584 1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.637 -8.669 2.111 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.672 -7.539 3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.075 -3.799 1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.894 -4.915 3.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.666 -2.027 2.489 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.603 -2.581 3.710 1.00 0.00 H new ATOM 693 N THR A 44 -12.294 -5.309 -1.605 1.00 0.00 N ATOM 694 CA THR A 44 -12.220 -4.124 -2.454 1.00 0.00 C ATOM 695 C THR A 44 -12.736 -2.890 -1.721 1.00 0.00 C ATOM 696 O THR A 44 -13.778 -2.936 -1.065 1.00 0.00 O ATOM 697 CB THR A 44 -13.025 -4.341 -3.737 1.00 0.00 C ATOM 698 OG1 THR A 44 -14.037 -5.311 -3.533 1.00 0.00 O ATOM 699 CG2 THR A 44 -12.181 -4.800 -4.907 1.00 0.00 C ATOM 0 H THR A 44 -13.225 -5.507 -1.238 1.00 0.00 H new ATOM 0 HA THR A 44 -11.173 -3.959 -2.710 1.00 0.00 H new ATOM 0 HB THR A 44 -13.450 -3.367 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.543 -5.436 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.816 -4.934 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.419 -4.051 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.700 -5.746 -4.659 1.00 0.00 H new ATOM 707 N GLY A 45 -12.001 -1.787 -1.836 1.00 0.00 N ATOM 708 CA GLY A 45 -12.401 -0.557 -1.180 1.00 0.00 C ATOM 709 C GLY A 45 -11.428 0.578 -1.422 1.00 0.00 C ATOM 710 O GLY A 45 -10.665 0.558 -2.387 1.00 0.00 O ATOM 0 H GLY A 45 -11.136 -1.725 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.389 -0.265 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.488 -0.733 -0.108 1.00 0.00 H new ATOM 714 N ARG A 46 -11.461 1.572 -0.543 1.00 0.00 N ATOM 715 CA ARG A 46 -10.580 2.725 -0.661 1.00 0.00 C ATOM 716 C ARG A 46 -9.410 2.611 0.305 1.00 0.00 C ATOM 717 O ARG A 46 -9.585 2.249 1.470 1.00 0.00 O ATOM 718 CB ARG A 46 -11.355 4.017 -0.398 1.00 0.00 C ATOM 719 CG ARG A 46 -10.547 5.279 -0.649 1.00 0.00 C ATOM 720 CD ARG A 46 -10.417 6.127 0.602 1.00 0.00 C ATOM 721 NE ARG A 46 -11.497 7.106 0.721 1.00 0.00 N ATOM 722 CZ ARG A 46 -11.380 8.390 0.383 1.00 0.00 C ATOM 723 NH1 ARG A 46 -10.247 8.853 -0.131 1.00 0.00 N ATOM 724 NH2 ARG A 46 -12.403 9.214 0.553 1.00 0.00 N ATOM 0 H ARG A 46 -12.089 1.602 0.260 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.187 2.750 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.242 4.033 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.701 4.018 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.554 5.009 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.023 5.864 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.417 5.480 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.458 6.646 0.589 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.395 6.787 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.456 8.224 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.168 9.837 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.279 8.866 0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.315 10.197 0.295 1.00 0.00 H new ATOM 738 N LEU A 47 -8.219 2.925 -0.187 1.00 0.00 N ATOM 739 CA LEU A 47 -7.013 2.866 0.627 1.00 0.00 C ATOM 740 C LEU A 47 -6.227 4.164 0.502 1.00 0.00 C ATOM 741 O LEU A 47 -6.145 4.747 -0.579 1.00 0.00 O ATOM 742 CB LEU A 47 -6.139 1.683 0.203 1.00 0.00 C ATOM 743 CG LEU A 47 -5.277 1.078 1.316 1.00 0.00 C ATOM 744 CD1 LEU A 47 -5.851 -0.256 1.777 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.840 0.906 0.843 1.00 0.00 C ATOM 0 H LEU A 47 -8.062 3.224 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.307 2.730 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.783 0.902 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.485 2.007 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.282 1.763 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.224 -0.668 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.862 -0.105 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.879 -0.950 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.242 0.475 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.818 0.243 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.430 1.877 0.566 1.00 0.00 H new ATOM 757 N ARG A 48 -5.658 4.618 1.611 1.00 0.00 N ATOM 758 CA ARG A 48 -4.887 5.855 1.615 1.00 0.00 C ATOM 759 C ARG A 48 -3.924 5.898 2.794 1.00 0.00 C ATOM 760 O ARG A 48 -4.083 5.157 3.763 1.00 0.00 O ATOM 761 CB ARG A 48 -5.828 7.060 1.676 1.00 0.00 C ATOM 762 CG ARG A 48 -6.745 7.069 2.887 1.00 0.00 C ATOM 763 CD ARG A 48 -8.185 7.358 2.490 1.00 0.00 C ATOM 764 NE ARG A 48 -8.758 8.471 3.245 1.00 0.00 N ATOM 765 CZ ARG A 48 -9.336 8.342 4.438 1.00 0.00 C ATOM 766 NH1 ARG A 48 -9.401 7.156 5.030 1.00 0.00 N ATOM 767 NH2 ARG A 48 -9.849 9.404 5.042 1.00 0.00 N ATOM 0 H ARG A 48 -5.715 4.151 2.516 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.306 5.892 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.232 7.973 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.437 7.078 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.692 6.105 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.404 7.821 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.227 7.585 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.789 6.465 2.649 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.712 9.403 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.007 6.335 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.845 7.066 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.801 10.319 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.292 9.307 5.956 1.00 0.00 H new ATOM 781 N ILE A 49 -2.931 6.777 2.714 1.00 0.00 N ATOM 782 CA ILE A 49 -1.961 6.915 3.790 1.00 0.00 C ATOM 783 C ILE A 49 -1.672 8.390 4.075 1.00 0.00 C ATOM 784 O ILE A 49 -1.824 9.243 3.200 1.00 0.00 O ATOM 785 CB ILE A 49 -0.661 6.128 3.495 1.00 0.00 C ATOM 786 CG1 ILE A 49 0.216 6.837 2.466 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.003 4.733 2.997 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.663 6.392 2.507 1.00 0.00 C ATOM 0 H ILE A 49 -2.778 7.400 1.921 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.398 6.479 4.688 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.098 6.065 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.185 6.655 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.168 7.912 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.084 4.185 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.578 4.206 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.593 4.807 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.232 6.934 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.080 6.599 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.720 5.322 2.307 1.00 0.00 H new ATOM 800 N THR A 50 -1.280 8.682 5.311 1.00 0.00 N ATOM 801 CA THR A 50 -1.000 10.059 5.728 1.00 0.00 C ATOM 802 C THR A 50 -0.116 10.094 6.973 1.00 0.00 C ATOM 803 O THR A 50 0.102 9.070 7.620 1.00 0.00 O ATOM 804 CB THR A 50 -2.313 10.797 6.018 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.364 9.876 6.270 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.755 11.715 4.896 1.00 0.00 C ATOM 0 H THR A 50 -1.148 7.986 6.045 1.00 0.00 H new ATOM 0 HA THR A 50 -0.470 10.552 4.913 1.00 0.00 H new ATOM 0 HB THR A 50 -2.108 11.409 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.192 10.367 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.690 12.203 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.989 12.471 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.904 11.133 3.987 1.00 0.00 H new ATOM 814 N SER A 51 0.384 11.285 7.307 1.00 0.00 N ATOM 815 CA SER A 51 1.240 11.453 8.480 1.00 0.00 C ATOM 816 C SER A 51 0.968 12.781 9.188 1.00 0.00 C ATOM 817 O SER A 51 1.048 13.848 8.579 1.00 0.00 O ATOM 818 CB SER A 51 2.713 11.379 8.073 1.00 0.00 C ATOM 819 OG SER A 51 3.066 12.467 7.239 1.00 0.00 O ATOM 0 H SER A 51 0.211 12.143 6.784 1.00 0.00 H new ATOM 0 HA SER A 51 1.011 10.644 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.340 11.381 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.903 10.441 7.552 1.00 0.00 H new ATOM 0 HG SER A 51 2.407 13.185 7.342 1.00 0.00 H new ATOM 825 N LYS A 52 0.655 12.709 10.482 1.00 0.00 N ATOM 826 CA LYS A 52 0.382 13.908 11.273 1.00 0.00 C ATOM 827 C LYS A 52 1.591 14.837 11.287 1.00 0.00 C ATOM 828 O LYS A 52 1.492 16.008 10.921 1.00 0.00 O ATOM 829 CB LYS A 52 0.010 13.532 12.709 1.00 0.00 C ATOM 830 CG LYS A 52 -1.197 12.617 12.807 1.00 0.00 C ATOM 831 CD LYS A 52 -1.072 11.646 13.970 1.00 0.00 C ATOM 832 CE LYS A 52 -1.808 12.147 15.200 1.00 0.00 C ATOM 833 NZ LYS A 52 -1.413 13.539 15.547 1.00 0.00 N ATOM 0 H LYS A 52 0.584 11.835 11.003 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.457 14.428 10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.864 13.045 13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.189 14.443 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.099 13.216 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.308 12.059 11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.471 10.675 13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.019 11.499 14.210 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.883 12.107 15.023 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.599 11.488 16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.758 13.770 16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.377 13.622 15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.828 14.199 14.859 1.00 0.00 H new ATOM 847 N GLY A 53 2.732 14.306 11.718 1.00 0.00 N ATOM 848 CA GLY A 53 3.943 15.102 11.775 1.00 0.00 C ATOM 849 C GLY A 53 5.172 14.279 12.115 1.00 0.00 C ATOM 850 O GLY A 53 6.100 14.181 11.313 1.00 0.00 O ATOM 0 H GLY A 53 2.838 13.340 12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.095 15.593 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.821 15.889 12.520 1.00 0.00 H new ATOM 854 N LYS A 54 5.183 13.690 13.309 1.00 0.00 N ATOM 855 CA LYS A 54 6.313 12.876 13.751 1.00 0.00 C ATOM 856 C LYS A 54 6.121 11.407 13.370 1.00 0.00 C ATOM 857 O LYS A 54 7.088 10.649 13.291 1.00 0.00 O ATOM 858 CB LYS A 54 6.504 13.004 15.267 1.00 0.00 C ATOM 859 CG LYS A 54 6.351 14.427 15.788 1.00 0.00 C ATOM 860 CD LYS A 54 7.680 14.998 16.260 1.00 0.00 C ATOM 861 CE LYS A 54 7.843 14.863 17.766 1.00 0.00 C ATOM 862 NZ LYS A 54 8.876 13.852 18.123 1.00 0.00 N ATOM 0 H LYS A 54 4.424 13.761 13.986 1.00 0.00 H new ATOM 0 HA LYS A 54 7.206 13.245 13.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.780 12.363 15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.495 12.635 15.531 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.941 15.061 15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.637 14.439 16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.498 14.482 15.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.746 16.049 15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.118 15.829 18.190 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.889 14.580 18.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.957 13.789 19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.601 12.925 17.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.792 14.135 17.720 1.00 0.00 H new ATOM 876 N ILE A 55 4.872 11.010 13.135 1.00 0.00 N ATOM 877 CA ILE A 55 4.561 9.631 12.763 1.00 0.00 C ATOM 878 C ILE A 55 3.583 9.586 11.589 1.00 0.00 C ATOM 879 O ILE A 55 3.206 10.625 11.047 1.00 0.00 O ATOM 880 CB ILE A 55 3.957 8.851 13.950 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.828 9.658 14.592 1.00 0.00 C ATOM 882 CG2 ILE A 55 5.031 8.510 14.971 1.00 0.00 C ATOM 883 CD1 ILE A 55 1.535 9.607 13.810 1.00 0.00 C ATOM 0 H ILE A 55 4.059 11.623 13.195 1.00 0.00 H new ATOM 0 HA ILE A 55 5.500 9.162 12.470 1.00 0.00 H new ATOM 0 HB ILE A 55 3.541 7.915 13.577 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.650 9.282 15.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.144 10.697 14.690 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.584 7.960 15.799 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.799 7.896 14.500 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.481 9.429 15.346 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.777 10.200 14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.698 10.010 12.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.196 8.574 13.734 1.00 0.00 H new ATOM 895 N ALA A 56 3.171 8.379 11.200 1.00 0.00 N ATOM 896 CA ALA A 56 2.236 8.212 10.095 1.00 0.00 C ATOM 897 C ALA A 56 1.251 7.083 10.362 1.00 0.00 C ATOM 898 O ALA A 56 1.456 6.258 11.251 1.00 0.00 O ATOM 899 CB ALA A 56 2.989 7.941 8.803 1.00 0.00 C ATOM 0 H ALA A 56 3.471 7.506 11.635 1.00 0.00 H new ATOM 0 HA ALA A 56 1.672 9.140 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.278 7.818 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.651 8.779 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.579 7.031 8.910 1.00 0.00 H new ATOM 905 N TYR A 57 0.184 7.053 9.574 1.00 0.00 N ATOM 906 CA TYR A 57 -0.835 6.023 9.701 1.00 0.00 C ATOM 907 C TYR A 57 -1.600 5.864 8.395 1.00 0.00 C ATOM 908 O TYR A 57 -1.919 6.846 7.725 1.00 0.00 O ATOM 909 CB TYR A 57 -1.802 6.347 10.840 1.00 0.00 C ATOM 910 CG TYR A 57 -2.517 7.667 10.681 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.916 8.854 11.072 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.796 7.725 10.148 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.570 10.062 10.934 1.00 0.00 C ATOM 914 CE2 TYR A 57 -4.456 8.931 10.009 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.839 10.096 10.403 1.00 0.00 C ATOM 916 OH TYR A 57 -4.495 11.299 10.267 1.00 0.00 O ATOM 0 H TYR A 57 0.003 7.734 8.837 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.334 5.083 9.932 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.543 5.551 10.912 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.250 6.355 11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.921 8.833 11.491 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.284 6.813 9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.087 10.978 11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.452 8.959 9.593 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.380 11.146 9.875 1.00 0.00 H new ATOM 926 N ILE A 58 -1.889 4.621 8.040 1.00 0.00 N ATOM 927 CA ILE A 58 -2.612 4.327 6.814 1.00 0.00 C ATOM 928 C ILE A 58 -4.082 4.070 7.110 1.00 0.00 C ATOM 929 O ILE A 58 -4.414 3.237 7.948 1.00 0.00 O ATOM 930 CB ILE A 58 -2.014 3.097 6.101 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.163 1.853 6.974 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.549 3.333 5.773 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.255 0.918 6.509 1.00 0.00 C ATOM 0 H ILE A 58 -1.633 3.798 8.586 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.520 5.194 6.160 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.559 2.940 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.216 1.314 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.371 2.161 7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.143 2.455 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.458 4.200 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.006 3.513 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.304 0.057 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.211 1.441 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.038 0.581 5.495 1.00 0.00 H new ATOM 945 N LYS A 59 -4.958 4.788 6.419 1.00 0.00 N ATOM 946 CA LYS A 59 -6.393 4.636 6.622 1.00 0.00 C ATOM 947 C LYS A 59 -7.033 3.946 5.425 1.00 0.00 C ATOM 948 O LYS A 59 -6.639 4.169 4.282 1.00 0.00 O ATOM 949 CB LYS A 59 -7.050 6.003 6.843 1.00 0.00 C ATOM 950 CG LYS A 59 -7.014 6.479 8.289 1.00 0.00 C ATOM 951 CD LYS A 59 -8.153 7.444 8.590 1.00 0.00 C ATOM 952 CE LYS A 59 -7.662 8.881 8.673 1.00 0.00 C ATOM 953 NZ LYS A 59 -8.699 9.855 8.233 1.00 0.00 N ATOM 0 H LYS A 59 -4.701 5.480 5.715 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.547 4.020 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.550 6.741 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.088 5.954 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.078 5.620 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.060 6.968 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.914 7.363 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.627 7.166 9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.368 9.104 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.772 8.996 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.550 10.763 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.629 9.995 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.643 9.487 8.469 1.00 0.00 H new ATOM 967 N LEU A 60 -8.019 3.102 5.700 1.00 0.00 N ATOM 968 CA LEU A 60 -8.715 2.372 4.650 1.00 0.00 C ATOM 969 C LEU A 60 -10.187 2.196 4.997 1.00 0.00 C ATOM 970 O LEU A 60 -10.563 2.192 6.170 1.00 0.00 O ATOM 971 CB LEU A 60 -8.061 1.006 4.431 1.00 0.00 C ATOM 972 CG LEU A 60 -7.585 0.304 5.706 1.00 0.00 C ATOM 973 CD1 LEU A 60 -8.051 -1.141 5.738 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.073 0.370 5.820 1.00 0.00 C ATOM 0 H LEU A 60 -8.355 2.906 6.643 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.645 2.951 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.773 0.357 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.209 1.131 3.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.023 0.824 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.699 -1.616 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.140 -1.173 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.648 -1.672 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.755 -0.134 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.621 -0.121 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.756 1.412 5.852 1.00 0.00 H new ATOM 986 N GLU A 61 -11.014 2.042 3.969 1.00 0.00 N ATOM 987 CA GLU A 61 -12.449 1.854 4.167 1.00 0.00 C ATOM 988 C GLU A 61 -13.190 1.728 2.831 1.00 0.00 C ATOM 989 O GLU A 61 -13.248 0.649 2.243 1.00 0.00 O ATOM 990 CB GLU A 61 -13.032 2.997 5.011 1.00 0.00 C ATOM 991 CG GLU A 61 -12.384 4.350 4.754 1.00 0.00 C ATOM 992 CD GLU A 61 -13.403 5.459 4.574 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.360 5.523 5.374 1.00 0.00 O ATOM 994 OE2 GLU A 61 -13.244 6.265 3.632 1.00 0.00 O ATOM 0 H GLU A 61 -10.718 2.043 2.993 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.590 0.919 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.101 3.074 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.922 2.748 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.726 4.598 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.760 4.287 3.863 1.00 0.00 H new ATOM 1001 N ASP A 62 -13.756 2.838 2.359 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.491 2.859 1.103 1.00 0.00 C ATOM 1003 C ASP A 62 -14.729 4.301 0.669 1.00 0.00 C ATOM 1004 O ASP A 62 -15.220 5.114 1.451 1.00 0.00 O ATOM 1005 CB ASP A 62 -15.825 2.125 1.263 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.691 2.202 0.020 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.131 2.219 -1.096 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.931 2.241 0.165 1.00 0.00 O ATOM 0 H ASP A 62 -13.717 3.739 2.835 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.905 2.352 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.633 1.079 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.369 2.550 2.106 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.378 4.622 -0.570 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.562 5.982 -1.074 1.00 0.00 C ATOM 1015 C LYS A 63 -16.033 6.368 -1.083 1.00 0.00 C ATOM 1016 O LYS A 63 -16.376 7.550 -1.079 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.001 6.127 -2.486 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.206 7.519 -3.069 1.00 0.00 C ATOM 1019 CD LYS A 63 -13.317 8.546 -2.380 1.00 0.00 C ATOM 1020 CE LYS A 63 -12.746 9.548 -3.372 1.00 0.00 C ATOM 1021 NZ LYS A 63 -12.191 10.753 -2.695 1.00 0.00 N ATOM 0 H LYS A 63 -13.969 3.970 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.020 6.648 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.935 5.898 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.476 5.393 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.987 7.504 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.251 7.810 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.892 9.074 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.502 8.036 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.962 9.070 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.527 9.852 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.813 11.409 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.944 11.225 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.428 10.467 -2.048 1.00 0.00 H new ATOM 1035 N VAL A 64 -16.898 5.367 -1.105 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.328 5.607 -1.129 1.00 0.00 C ATOM 1037 C VAL A 64 -18.859 5.837 0.279 1.00 0.00 C ATOM 1038 O VAL A 64 -19.447 6.879 0.567 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.090 4.434 -1.780 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.458 4.893 -2.260 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.291 3.826 -2.933 1.00 0.00 C ATOM 0 H VAL A 64 -16.633 4.382 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.494 6.502 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.226 3.660 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -20.983 4.054 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.035 5.265 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.338 5.689 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -18.854 3.002 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.111 4.587 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.337 3.455 -2.559 1.00 0.00 H new ATOM 1051 N SER A 65 -18.648 4.866 1.159 1.00 0.00 N ATOM 1052 CA SER A 65 -19.109 4.978 2.535 1.00 0.00 C ATOM 1053 C SER A 65 -18.575 3.822 3.375 1.00 0.00 C ATOM 1054 O SER A 65 -18.146 4.013 4.513 1.00 0.00 O ATOM 1055 CB SER A 65 -20.638 5.007 2.574 1.00 0.00 C ATOM 1056 OG SER A 65 -21.110 6.204 3.169 1.00 0.00 O ATOM 0 H SER A 65 -18.162 3.995 0.944 1.00 0.00 H new ATOM 0 HA SER A 65 -18.729 5.909 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.033 4.920 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.007 4.148 3.135 1.00 0.00 H new ATOM 0 HG SER A 65 -22.090 6.199 3.181 1.00 0.00 H new ATOM 1062 N GLY A 66 -18.596 2.625 2.802 1.00 0.00 N ATOM 1063 CA GLY A 66 -18.105 1.457 3.505 1.00 0.00 C ATOM 1064 C GLY A 66 -18.967 1.086 4.694 1.00 0.00 C ATOM 1065 O GLY A 66 -20.195 1.127 4.615 1.00 0.00 O ATOM 0 H GLY A 66 -18.945 2.443 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.062 0.614 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.086 1.644 3.844 1.00 0.00 H new ATOM 1069 N GLU A 67 -18.322 0.719 5.797 1.00 0.00 N ATOM 1070 CA GLU A 67 -19.041 0.327 7.006 1.00 0.00 C ATOM 1071 C GLU A 67 -18.081 0.053 8.167 1.00 0.00 C ATOM 1072 O GLU A 67 -17.936 0.879 9.067 1.00 0.00 O ATOM 1073 CB GLU A 67 -19.899 -0.912 6.724 1.00 0.00 C ATOM 1074 CG GLU A 67 -21.395 -0.659 6.846 1.00 0.00 C ATOM 1075 CD GLU A 67 -22.221 -1.620 6.013 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -21.885 -1.820 4.826 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -23.206 -2.173 6.547 1.00 0.00 O ATOM 0 H GLU A 67 -17.306 0.685 5.879 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.686 1.155 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.681 -1.273 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.616 -1.705 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.690 -0.745 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.613 0.363 6.537 1.00 0.00 H new ATOM 1084 N LEU A 68 -17.436 -1.115 8.148 1.00 0.00 N ATOM 1085 CA LEU A 68 -16.501 -1.497 9.211 1.00 0.00 C ATOM 1086 C LEU A 68 -15.504 -0.376 9.528 1.00 0.00 C ATOM 1087 O LEU A 68 -15.564 0.226 10.600 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.743 -2.774 8.829 1.00 0.00 C ATOM 1089 CG LEU A 68 -16.583 -4.058 8.821 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -16.146 -4.980 7.688 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -16.476 -4.771 10.162 1.00 0.00 C ATOM 0 H LEU A 68 -17.543 -1.812 7.411 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.093 -1.682 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.310 -2.637 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.914 -2.906 9.524 1.00 0.00 H new ATOM 0 HG LEU A 68 -17.626 -3.786 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -16.754 -5.885 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -16.274 -4.469 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -15.097 -5.246 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -17.078 -5.680 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -15.435 -5.030 10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -16.839 -4.115 10.953 1.00 0.00 H new ATOM 1103 N PHE A 69 -14.585 -0.105 8.598 1.00 0.00 N ATOM 1104 CA PHE A 69 -13.568 0.942 8.786 1.00 0.00 C ATOM 1105 C PHE A 69 -12.400 0.426 9.624 1.00 0.00 C ATOM 1106 O PHE A 69 -12.596 -0.195 10.669 1.00 0.00 O ATOM 1107 CB PHE A 69 -14.174 2.187 9.452 1.00 0.00 C ATOM 1108 CG PHE A 69 -13.391 3.458 9.219 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -12.036 3.532 9.519 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -14.015 4.584 8.702 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -11.325 4.698 9.306 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -13.305 5.753 8.489 1.00 0.00 C ATOM 1113 CZ PHE A 69 -11.960 5.809 8.793 1.00 0.00 C ATOM 0 H PHE A 69 -14.521 -0.594 7.705 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.197 1.218 7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.189 2.326 9.081 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.248 2.011 10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.532 2.667 9.924 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.068 4.548 8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.272 4.739 9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.804 6.621 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.406 6.721 8.629 1.00 0.00 H new ATOM 1123 N ALA A 70 -11.183 0.703 9.165 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.978 0.285 9.873 1.00 0.00 C ATOM 1125 C ALA A 70 -8.754 1.022 9.338 1.00 0.00 C ATOM 1126 O ALA A 70 -8.840 1.741 8.343 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.786 -1.221 9.758 1.00 0.00 C ATOM 0 H ALA A 70 -11.005 1.217 8.302 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.096 0.539 10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.882 -1.514 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.646 -1.732 10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.692 -1.497 8.708 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.617 0.838 10.001 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.376 1.484 9.583 1.00 0.00 C ATOM 1135 C GLN A 71 -5.167 0.799 10.219 1.00 0.00 C ATOM 1136 O GLN A 71 -5.312 -0.034 11.112 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.395 2.973 9.945 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.555 3.246 11.429 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.938 3.754 11.780 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -8.822 3.820 10.927 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -8.130 4.118 13.040 1.00 0.00 N ATOM 0 H GLN A 71 -7.528 0.248 10.828 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.294 1.391 8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.469 3.432 9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.210 3.457 9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.355 2.331 11.987 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.812 3.979 11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.367 4.046 13.714 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.040 4.470 13.336 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.976 1.157 9.750 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.740 0.580 10.269 1.00 0.00 C ATOM 1152 C ALA A 72 -1.718 1.672 10.585 1.00 0.00 C ATOM 1153 O ALA A 72 -1.028 2.162 9.690 1.00 0.00 O ATOM 1154 CB ALA A 72 -2.161 -0.416 9.271 1.00 0.00 C ATOM 0 H ALA A 72 -3.840 1.845 9.010 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.972 0.054 11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.239 -0.838 9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.881 -1.216 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.948 0.093 8.331 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.607 2.073 11.867 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.664 3.117 12.290 1.00 0.00 C ATOM 1162 C PRO A 73 0.790 2.693 12.110 1.00 0.00 C ATOM 1163 O PRO A 73 1.143 1.538 12.348 1.00 0.00 O ATOM 1164 CB PRO A 73 -0.980 3.311 13.776 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.632 2.042 14.199 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.389 1.547 13.000 1.00 0.00 C ATOM 0 HA PRO A 73 -0.775 4.024 11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.074 3.500 14.351 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.640 4.165 13.931 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.891 1.311 14.522 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.302 2.210 15.042 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.445 0.459 12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.414 1.919 12.989 1.00 0.00 H new ATOM 1174 N VAL A 74 1.628 3.634 11.684 1.00 0.00 N ATOM 1175 CA VAL A 74 3.043 3.355 11.468 1.00 0.00 C ATOM 1176 C VAL A 74 3.925 4.315 12.265 1.00 0.00 C ATOM 1177 O VAL A 74 3.565 5.472 12.480 1.00 0.00 O ATOM 1178 CB VAL A 74 3.403 3.429 9.964 1.00 0.00 C ATOM 1179 CG1 VAL A 74 2.323 2.756 9.136 1.00 0.00 C ATOM 1180 CG2 VAL A 74 3.593 4.866 9.495 1.00 0.00 C ATOM 0 H VAL A 74 1.352 4.595 11.482 1.00 0.00 H new ATOM 0 HA VAL A 74 3.231 2.341 11.821 1.00 0.00 H new ATOM 0 HB VAL A 74 4.350 2.906 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.586 2.813 8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.236 1.711 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.371 3.260 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.844 4.872 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.671 5.425 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.400 5.330 10.062 1.00 0.00 H new ATOM 1190 N GLU A 75 5.081 3.825 12.699 1.00 0.00 N ATOM 1191 CA GLU A 75 6.016 4.635 13.474 1.00 0.00 C ATOM 1192 C GLU A 75 6.723 5.665 12.596 1.00 0.00 C ATOM 1193 O GLU A 75 7.385 6.572 13.101 1.00 0.00 O ATOM 1194 CB GLU A 75 7.052 3.737 14.153 1.00 0.00 C ATOM 1195 CG GLU A 75 7.658 4.334 15.413 1.00 0.00 C ATOM 1196 CD GLU A 75 6.612 4.872 16.372 1.00 0.00 C ATOM 1197 OE1 GLU A 75 5.925 4.054 17.020 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.482 6.110 16.476 1.00 0.00 O ATOM 0 H GLU A 75 5.394 2.870 12.527 1.00 0.00 H new ATOM 0 HA GLU A 75 5.444 5.170 14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.584 2.785 14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.852 3.522 13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.252 3.574 15.920 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.339 5.139 15.137 1.00 0.00 H new ATOM 1205 N GLN A 76 6.588 5.519 11.281 1.00 0.00 N ATOM 1206 CA GLN A 76 7.225 6.435 10.344 1.00 0.00 C ATOM 1207 C GLN A 76 8.742 6.327 10.450 1.00 0.00 C ATOM 1208 O GLN A 76 9.448 7.332 10.538 1.00 0.00 O ATOM 1209 CB GLN A 76 6.772 7.874 10.605 1.00 0.00 C ATOM 1210 CG GLN A 76 6.517 8.674 9.337 1.00 0.00 C ATOM 1211 CD GLN A 76 7.670 8.602 8.356 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.688 7.553 7.541 1.00 0.00 O flip ATOM 1213 NE2 GLN A 76 8.530 9.482 8.327 1.00 0.00 N flip ATOM 0 H GLN A 76 6.044 4.776 10.842 1.00 0.00 H new ATOM 0 HA GLN A 76 6.925 6.160 9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.860 7.856 11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.532 8.383 11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.612 8.304 8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.335 9.716 9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.475 10.270 8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.297 9.423 7.657 1.00 0.00 H new ATOM 1222 N TYR A 77 9.231 5.092 10.436 1.00 0.00 N ATOM 1223 CA TYR A 77 10.660 4.829 10.525 1.00 0.00 C ATOM 1224 C TYR A 77 11.000 3.456 9.941 1.00 0.00 C ATOM 1225 O TYR A 77 11.774 3.369 8.987 1.00 0.00 O ATOM 1226 CB TYR A 77 11.147 4.947 11.973 1.00 0.00 C ATOM 1227 CG TYR A 77 12.650 5.080 12.103 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.503 4.128 11.555 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.216 6.156 12.776 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.875 4.246 11.674 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.588 6.280 12.899 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.412 5.322 12.346 1.00 0.00 C ATOM 1233 OH TYR A 77 16.778 5.440 12.468 1.00 0.00 O ATOM 0 H TYR A 77 8.654 4.254 10.363 1.00 0.00 H new ATOM 0 HA TYR A 77 11.180 5.582 9.933 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.674 5.813 12.436 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.820 4.069 12.529 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.086 3.282 11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.574 6.908 13.210 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.523 3.498 11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.012 7.122 13.425 1.00 0.00 H new ATOM 0 HH TYR A 77 16.993 6.255 12.968 1.00 0.00 H new ATOM 1243 N PRO A 78 10.435 2.352 10.482 1.00 0.00 N ATOM 1244 CA PRO A 78 10.716 1.008 9.964 1.00 0.00 C ATOM 1245 C PRO A 78 10.036 0.749 8.623 1.00 0.00 C ATOM 1246 O PRO A 78 9.374 -0.271 8.439 1.00 0.00 O ATOM 1247 CB PRO A 78 10.143 0.084 11.038 1.00 0.00 C ATOM 1248 CG PRO A 78 9.045 0.872 11.659 1.00 0.00 C ATOM 1249 CD PRO A 78 9.490 2.311 11.620 1.00 0.00 C ATOM 0 HA PRO A 78 11.780 0.859 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.770 -0.844 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.901 -0.189 11.773 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.112 0.738 11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.864 0.548 12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.649 2.987 11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.972 2.607 12.552 1.00 0.00 H new ATOM 1257 N GLY A 79 10.211 1.673 7.683 1.00 0.00 N ATOM 1258 CA GLY A 79 9.615 1.514 6.371 1.00 0.00 C ATOM 1259 C GLY A 79 10.259 0.386 5.596 1.00 0.00 C ATOM 1260 O GLY A 79 11.427 0.473 5.216 1.00 0.00 O ATOM 0 H GLY A 79 10.754 2.527 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.548 1.319 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.715 2.444 5.811 1.00 0.00 H new ATOM 1264 N ILE A 80 9.504 -0.683 5.377 1.00 0.00 N ATOM 1265 CA ILE A 80 10.011 -1.848 4.659 1.00 0.00 C ATOM 1266 C ILE A 80 8.899 -2.846 4.395 1.00 0.00 C ATOM 1267 O ILE A 80 7.734 -2.592 4.700 1.00 0.00 O ATOM 1268 CB ILE A 80 11.129 -2.576 5.448 1.00 0.00 C ATOM 1269 CG1 ILE A 80 10.972 -2.351 6.952 1.00 0.00 C ATOM 1270 CG2 ILE A 80 12.501 -2.134 4.973 1.00 0.00 C ATOM 1271 CD1 ILE A 80 9.720 -2.981 7.518 1.00 0.00 C ATOM 0 H ILE A 80 8.536 -0.768 5.687 1.00 0.00 H new ATOM 0 HA ILE A 80 10.419 -1.474 3.720 1.00 0.00 H new ATOM 0 HB ILE A 80 11.035 -3.645 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.842 -2.759 7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.956 -1.280 7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.269 -2.658 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.611 -2.366 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.609 -1.060 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.667 -2.786 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.845 -2.555 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.745 -4.057 7.346 1.00 0.00 H new ATOM 1283 N ALA A 81 9.271 -3.987 3.827 1.00 0.00 N ATOM 1284 CA ALA A 81 8.324 -5.039 3.523 1.00 0.00 C ATOM 1285 C ALA A 81 7.449 -4.663 2.335 1.00 0.00 C ATOM 1286 O ALA A 81 6.256 -4.387 2.474 1.00 0.00 O ATOM 1287 CB ALA A 81 7.497 -5.382 4.753 1.00 0.00 C ATOM 0 H ALA A 81 10.234 -4.203 3.568 1.00 0.00 H new ATOM 0 HA ALA A 81 8.879 -5.933 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.790 -6.174 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.157 -5.719 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.951 -4.498 5.082 1.00 0.00 H new ATOM 1293 N VAL A 82 8.074 -4.668 1.162 1.00 0.00 N ATOM 1294 CA VAL A 82 7.412 -4.355 -0.099 1.00 0.00 C ATOM 1295 C VAL A 82 8.079 -5.135 -1.222 1.00 0.00 C ATOM 1296 O VAL A 82 9.293 -5.050 -1.404 1.00 0.00 O ATOM 1297 CB VAL A 82 7.489 -2.859 -0.469 1.00 0.00 C ATOM 1298 CG1 VAL A 82 6.563 -2.555 -1.640 1.00 0.00 C ATOM 1299 CG2 VAL A 82 7.171 -1.963 0.722 1.00 0.00 C ATOM 0 H VAL A 82 9.064 -4.892 1.059 1.00 0.00 H new ATOM 0 HA VAL A 82 6.363 -4.624 0.027 1.00 0.00 H new ATOM 0 HB VAL A 82 8.515 -2.643 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.628 -1.496 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.861 -3.150 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.537 -2.801 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.236 -0.918 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.163 -2.175 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.886 -2.154 1.522 1.00 0.00 H new ATOM 1309 N GLU A 83 7.294 -5.884 -1.973 1.00 0.00 N ATOM 1310 CA GLU A 83 7.827 -6.667 -3.078 1.00 0.00 C ATOM 1311 C GLU A 83 6.727 -7.029 -4.055 1.00 0.00 C ATOM 1312 O GLU A 83 5.551 -6.752 -3.819 1.00 0.00 O ATOM 1313 CB GLU A 83 8.486 -7.953 -2.568 1.00 0.00 C ATOM 1314 CG GLU A 83 9.990 -7.845 -2.374 1.00 0.00 C ATOM 1315 CD GLU A 83 10.743 -7.699 -3.683 1.00 0.00 C ATOM 1316 OE1 GLU A 83 10.097 -7.757 -4.751 1.00 0.00 O ATOM 1317 OE2 GLU A 83 11.979 -7.528 -3.640 1.00 0.00 O ATOM 0 H GLU A 83 6.286 -5.969 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 83 8.575 -6.057 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.027 -8.232 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.278 -8.759 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.209 -6.988 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.349 -8.731 -1.851 1.00 0.00 H new ATOM 1324 N THR A 84 7.115 -7.672 -5.143 1.00 0.00 N ATOM 1325 CA THR A 84 6.160 -8.101 -6.144 1.00 0.00 C ATOM 1326 C THR A 84 6.351 -9.581 -6.459 1.00 0.00 C ATOM 1327 O THR A 84 6.912 -10.336 -5.663 1.00 0.00 O ATOM 1328 CB THR A 84 6.279 -7.258 -7.428 1.00 0.00 C ATOM 1329 OG1 THR A 84 7.335 -7.716 -8.262 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.508 -5.785 -7.172 1.00 0.00 C ATOM 0 H THR A 84 8.085 -7.907 -5.354 1.00 0.00 H new ATOM 0 HA THR A 84 5.159 -7.953 -5.739 1.00 0.00 H new ATOM 0 HB THR A 84 5.314 -7.381 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.380 -7.160 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.581 -5.257 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.675 -5.382 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.433 -5.653 -6.612 1.00 0.00 H new ATOM 1338 N VAL A 85 5.871 -9.975 -7.622 1.00 0.00 N ATOM 1339 CA VAL A 85 5.956 -11.350 -8.088 1.00 0.00 C ATOM 1340 C VAL A 85 7.373 -11.713 -8.536 1.00 0.00 C ATOM 1341 O VAL A 85 7.840 -11.258 -9.581 1.00 0.00 O ATOM 1342 CB VAL A 85 4.975 -11.558 -9.253 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.552 -11.603 -8.727 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.123 -10.444 -10.283 1.00 0.00 C ATOM 0 H VAL A 85 5.407 -9.346 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 85 5.694 -12.003 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 85 5.204 -12.506 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.862 -11.751 -9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.451 -12.427 -8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.320 -10.664 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.421 -10.608 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.914 -9.483 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.140 -10.443 -10.674 1.00 0.00 H new ATOM 1354 N THR A 86 8.051 -12.534 -7.734 1.00 0.00 N ATOM 1355 CA THR A 86 9.417 -12.959 -8.036 1.00 0.00 C ATOM 1356 C THR A 86 9.496 -13.732 -9.355 1.00 0.00 C ATOM 1357 O THR A 86 10.468 -13.598 -10.099 1.00 0.00 O ATOM 1358 CB THR A 86 9.981 -13.822 -6.898 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.105 -14.892 -6.578 1.00 0.00 O ATOM 1360 CG2 THR A 86 10.237 -13.045 -5.624 1.00 0.00 C ATOM 0 H THR A 86 7.675 -12.919 -6.868 1.00 0.00 H new ATOM 0 HA THR A 86 10.017 -12.055 -8.136 1.00 0.00 H new ATOM 0 HB THR A 86 10.932 -14.197 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.491 -15.425 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.635 -13.716 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.958 -12.251 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.303 -12.608 -5.271 1.00 0.00 H new ATOM 1368 N ASP A 87 8.476 -14.539 -9.646 1.00 0.00 N ATOM 1369 CA ASP A 87 8.452 -15.322 -10.882 1.00 0.00 C ATOM 1370 C ASP A 87 7.587 -14.659 -11.955 1.00 0.00 C ATOM 1371 O ASP A 87 7.382 -15.227 -13.027 1.00 0.00 O ATOM 1372 CB ASP A 87 7.941 -16.740 -10.609 1.00 0.00 C ATOM 1373 CG ASP A 87 8.962 -17.804 -10.964 1.00 0.00 C ATOM 1374 OD1 ASP A 87 10.145 -17.636 -10.604 1.00 0.00 O ATOM 1375 OD2 ASP A 87 8.576 -18.806 -11.604 1.00 0.00 O ATOM 0 H ASP A 87 7.660 -14.668 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 87 9.475 -15.372 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.678 -16.831 -9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.029 -16.911 -11.181 1.00 0.00 H new ATOM 1380 N SER A 88 7.075 -13.465 -11.664 1.00 0.00 N ATOM 1381 CA SER A 88 6.229 -12.741 -12.611 1.00 0.00 C ATOM 1382 C SER A 88 4.867 -13.416 -12.758 1.00 0.00 C ATOM 1383 O SER A 88 4.774 -14.538 -13.251 1.00 0.00 O ATOM 1384 CB SER A 88 6.910 -12.641 -13.979 1.00 0.00 C ATOM 1385 OG SER A 88 8.225 -12.125 -13.860 1.00 0.00 O ATOM 0 H SER A 88 7.231 -12.979 -10.781 1.00 0.00 H new ATOM 0 HA SER A 88 6.077 -11.736 -12.217 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.944 -13.626 -14.444 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.322 -11.999 -14.635 1.00 0.00 H new ATOM 0 HG SER A 88 8.638 -12.073 -14.747 1.00 0.00 H new ATOM 1391 N SER A 89 3.810 -12.724 -12.340 1.00 0.00 N ATOM 1392 CA SER A 89 2.458 -13.262 -12.439 1.00 0.00 C ATOM 1393 C SER A 89 1.491 -12.204 -12.969 1.00 0.00 C ATOM 1394 O SER A 89 1.229 -12.165 -14.166 1.00 0.00 O ATOM 1395 CB SER A 89 1.992 -13.800 -11.084 1.00 0.00 C ATOM 1396 OG SER A 89 3.044 -14.483 -10.423 1.00 0.00 O ATOM 0 H SER A 89 3.864 -11.791 -11.930 1.00 0.00 H new ATOM 0 HA SER A 89 2.470 -14.091 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.640 -12.976 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.148 -14.475 -11.227 1.00 0.00 H new ATOM 0 HG SER A 89 2.725 -14.817 -9.559 1.00 0.00 H new ATOM 1402 N ARG A 90 0.975 -11.336 -12.089 1.00 0.00 N ATOM 1403 CA ARG A 90 0.054 -10.274 -12.515 1.00 0.00 C ATOM 1404 C ARG A 90 -0.508 -9.470 -11.334 1.00 0.00 C ATOM 1405 O ARG A 90 -1.679 -9.092 -11.345 1.00 0.00 O ATOM 1406 CB ARG A 90 -1.102 -10.855 -13.336 1.00 0.00 C ATOM 1407 CG ARG A 90 -1.363 -10.096 -14.628 1.00 0.00 C ATOM 1408 CD ARG A 90 -0.463 -10.580 -15.754 1.00 0.00 C ATOM 1409 NE ARG A 90 -0.245 -9.555 -16.772 1.00 0.00 N ATOM 1410 CZ ARG A 90 -1.068 -9.334 -17.794 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.187 -10.035 -17.921 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -0.770 -8.405 -18.693 1.00 0.00 N ATOM 0 H ARG A 90 1.176 -11.347 -11.089 1.00 0.00 H new ATOM 0 HA ARG A 90 0.637 -9.591 -13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.883 -11.896 -13.572 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.008 -10.849 -12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.407 -10.218 -14.918 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.200 -9.031 -14.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.497 -10.888 -15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.908 -11.460 -16.218 1.00 0.00 H new ATOM 0 HE ARG A 90 0.589 -8.973 -16.695 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.422 -10.750 -17.232 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.812 -9.859 -18.707 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.088 -7.862 -18.600 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.399 -8.234 -19.477 1.00 0.00 H new ATOM 1426 N TYR A 91 0.320 -9.198 -10.327 1.00 0.00 N ATOM 1427 CA TYR A 91 -0.123 -8.426 -9.164 1.00 0.00 C ATOM 1428 C TYR A 91 1.080 -7.989 -8.311 1.00 0.00 C ATOM 1429 O TYR A 91 2.228 -8.177 -8.711 1.00 0.00 O ATOM 1430 CB TYR A 91 -1.108 -9.254 -8.329 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.454 -9.928 -7.152 1.00 0.00 C ATOM 1432 CD1 TYR A 91 0.419 -10.980 -7.351 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.681 -9.497 -5.854 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.049 -11.591 -6.292 1.00 0.00 C ATOM 1435 CE2 TYR A 91 -0.049 -10.103 -4.784 1.00 0.00 C ATOM 1436 CZ TYR A 91 0.816 -11.150 -5.009 1.00 0.00 C ATOM 1437 OH TYR A 91 1.452 -11.758 -3.949 1.00 0.00 O ATOM 0 H TYR A 91 1.294 -9.497 -10.291 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.631 -7.527 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.908 -8.606 -7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.569 -10.010 -8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.610 -11.329 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.361 -8.677 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.725 -12.415 -6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.233 -9.757 -3.778 1.00 0.00 H new ATOM 0 HH TYR A 91 1.129 -12.679 -3.858 1.00 0.00 H new ATOM 1447 N PHE A 92 0.813 -7.406 -7.136 1.00 0.00 N ATOM 1448 CA PHE A 92 1.883 -6.950 -6.247 1.00 0.00 C ATOM 1449 C PHE A 92 1.448 -6.979 -4.782 1.00 0.00 C ATOM 1450 O PHE A 92 0.256 -7.031 -4.479 1.00 0.00 O ATOM 1451 CB PHE A 92 2.306 -5.531 -6.622 1.00 0.00 C ATOM 1452 CG PHE A 92 1.157 -4.570 -6.724 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.384 -4.519 -7.871 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.854 -3.714 -5.678 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.669 -3.635 -7.974 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.200 -2.824 -5.778 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.963 -2.785 -6.926 1.00 0.00 C ATOM 0 H PHE A 92 -0.129 -7.241 -6.782 1.00 0.00 H new ATOM 0 HA PHE A 92 2.725 -7.632 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.012 -5.163 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.833 -5.558 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.608 -5.180 -8.695 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.447 -3.742 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.264 -3.607 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.425 -2.160 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.788 -2.092 -7.005 1.00 0.00 H new ATOM 1467 N VAL A 93 2.427 -6.927 -3.878 1.00 0.00 N ATOM 1468 CA VAL A 93 2.151 -6.930 -2.442 1.00 0.00 C ATOM 1469 C VAL A 93 2.872 -5.788 -1.736 1.00 0.00 C ATOM 1470 O VAL A 93 3.936 -5.348 -2.170 1.00 0.00 O ATOM 1471 CB VAL A 93 2.562 -8.255 -1.765 1.00 0.00 C ATOM 1472 CG1 VAL A 93 1.468 -9.299 -1.911 1.00 0.00 C ATOM 1473 CG2 VAL A 93 3.884 -8.766 -2.322 1.00 0.00 C ATOM 0 H VAL A 93 3.418 -6.882 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 93 1.072 -6.806 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 93 2.702 -8.061 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.781 -10.224 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.553 -8.935 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.284 -9.488 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.150 -9.700 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.785 -8.938 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.664 -8.026 -2.144 1.00 0.00 H new ATOM 1483 N ILE A 94 2.289 -5.325 -0.635 1.00 0.00 N ATOM 1484 CA ILE A 94 2.870 -4.248 0.150 1.00 0.00 C ATOM 1485 C ILE A 94 2.629 -4.495 1.629 1.00 0.00 C ATOM 1486 O ILE A 94 1.607 -5.061 2.014 1.00 0.00 O ATOM 1487 CB ILE A 94 2.283 -2.875 -0.237 1.00 0.00 C ATOM 1488 CG1 ILE A 94 2.952 -1.753 0.576 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.772 -2.873 -0.051 1.00 0.00 C ATOM 1490 CD1 ILE A 94 2.300 -1.479 1.918 1.00 0.00 C ATOM 0 H ILE A 94 1.408 -5.684 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 94 3.940 -4.233 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 94 2.490 -2.688 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.998 -2.013 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.940 -0.837 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.373 -1.897 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.326 -3.641 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.534 -3.080 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.834 -0.675 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.262 -1.185 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.335 -2.380 2.530 1.00 0.00 H new ATOM 1502 N ARG A 95 3.572 -4.075 2.454 1.00 0.00 N ATOM 1503 CA ARG A 95 3.455 -4.255 3.891 1.00 0.00 C ATOM 1504 C ARG A 95 4.025 -3.040 4.621 1.00 0.00 C ATOM 1505 O ARG A 95 4.597 -2.144 3.997 1.00 0.00 O ATOM 1506 CB ARG A 95 4.177 -5.532 4.336 1.00 0.00 C ATOM 1507 CG ARG A 95 4.063 -6.705 3.361 1.00 0.00 C ATOM 1508 CD ARG A 95 5.412 -7.139 2.813 1.00 0.00 C ATOM 1509 NE ARG A 95 6.211 -7.839 3.819 1.00 0.00 N ATOM 1510 CZ ARG A 95 6.983 -8.891 3.554 1.00 0.00 C ATOM 1511 NH1 ARG A 95 7.126 -9.326 2.306 1.00 0.00 N ATOM 1512 NH2 ARG A 95 7.618 -9.505 4.540 1.00 0.00 N ATOM 0 H ARG A 95 4.427 -3.607 2.154 1.00 0.00 H new ATOM 0 HA ARG A 95 2.399 -4.353 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.232 -5.303 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.778 -5.841 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.591 -7.548 3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.412 -6.424 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.261 -7.790 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.958 -6.265 2.460 1.00 0.00 H new ATOM 0 HE ARG A 95 6.174 -7.501 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.642 -8.853 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.719 -10.133 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.515 -9.172 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.210 -10.311 4.341 1.00 0.00 H new ATOM 1526 N ILE A 96 3.851 -3.000 5.939 1.00 0.00 N ATOM 1527 CA ILE A 96 4.337 -1.881 6.741 1.00 0.00 C ATOM 1528 C ILE A 96 4.858 -2.370 8.098 1.00 0.00 C ATOM 1529 O ILE A 96 4.651 -3.523 8.463 1.00 0.00 O ATOM 1530 CB ILE A 96 3.218 -0.829 6.954 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.406 -0.619 5.670 1.00 0.00 C ATOM 1532 CG2 ILE A 96 3.800 0.498 7.407 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.050 0.010 5.905 1.00 0.00 C ATOM 0 H ILE A 96 3.378 -3.728 6.474 1.00 0.00 H new ATOM 0 HA ILE A 96 5.158 -1.414 6.198 1.00 0.00 H new ATOM 0 HB ILE A 96 2.556 -1.211 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.977 0.012 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.270 -1.581 5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.995 1.219 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.333 0.359 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.490 0.870 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.534 0.128 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.460 -0.631 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.178 0.987 6.371 1.00 0.00 H new ATOM 1545 N GLN A 97 5.521 -1.485 8.843 1.00 0.00 N ATOM 1546 CA GLN A 97 6.053 -1.834 10.160 1.00 0.00 C ATOM 1547 C GLN A 97 6.008 -0.635 11.113 1.00 0.00 C ATOM 1548 O GLN A 97 5.935 0.512 10.675 1.00 0.00 O ATOM 1549 CB GLN A 97 7.482 -2.361 10.029 1.00 0.00 C ATOM 1550 CG GLN A 97 8.118 -2.759 11.350 1.00 0.00 C ATOM 1551 CD GLN A 97 9.534 -3.270 11.171 1.00 0.00 C ATOM 1552 OE1 GLN A 97 10.470 -2.758 11.777 1.00 0.00 O ATOM 1553 NE2 GLN A 97 9.700 -4.279 10.323 1.00 0.00 N ATOM 0 H GLN A 97 5.702 -0.523 8.557 1.00 0.00 H new ATOM 0 HA GLN A 97 5.425 -2.618 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.480 -3.224 9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.098 -1.596 9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.125 -1.900 12.021 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.512 -3.530 11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.895 -4.676 9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.633 -4.656 10.156 1.00 0.00 H new ATOM 1562 N ASP A 98 6.039 -0.910 12.421 1.00 0.00 N ATOM 1563 CA ASP A 98 5.988 0.152 13.430 1.00 0.00 C ATOM 1564 C ASP A 98 6.660 -0.279 14.735 1.00 0.00 C ATOM 1565 O ASP A 98 6.323 -1.316 15.306 1.00 0.00 O ATOM 1566 CB ASP A 98 4.533 0.541 13.706 1.00 0.00 C ATOM 1567 CG ASP A 98 4.400 1.667 14.718 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.037 1.585 15.790 1.00 0.00 O ATOM 1569 OD2 ASP A 98 3.652 2.628 14.440 1.00 0.00 O ATOM 0 H ASP A 98 6.099 -1.853 12.804 1.00 0.00 H new ATOM 0 HA ASP A 98 6.532 1.011 13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.060 0.842 12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.992 -0.333 14.070 1.00 0.00 H new ATOM 1574 N GLY A 99 7.607 0.535 15.205 1.00 0.00 N ATOM 1575 CA GLY A 99 8.306 0.234 16.444 1.00 0.00 C ATOM 1576 C GLY A 99 9.463 -0.730 16.257 1.00 0.00 C ATOM 1577 O GLY A 99 10.274 -0.914 17.166 1.00 0.00 O ATOM 0 H GLY A 99 7.902 1.398 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.680 1.161 16.877 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.600 -0.189 17.159 1.00 0.00 H new ATOM 1581 N THR A 100 9.526 -1.362 15.087 1.00 0.00 N ATOM 1582 CA THR A 100 10.569 -2.338 14.779 1.00 0.00 C ATOM 1583 C THR A 100 10.190 -3.696 15.352 1.00 0.00 C ATOM 1584 O THR A 100 11.002 -4.368 15.988 1.00 0.00 O ATOM 1585 CB THR A 100 11.937 -1.900 15.313 1.00 0.00 C ATOM 1586 OG1 THR A 100 12.122 -0.505 15.144 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.089 -2.605 14.627 1.00 0.00 C ATOM 0 H THR A 100 8.859 -1.213 14.329 1.00 0.00 H new ATOM 0 HA THR A 100 10.650 -2.409 13.694 1.00 0.00 H new ATOM 0 HB THR A 100 11.939 -2.167 16.370 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.001 -0.247 15.493 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.032 -2.254 15.047 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.001 -3.680 14.781 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.064 -2.388 13.559 1.00 0.00 H new ATOM 1595 N GLY A 101 8.940 -4.090 15.121 1.00 0.00 N ATOM 1596 CA GLY A 101 8.457 -5.363 15.621 1.00 0.00 C ATOM 1597 C GLY A 101 7.061 -5.711 15.126 1.00 0.00 C ATOM 1598 O GLY A 101 6.713 -6.887 15.027 1.00 0.00 O ATOM 0 H GLY A 101 8.254 -3.549 14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.149 -6.150 15.320 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.454 -5.340 16.711 1.00 0.00 H new ATOM 1602 N ARG A 102 6.258 -4.694 14.815 1.00 0.00 N ATOM 1603 CA ARG A 102 4.894 -4.918 14.330 1.00 0.00 C ATOM 1604 C ARG A 102 4.779 -4.556 12.852 1.00 0.00 C ATOM 1605 O ARG A 102 4.963 -3.402 12.473 1.00 0.00 O ATOM 1606 CB ARG A 102 3.888 -4.099 15.149 1.00 0.00 C ATOM 1607 CG ARG A 102 2.489 -4.694 15.165 1.00 0.00 C ATOM 1608 CD ARG A 102 1.938 -4.863 13.758 1.00 0.00 C ATOM 1609 NE ARG A 102 0.534 -5.271 13.763 1.00 0.00 N ATOM 1610 CZ ARG A 102 -0.280 -5.141 12.717 1.00 0.00 C ATOM 1611 NH1 ARG A 102 0.161 -4.606 11.587 1.00 0.00 N ATOM 1612 NH2 ARG A 102 -1.539 -5.551 12.799 1.00 0.00 N ATOM 0 H ARG A 102 6.525 -3.712 14.889 1.00 0.00 H new ATOM 0 HA ARG A 102 4.665 -5.977 14.449 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.250 -4.014 16.174 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.839 -3.088 14.744 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.510 -5.661 15.667 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.825 -4.050 15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.040 -3.924 13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.529 -5.607 13.224 1.00 0.00 H new ATOM 0 HE ARG A 102 0.156 -5.679 14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.129 -4.291 11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.467 -4.509 10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.885 -5.966 13.664 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.161 -5.451 11.997 1.00 0.00 H new ATOM 1626 N SER A 103 4.484 -5.555 12.019 1.00 0.00 N ATOM 1627 CA SER A 103 4.358 -5.343 10.578 1.00 0.00 C ATOM 1628 C SER A 103 3.262 -6.230 9.980 1.00 0.00 C ATOM 1629 O SER A 103 3.157 -7.410 10.314 1.00 0.00 O ATOM 1630 CB SER A 103 5.699 -5.634 9.895 1.00 0.00 C ATOM 1631 OG SER A 103 6.638 -6.161 10.819 1.00 0.00 O ATOM 0 H SER A 103 4.328 -6.518 12.318 1.00 0.00 H new ATOM 0 HA SER A 103 4.079 -4.303 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.550 -6.342 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.093 -4.718 9.454 1.00 0.00 H new ATOM 0 HG SER A 103 7.485 -6.340 10.359 1.00 0.00 H new ATOM 1637 N ALA A 104 2.448 -5.653 9.092 1.00 0.00 N ATOM 1638 CA ALA A 104 1.361 -6.392 8.449 1.00 0.00 C ATOM 1639 C ALA A 104 1.639 -6.611 6.964 1.00 0.00 C ATOM 1640 O ALA A 104 2.072 -5.695 6.270 1.00 0.00 O ATOM 1641 CB ALA A 104 0.046 -5.646 8.624 1.00 0.00 C ATOM 0 H ALA A 104 2.522 -4.678 8.803 1.00 0.00 H new ATOM 0 HA ALA A 104 1.291 -7.368 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.756 -6.205 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.174 -5.540 9.686 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.125 -4.658 8.169 1.00 0.00 H new ATOM 1647 N PHE A 105 1.367 -7.823 6.477 1.00 0.00 N ATOM 1648 CA PHE A 105 1.582 -8.144 5.067 1.00 0.00 C ATOM 1649 C PHE A 105 0.254 -8.290 4.344 1.00 0.00 C ATOM 1650 O PHE A 105 -0.626 -9.031 4.779 1.00 0.00 O ATOM 1651 CB PHE A 105 2.399 -9.438 4.912 1.00 0.00 C ATOM 1652 CG PHE A 105 2.601 -9.874 3.477 1.00 0.00 C ATOM 1653 CD1 PHE A 105 1.547 -10.378 2.728 1.00 0.00 C ATOM 1654 CD2 PHE A 105 3.845 -9.775 2.880 1.00 0.00 C ATOM 1655 CE1 PHE A 105 1.736 -10.770 1.414 1.00 0.00 C ATOM 1656 CE2 PHE A 105 4.039 -10.167 1.568 1.00 0.00 C ATOM 1657 CZ PHE A 105 2.983 -10.663 0.834 1.00 0.00 C ATOM 0 H PHE A 105 1.000 -8.594 7.035 1.00 0.00 H new ATOM 0 HA PHE A 105 2.143 -7.322 4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.374 -9.297 5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 105 1.898 -10.238 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.568 -10.465 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.677 -9.386 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.907 -11.160 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.018 -10.085 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.131 -10.967 -0.192 1.00 0.00 H new ATOM 1667 N ILE A 106 0.118 -7.574 3.234 1.00 0.00 N ATOM 1668 CA ILE A 106 -1.095 -7.612 2.439 1.00 0.00 C ATOM 1669 C ILE A 106 -0.751 -7.442 0.969 1.00 0.00 C ATOM 1670 O ILE A 106 0.310 -6.917 0.632 1.00 0.00 O ATOM 1671 CB ILE A 106 -2.068 -6.498 2.861 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.387 -5.132 2.741 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -2.552 -6.736 4.282 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.287 -4.049 2.196 1.00 0.00 C ATOM 0 H ILE A 106 0.841 -6.957 2.865 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.576 -8.577 2.601 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.933 -6.511 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.024 -4.830 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.515 -5.227 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.240 -5.941 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.064 -7.697 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.699 -6.741 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.735 -3.111 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.630 -4.328 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.147 -3.925 2.854 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.643 -7.882 0.097 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.396 -7.759 -1.323 1.00 0.00 C ATOM 1688 C GLY A 107 -2.249 -6.689 -1.961 1.00 0.00 C ATOM 1689 O GLY A 107 -3.381 -6.473 -1.548 1.00 0.00 O ATOM 0 H GLY A 107 -2.530 -8.320 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.344 -7.528 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.593 -8.715 -1.808 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.717 -6.026 -2.976 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.460 -4.983 -3.668 1.00 0.00 C ATOM 1695 C ILE A 108 -2.383 -5.175 -5.178 1.00 0.00 C ATOM 1696 O ILE A 108 -1.306 -5.395 -5.731 1.00 0.00 O ATOM 1697 CB ILE A 108 -1.935 -3.579 -3.321 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -1.833 -3.390 -1.806 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -2.832 -2.515 -3.936 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -3.169 -3.300 -1.115 1.00 0.00 C ATOM 0 H ILE A 108 -0.778 -6.190 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.495 -5.063 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.934 -3.475 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.270 -4.222 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.265 -2.483 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.450 -1.526 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.846 -2.633 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -3.844 -2.623 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.016 -3.167 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.727 -2.451 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.732 -4.217 -1.290 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.529 -5.094 -5.837 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.565 -5.263 -7.275 1.00 0.00 C ATOM 1714 C GLY A 109 -4.895 -4.859 -7.868 1.00 0.00 C ATOM 1715 O GLY A 109 -5.792 -4.424 -7.149 1.00 0.00 O ATOM 0 H GLY A 109 -4.434 -4.914 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.772 -4.668 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.362 -6.305 -7.521 1.00 0.00 H new ATOM 1719 N PHE A 110 -5.020 -4.999 -9.181 1.00 0.00 N ATOM 1720 CA PHE A 110 -6.247 -4.640 -9.877 1.00 0.00 C ATOM 1721 C PHE A 110 -6.431 -5.513 -11.111 1.00 0.00 C ATOM 1722 O PHE A 110 -5.514 -6.226 -11.520 1.00 0.00 O ATOM 1723 CB PHE A 110 -6.207 -3.163 -10.287 1.00 0.00 C ATOM 1724 CG PHE A 110 -7.385 -2.367 -9.795 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -7.721 -2.358 -8.451 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -8.160 -1.632 -10.678 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -8.805 -1.632 -7.997 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -9.246 -0.903 -10.227 1.00 0.00 C ATOM 1729 CZ PHE A 110 -9.567 -0.904 -8.885 1.00 0.00 C ATOM 0 H PHE A 110 -4.283 -5.360 -9.787 1.00 0.00 H new ATOM 0 HA PHE A 110 -7.088 -4.801 -9.203 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.291 -2.714 -9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.164 -3.098 -11.374 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.128 -2.926 -7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.914 -1.628 -11.730 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -9.055 -1.635 -6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.842 -0.334 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.414 -0.335 -8.531 1.00 0.00 H new ATOM 1739 N THR A 111 -7.616 -5.450 -11.705 1.00 0.00 N ATOM 1740 CA THR A 111 -7.913 -6.233 -12.898 1.00 0.00 C ATOM 1741 C THR A 111 -6.994 -5.850 -14.062 1.00 0.00 C ATOM 1742 O THR A 111 -6.991 -6.512 -15.100 1.00 0.00 O ATOM 1743 CB THR A 111 -9.380 -6.058 -13.302 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.607 -6.571 -14.603 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.850 -4.618 -13.288 1.00 0.00 C ATOM 0 H THR A 111 -8.386 -4.865 -11.381 1.00 0.00 H new ATOM 0 HA THR A 111 -7.734 -7.281 -12.659 1.00 0.00 H new ATOM 0 HB THR A 111 -9.947 -6.609 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.770 -6.933 -14.962 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.898 -4.574 -13.585 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.740 -4.209 -12.284 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.251 -4.033 -13.985 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.210 -4.785 -13.888 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.291 -4.332 -14.926 1.00 0.00 C ATOM 1755 C ASP A 112 -4.017 -3.752 -14.314 1.00 0.00 C ATOM 1756 O ASP A 112 -4.035 -3.221 -13.204 1.00 0.00 O ATOM 1757 CB ASP A 112 -5.968 -3.282 -15.808 1.00 0.00 C ATOM 1758 CG ASP A 112 -7.127 -3.852 -16.602 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -6.873 -4.516 -17.628 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -8.289 -3.635 -16.197 1.00 0.00 O ATOM 0 H ASP A 112 -6.195 -4.222 -13.037 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.019 -5.193 -15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.327 -2.464 -15.183 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.234 -2.860 -16.494 1.00 0.00 H new ATOM 1765 N ARG A 113 -2.911 -3.859 -15.044 1.00 0.00 N ATOM 1766 CA ARG A 113 -1.629 -3.346 -14.570 1.00 0.00 C ATOM 1767 C ARG A 113 -1.540 -1.835 -14.764 1.00 0.00 C ATOM 1768 O ARG A 113 -0.945 -1.128 -13.951 1.00 0.00 O ATOM 1769 CB ARG A 113 -0.476 -4.037 -15.305 1.00 0.00 C ATOM 1770 CG ARG A 113 0.239 -5.089 -14.469 1.00 0.00 C ATOM 1771 CD ARG A 113 0.277 -6.439 -15.171 1.00 0.00 C ATOM 1772 NE ARG A 113 1.561 -6.681 -15.828 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.722 -6.764 -15.181 1.00 0.00 C ATOM 1774 NH1 ARG A 113 2.765 -6.643 -13.860 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.844 -6.975 -15.857 1.00 0.00 N ATOM 0 H ARG A 113 -2.876 -4.296 -15.965 1.00 0.00 H new ATOM 0 HA ARG A 113 -1.552 -3.561 -13.504 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.863 -4.506 -16.210 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.246 -3.284 -15.620 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.257 -4.758 -14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.264 -5.193 -13.508 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.087 -7.230 -14.446 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.523 -6.485 -15.910 1.00 0.00 H new ATOM 0 HE ARG A 113 1.568 -6.793 -16.842 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.905 -6.485 -13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.658 -6.708 -13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.817 -7.074 -16.872 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.733 -7.039 -15.362 1.00 0.00 H new ATOM 1789 N GLY A 114 -2.132 -1.347 -15.850 1.00 0.00 N ATOM 1790 CA GLY A 114 -2.105 0.077 -16.135 1.00 0.00 C ATOM 1791 C GLY A 114 -2.610 0.919 -14.977 1.00 0.00 C ATOM 1792 O GLY A 114 -1.940 1.857 -14.547 1.00 0.00 O ATOM 0 H GLY A 114 -2.630 -1.912 -16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.085 0.375 -16.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.714 0.278 -17.017 1.00 0.00 H new ATOM 1796 N ASP A 115 -3.795 0.584 -14.472 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.387 1.319 -13.359 1.00 0.00 C ATOM 1798 C ASP A 115 -3.597 1.093 -12.076 1.00 0.00 C ATOM 1799 O ASP A 115 -3.235 2.044 -11.382 1.00 0.00 O ATOM 1800 CB ASP A 115 -5.844 0.897 -13.154 1.00 0.00 C ATOM 1801 CG ASP A 115 -6.822 1.842 -13.825 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -6.403 2.952 -14.216 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -8.006 1.471 -13.961 1.00 0.00 O ATOM 0 H ASP A 115 -4.363 -0.191 -14.816 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.355 2.381 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.987 -0.109 -13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.060 0.854 -12.086 1.00 0.00 H new ATOM 1808 N ALA A 116 -3.330 -0.170 -11.764 1.00 0.00 N ATOM 1809 CA ALA A 116 -2.582 -0.517 -10.564 1.00 0.00 C ATOM 1810 C ALA A 116 -1.245 0.217 -10.512 1.00 0.00 C ATOM 1811 O ALA A 116 -0.668 0.397 -9.440 1.00 0.00 O ATOM 1812 CB ALA A 116 -2.371 -2.019 -10.494 1.00 0.00 C ATOM 0 H ALA A 116 -3.621 -0.970 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.165 -0.203 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.811 -2.266 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.338 -2.521 -10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.813 -2.349 -11.370 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.760 0.641 -11.676 1.00 0.00 N ATOM 1819 CA PHE A 117 0.505 1.359 -11.763 1.00 0.00 C ATOM 1820 C PHE A 117 0.338 2.799 -11.284 1.00 0.00 C ATOM 1821 O PHE A 117 1.056 3.255 -10.395 1.00 0.00 O ATOM 1822 CB PHE A 117 1.031 1.333 -13.204 1.00 0.00 C ATOM 1823 CG PHE A 117 2.092 2.362 -13.492 1.00 0.00 C ATOM 1824 CD1 PHE A 117 3.432 2.069 -13.297 1.00 0.00 C ATOM 1825 CD2 PHE A 117 1.746 3.621 -13.958 1.00 0.00 C ATOM 1826 CE1 PHE A 117 4.408 3.013 -13.562 1.00 0.00 C ATOM 1827 CE2 PHE A 117 2.716 4.568 -14.224 1.00 0.00 C ATOM 1828 CZ PHE A 117 4.049 4.264 -14.026 1.00 0.00 C ATOM 0 H PHE A 117 -1.226 0.499 -12.572 1.00 0.00 H new ATOM 0 HA PHE A 117 1.230 0.864 -11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.435 0.343 -13.414 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.196 1.488 -13.887 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.718 1.093 -12.934 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.706 3.864 -14.115 1.00 0.00 H new ATOM 0 HE1 PHE A 117 5.449 2.772 -13.406 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.432 5.545 -14.586 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.809 5.003 -14.233 1.00 0.00 H new ATOM 1838 N ASP A 118 -0.612 3.512 -11.883 1.00 0.00 N ATOM 1839 CA ASP A 118 -0.871 4.903 -11.521 1.00 0.00 C ATOM 1840 C ASP A 118 -1.056 5.057 -10.013 1.00 0.00 C ATOM 1841 O ASP A 118 -0.547 6.000 -9.413 1.00 0.00 O ATOM 1842 CB ASP A 118 -2.105 5.426 -12.257 1.00 0.00 C ATOM 1843 CG ASP A 118 -1.973 5.306 -13.762 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -1.434 6.243 -14.388 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -2.408 4.275 -14.316 1.00 0.00 O ATOM 0 H ASP A 118 -1.215 3.150 -12.621 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.004 5.492 -11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.984 4.872 -11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.268 6.470 -11.991 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.783 4.126 -9.406 1.00 0.00 N ATOM 1851 CA PHE A 119 -2.021 4.164 -7.967 1.00 0.00 C ATOM 1852 C PHE A 119 -0.697 4.063 -7.207 1.00 0.00 C ATOM 1853 O PHE A 119 -0.370 4.924 -6.391 1.00 0.00 O ATOM 1854 CB PHE A 119 -2.977 3.030 -7.562 1.00 0.00 C ATOM 1855 CG PHE A 119 -2.661 2.393 -6.235 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -1.751 1.352 -6.156 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -3.268 2.837 -5.071 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -1.451 0.766 -4.944 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -2.973 2.252 -3.853 1.00 0.00 C ATOM 1860 CZ PHE A 119 -2.063 1.215 -3.790 1.00 0.00 C ATOM 0 H PHE A 119 -2.217 3.337 -9.886 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.487 5.115 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.993 3.422 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.957 2.261 -8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.270 0.995 -7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.979 3.649 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.738 -0.044 -4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.453 2.605 -2.953 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.830 0.756 -2.840 1.00 0.00 H new ATOM 1870 N ASN A 120 0.054 3.000 -7.478 1.00 0.00 N ATOM 1871 CA ASN A 120 1.338 2.776 -6.825 1.00 0.00 C ATOM 1872 C ASN A 120 2.278 3.964 -7.012 1.00 0.00 C ATOM 1873 O ASN A 120 2.791 4.519 -6.046 1.00 0.00 O ATOM 1874 CB ASN A 120 1.995 1.516 -7.383 1.00 0.00 C ATOM 1875 CG ASN A 120 1.865 0.330 -6.453 1.00 0.00 C ATOM 1876 OD1 ASN A 120 1.837 0.480 -5.230 1.00 0.00 O ATOM 1877 ND2 ASN A 120 1.786 -0.859 -7.032 1.00 0.00 N ATOM 0 H ASN A 120 -0.207 2.277 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 120 1.149 2.655 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.543 1.270 -8.344 1.00 0.00 H new ATOM 0 HB3 ASN A 120 3.051 1.713 -7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 120 1.698 -1.700 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.813 -0.934 -8.049 1.00 0.00 H new ATOM 1884 N VAL A 121 2.516 4.339 -8.261 1.00 0.00 N ATOM 1885 CA VAL A 121 3.411 5.449 -8.560 1.00 0.00 C ATOM 1886 C VAL A 121 2.945 6.742 -7.892 1.00 0.00 C ATOM 1887 O VAL A 121 3.746 7.641 -7.638 1.00 0.00 O ATOM 1888 CB VAL A 121 3.544 5.670 -10.079 1.00 0.00 C ATOM 1889 CG1 VAL A 121 4.239 4.481 -10.726 1.00 0.00 C ATOM 1890 CG2 VAL A 121 2.182 5.906 -10.713 1.00 0.00 C ATOM 0 H VAL A 121 2.104 3.893 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 121 4.388 5.182 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 121 4.151 6.560 -10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.326 4.650 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.233 4.362 -10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.656 3.577 -10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.302 6.059 -11.785 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.545 5.039 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.722 6.789 -10.269 1.00 0.00 H new ATOM 1900 N SER A 122 1.649 6.829 -7.602 1.00 0.00 N ATOM 1901 CA SER A 122 1.093 8.014 -6.958 1.00 0.00 C ATOM 1902 C SER A 122 1.591 8.138 -5.520 1.00 0.00 C ATOM 1903 O SER A 122 2.087 9.191 -5.118 1.00 0.00 O ATOM 1904 CB SER A 122 -0.438 7.975 -6.983 1.00 0.00 C ATOM 1905 OG SER A 122 -0.971 9.198 -7.464 1.00 0.00 O ATOM 0 H SER A 122 0.968 6.096 -7.802 1.00 0.00 H new ATOM 0 HA SER A 122 1.430 8.887 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.774 7.154 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.817 7.779 -5.980 1.00 0.00 H new ATOM 0 HG SER A 122 -1.950 9.148 -7.472 1.00 0.00 H new ATOM 1911 N LEU A 123 1.450 7.065 -4.744 1.00 0.00 N ATOM 1912 CA LEU A 123 1.885 7.074 -3.350 1.00 0.00 C ATOM 1913 C LEU A 123 3.366 7.422 -3.248 1.00 0.00 C ATOM 1914 O LEU A 123 3.789 8.109 -2.319 1.00 0.00 O ATOM 1915 CB LEU A 123 1.611 5.719 -2.684 1.00 0.00 C ATOM 1916 CG LEU A 123 2.540 4.579 -3.110 1.00 0.00 C ATOM 1917 CD1 LEU A 123 3.754 4.501 -2.197 1.00 0.00 C ATOM 1918 CD2 LEU A 123 1.792 3.252 -3.120 1.00 0.00 C ATOM 0 H LEU A 123 1.041 6.184 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 123 1.312 7.839 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.686 5.842 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.583 5.428 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 123 2.888 4.785 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.400 3.684 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.306 5.440 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.428 4.323 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.470 2.455 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.411 3.042 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.959 3.309 -3.821 1.00 0.00 H new ATOM 1930 N GLN A 124 4.150 6.947 -4.210 1.00 0.00 N ATOM 1931 CA GLN A 124 5.584 7.212 -4.225 1.00 0.00 C ATOM 1932 C GLN A 124 5.859 8.691 -4.476 1.00 0.00 C ATOM 1933 O GLN A 124 6.613 9.325 -3.738 1.00 0.00 O ATOM 1934 CB GLN A 124 6.270 6.364 -5.295 1.00 0.00 C ATOM 1935 CG GLN A 124 6.580 4.948 -4.839 1.00 0.00 C ATOM 1936 CD GLN A 124 7.813 4.376 -5.511 1.00 0.00 C ATOM 1937 OE1 GLN A 124 8.337 4.951 -6.465 1.00 0.00 O ATOM 1938 NE2 GLN A 124 8.282 3.237 -5.016 1.00 0.00 N ATOM 0 H GLN A 124 3.817 6.378 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 124 5.989 6.946 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.632 6.322 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.197 6.852 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.724 4.941 -3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.725 4.307 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.816 2.795 -4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.109 2.804 -5.428 1.00 0.00 H new ATOM 1947 N ASP A 125 5.244 9.233 -5.526 1.00 0.00 N ATOM 1948 CA ASP A 125 5.418 10.640 -5.885 1.00 0.00 C ATOM 1949 C ASP A 125 5.375 11.537 -4.650 1.00 0.00 C ATOM 1950 O ASP A 125 6.152 12.485 -4.530 1.00 0.00 O ATOM 1951 CB ASP A 125 4.336 11.074 -6.875 1.00 0.00 C ATOM 1952 CG ASP A 125 4.736 12.303 -7.668 1.00 0.00 C ATOM 1953 OD1 ASP A 125 4.540 13.427 -7.160 1.00 0.00 O ATOM 1954 OD2 ASP A 125 5.245 12.141 -8.796 1.00 0.00 O ATOM 0 H ASP A 125 4.619 8.717 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 125 6.398 10.744 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.126 10.254 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.413 11.279 -6.333 1.00 0.00 H new ATOM 1959 N HIS A 126 4.463 11.228 -3.736 1.00 0.00 N ATOM 1960 CA HIS A 126 4.319 12.004 -2.511 1.00 0.00 C ATOM 1961 C HIS A 126 5.443 11.691 -1.529 1.00 0.00 C ATOM 1962 O HIS A 126 5.947 12.580 -0.843 1.00 0.00 O ATOM 1963 CB HIS A 126 2.969 11.719 -1.849 1.00 0.00 C ATOM 1964 CG HIS A 126 1.830 11.592 -2.814 1.00 0.00 C ATOM 1965 ND1 HIS A 126 1.033 10.470 -2.894 1.00 0.00 N ATOM 1966 CD2 HIS A 126 1.351 12.456 -3.740 1.00 0.00 C ATOM 1967 CE1 HIS A 126 0.114 10.647 -3.826 1.00 0.00 C ATOM 1968 NE2 HIS A 126 0.284 11.845 -4.354 1.00 0.00 N ATOM 0 H HIS A 126 3.813 10.446 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 126 4.372 13.059 -2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 126 3.047 10.798 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.746 12.519 -1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.736 13.442 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.646 9.934 -4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.284 12.251 -5.097 1.00 0.00 H new ATOM 1976 N PHE A 127 5.826 10.420 -1.459 1.00 0.00 N ATOM 1977 CA PHE A 127 6.883 9.992 -0.552 1.00 0.00 C ATOM 1978 C PHE A 127 8.242 10.544 -0.986 1.00 0.00 C ATOM 1979 O PHE A 127 8.695 11.562 -0.465 1.00 0.00 O ATOM 1980 CB PHE A 127 6.918 8.464 -0.464 1.00 0.00 C ATOM 1981 CG PHE A 127 7.743 7.946 0.678 1.00 0.00 C ATOM 1982 CD1 PHE A 127 7.187 7.788 1.938 1.00 0.00 C ATOM 1983 CD2 PHE A 127 9.074 7.615 0.490 1.00 0.00 C ATOM 1984 CE1 PHE A 127 7.945 7.309 2.990 1.00 0.00 C ATOM 1985 CE2 PHE A 127 9.838 7.136 1.538 1.00 0.00 C ATOM 1986 CZ PHE A 127 9.273 6.983 2.789 1.00 0.00 C ATOM 0 H PHE A 127 5.420 9.670 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 127 6.666 10.393 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.899 8.091 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.313 8.064 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.150 8.042 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.521 7.732 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.500 7.190 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.875 6.882 1.379 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.868 6.609 3.609 1.00 0.00 H new ATOM 1996 N LYS A 128 8.893 9.871 -1.935 1.00 0.00 N ATOM 1997 CA LYS A 128 10.198 10.312 -2.420 1.00 0.00 C ATOM 1998 C LYS A 128 10.047 11.376 -3.500 1.00 0.00 C ATOM 1999 O LYS A 128 9.062 11.390 -4.238 1.00 0.00 O ATOM 2000 CB LYS A 128 10.995 9.126 -2.969 1.00 0.00 C ATOM 2001 CG LYS A 128 10.355 8.470 -4.182 1.00 0.00 C ATOM 2002 CD LYS A 128 11.247 7.383 -4.763 1.00 0.00 C ATOM 2003 CE LYS A 128 11.179 7.357 -6.281 1.00 0.00 C ATOM 2004 NZ LYS A 128 11.077 5.969 -6.812 1.00 0.00 N ATOM 0 H LYS A 128 8.540 9.024 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 128 10.738 10.745 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 128 11.996 9.464 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.110 8.381 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.393 8.041 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.157 9.225 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 128 12.277 7.549 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 128 10.945 6.413 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 128 10.319 7.937 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.067 7.838 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 11.320 5.965 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 11.735 5.351 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 10.105 5.621 -6.688 1.00 0.00 H new ATOM 2018 N TRP A 129 11.031 12.265 -3.590 1.00 0.00 N ATOM 2019 CA TRP A 129 11.006 13.332 -4.584 1.00 0.00 C ATOM 2020 C TRP A 129 11.705 12.898 -5.870 1.00 0.00 C ATOM 2021 O TRP A 129 12.884 12.542 -5.857 1.00 0.00 O ATOM 2022 CB TRP A 129 11.669 14.596 -4.025 1.00 0.00 C ATOM 2023 CG TRP A 129 11.251 14.919 -2.621 1.00 0.00 C ATOM 2024 CD1 TRP A 129 9.973 15.051 -2.156 1.00 0.00 C ATOM 2025 CD2 TRP A 129 12.112 15.153 -1.498 1.00 0.00 C ATOM 2026 NE1 TRP A 129 9.987 15.347 -0.814 1.00 0.00 N ATOM 2027 CE2 TRP A 129 11.287 15.416 -0.387 1.00 0.00 C ATOM 2028 CE3 TRP A 129 13.500 15.164 -1.324 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 11.804 15.686 0.878 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 14.011 15.433 -0.067 1.00 0.00 C ATOM 2031 CH2 TRP A 129 13.165 15.689 1.019 1.00 0.00 C ATOM 0 H TRP A 129 11.854 12.268 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 129 9.964 13.552 -4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 129 12.752 14.472 -4.054 1.00 0.00 H new ATOM 0 HB3 TRP A 129 11.427 15.440 -4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.082 14.939 -2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 129 9.163 15.492 -0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 129 14.160 14.966 -2.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 11.154 15.886 1.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 15.081 15.446 0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.596 15.893 1.988 1.00 0.00 H new