USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 801 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: B 81 ASN : amide:sc= 1.03 K(o=1.2,f=-0.32!) USER MOD Set 1.2: B 84 THR OG1 : rot 90:sc= 0.179 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.714 F(o=-2.5,f=-1.7) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -2.46! C(o=-2.5!,f=-1.7!) USER MOD Set 3.1: B 45 HIS : no HE2:sc= -1.88! C(o=-1.1!,f=-3!) USER MOD Set 3.2: B 75 THR OG1 : rot -137:sc= 0.757 USER MOD Set 4.1: B 13 LYS NZ :NH3+ -133:sc= -0.0889! (180deg=-2.84!) USER MOD Set 4.2: B 25 TYR OH : rot 180:sc= 0.83 USER MOD Set 5.1: A 414 LYS NZ :NH3+ 169:sc= -0.0214 (180deg=-1.34) USER MOD Set 5.2: B 97 GLN : amide:sc= -5.7! C(o=-5.7!,f=-16!) USER MOD Single : B 14 LYS NZ :NH3+ 166:sc= 0.693 (180deg=-0.49) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.188 F(o=-1.2,f=-0.19) USER MOD Single : B 18 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.23) USER MOD Single : B 19 LYS NZ :NH3+ 161:sc= -0.0542 (180deg=-0.326) USER MOD Single : B 20 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : B 27 MET CE :methyl 157:sc= -0.223 (180deg=-0.777) USER MOD Single : B 42 THR OG1 : rot -15:sc= 0.613 USER MOD Single : B 44 SER OG : rot 30:sc= 0.99 USER MOD Single : B 46 MET CE :methyl 154:sc= -0.286 (180deg=-1.17) USER MOD Single : B 47 TYR OH : rot 155:sc= 0.772 USER MOD Single : B 51 LYS NZ :NH3+ -150:sc= 2.36 (180deg=1.49) USER MOD Single : B 52 CYS SG : rot 126:sc= 1.26 USER MOD Single : B 53 GLN :FLIP amide:sc= -4.37! C(o=-5.9!,f=-4.4!) USER MOD Single : B 54 LYS NZ :NH3+ 162:sc= 0.332 (180deg=-1.96!) USER MOD Single : B 56 SER OG : rot 151:sc= 0.731 USER MOD Single : B 60 LYS NZ :NH3+ -117:sc= -0.455 (180deg=-1.05!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN :FLIP amide:sc= -0.471 F(o=-2.2!,f=-0.47) USER MOD Single : B 70 HIS : no HD1:sc= 0.482 K(o=0.48,f=-2.1!) USER MOD Single : B 74 THR OG1 : rot 30:sc= 0.011 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.63 F(o=-3.3!,f=-2.6) USER MOD Single : B 80 SER OG : rot 49:sc= -0.818! USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 87 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.21) USER MOD Single : B 93 LYS NZ :NH3+ 168:sc= 1.93 (180deg=1.6) USER MOD Single : B 98 GLN : amide:sc=-0.00935 X(o=-0.0094,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.839 9.774 11.462 1.00 0.00 N ATOM 230 CA ASP A 405 9.740 8.357 11.830 1.00 0.00 C ATOM 231 C ASP A 405 8.852 8.093 13.040 1.00 0.00 C ATOM 232 O ASP A 405 8.610 6.936 13.386 1.00 0.00 O ATOM 233 CB ASP A 405 11.134 7.773 12.077 1.00 0.00 C ATOM 234 CG ASP A 405 11.765 7.189 10.824 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.383 7.594 9.705 1.00 0.00 O ATOM 236 OD2 ASP A 405 12.671 6.338 10.952 1.00 0.00 O ATOM 0 HA ASP A 405 9.265 7.863 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.783 8.553 12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.066 6.996 12.839 1.00 0.00 H new ATOM 241 N GLU A 406 8.357 9.135 13.681 1.00 0.00 N ATOM 242 CA GLU A 406 7.494 8.948 14.826 1.00 0.00 C ATOM 243 C GLU A 406 6.120 9.509 14.545 1.00 0.00 C ATOM 244 O GLU A 406 5.855 9.992 13.449 1.00 0.00 O ATOM 245 CB GLU A 406 8.070 9.591 16.097 1.00 0.00 C ATOM 246 CG GLU A 406 8.844 10.887 15.880 1.00 0.00 C ATOM 247 CD GLU A 406 8.093 11.933 15.075 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.329 12.023 13.856 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.272 12.669 15.657 1.00 0.00 O ATOM 0 H GLU A 406 8.536 10.107 13.431 1.00 0.00 H new ATOM 0 HA GLU A 406 7.422 7.875 15.002 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.250 9.788 16.788 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.729 8.871 16.582 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.103 11.309 16.851 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.781 10.657 15.372 1.00 0.00 H new ATOM 256 N ASP A 407 5.252 9.409 15.537 1.00 0.00 N ATOM 257 CA ASP A 407 3.906 9.912 15.454 1.00 0.00 C ATOM 258 C ASP A 407 3.160 9.364 14.246 1.00 0.00 C ATOM 259 O ASP A 407 2.925 10.070 13.276 1.00 0.00 O ATOM 260 CB ASP A 407 3.879 11.436 15.484 1.00 0.00 C ATOM 261 CG ASP A 407 2.476 11.990 15.633 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.223 13.108 15.132 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.628 11.307 16.248 1.00 0.00 O ATOM 0 H ASP A 407 5.472 8.969 16.431 1.00 0.00 H new ATOM 0 HA ASP A 407 3.379 9.554 16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.496 11.791 16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.323 11.822 14.566 1.00 0.00 H new ATOM 268 N PHE A 408 2.892 8.062 14.272 1.00 0.00 N ATOM 269 CA PHE A 408 2.094 7.424 13.247 1.00 0.00 C ATOM 270 C PHE A 408 0.928 6.776 13.943 1.00 0.00 C ATOM 271 O PHE A 408 1.099 5.987 14.874 1.00 0.00 O ATOM 272 CB PHE A 408 2.860 6.359 12.445 1.00 0.00 C ATOM 273 CG PHE A 408 3.868 6.896 11.478 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.584 6.937 10.126 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.092 7.360 11.914 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.494 7.439 9.227 1.00 0.00 C ATOM 277 CE2 PHE A 408 6.007 7.857 11.017 1.00 0.00 C ATOM 278 CZ PHE A 408 5.707 7.901 9.673 1.00 0.00 C ATOM 0 H PHE A 408 3.222 7.429 15.001 1.00 0.00 H new ATOM 0 HA PHE A 408 1.789 8.182 12.526 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.368 5.695 13.145 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.140 5.752 11.896 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.633 6.569 9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.333 7.332 12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.256 7.470 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.964 8.214 11.367 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.425 8.299 8.971 1.00 0.00 H new ATOM 288 N VAL A 409 -0.246 7.109 13.486 1.00 0.00 N ATOM 289 CA VAL A 409 -1.450 6.594 14.046 1.00 0.00 C ATOM 290 C VAL A 409 -1.779 5.298 13.373 1.00 0.00 C ATOM 291 O VAL A 409 -1.923 5.239 12.157 1.00 0.00 O ATOM 292 CB VAL A 409 -2.552 7.649 13.929 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.218 8.702 14.917 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.606 8.288 12.578 1.00 0.00 C ATOM 0 H VAL A 409 -0.389 7.752 12.707 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.341 6.380 15.109 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.518 7.173 14.099 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.973 9.488 14.881 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.194 8.268 15.917 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.242 9.126 14.681 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.407 9.027 12.557 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.655 8.778 12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.796 7.526 11.822 1.00 0.00 H new ATOM 304 N GLU A 410 -1.848 4.255 14.170 1.00 0.00 N ATOM 305 CA GLU A 410 -2.079 2.933 13.650 1.00 0.00 C ATOM 306 C GLU A 410 -3.327 2.875 12.783 1.00 0.00 C ATOM 307 O GLU A 410 -4.424 3.243 13.204 1.00 0.00 O ATOM 308 CB GLU A 410 -2.166 1.901 14.766 1.00 0.00 C ATOM 309 CG GLU A 410 -1.952 0.483 14.265 1.00 0.00 C ATOM 310 CD GLU A 410 -0.681 -0.137 14.806 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.366 0.073 15.997 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.042 -0.802 14.036 1.00 0.00 O ATOM 0 H GLU A 410 -1.747 4.301 15.184 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.221 2.691 13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.420 2.130 15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.143 1.970 15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.804 -0.133 14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.915 0.488 13.176 1.00 0.00 H new ATOM 319 N VAL A 411 -3.122 2.424 11.569 1.00 0.00 N ATOM 320 CA VAL A 411 -4.169 2.277 10.599 1.00 0.00 C ATOM 321 C VAL A 411 -4.685 0.844 10.653 1.00 0.00 C ATOM 322 O VAL A 411 -3.944 -0.110 10.365 1.00 0.00 O ATOM 323 CB VAL A 411 -3.672 2.616 9.176 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.836 2.796 8.226 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.835 3.850 9.205 1.00 0.00 C ATOM 0 H VAL A 411 -2.203 2.145 11.225 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.973 2.974 10.835 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.066 1.784 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.460 3.034 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.417 1.875 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.471 3.609 8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.490 4.080 8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.427 4.683 9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.975 3.691 9.855 1.00 0.00 H new ATOM 335 N PRO A 412 -5.948 0.683 11.080 1.00 0.00 N ATOM 336 CA PRO A 412 -6.600 -0.622 11.194 1.00 0.00 C ATOM 337 C PRO A 412 -6.856 -1.247 9.833 1.00 0.00 C ATOM 338 O PRO A 412 -6.631 -0.616 8.806 1.00 0.00 O ATOM 339 CB PRO A 412 -7.925 -0.305 11.891 1.00 0.00 C ATOM 340 CG PRO A 412 -8.190 1.121 11.555 1.00 0.00 C ATOM 341 CD PRO A 412 -6.843 1.779 11.492 1.00 0.00 C ATOM 0 HA PRO A 412 -5.985 -1.341 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.726 -0.952 11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.852 -0.452 12.969 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.714 1.208 10.603 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.821 1.591 12.310 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.830 2.600 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.553 2.194 12.457 1.00 0.00 H new ATOM 349 N GLU A 413 -7.324 -2.481 9.835 1.00 0.00 N ATOM 350 CA GLU A 413 -7.608 -3.196 8.606 1.00 0.00 C ATOM 351 C GLU A 413 -9.112 -3.203 8.354 1.00 0.00 C ATOM 352 O GLU A 413 -9.898 -3.025 9.284 1.00 0.00 O ATOM 353 CB GLU A 413 -7.063 -4.619 8.698 1.00 0.00 C ATOM 354 CG GLU A 413 -5.656 -4.679 9.270 1.00 0.00 C ATOM 355 CD GLU A 413 -4.977 -6.002 9.010 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.938 -6.848 9.923 1.00 0.00 O ATOM 357 OE2 GLU A 413 -4.474 -6.201 7.887 1.00 0.00 O ATOM 0 H GLU A 413 -7.517 -3.013 10.684 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.120 -2.696 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.728 -5.218 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.065 -5.068 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.058 -3.877 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.697 -4.502 10.345 1.00 0.00 H new ATOM 364 N LYS A 414 -9.514 -3.384 7.103 1.00 0.00 N ATOM 365 CA LYS A 414 -10.931 -3.382 6.764 1.00 0.00 C ATOM 366 C LYS A 414 -11.401 -4.680 6.147 1.00 0.00 C ATOM 367 O LYS A 414 -12.429 -5.215 6.555 1.00 0.00 O ATOM 368 CB LYS A 414 -11.217 -2.261 5.786 1.00 0.00 C ATOM 369 CG LYS A 414 -11.228 -0.909 6.438 1.00 0.00 C ATOM 370 CD LYS A 414 -10.862 0.165 5.450 1.00 0.00 C ATOM 371 CE LYS A 414 -11.536 1.455 5.817 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.076 2.591 4.981 1.00 0.00 N ATOM 0 H LYS A 414 -8.886 -3.533 6.313 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.471 -3.245 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.465 -2.273 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.181 -2.438 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.216 -0.708 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -10.526 -0.897 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -9.781 0.302 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -11.160 -0.137 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -12.615 1.342 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -11.342 1.678 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.695 3.412 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -10.099 2.838 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -11.111 2.320 3.978 1.00 0.00 H new ATOM 786 N VAL B 8 -0.395 -2.486 -11.261 1.00 0.00 N ATOM 787 CA VAL B 8 -0.365 -1.304 -10.418 1.00 0.00 C ATOM 788 C VAL B 8 -1.783 -0.790 -10.199 1.00 0.00 C ATOM 789 O VAL B 8 -2.382 -0.189 -11.089 1.00 0.00 O ATOM 790 CB VAL B 8 0.500 -0.184 -11.034 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.713 0.935 -10.029 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.834 -0.736 -11.515 1.00 0.00 C ATOM 0 HA VAL B 8 0.080 -1.588 -9.465 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.028 0.223 -11.896 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.325 1.717 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.251 1.351 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.219 0.541 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.428 0.071 -11.946 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.372 -1.173 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.660 -1.502 -12.271 1.00 0.00 H new ATOM 802 N LEU B 9 -2.314 -1.050 -9.013 1.00 0.00 N ATOM 803 CA LEU B 9 -3.668 -0.638 -8.668 1.00 0.00 C ATOM 804 C LEU B 9 -3.697 0.807 -8.184 1.00 0.00 C ATOM 805 O LEU B 9 -4.656 1.533 -8.432 1.00 0.00 O ATOM 806 CB LEU B 9 -4.242 -1.557 -7.584 1.00 0.00 C ATOM 807 CG LEU B 9 -4.152 -3.058 -7.876 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.694 -3.861 -6.703 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.904 -3.405 -9.153 1.00 0.00 C ATOM 0 H LEU B 9 -1.825 -1.547 -8.269 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.280 -0.713 -9.567 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.721 -1.355 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.289 -1.297 -7.429 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.103 -3.317 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.623 -4.925 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.111 -3.638 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.737 -3.595 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.827 -4.476 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.953 -3.130 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.471 -2.857 -9.990 1.00 0.00 H new ATOM 821 N LEU B 10 -2.646 1.222 -7.490 1.00 0.00 N ATOM 822 CA LEU B 10 -2.581 2.586 -6.973 1.00 0.00 C ATOM 823 C LEU B 10 -1.248 3.238 -7.315 1.00 0.00 C ATOM 824 O LEU B 10 -0.187 2.661 -7.085 1.00 0.00 O ATOM 825 CB LEU B 10 -2.803 2.588 -5.462 1.00 0.00 C ATOM 826 CG LEU B 10 -3.182 3.946 -4.863 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.594 4.353 -5.255 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.052 3.909 -3.352 1.00 0.00 C ATOM 0 H LEU B 10 -1.835 0.643 -7.273 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.372 3.168 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.589 1.871 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.893 2.235 -4.976 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.494 4.690 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.830 5.321 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.664 4.423 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.301 3.607 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.324 4.880 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.716 3.144 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.022 3.676 -3.081 1.00 0.00 H new ATOM 840 N ILE B 11 -1.311 4.440 -7.867 1.00 0.00 N ATOM 841 CA ILE B 11 -0.112 5.171 -8.249 1.00 0.00 C ATOM 842 C ILE B 11 0.058 6.423 -7.400 1.00 0.00 C ATOM 843 O ILE B 11 -0.774 7.325 -7.434 1.00 0.00 O ATOM 844 CB ILE B 11 -0.142 5.562 -9.745 1.00 0.00 C ATOM 845 CG1 ILE B 11 -0.067 4.304 -10.616 1.00 0.00 C ATOM 846 CG2 ILE B 11 0.997 6.521 -10.077 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.027 4.586 -12.100 1.00 0.00 C ATOM 0 H ILE B 11 -2.183 4.932 -8.061 1.00 0.00 H new ATOM 0 HA ILE B 11 0.736 4.507 -8.079 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.081 6.075 -9.954 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.799 3.716 -10.313 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.949 3.692 -10.428 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.956 6.782 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.899 7.425 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.951 6.042 -9.858 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.076 3.644 -12.647 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.851 5.146 -12.420 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.924 5.171 -12.303 1.00 0.00 H new ATOM 859 N VAL B 12 1.140 6.458 -6.635 1.00 0.00 N ATOM 860 CA VAL B 12 1.450 7.590 -5.774 1.00 0.00 C ATOM 861 C VAL B 12 2.682 8.321 -6.310 1.00 0.00 C ATOM 862 O VAL B 12 3.602 7.693 -6.852 1.00 0.00 O ATOM 863 CB VAL B 12 1.715 7.129 -4.325 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.633 8.299 -3.360 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.740 6.033 -3.924 1.00 0.00 C ATOM 0 H VAL B 12 1.826 5.704 -6.594 1.00 0.00 H new ATOM 0 HA VAL B 12 0.592 8.262 -5.770 1.00 0.00 H new ATOM 0 HB VAL B 12 2.725 6.723 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.823 7.948 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.378 9.047 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.639 8.743 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.944 5.722 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.280 6.411 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.857 5.180 -4.592 1.00 0.00 H new ATOM 875 N LYS B 13 2.701 9.636 -6.181 1.00 0.00 N ATOM 876 CA LYS B 13 3.813 10.433 -6.674 1.00 0.00 C ATOM 877 C LYS B 13 4.522 11.190 -5.557 1.00 0.00 C ATOM 878 O LYS B 13 3.970 11.384 -4.478 1.00 0.00 O ATOM 879 CB LYS B 13 3.324 11.413 -7.741 1.00 0.00 C ATOM 880 CG LYS B 13 3.150 10.771 -9.107 1.00 0.00 C ATOM 881 CD LYS B 13 4.489 10.342 -9.684 1.00 0.00 C ATOM 882 CE LYS B 13 4.359 9.096 -10.543 1.00 0.00 C ATOM 883 NZ LYS B 13 3.943 7.911 -9.746 1.00 0.00 N ATOM 0 H LYS B 13 1.958 10.176 -5.738 1.00 0.00 H new ATOM 0 HA LYS B 13 4.536 9.744 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.373 11.841 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.033 12.237 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.492 9.906 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.667 11.475 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.904 11.154 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.191 10.152 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.630 9.275 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.313 8.890 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.548 7.100 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.038 8.124 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 2.952 7.679 -9.960 1.00 0.00 H new ATOM 897 N LYS B 14 5.753 11.605 -5.857 1.00 0.00 N ATOM 898 CA LYS B 14 6.609 12.354 -4.940 1.00 0.00 C ATOM 899 C LYS B 14 6.586 11.800 -3.518 1.00 0.00 C ATOM 900 O LYS B 14 6.160 12.472 -2.578 1.00 0.00 O ATOM 901 CB LYS B 14 6.215 13.824 -4.955 1.00 0.00 C ATOM 902 CG LYS B 14 6.967 14.644 -5.992 1.00 0.00 C ATOM 903 CD LYS B 14 6.879 16.132 -5.698 1.00 0.00 C ATOM 904 CE LYS B 14 7.660 16.498 -4.446 1.00 0.00 C ATOM 905 NZ LYS B 14 7.513 17.936 -4.101 1.00 0.00 N ATOM 0 H LYS B 14 6.190 11.426 -6.761 1.00 0.00 H new ATOM 0 HA LYS B 14 7.635 12.246 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.145 13.903 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.394 14.250 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.013 14.337 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.558 14.443 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.265 16.696 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.835 16.419 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.315 15.887 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.715 16.267 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.854 18.097 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.071 18.511 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.511 18.208 -4.165 1.00 0.00 H new ATOM 919 N VAL B 15 7.059 10.577 -3.372 1.00 0.00 N ATOM 920 CA VAL B 15 7.119 9.923 -2.077 1.00 0.00 C ATOM 921 C VAL B 15 8.572 9.689 -1.713 1.00 0.00 C ATOM 922 O VAL B 15 9.319 9.099 -2.489 1.00 0.00 O ATOM 923 CB VAL B 15 6.359 8.580 -2.075 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.517 7.860 -0.740 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.891 8.808 -2.385 1.00 0.00 C ATOM 0 H VAL B 15 7.411 10.010 -4.143 1.00 0.00 H new ATOM 0 HA VAL B 15 6.640 10.571 -1.343 1.00 0.00 H new ATOM 0 HB VAL B 15 6.789 7.945 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.971 6.917 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.573 7.662 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.120 8.485 0.060 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.366 7.853 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.457 9.464 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.794 9.271 -3.367 1.00 0.00 H new ATOM 935 N ARG B 16 8.975 10.158 -0.549 1.00 0.00 N ATOM 936 CA ARG B 16 10.350 10.006 -0.121 1.00 0.00 C ATOM 937 C ARG B 16 10.504 8.896 0.901 1.00 0.00 C ATOM 938 O ARG B 16 9.738 8.797 1.858 1.00 0.00 O ATOM 939 CB ARG B 16 10.890 11.323 0.432 1.00 0.00 C ATOM 940 CG ARG B 16 11.020 12.393 -0.635 1.00 0.00 C ATOM 941 CD ARG B 16 12.093 13.412 -0.294 1.00 0.00 C ATOM 942 NE ARG B 16 11.572 14.512 0.512 1.00 0.00 N ATOM 943 CZ ARG B 16 11.082 15.643 0.013 1.00 0.00 C ATOM 944 NH1 ARG B 16 10.976 15.814 -1.303 1.00 0.00 N ATOM 945 NH2 ARG B 16 10.682 16.598 0.845 1.00 0.00 N ATOM 0 H ARG B 16 8.373 10.645 0.114 1.00 0.00 H new ATOM 0 HA ARG B 16 10.935 9.727 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.228 11.680 1.221 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.865 11.149 0.888 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.256 11.925 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.063 12.901 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.901 12.919 0.246 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.520 13.809 -1.215 1.00 0.00 H new ATOM 0 HE ARG B 16 11.585 14.406 1.526 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.272 15.074 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.599 16.685 -1.675 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.753 16.459 1.853 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.304 17.471 0.476 1.00 0.00 H new ATOM 959 N GLN B 17 11.498 8.059 0.665 1.00 0.00 N ATOM 960 CA GLN B 17 11.809 6.949 1.538 1.00 0.00 C ATOM 961 C GLN B 17 13.259 7.064 1.997 1.00 0.00 C ATOM 962 O GLN B 17 14.182 6.875 1.207 1.00 0.00 O ATOM 963 CB GLN B 17 11.587 5.622 0.801 1.00 0.00 C ATOM 964 CG GLN B 17 11.089 4.487 1.683 1.00 0.00 C ATOM 965 CD GLN B 17 12.061 4.125 2.787 1.00 0.00 C ATOM 966 OE1 GLN B 17 11.862 4.703 3.958 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 12.973 3.325 2.595 1.00 0.00 N flip ATOM 0 H GLN B 17 12.115 8.134 -0.144 1.00 0.00 H new ATOM 0 HA GLN B 17 11.153 6.973 2.408 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.868 5.783 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.524 5.319 0.335 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.134 4.770 2.126 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.906 3.608 1.065 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.093 2.900 1.676 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.610 3.086 3.355 1.00 0.00 H new ATOM 976 N LYS B 18 13.438 7.397 3.269 1.00 0.00 N ATOM 977 CA LYS B 18 14.750 7.541 3.883 1.00 0.00 C ATOM 978 C LYS B 18 15.719 8.398 3.062 1.00 0.00 C ATOM 979 O LYS B 18 16.714 7.899 2.535 1.00 0.00 O ATOM 980 CB LYS B 18 15.328 6.165 4.175 1.00 0.00 C ATOM 981 CG LYS B 18 14.883 5.604 5.518 1.00 0.00 C ATOM 982 CD LYS B 18 15.114 6.599 6.646 1.00 0.00 C ATOM 983 CE LYS B 18 14.072 6.452 7.746 1.00 0.00 C ATOM 984 NZ LYS B 18 12.997 7.476 7.639 1.00 0.00 N ATOM 0 H LYS B 18 12.666 7.577 3.911 1.00 0.00 H new ATOM 0 HA LYS B 18 14.614 8.084 4.818 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.030 5.477 3.384 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.416 6.223 4.155 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.825 5.345 5.472 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.428 4.684 5.727 1.00 0.00 H new ATOM 0 HD2 LYS B 18 16.109 6.450 7.065 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.084 7.614 6.249 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.630 5.457 7.696 1.00 0.00 H new ATOM 0 HE3 LYS B 18 14.557 6.537 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.274 7.298 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.404 8.423 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.561 7.424 6.696 1.00 0.00 H new ATOM 998 N LYS B 19 15.387 9.688 2.952 1.00 0.00 N ATOM 999 CA LYS B 19 16.196 10.675 2.240 1.00 0.00 C ATOM 1000 C LYS B 19 16.281 10.420 0.733 1.00 0.00 C ATOM 1001 O LYS B 19 17.192 10.907 0.067 1.00 0.00 O ATOM 1002 CB LYS B 19 17.582 10.703 2.863 1.00 0.00 C ATOM 1003 CG LYS B 19 17.632 11.431 4.195 1.00 0.00 C ATOM 1004 CD LYS B 19 18.997 12.033 4.479 1.00 0.00 C ATOM 1005 CE LYS B 19 19.104 12.463 5.930 1.00 0.00 C ATOM 1006 NZ LYS B 19 19.131 11.300 6.852 1.00 0.00 N ATOM 0 H LYS B 19 14.538 10.078 3.361 1.00 0.00 H new ATOM 0 HA LYS B 19 15.709 11.645 2.343 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.929 9.679 3.004 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.274 11.182 2.170 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.882 12.222 4.201 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.371 10.737 4.994 1.00 0.00 H new ATOM 0 HD2 LYS B 19 19.775 11.304 4.253 1.00 0.00 H new ATOM 0 HD3 LYS B 19 19.164 12.891 3.827 1.00 0.00 H new ATOM 0 HE2 LYS B 19 20.008 13.056 6.067 1.00 0.00 H new ATOM 0 HE3 LYS B 19 18.260 13.106 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 19.519 11.594 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.165 10.939 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 19.728 10.550 6.448 1.00 0.00 H new ATOM 1020 N GLN B 20 15.324 9.680 0.195 1.00 0.00 N ATOM 1021 CA GLN B 20 15.304 9.390 -1.235 1.00 0.00 C ATOM 1022 C GLN B 20 13.927 9.692 -1.807 1.00 0.00 C ATOM 1023 O GLN B 20 12.927 9.193 -1.305 1.00 0.00 O ATOM 1024 CB GLN B 20 15.662 7.926 -1.493 1.00 0.00 C ATOM 1025 CG GLN B 20 17.090 7.569 -1.117 1.00 0.00 C ATOM 1026 CD GLN B 20 17.246 6.103 -0.773 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.504 5.269 -1.641 1.00 0.00 O ATOM 1028 NE2 GLN B 20 17.089 5.777 0.501 1.00 0.00 N ATOM 0 H GLN B 20 14.553 9.270 0.722 1.00 0.00 H new ATOM 0 HA GLN B 20 16.045 10.021 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.978 7.290 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.508 7.705 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.754 7.818 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.401 8.174 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.876 6.499 1.190 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.181 4.804 0.794 1.00 0.00 H new ATOM 1037 N ASP B 21 13.874 10.521 -2.837 1.00 0.00 N ATOM 1038 CA ASP B 21 12.604 10.879 -3.468 1.00 0.00 C ATOM 1039 C ASP B 21 12.234 9.837 -4.513 1.00 0.00 C ATOM 1040 O ASP B 21 13.109 9.157 -5.054 1.00 0.00 O ATOM 1041 CB ASP B 21 12.687 12.268 -4.114 1.00 0.00 C ATOM 1042 CG ASP B 21 11.395 13.059 -3.971 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.351 12.605 -4.486 1.00 0.00 O ATOM 1044 OD2 ASP B 21 11.425 14.139 -3.332 1.00 0.00 O ATOM 0 H ASP B 21 14.693 10.961 -3.257 1.00 0.00 H new ATOM 0 HA ASP B 21 11.832 10.907 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.504 12.828 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.926 12.159 -5.172 1.00 0.00 H new ATOM 1049 N GLY B 22 10.948 9.677 -4.773 1.00 0.00 N ATOM 1050 CA GLY B 22 10.521 8.707 -5.756 1.00 0.00 C ATOM 1051 C GLY B 22 9.017 8.603 -5.870 1.00 0.00 C ATOM 1052 O GLY B 22 8.292 9.569 -5.634 1.00 0.00 O ATOM 0 H GLY B 22 10.195 10.198 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.936 8.976 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.928 7.730 -5.495 1.00 0.00 H new ATOM 1056 N ALA B 23 8.546 7.425 -6.237 1.00 0.00 N ATOM 1057 CA ALA B 23 7.119 7.181 -6.391 1.00 0.00 C ATOM 1058 C ALA B 23 6.718 5.844 -5.795 1.00 0.00 C ATOM 1059 O ALA B 23 7.463 4.868 -5.869 1.00 0.00 O ATOM 1060 CB ALA B 23 6.728 7.251 -7.859 1.00 0.00 C ATOM 0 H ALA B 23 9.134 6.615 -6.436 1.00 0.00 H new ATOM 0 HA ALA B 23 6.584 7.959 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.658 7.067 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.964 8.240 -8.252 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.281 6.497 -8.419 1.00 0.00 H new ATOM 1066 N LEU B 24 5.529 5.812 -5.214 1.00 0.00 N ATOM 1067 CA LEU B 24 5.010 4.605 -4.595 1.00 0.00 C ATOM 1068 C LEU B 24 3.921 4.008 -5.469 1.00 0.00 C ATOM 1069 O LEU B 24 3.119 4.731 -6.057 1.00 0.00 O ATOM 1070 CB LEU B 24 4.462 4.910 -3.200 1.00 0.00 C ATOM 1071 CG LEU B 24 3.997 3.685 -2.414 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.168 3.016 -1.710 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.919 4.070 -1.415 1.00 0.00 C ATOM 0 H LEU B 24 4.902 6.615 -5.159 1.00 0.00 H new ATOM 0 HA LEU B 24 5.822 3.885 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.234 5.422 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.625 5.602 -3.297 1.00 0.00 H new ATOM 0 HG LEU B 24 3.573 2.969 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.812 2.147 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.904 2.699 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.628 3.722 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.600 3.185 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.316 4.808 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.066 4.494 -1.945 1.00 0.00 H new ATOM 1085 N TYR B 25 3.917 2.696 -5.584 1.00 0.00 N ATOM 1086 CA TYR B 25 2.924 2.012 -6.398 1.00 0.00 C ATOM 1087 C TYR B 25 2.338 0.805 -5.676 1.00 0.00 C ATOM 1088 O TYR B 25 3.065 -0.106 -5.273 1.00 0.00 O ATOM 1089 CB TYR B 25 3.541 1.564 -7.727 1.00 0.00 C ATOM 1090 CG TYR B 25 4.095 2.700 -8.553 1.00 0.00 C ATOM 1091 CD1 TYR B 25 3.260 3.468 -9.350 1.00 0.00 C ATOM 1092 CD2 TYR B 25 5.450 3.010 -8.530 1.00 0.00 C ATOM 1093 CE1 TYR B 25 3.755 4.515 -10.097 1.00 0.00 C ATOM 1094 CE2 TYR B 25 5.953 4.055 -9.279 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.100 4.804 -10.060 1.00 0.00 C ATOM 1096 OH TYR B 25 5.587 5.858 -10.798 1.00 0.00 O ATOM 0 H TYR B 25 4.588 2.079 -5.126 1.00 0.00 H new ATOM 0 HA TYR B 25 2.117 2.720 -6.589 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.340 0.851 -7.524 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.785 1.038 -8.310 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.205 3.242 -9.386 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.119 2.425 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.090 5.106 -10.709 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.008 4.284 -9.253 1.00 0.00 H new ATOM 0 HH TYR B 25 6.555 5.932 -10.664 1.00 0.00 H new ATOM 1106 N LEU B 26 1.023 0.812 -5.501 1.00 0.00 N ATOM 1107 CA LEU B 26 0.334 -0.304 -4.873 1.00 0.00 C ATOM 1108 C LEU B 26 0.024 -1.315 -5.953 1.00 0.00 C ATOM 1109 O LEU B 26 -0.564 -0.968 -6.976 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.961 0.129 -4.186 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.794 1.019 -2.956 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.984 0.868 -2.024 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.492 0.698 -2.224 1.00 0.00 C ATOM 0 H LEU B 26 0.414 1.579 -5.786 1.00 0.00 H new ATOM 0 HA LEU B 26 0.975 -0.727 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.577 0.658 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.511 -0.765 -3.893 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.744 2.054 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.848 1.509 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.895 1.156 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.064 -0.170 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.586 1.346 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.477 -0.343 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.340 0.860 -2.890 1.00 0.00 H new ATOM 1125 N MET B 27 0.417 -2.551 -5.746 1.00 0.00 N ATOM 1126 CA MET B 27 0.202 -3.577 -6.742 1.00 0.00 C ATOM 1127 C MET B 27 -0.786 -4.619 -6.252 1.00 0.00 C ATOM 1128 O MET B 27 -1.186 -4.600 -5.086 1.00 0.00 O ATOM 1129 CB MET B 27 1.523 -4.236 -7.108 1.00 0.00 C ATOM 1130 CG MET B 27 2.723 -3.318 -6.961 1.00 0.00 C ATOM 1131 SD MET B 27 4.168 -3.904 -7.855 1.00 0.00 S ATOM 1132 CE MET B 27 4.224 -2.679 -9.152 1.00 0.00 C ATOM 0 H MET B 27 0.886 -2.871 -4.899 1.00 0.00 H new ATOM 0 HA MET B 27 -0.219 -3.105 -7.629 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.668 -5.113 -6.478 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.470 -4.589 -8.138 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.459 -2.323 -7.320 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.971 -3.220 -5.904 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.236 -2.618 -9.551 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.536 -2.961 -9.949 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.933 -1.709 -8.749 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.116 -5.554 -7.141 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.093 -6.607 -6.875 1.00 0.00 C ATOM 1144 C ALA B 28 -1.936 -7.243 -5.500 1.00 0.00 C ATOM 1145 O ALA B 28 -2.888 -7.271 -4.731 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.006 -7.675 -7.955 1.00 0.00 C ATOM 0 H ALA B 28 -0.709 -5.602 -8.075 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.075 -6.135 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.737 -8.458 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.214 -7.227 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.005 -8.106 -7.961 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.749 -7.718 -5.166 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.544 -8.341 -3.867 1.00 0.00 C ATOM 1154 C GLU B 29 0.658 -7.743 -3.147 1.00 0.00 C ATOM 1155 O GLU B 29 1.172 -8.334 -2.193 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.346 -9.855 -4.011 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.617 -10.636 -4.309 1.00 0.00 C ATOM 1158 CD GLU B 29 -1.677 -11.949 -3.544 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -1.473 -11.932 -2.310 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -1.937 -13.006 -4.164 1.00 0.00 O ATOM 0 H GLU B 29 0.077 -7.686 -5.764 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.439 -8.149 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.373 -10.040 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.093 -10.240 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -2.484 -10.028 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.675 -10.838 -5.379 1.00 0.00 H new ATOM 1167 N ARG B 30 1.090 -6.552 -3.551 1.00 0.00 N ATOM 1168 CA ARG B 30 2.260 -5.959 -2.914 1.00 0.00 C ATOM 1169 C ARG B 30 2.303 -4.446 -3.047 1.00 0.00 C ATOM 1170 O ARG B 30 1.609 -3.859 -3.860 1.00 0.00 O ATOM 1171 CB ARG B 30 3.540 -6.562 -3.509 1.00 0.00 C ATOM 1172 CG ARG B 30 4.029 -5.877 -4.784 1.00 0.00 C ATOM 1173 CD ARG B 30 5.069 -6.715 -5.513 1.00 0.00 C ATOM 1174 NE ARG B 30 6.119 -7.208 -4.620 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.224 -8.480 -4.226 1.00 0.00 C ATOM 1176 NH1 ARG B 30 5.348 -9.387 -4.650 1.00 0.00 N ATOM 1177 NH2 ARG B 30 7.206 -8.841 -3.405 1.00 0.00 N ATOM 0 H ARG B 30 0.664 -5.994 -4.291 1.00 0.00 H new ATOM 0 HA ARG B 30 2.190 -6.188 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.331 -6.515 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.365 -7.616 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.182 -5.693 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.455 -4.906 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.577 -7.562 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.521 -6.118 -6.305 1.00 0.00 H new ATOM 0 HE ARG B 30 6.811 -6.541 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.593 -9.112 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.432 -10.357 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.878 -8.147 -3.077 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.287 -9.812 -3.103 1.00 0.00 H new ATOM 1191 N ILE B 31 3.124 -3.833 -2.216 1.00 0.00 N ATOM 1192 CA ILE B 31 3.332 -2.399 -2.232 1.00 0.00 C ATOM 1193 C ILE B 31 4.811 -2.153 -2.485 1.00 0.00 C ATOM 1194 O ILE B 31 5.667 -2.672 -1.764 1.00 0.00 O ATOM 1195 CB ILE B 31 2.888 -1.721 -0.908 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.471 -0.308 -0.799 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.292 -2.560 0.296 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.975 0.466 0.403 1.00 0.00 C ATOM 0 H ILE B 31 3.669 -4.321 -1.505 1.00 0.00 H new ATOM 0 HA ILE B 31 2.720 -1.958 -3.019 1.00 0.00 H new ATOM 0 HB ILE B 31 1.801 -1.644 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.558 -0.376 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.225 0.247 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.969 -2.063 1.211 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.821 -3.541 0.231 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.375 -2.678 0.310 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.431 1.456 0.412 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.891 0.567 0.349 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.245 -0.066 1.315 1.00 0.00 H new ATOM 1210 N ALA B 32 5.120 -1.397 -3.519 1.00 0.00 N ATOM 1211 CA ALA B 32 6.504 -1.142 -3.853 1.00 0.00 C ATOM 1212 C ALA B 32 6.777 0.336 -4.066 1.00 0.00 C ATOM 1213 O ALA B 32 5.896 1.099 -4.463 1.00 0.00 O ATOM 1214 CB ALA B 32 6.896 -1.943 -5.083 1.00 0.00 C ATOM 0 H ALA B 32 4.439 -0.953 -4.136 1.00 0.00 H new ATOM 0 HA ALA B 32 7.114 -1.460 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.940 -1.746 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.765 -3.006 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.265 -1.653 -5.923 1.00 0.00 H new ATOM 1220 N TRP B 33 8.009 0.723 -3.791 1.00 0.00 N ATOM 1221 CA TRP B 33 8.445 2.095 -3.949 1.00 0.00 C ATOM 1222 C TRP B 33 9.708 2.133 -4.798 1.00 0.00 C ATOM 1223 O TRP B 33 10.639 1.353 -4.573 1.00 0.00 O ATOM 1224 CB TRP B 33 8.707 2.735 -2.582 1.00 0.00 C ATOM 1225 CG TRP B 33 9.213 4.142 -2.674 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.469 5.274 -2.837 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.578 4.563 -2.617 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.292 6.372 -2.893 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.589 5.961 -2.759 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.793 3.893 -2.460 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.765 6.701 -2.751 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.961 4.629 -2.452 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.939 6.020 -2.596 1.00 0.00 C ATOM 0 H TRP B 33 8.735 0.093 -3.451 1.00 0.00 H new ATOM 0 HA TRP B 33 7.659 2.662 -4.448 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.785 2.725 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.433 2.130 -2.038 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.392 5.302 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.985 7.337 -3.015 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.819 2.819 -2.347 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.751 7.775 -2.863 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.907 4.122 -2.333 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.870 6.567 -2.584 1.00 0.00 H new ATOM 1244 N ALA B 34 9.729 3.029 -5.770 1.00 0.00 N ATOM 1245 CA ALA B 34 10.872 3.175 -6.654 1.00 0.00 C ATOM 1246 C ALA B 34 11.351 4.619 -6.661 1.00 0.00 C ATOM 1247 O ALA B 34 10.537 5.544 -6.700 1.00 0.00 O ATOM 1248 CB ALA B 34 10.517 2.726 -8.063 1.00 0.00 C ATOM 0 H ALA B 34 8.961 3.671 -5.967 1.00 0.00 H new ATOM 0 HA ALA B 34 11.679 2.542 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.385 2.842 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.215 1.679 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.696 3.334 -8.443 1.00 0.00 H new ATOM 1254 N PRO B 35 12.674 4.828 -6.600 1.00 0.00 N ATOM 1255 CA PRO B 35 13.265 6.167 -6.610 1.00 0.00 C ATOM 1256 C PRO B 35 12.930 6.937 -7.888 1.00 0.00 C ATOM 1257 O PRO B 35 12.594 6.346 -8.917 1.00 0.00 O ATOM 1258 CB PRO B 35 14.773 5.906 -6.515 1.00 0.00 C ATOM 1259 CG PRO B 35 14.896 4.518 -5.987 1.00 0.00 C ATOM 1260 CD PRO B 35 13.696 3.777 -6.499 1.00 0.00 C ATOM 0 HA PRO B 35 12.883 6.784 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.251 6.000 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.256 6.624 -5.852 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.819 4.050 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.922 4.515 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.892 3.311 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.392 2.983 -5.817 1.00 0.00 H new ATOM 1368 N THR B 42 13.115 -0.288 -4.816 1.00 0.00 N ATOM 1369 CA THR B 42 14.018 -0.619 -3.729 1.00 0.00 C ATOM 1370 C THR B 42 13.236 -1.202 -2.558 1.00 0.00 C ATOM 1371 O THR B 42 13.754 -1.999 -1.777 1.00 0.00 O ATOM 1372 CB THR B 42 14.797 0.625 -3.271 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.001 1.797 -3.491 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.111 0.748 -4.027 1.00 0.00 C ATOM 0 HA THR B 42 14.731 -1.361 -4.089 1.00 0.00 H new ATOM 0 HB THR B 42 15.019 0.525 -2.208 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.259 1.580 -4.094 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.645 1.635 -3.686 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.721 -0.136 -3.842 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.910 0.833 -5.095 1.00 0.00 H new ATOM 1382 N ILE B 43 11.980 -0.795 -2.452 1.00 0.00 N ATOM 1383 CA ILE B 43 11.104 -1.275 -1.399 1.00 0.00 C ATOM 1384 C ILE B 43 9.973 -2.086 -2.013 1.00 0.00 C ATOM 1385 O ILE B 43 9.266 -1.591 -2.885 1.00 0.00 O ATOM 1386 CB ILE B 43 10.503 -0.110 -0.581 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.611 0.798 -0.034 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.640 -0.645 0.553 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.518 0.120 0.972 1.00 0.00 C ATOM 0 H ILE B 43 11.544 -0.128 -3.089 1.00 0.00 H new ATOM 0 HA ILE B 43 11.697 -1.894 -0.726 1.00 0.00 H new ATOM 0 HB ILE B 43 9.873 0.484 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.214 1.161 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.155 1.671 0.433 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.225 0.189 1.119 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.828 -1.244 0.141 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.249 -1.264 1.213 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.276 0.826 1.313 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.928 -0.218 1.824 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.004 -0.736 0.504 1.00 0.00 H new ATOM 1401 N SER B 44 9.819 -3.328 -1.583 1.00 0.00 N ATOM 1402 CA SER B 44 8.768 -4.181 -2.106 1.00 0.00 C ATOM 1403 C SER B 44 8.262 -5.129 -1.023 1.00 0.00 C ATOM 1404 O SER B 44 8.915 -6.117 -0.694 1.00 0.00 O ATOM 1405 CB SER B 44 9.297 -4.973 -3.303 1.00 0.00 C ATOM 1406 OG SER B 44 8.240 -5.479 -4.103 1.00 0.00 O ATOM 0 H SER B 44 10.408 -3.766 -0.875 1.00 0.00 H new ATOM 0 HA SER B 44 7.934 -3.559 -2.431 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.938 -4.333 -3.909 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.914 -5.799 -2.949 1.00 0.00 H new ATOM 0 HG SER B 44 7.469 -4.878 -4.044 1.00 0.00 H new ATOM 1412 N HIS B 45 7.102 -4.813 -0.466 1.00 0.00 N ATOM 1413 CA HIS B 45 6.500 -5.634 0.579 1.00 0.00 C ATOM 1414 C HIS B 45 5.159 -6.155 0.125 1.00 0.00 C ATOM 1415 O HIS B 45 4.382 -5.428 -0.486 1.00 0.00 O ATOM 1416 CB HIS B 45 6.301 -4.830 1.869 1.00 0.00 C ATOM 1417 CG HIS B 45 7.566 -4.436 2.564 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.325 -5.295 3.324 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.188 -3.234 2.626 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.358 -4.602 3.819 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.323 -3.345 3.422 1.00 0.00 N ATOM 0 H HIS B 45 6.555 -3.990 -0.721 1.00 0.00 H new ATOM 0 HA HIS B 45 7.178 -6.464 0.776 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.736 -3.928 1.635 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.693 -5.418 2.557 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.135 -6.284 3.482 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.855 -2.332 2.135 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.121 -5.018 4.460 1.00 0.00 H new ATOM 1429 N MET B 46 4.889 -7.412 0.402 1.00 0.00 N ATOM 1430 CA MET B 46 3.617 -7.986 0.043 1.00 0.00 C ATOM 1431 C MET B 46 2.654 -7.728 1.180 1.00 0.00 C ATOM 1432 O MET B 46 3.060 -7.653 2.339 1.00 0.00 O ATOM 1433 CB MET B 46 3.730 -9.488 -0.239 1.00 0.00 C ATOM 1434 CG MET B 46 4.605 -9.812 -1.437 1.00 0.00 C ATOM 1435 SD MET B 46 4.410 -11.507 -2.028 1.00 0.00 S ATOM 1436 CE MET B 46 2.672 -11.522 -2.465 1.00 0.00 C ATOM 0 H MET B 46 5.531 -8.050 0.872 1.00 0.00 H new ATOM 0 HA MET B 46 3.257 -7.523 -0.876 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.134 -9.986 0.642 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.733 -9.895 -0.406 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.369 -9.123 -2.248 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.649 -9.645 -1.171 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.497 -12.273 -3.235 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.077 -11.761 -1.583 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.383 -10.541 -2.843 1.00 0.00 H new ATOM 1446 N TYR B 47 1.390 -7.556 0.855 1.00 0.00 N ATOM 1447 CA TYR B 47 0.374 -7.298 1.873 1.00 0.00 C ATOM 1448 C TYR B 47 0.328 -8.441 2.882 1.00 0.00 C ATOM 1449 O TYR B 47 -0.005 -8.243 4.049 1.00 0.00 O ATOM 1450 CB TYR B 47 -1.002 -7.109 1.231 1.00 0.00 C ATOM 1451 CG TYR B 47 -1.047 -6.011 0.192 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.575 -4.735 0.473 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.560 -6.254 -1.072 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.615 -3.735 -0.481 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.605 -5.260 -2.028 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.132 -4.003 -1.729 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.169 -3.016 -2.685 1.00 0.00 O ATOM 0 H TYR B 47 1.035 -7.589 -0.101 1.00 0.00 H new ATOM 0 HA TYR B 47 0.642 -6.379 2.394 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.308 -8.047 0.768 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.729 -6.887 2.012 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -0.171 -4.521 1.451 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.931 -7.239 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.243 -2.748 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.010 -5.468 -3.007 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.178 -3.424 -3.576 1.00 0.00 H new ATOM 1467 N ALA B 48 0.707 -9.625 2.423 1.00 0.00 N ATOM 1468 CA ALA B 48 0.707 -10.816 3.257 1.00 0.00 C ATOM 1469 C ALA B 48 1.865 -10.822 4.257 1.00 0.00 C ATOM 1470 O ALA B 48 1.894 -11.657 5.155 1.00 0.00 O ATOM 1471 CB ALA B 48 0.755 -12.061 2.384 1.00 0.00 C ATOM 0 H ALA B 48 1.022 -9.786 1.466 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.217 -10.812 3.836 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.755 -12.949 3.016 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.117 -12.081 1.730 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.662 -12.047 1.779 1.00 0.00 H new ATOM 1477 N ASP B 49 2.817 -9.901 4.100 1.00 0.00 N ATOM 1478 CA ASP B 49 3.959 -9.829 5.014 1.00 0.00 C ATOM 1479 C ASP B 49 3.757 -8.708 6.022 1.00 0.00 C ATOM 1480 O ASP B 49 4.492 -8.595 7.011 1.00 0.00 O ATOM 1481 CB ASP B 49 5.287 -9.566 4.278 1.00 0.00 C ATOM 1482 CG ASP B 49 5.357 -10.109 2.862 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.876 -9.380 1.981 1.00 0.00 O ATOM 1484 OD2 ASP B 49 4.908 -11.247 2.622 1.00 0.00 O ATOM 0 H ASP B 49 2.822 -9.202 3.358 1.00 0.00 H new ATOM 0 HA ASP B 49 4.016 -10.798 5.510 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.460 -8.490 4.247 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.099 -10.003 4.859 1.00 0.00 H new ATOM 1489 N ILE B 50 2.759 -7.876 5.775 1.00 0.00 N ATOM 1490 CA ILE B 50 2.486 -6.745 6.642 1.00 0.00 C ATOM 1491 C ILE B 50 1.453 -7.111 7.708 1.00 0.00 C ATOM 1492 O ILE B 50 0.443 -7.741 7.413 1.00 0.00 O ATOM 1493 CB ILE B 50 1.985 -5.536 5.827 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.973 -5.219 4.700 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.797 -4.328 6.732 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.425 -4.277 3.650 1.00 0.00 C ATOM 0 H ILE B 50 2.125 -7.964 4.981 1.00 0.00 H new ATOM 0 HA ILE B 50 3.420 -6.475 7.135 1.00 0.00 H new ATOM 0 HB ILE B 50 1.020 -5.783 5.385 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.873 -4.782 5.132 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.271 -6.150 4.218 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.443 -3.483 6.142 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.065 -4.563 7.505 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.748 -4.072 7.199 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.183 -4.102 2.887 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.542 -4.720 3.189 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.154 -3.330 4.117 1.00 0.00 H new ATOM 1508 N LYS B 51 1.718 -6.719 8.946 1.00 0.00 N ATOM 1509 CA LYS B 51 0.814 -7.004 10.054 1.00 0.00 C ATOM 1510 C LYS B 51 -0.287 -5.953 10.122 1.00 0.00 C ATOM 1511 O LYS B 51 -1.466 -6.268 10.002 1.00 0.00 O ATOM 1512 CB LYS B 51 1.594 -7.038 11.371 1.00 0.00 C ATOM 1513 CG LYS B 51 0.784 -7.521 12.563 1.00 0.00 C ATOM 1514 CD LYS B 51 1.683 -7.938 13.722 1.00 0.00 C ATOM 1515 CE LYS B 51 2.429 -6.752 14.321 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.896 -6.832 14.073 1.00 0.00 N ATOM 0 H LYS B 51 2.555 -6.200 9.210 1.00 0.00 H new ATOM 0 HA LYS B 51 0.355 -7.979 9.890 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.462 -7.686 11.249 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.970 -6.037 11.583 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.111 -6.729 12.891 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.162 -8.364 12.263 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.080 -8.415 14.495 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.402 -8.680 13.375 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.040 -5.827 13.896 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.244 -6.712 15.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.406 -6.367 14.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.185 -7.830 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.123 -6.355 13.177 1.00 0.00 H new ATOM 1530 N CYS B 52 0.120 -4.709 10.303 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.800 -3.585 10.382 1.00 0.00 C ATOM 1532 C CYS B 52 -0.116 -2.363 9.797 1.00 0.00 C ATOM 1533 O CYS B 52 1.039 -2.451 9.374 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.213 -3.329 11.831 1.00 0.00 C ATOM 1535 SG CYS B 52 0.134 -3.509 13.026 1.00 0.00 S ATOM 0 H CYS B 52 1.101 -4.448 10.400 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.705 -3.808 9.816 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.621 -2.321 11.909 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.014 -4.019 12.096 1.00 0.00 H new ATOM 0 HG CYS B 52 0.231 -2.425 13.737 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.783 -1.221 9.768 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.174 -0.053 9.206 1.00 0.00 C ATOM 1543 C GLN B 53 -0.408 1.110 10.149 1.00 0.00 C ATOM 1544 O GLN B 53 -1.161 0.973 11.094 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.792 0.181 7.822 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.296 -0.012 7.816 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.974 0.574 6.601 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.376 1.596 6.013 1.00 0.00 O flip ATOM 1549 NE2 GLN B 53 -4.036 0.120 6.199 1.00 0.00 N flip ATOM 0 H GLN B 53 -1.730 -1.090 10.123 1.00 0.00 H new ATOM 0 HA GLN B 53 0.903 -0.167 9.083 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.558 1.192 7.490 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.338 -0.503 7.105 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.518 -1.078 7.867 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.716 0.444 8.712 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.467 -0.670 6.679 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.490 0.531 5.384 1.00 0.00 H new ATOM 1558 N LYS B 54 0.302 2.202 9.956 1.00 0.00 N ATOM 1559 CA LYS B 54 0.125 3.407 10.758 1.00 0.00 C ATOM 1560 C LYS B 54 0.312 4.585 9.833 1.00 0.00 C ATOM 1561 O LYS B 54 0.801 4.423 8.719 1.00 0.00 O ATOM 1562 CB LYS B 54 1.128 3.518 11.913 1.00 0.00 C ATOM 1563 CG LYS B 54 1.282 2.265 12.745 1.00 0.00 C ATOM 1564 CD LYS B 54 1.195 2.599 14.220 1.00 0.00 C ATOM 1565 CE LYS B 54 2.320 1.966 15.002 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.123 0.504 15.184 1.00 0.00 N ATOM 0 H LYS B 54 1.022 2.285 9.238 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.867 3.378 11.210 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.102 3.787 11.504 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.819 4.334 12.566 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.505 1.547 12.481 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.240 1.792 12.528 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.224 3.681 14.351 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.239 2.256 14.615 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.264 2.142 14.486 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.396 2.445 15.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.028 0.061 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.427 0.339 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.776 0.087 14.297 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.096 5.750 10.263 1.00 0.00 N ATOM 1581 CA ILE B 55 0.048 6.937 9.431 1.00 0.00 C ATOM 1582 C ILE B 55 0.483 8.121 10.245 1.00 0.00 C ATOM 1583 O ILE B 55 -0.047 8.325 11.305 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.303 7.318 8.789 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.396 7.133 9.831 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.588 6.494 7.549 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.798 7.454 9.391 1.00 0.00 C ATOM 0 H ILE B 55 -0.527 5.912 11.173 1.00 0.00 H new ATOM 0 HA ILE B 55 0.793 6.697 8.672 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.267 8.359 8.466 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.373 6.098 10.171 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.157 7.757 10.692 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.548 6.792 7.127 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.801 6.659 6.813 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.621 5.437 7.814 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.487 7.284 10.218 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.852 8.498 9.082 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.072 6.813 8.553 1.00 0.00 H new ATOM 1599 N SER B 56 1.446 8.896 9.784 1.00 0.00 N ATOM 1600 CA SER B 56 1.805 10.077 10.531 1.00 0.00 C ATOM 1601 C SER B 56 0.612 10.996 10.356 1.00 0.00 C ATOM 1602 O SER B 56 0.339 11.457 9.223 1.00 0.00 O ATOM 1603 CB SER B 56 3.129 10.696 10.067 1.00 0.00 C ATOM 1604 OG SER B 56 2.955 11.555 8.968 1.00 0.00 O ATOM 0 H SER B 56 1.975 8.735 8.927 1.00 0.00 H new ATOM 0 HA SER B 56 1.999 9.862 11.582 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.578 11.249 10.891 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.826 9.902 9.799 1.00 0.00 H new ATOM 0 HG SER B 56 3.648 12.248 8.981 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.144 11.169 11.473 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.407 11.909 11.541 1.00 0.00 C ATOM 1612 C PRO B 57 -1.333 13.340 11.032 1.00 0.00 C ATOM 1613 O PRO B 57 -0.254 13.895 10.802 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.748 11.936 13.038 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.488 11.584 13.732 1.00 0.00 C ATOM 1616 CD PRO B 57 0.235 10.676 12.804 1.00 0.00 C ATOM 0 HA PRO B 57 -2.146 11.422 10.904 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.103 12.920 13.343 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.539 11.224 13.274 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.102 12.474 13.950 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.688 11.094 14.685 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.313 10.722 12.957 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.063 9.637 12.947 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.504 13.925 10.861 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.621 15.297 10.422 1.00 0.00 C ATOM 1626 C GLU B 58 -2.080 16.200 11.523 1.00 0.00 C ATOM 1627 O GLU B 58 -2.277 15.933 12.707 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.080 15.660 10.079 1.00 0.00 C ATOM 1629 CG GLU B 58 -5.113 14.587 10.423 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.971 13.324 9.588 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.489 12.308 10.134 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -5.304 13.347 8.391 1.00 0.00 O ATOM 0 H GLU B 58 -3.398 13.461 11.023 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.042 15.435 9.509 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.343 16.578 10.605 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.144 15.875 9.012 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.021 14.329 11.478 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.113 14.997 10.282 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.414 17.264 11.131 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.815 18.157 12.098 1.00 0.00 C ATOM 1641 C GLY B 59 0.690 18.113 11.982 1.00 0.00 C ATOM 1642 O GLY B 59 1.372 19.109 12.228 1.00 0.00 O ATOM 0 H GLY B 59 -1.274 17.531 10.156 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.171 19.174 11.934 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.118 17.871 13.105 1.00 0.00 H new ATOM 1646 N LYS B 60 1.210 16.944 11.611 1.00 0.00 N ATOM 1647 CA LYS B 60 2.638 16.784 11.392 1.00 0.00 C ATOM 1648 C LYS B 60 3.034 17.615 10.180 1.00 0.00 C ATOM 1649 O LYS B 60 2.208 17.866 9.301 1.00 0.00 O ATOM 1650 CB LYS B 60 3.008 15.318 11.125 1.00 0.00 C ATOM 1651 CG LYS B 60 3.375 14.492 12.354 1.00 0.00 C ATOM 1652 CD LYS B 60 4.173 13.267 11.933 1.00 0.00 C ATOM 1653 CE LYS B 60 5.126 12.784 13.010 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.045 13.843 13.495 1.00 0.00 N ATOM 0 H LYS B 60 0.661 16.098 11.457 1.00 0.00 H new ATOM 0 HA LYS B 60 3.165 17.111 12.289 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.168 14.836 10.624 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.848 15.296 10.431 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.959 15.096 13.048 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.471 14.185 12.880 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.485 12.462 11.676 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.740 13.501 11.032 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.549 12.400 13.851 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.713 11.953 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.027 13.578 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 5.817 14.743 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.937 13.952 14.524 1.00 0.00 H new ATOM 1668 N ALA B 61 4.286 18.033 10.120 1.00 0.00 N ATOM 1669 CA ALA B 61 4.755 18.826 8.992 1.00 0.00 C ATOM 1670 C ALA B 61 4.916 17.944 7.763 1.00 0.00 C ATOM 1671 O ALA B 61 5.035 18.433 6.642 1.00 0.00 O ATOM 1672 CB ALA B 61 6.068 19.516 9.332 1.00 0.00 C ATOM 0 H ALA B 61 4.992 17.840 10.830 1.00 0.00 H new ATOM 0 HA ALA B 61 4.014 19.595 8.774 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.402 20.104 8.477 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.922 20.173 10.189 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.821 18.766 9.574 1.00 0.00 H new ATOM 1678 N LYS B 62 4.909 16.637 7.992 1.00 0.00 N ATOM 1679 CA LYS B 62 5.054 15.669 6.922 1.00 0.00 C ATOM 1680 C LYS B 62 4.072 14.516 7.112 1.00 0.00 C ATOM 1681 O LYS B 62 4.179 13.753 8.072 1.00 0.00 O ATOM 1682 CB LYS B 62 6.495 15.149 6.887 1.00 0.00 C ATOM 1683 CG LYS B 62 7.508 16.213 6.484 1.00 0.00 C ATOM 1684 CD LYS B 62 8.715 16.226 7.406 1.00 0.00 C ATOM 1685 CE LYS B 62 9.642 15.054 7.132 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.632 14.871 8.223 1.00 0.00 N ATOM 0 H LYS B 62 4.803 16.224 8.919 1.00 0.00 H new ATOM 0 HA LYS B 62 4.831 16.153 5.971 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.758 14.760 7.871 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.556 14.315 6.188 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.836 16.033 5.460 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.030 17.193 6.498 1.00 0.00 H new ATOM 0 HD2 LYS B 62 9.261 17.160 7.277 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.381 16.192 8.443 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.054 14.144 7.018 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.165 15.216 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.247 14.062 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.210 15.731 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.133 14.691 9.118 1.00 0.00 H new ATOM 1700 N ILE B 63 3.104 14.421 6.208 1.00 0.00 N ATOM 1701 CA ILE B 63 2.093 13.365 6.250 1.00 0.00 C ATOM 1702 C ILE B 63 2.690 12.076 5.702 1.00 0.00 C ATOM 1703 O ILE B 63 3.136 12.041 4.552 1.00 0.00 O ATOM 1704 CB ILE B 63 0.853 13.773 5.429 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.307 15.106 5.940 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.220 12.700 5.493 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.143 16.146 4.855 1.00 0.00 C ATOM 0 H ILE B 63 2.996 15.069 5.428 1.00 0.00 H new ATOM 0 HA ILE B 63 1.780 13.208 7.282 1.00 0.00 H new ATOM 0 HB ILE B 63 1.151 13.886 4.387 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.658 14.935 6.418 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.978 15.495 6.706 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.083 13.013 4.906 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.174 11.767 5.090 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.522 12.549 6.529 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.248 17.066 5.289 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.110 16.345 4.393 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.551 15.777 4.100 1.00 0.00 H new ATOM 1719 N GLN B 64 2.705 11.009 6.502 1.00 0.00 N ATOM 1720 CA GLN B 64 3.339 9.770 6.041 1.00 0.00 C ATOM 1721 C GLN B 64 2.571 8.514 6.422 1.00 0.00 C ATOM 1722 O GLN B 64 1.609 8.558 7.182 1.00 0.00 O ATOM 1723 CB GLN B 64 4.760 9.664 6.614 1.00 0.00 C ATOM 1724 CG GLN B 64 5.599 10.922 6.460 1.00 0.00 C ATOM 1725 CD GLN B 64 7.053 10.709 6.832 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.549 9.501 6.618 1.00 0.00 O flip ATOM 1727 NE2 GLN B 64 7.729 11.627 7.292 1.00 0.00 N flip ATOM 0 H GLN B 64 2.302 10.973 7.438 1.00 0.00 H new ATOM 0 HA GLN B 64 3.353 9.828 4.953 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.693 9.415 7.673 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.275 8.837 6.124 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.540 11.268 5.428 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.181 11.711 7.085 1.00 0.00 H new ATOM 0 HE21 GLN B 64 7.309 12.544 7.442 1.00 0.00 H new ATOM 0 HE22 GLN B 64 8.710 11.471 7.523 1.00 0.00 H new ATOM 1736 N LEU B 65 2.994 7.396 5.843 1.00 0.00 N ATOM 1737 CA LEU B 65 2.415 6.094 6.133 1.00 0.00 C ATOM 1738 C LEU B 65 3.510 5.167 6.657 1.00 0.00 C ATOM 1739 O LEU B 65 4.661 5.261 6.233 1.00 0.00 O ATOM 1740 CB LEU B 65 1.790 5.477 4.884 1.00 0.00 C ATOM 1741 CG LEU B 65 1.017 4.175 5.132 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.442 4.449 5.422 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.148 3.231 3.962 1.00 0.00 C ATOM 0 H LEU B 65 3.750 7.369 5.158 1.00 0.00 H new ATOM 0 HA LEU B 65 1.632 6.222 6.881 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.115 6.205 4.434 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.579 5.283 4.157 1.00 0.00 H new ATOM 0 HG LEU B 65 1.457 3.700 6.009 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.962 3.507 5.593 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.525 5.076 6.310 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.892 4.962 4.572 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.590 2.318 4.167 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.750 3.706 3.065 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.199 2.987 3.807 1.00 0.00 H new ATOM 1755 N GLN B 66 3.151 4.295 7.584 1.00 0.00 N ATOM 1756 CA GLN B 66 4.090 3.351 8.164 1.00 0.00 C ATOM 1757 C GLN B 66 3.570 1.925 8.032 1.00 0.00 C ATOM 1758 O GLN B 66 2.427 1.639 8.384 1.00 0.00 O ATOM 1759 CB GLN B 66 4.301 3.684 9.636 1.00 0.00 C ATOM 1760 CG GLN B 66 5.357 2.830 10.317 1.00 0.00 C ATOM 1761 CD GLN B 66 5.712 3.339 11.698 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.732 4.177 11.770 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.076 2.980 12.690 1.00 0.00 N flip ATOM 0 H GLN B 66 2.203 4.222 7.954 1.00 0.00 H new ATOM 0 HA GLN B 66 5.037 3.426 7.629 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.584 4.733 9.724 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.355 3.564 10.164 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.997 1.804 10.393 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.255 2.807 9.700 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.295 2.331 12.588 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.330 3.331 13.613 1.00 0.00 H new ATOM 1772 N LEU B 67 4.403 1.043 7.509 1.00 0.00 N ATOM 1773 CA LEU B 67 4.033 -0.354 7.353 1.00 0.00 C ATOM 1774 C LEU B 67 4.654 -1.198 8.450 1.00 0.00 C ATOM 1775 O LEU B 67 5.867 -1.376 8.479 1.00 0.00 O ATOM 1776 CB LEU B 67 4.497 -0.889 6.000 1.00 0.00 C ATOM 1777 CG LEU B 67 3.735 -0.363 4.791 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.207 -1.072 3.534 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.239 -0.554 4.982 1.00 0.00 C ATOM 0 H LEU B 67 5.343 1.269 7.184 1.00 0.00 H new ATOM 0 HA LEU B 67 2.947 -0.415 7.415 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.553 -0.647 5.876 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.418 -1.976 6.012 1.00 0.00 H new ATOM 0 HG LEU B 67 3.932 0.704 4.687 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.658 -0.691 2.673 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.273 -0.892 3.393 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.030 -2.143 3.632 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.709 -0.173 4.109 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.020 -1.615 5.105 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.913 -0.012 5.870 1.00 0.00 H new ATOM 1791 N VAL B 68 3.833 -1.709 9.355 1.00 0.00 N ATOM 1792 CA VAL B 68 4.337 -2.554 10.421 1.00 0.00 C ATOM 1793 C VAL B 68 4.220 -4.007 10.004 1.00 0.00 C ATOM 1794 O VAL B 68 3.123 -4.567 9.945 1.00 0.00 O ATOM 1795 CB VAL B 68 3.605 -2.329 11.760 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.026 -3.368 12.789 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.896 -0.940 12.283 1.00 0.00 C ATOM 0 H VAL B 68 2.825 -1.554 9.371 1.00 0.00 H new ATOM 0 HA VAL B 68 5.381 -2.287 10.586 1.00 0.00 H new ATOM 0 HB VAL B 68 2.534 -2.431 11.585 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.497 -3.189 13.725 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.783 -4.365 12.420 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.100 -3.296 12.960 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.375 -0.791 13.229 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.969 -0.827 12.438 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.554 -0.200 11.560 1.00 0.00 H new ATOM 1807 N LEU B 69 5.354 -4.609 9.704 1.00 0.00 N ATOM 1808 CA LEU B 69 5.391 -5.986 9.264 1.00 0.00 C ATOM 1809 C LEU B 69 5.051 -6.936 10.414 1.00 0.00 C ATOM 1810 O LEU B 69 4.863 -6.506 11.557 1.00 0.00 O ATOM 1811 CB LEU B 69 6.746 -6.320 8.650 1.00 0.00 C ATOM 1812 CG LEU B 69 7.172 -5.447 7.462 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.047 -6.249 6.524 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.982 -4.867 6.716 1.00 0.00 C ATOM 0 H LEU B 69 6.268 -4.160 9.758 1.00 0.00 H new ATOM 0 HA LEU B 69 4.633 -6.119 8.492 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.506 -6.240 9.427 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.731 -7.360 8.325 1.00 0.00 H new ATOM 0 HG LEU B 69 7.739 -4.604 7.858 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.346 -5.624 5.682 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.935 -6.590 7.057 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.491 -7.111 6.156 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.336 -4.257 5.885 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.362 -5.678 6.333 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.393 -4.249 7.394 1.00 0.00 H new ATOM 1826 N HIS B 70 4.971 -8.225 10.113 1.00 0.00 N ATOM 1827 CA HIS B 70 4.606 -9.235 11.107 1.00 0.00 C ATOM 1828 C HIS B 70 5.542 -9.277 12.314 1.00 0.00 C ATOM 1829 O HIS B 70 5.073 -9.256 13.454 1.00 0.00 O ATOM 1830 CB HIS B 70 4.518 -10.614 10.457 1.00 0.00 C ATOM 1831 CG HIS B 70 3.310 -10.769 9.588 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.084 -10.205 9.871 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.159 -11.414 8.407 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.251 -10.513 8.871 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.852 -11.246 7.962 1.00 0.00 N ATOM 0 H HIS B 70 5.155 -8.601 9.183 1.00 0.00 H new ATOM 0 HA HIS B 70 3.628 -8.943 11.490 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.414 -10.787 9.861 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.501 -11.377 11.235 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.930 -11.970 7.893 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.219 -10.200 8.818 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.443 -11.617 7.104 1.00 0.00 H new ATOM 1843 N ALA B 71 6.848 -9.301 12.079 1.00 0.00 N ATOM 1844 CA ALA B 71 7.818 -9.375 13.173 1.00 0.00 C ATOM 1845 C ALA B 71 7.868 -8.079 13.979 1.00 0.00 C ATOM 1846 O ALA B 71 8.273 -8.073 15.140 1.00 0.00 O ATOM 1847 CB ALA B 71 9.198 -9.717 12.631 1.00 0.00 C ATOM 0 H ALA B 71 7.262 -9.271 11.147 1.00 0.00 H new ATOM 0 HA ALA B 71 7.493 -10.166 13.848 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.910 -9.769 13.455 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.161 -10.680 12.122 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.513 -8.947 11.927 1.00 0.00 H new ATOM 1853 N GLY B 72 7.423 -6.994 13.370 1.00 0.00 N ATOM 1854 CA GLY B 72 7.442 -5.705 14.035 1.00 0.00 C ATOM 1855 C GLY B 72 8.302 -4.729 13.273 1.00 0.00 C ATOM 1856 O GLY B 72 8.749 -3.714 13.804 1.00 0.00 O ATOM 0 H GLY B 72 7.046 -6.980 12.422 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.427 -5.317 14.117 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.823 -5.819 15.050 1.00 0.00 H new ATOM 1860 N ASP B 73 8.506 -5.060 12.014 1.00 0.00 N ATOM 1861 CA ASP B 73 9.306 -4.272 11.098 1.00 0.00 C ATOM 1862 C ASP B 73 8.492 -3.072 10.669 1.00 0.00 C ATOM 1863 O ASP B 73 7.267 -3.120 10.715 1.00 0.00 O ATOM 1864 CB ASP B 73 9.667 -5.122 9.873 1.00 0.00 C ATOM 1865 CG ASP B 73 9.859 -6.591 10.209 1.00 0.00 C ATOM 1866 OD1 ASP B 73 11.007 -7.071 10.145 1.00 0.00 O ATOM 1867 OD2 ASP B 73 8.850 -7.269 10.540 1.00 0.00 O ATOM 0 H ASP B 73 8.113 -5.901 11.591 1.00 0.00 H new ATOM 0 HA ASP B 73 10.226 -3.945 11.582 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.880 -5.025 9.125 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.582 -4.734 9.425 1.00 0.00 H new ATOM 1872 N THR B 74 9.136 -2.000 10.257 1.00 0.00 N ATOM 1873 CA THR B 74 8.390 -0.825 9.850 1.00 0.00 C ATOM 1874 C THR B 74 9.008 -0.134 8.643 1.00 0.00 C ATOM 1875 O THR B 74 10.211 0.135 8.609 1.00 0.00 O ATOM 1876 CB THR B 74 8.283 0.194 11.004 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.570 0.386 11.605 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.293 -0.263 12.065 1.00 0.00 C ATOM 0 H THR B 74 10.151 -1.916 10.195 1.00 0.00 H new ATOM 0 HA THR B 74 7.397 -1.180 9.575 1.00 0.00 H new ATOM 0 HB THR B 74 7.923 1.134 10.585 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.269 0.253 10.931 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.244 0.480 12.861 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.306 -0.379 11.616 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.618 -1.218 12.479 1.00 0.00 H new ATOM 1886 N THR B 75 8.170 0.147 7.661 1.00 0.00 N ATOM 1887 CA THR B 75 8.589 0.841 6.459 1.00 0.00 C ATOM 1888 C THR B 75 7.888 2.194 6.395 1.00 0.00 C ATOM 1889 O THR B 75 6.658 2.259 6.382 1.00 0.00 O ATOM 1890 CB THR B 75 8.258 0.023 5.196 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.322 -1.380 5.492 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.232 0.353 4.074 1.00 0.00 C ATOM 0 H THR B 75 7.180 -0.100 7.676 1.00 0.00 H new ATOM 0 HA THR B 75 9.670 0.978 6.496 1.00 0.00 H new ATOM 0 HB THR B 75 7.250 0.281 4.872 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.783 -1.847 4.764 1.00 0.00 H new ATOM 0 HG21 THR B 75 8.982 -0.235 3.191 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.165 1.414 3.835 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.247 0.116 4.392 1.00 0.00 H new ATOM 1900 N ASN B 76 8.667 3.264 6.375 1.00 0.00 N ATOM 1901 CA ASN B 76 8.114 4.614 6.342 1.00 0.00 C ATOM 1902 C ASN B 76 8.070 5.174 4.931 1.00 0.00 C ATOM 1903 O ASN B 76 9.003 4.992 4.150 1.00 0.00 O ATOM 1904 CB ASN B 76 8.927 5.547 7.240 1.00 0.00 C ATOM 1905 CG ASN B 76 8.404 5.599 8.660 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.735 6.662 9.371 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.720 4.687 9.122 1.00 0.00 N flip ATOM 0 H ASN B 76 9.686 3.226 6.381 1.00 0.00 H new ATOM 0 HA ASN B 76 7.091 4.552 6.712 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.966 5.217 7.252 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.916 6.551 6.817 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.485 3.882 8.542 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.388 4.736 10.085 1.00 0.00 H new ATOM 1914 N PHE B 77 6.968 5.837 4.611 1.00 0.00 N ATOM 1915 CA PHE B 77 6.785 6.453 3.306 1.00 0.00 C ATOM 1916 C PHE B 77 6.280 7.880 3.471 1.00 0.00 C ATOM 1917 O PHE B 77 5.139 8.098 3.887 1.00 0.00 O ATOM 1918 CB PHE B 77 5.797 5.649 2.459 1.00 0.00 C ATOM 1919 CG PHE B 77 6.310 4.301 2.054 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.408 4.189 1.218 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.699 3.147 2.514 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.885 2.949 0.846 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.172 1.905 2.145 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.267 1.806 1.310 1.00 0.00 C ATOM 0 H PHE B 77 6.179 5.962 5.246 1.00 0.00 H new ATOM 0 HA PHE B 77 7.748 6.466 2.795 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.871 5.522 3.019 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.552 6.219 1.563 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.896 5.081 0.854 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.843 3.220 3.169 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.741 2.873 0.192 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.687 1.011 2.509 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.640 0.835 1.020 1.00 0.00 H new ATOM 1934 N HIS B 78 7.135 8.843 3.167 1.00 0.00 N ATOM 1935 CA HIS B 78 6.778 10.250 3.278 1.00 0.00 C ATOM 1936 C HIS B 78 6.112 10.739 1.997 1.00 0.00 C ATOM 1937 O HIS B 78 6.714 10.713 0.923 1.00 0.00 O ATOM 1938 CB HIS B 78 8.031 11.092 3.583 1.00 0.00 C ATOM 1939 CG HIS B 78 7.803 12.581 3.590 1.00 0.00 C ATOM 1940 ND1 HIS B 78 6.649 13.295 3.676 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 8.811 13.512 3.475 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 6.944 14.651 3.606 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.254 14.728 3.486 1.00 0.00 N flip ATOM 0 H HIS B 78 8.086 8.676 2.840 1.00 0.00 H new ATOM 0 HA HIS B 78 6.069 10.363 4.098 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.425 10.794 4.555 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.797 10.859 2.844 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.866 13.298 3.391 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.244 15.473 3.642 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.775 15.601 3.411 1.00 0.00 H new ATOM 1951 N PHE B 79 4.870 11.183 2.117 1.00 0.00 N ATOM 1952 CA PHE B 79 4.136 11.707 0.979 1.00 0.00 C ATOM 1953 C PHE B 79 4.516 13.169 0.783 1.00 0.00 C ATOM 1954 O PHE B 79 3.777 14.078 1.157 1.00 0.00 O ATOM 1955 CB PHE B 79 2.628 11.565 1.195 1.00 0.00 C ATOM 1956 CG PHE B 79 2.164 10.137 1.266 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.170 9.450 2.469 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.720 9.484 0.129 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.742 8.140 2.537 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.292 8.172 0.190 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.303 7.499 1.396 1.00 0.00 C ATOM 0 H PHE B 79 4.350 11.190 2.994 1.00 0.00 H new ATOM 0 HA PHE B 79 4.395 11.139 0.085 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.352 12.075 2.118 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.104 12.069 0.383 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.514 9.946 3.365 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.708 10.006 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.750 7.617 3.482 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.949 7.673 -0.704 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.969 6.473 1.446 1.00 0.00 H new ATOM 1971 N SER B 80 5.686 13.374 0.202 1.00 0.00 N ATOM 1972 CA SER B 80 6.232 14.702 -0.031 1.00 0.00 C ATOM 1973 C SER B 80 5.586 15.420 -1.217 1.00 0.00 C ATOM 1974 O SER B 80 6.147 16.378 -1.748 1.00 0.00 O ATOM 1975 CB SER B 80 7.734 14.572 -0.257 1.00 0.00 C ATOM 1976 OG SER B 80 8.041 13.315 -0.836 1.00 0.00 O ATOM 0 H SER B 80 6.289 12.618 -0.124 1.00 0.00 H new ATOM 0 HA SER B 80 6.016 15.310 0.847 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.081 15.374 -0.909 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.261 14.681 0.691 1.00 0.00 H new ATOM 0 HG SER B 80 7.447 13.152 -1.599 1.00 0.00 H new ATOM 1982 N ASN B 81 4.419 14.961 -1.636 1.00 0.00 N ATOM 1983 CA ASN B 81 3.724 15.587 -2.749 1.00 0.00 C ATOM 1984 C ASN B 81 2.785 16.666 -2.228 1.00 0.00 C ATOM 1985 O ASN B 81 1.707 16.376 -1.724 1.00 0.00 O ATOM 1986 CB ASN B 81 2.954 14.550 -3.562 1.00 0.00 C ATOM 1987 CG ASN B 81 2.469 15.108 -4.885 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.929 16.155 -5.341 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.547 14.406 -5.515 1.00 0.00 N ATOM 0 H ASN B 81 3.935 14.162 -1.226 1.00 0.00 H new ATOM 0 HA ASN B 81 4.461 16.047 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.593 13.687 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.100 14.197 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.189 14.726 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.192 13.543 -5.102 1.00 0.00 H new ATOM 1996 N GLU B 82 3.203 17.913 -2.369 1.00 0.00 N ATOM 1997 CA GLU B 82 2.440 19.064 -1.891 1.00 0.00 C ATOM 1998 C GLU B 82 1.053 19.148 -2.533 1.00 0.00 C ATOM 1999 O GLU B 82 0.147 19.783 -1.994 1.00 0.00 O ATOM 2000 CB GLU B 82 3.219 20.356 -2.171 1.00 0.00 C ATOM 2001 CG GLU B 82 4.635 20.370 -1.599 1.00 0.00 C ATOM 2002 CD GLU B 82 5.656 19.693 -2.503 1.00 0.00 C ATOM 2003 OE1 GLU B 82 6.862 19.718 -2.176 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.259 19.117 -3.542 1.00 0.00 O ATOM 0 H GLU B 82 4.084 18.161 -2.819 1.00 0.00 H new ATOM 0 HA GLU B 82 2.297 18.938 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.273 20.508 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.664 21.198 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.940 21.402 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.633 19.873 -0.629 1.00 0.00 H new ATOM 2011 N SER B 83 0.882 18.495 -3.673 1.00 0.00 N ATOM 2012 CA SER B 83 -0.387 18.526 -4.379 1.00 0.00 C ATOM 2013 C SER B 83 -1.416 17.556 -3.786 1.00 0.00 C ATOM 2014 O SER B 83 -2.563 17.939 -3.513 1.00 0.00 O ATOM 2015 CB SER B 83 -0.157 18.208 -5.856 1.00 0.00 C ATOM 2016 OG SER B 83 0.877 19.017 -6.388 1.00 0.00 O ATOM 0 H SER B 83 1.606 17.938 -4.127 1.00 0.00 H new ATOM 0 HA SER B 83 -0.798 19.530 -4.270 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.103 17.156 -5.970 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.078 18.372 -6.416 1.00 0.00 H new ATOM 0 HG SER B 83 1.010 18.797 -7.334 1.00 0.00 H new ATOM 2022 N THR B 84 -1.022 16.309 -3.575 1.00 0.00 N ATOM 2023 CA THR B 84 -1.947 15.309 -3.060 1.00 0.00 C ATOM 2024 C THR B 84 -1.374 14.492 -1.897 1.00 0.00 C ATOM 2025 O THR B 84 -1.694 13.323 -1.767 1.00 0.00 O ATOM 2026 CB THR B 84 -2.354 14.352 -4.200 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.286 14.254 -5.144 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.604 14.837 -4.917 1.00 0.00 C ATOM 0 H THR B 84 -0.077 15.967 -3.750 1.00 0.00 H new ATOM 0 HA THR B 84 -2.811 15.850 -2.673 1.00 0.00 H new ATOM 0 HB THR B 84 -2.566 13.378 -3.760 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.690 13.519 -4.889 1.00 0.00 H new ATOM 0 HG21 THR B 84 -3.861 14.138 -5.713 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.430 14.898 -4.208 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.419 15.822 -5.345 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.587 15.119 -1.024 1.00 0.00 N ATOM 2037 CA ALA B 85 0.033 14.415 0.109 1.00 0.00 C ATOM 2038 C ALA B 85 -0.989 13.638 0.933 1.00 0.00 C ATOM 2039 O ALA B 85 -0.986 12.410 0.949 1.00 0.00 O ATOM 2040 CB ALA B 85 0.773 15.392 1.009 1.00 0.00 C ATOM 0 H ALA B 85 -0.361 16.112 -1.075 1.00 0.00 H new ATOM 0 HA ALA B 85 0.739 13.700 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.224 14.851 1.841 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.553 15.894 0.437 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.073 16.133 1.395 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.855 14.371 1.616 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.893 13.775 2.448 1.00 0.00 C ATOM 2048 C VAL B 86 -3.792 12.848 1.628 1.00 0.00 C ATOM 2049 O VAL B 86 -4.121 11.741 2.051 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.762 14.877 3.091 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.938 14.283 3.847 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.939 15.748 4.018 1.00 0.00 C ATOM 0 H VAL B 86 -1.860 15.391 1.611 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.399 13.193 3.226 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.150 15.496 2.282 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.530 15.085 4.288 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.560 13.709 3.160 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.570 13.628 4.637 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.576 16.516 4.457 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.512 15.134 4.811 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.136 16.222 3.454 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.139 13.305 0.434 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.020 12.563 -0.464 1.00 0.00 C ATOM 2064 C LYS B 87 -4.428 11.206 -0.858 1.00 0.00 C ATOM 2065 O LYS B 87 -5.102 10.182 -0.764 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.315 13.414 -1.704 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.853 14.800 -1.363 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.609 15.797 -2.486 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.797 17.233 -2.018 1.00 0.00 C ATOM 2070 NZ LYS B 87 -5.258 18.215 -3.003 1.00 0.00 N ATOM 0 H LYS B 87 -3.820 14.198 0.058 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.951 12.356 0.063 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.403 13.519 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.039 12.894 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.922 14.735 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -5.378 15.159 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.597 15.670 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.292 15.591 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.858 17.426 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.298 17.370 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.466 19.181 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.229 18.092 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.703 18.057 -3.930 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.170 11.198 -1.288 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.507 9.959 -1.680 1.00 0.00 C ATOM 2086 C GLU B 88 -2.242 9.098 -0.454 1.00 0.00 C ATOM 2087 O GLU B 88 -2.324 7.870 -0.515 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.199 10.254 -2.418 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.405 10.937 -3.760 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.106 11.377 -4.406 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.457 10.608 -5.209 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.344 12.507 -4.124 1.00 0.00 O ATOM 0 H GLU B 88 -2.591 12.033 -1.374 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.164 9.414 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.570 10.885 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.659 9.320 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.926 10.255 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.049 11.806 -3.624 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.935 9.752 0.663 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.678 9.057 1.918 1.00 0.00 C ATOM 2101 C ARG B 89 -2.882 8.211 2.301 1.00 0.00 C ATOM 2102 O ARG B 89 -2.754 7.022 2.587 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.368 10.064 3.034 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.192 9.435 4.412 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.434 9.618 5.273 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.118 10.182 6.585 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.973 10.902 7.319 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -4.204 11.155 6.884 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.594 11.377 8.496 1.00 0.00 N ATOM 0 H ARG B 89 -1.858 10.767 0.723 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.814 8.406 1.785 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.459 10.607 2.776 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.174 10.796 3.081 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.977 8.372 4.303 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.333 9.884 4.911 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.138 10.272 4.758 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.929 8.656 5.403 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.186 10.015 6.964 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.508 10.798 5.978 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.844 11.706 7.456 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.652 11.193 8.841 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.244 11.926 9.058 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.046 8.839 2.285 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.292 8.171 2.631 1.00 0.00 C ATOM 2125 C ASP B 90 -5.673 7.133 1.584 1.00 0.00 C ATOM 2126 O ASP B 90 -6.282 6.120 1.910 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.411 9.193 2.813 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.495 9.672 4.247 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -5.488 10.204 4.758 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -7.554 9.480 4.877 1.00 0.00 O ATOM 0 H ASP B 90 -4.155 9.821 2.033 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.143 7.647 3.575 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.240 10.044 2.153 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.362 8.749 2.520 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.299 7.375 0.327 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.593 6.434 -0.744 1.00 0.00 C ATOM 2137 C ALA B 91 -4.865 5.119 -0.494 1.00 0.00 C ATOM 2138 O ALA B 91 -5.440 4.041 -0.632 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.197 7.018 -2.093 1.00 0.00 C ATOM 0 H ALA B 91 -4.795 8.211 0.031 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.666 6.243 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.424 6.300 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.754 7.938 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.129 7.234 -2.096 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.597 5.220 -0.107 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.790 4.042 0.184 1.00 0.00 C ATOM 2147 C VAL B 92 -3.239 3.440 1.504 1.00 0.00 C ATOM 2148 O VAL B 92 -3.267 2.230 1.681 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.285 4.388 0.290 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.450 3.133 0.493 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.812 5.148 -0.937 1.00 0.00 C ATOM 0 H VAL B 92 -3.107 6.107 0.012 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.926 3.336 -0.635 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.154 5.031 1.161 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.603 3.404 0.564 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.759 2.635 1.412 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.595 2.459 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.249 5.378 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.968 4.537 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.377 6.075 -1.031 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.624 4.321 2.406 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.063 3.951 3.735 1.00 0.00 C ATOM 2163 C LYS B 93 -5.349 3.132 3.692 1.00 0.00 C ATOM 2164 O LYS B 93 -5.395 2.020 4.209 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.240 5.235 4.550 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.300 5.183 5.633 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.444 6.538 6.300 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.820 6.725 6.911 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.838 7.141 5.908 1.00 0.00 N ATOM 0 H LYS B 93 -3.641 5.326 2.233 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.315 3.315 4.208 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.285 5.485 5.013 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.485 6.047 3.866 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.254 4.880 5.202 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.033 4.432 6.376 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.685 6.643 7.075 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.262 7.324 5.567 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.136 5.793 7.379 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.765 7.475 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.788 7.059 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.666 8.128 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.772 6.527 5.071 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.370 3.677 3.048 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.665 3.013 2.938 1.00 0.00 C ATOM 2185 C ASP B 94 -7.589 1.741 2.106 1.00 0.00 C ATOM 2186 O ASP B 94 -8.282 0.760 2.387 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.700 3.969 2.348 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.436 4.752 3.418 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.684 4.664 3.468 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.774 5.420 4.236 1.00 0.00 O ATOM 0 H ASP B 94 -6.328 4.587 2.589 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.970 2.726 3.944 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.205 4.663 1.669 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.419 3.402 1.756 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.730 1.750 1.103 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.572 0.592 0.234 1.00 0.00 C ATOM 2197 C LEU B 95 -5.766 -0.485 0.942 1.00 0.00 C ATOM 2198 O LEU B 95 -5.947 -1.673 0.685 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.902 0.984 -1.084 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.151 0.024 -2.249 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.643 -0.102 -2.528 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.414 0.493 -3.494 1.00 0.00 C ATOM 0 H LEU B 95 -6.132 2.542 0.868 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.561 0.197 0.003 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.251 1.976 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.827 1.059 -0.919 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.768 -0.958 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.801 -0.789 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.148 -0.484 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.049 0.877 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.603 -0.202 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.766 1.486 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.344 0.532 -3.290 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.877 -0.073 1.837 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.085 -1.027 2.587 1.00 0.00 C ATOM 2216 C LEU B 96 -4.992 -1.810 3.516 1.00 0.00 C ATOM 2217 O LEU B 96 -5.071 -3.018 3.397 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.964 -0.345 3.354 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.655 -0.224 2.578 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.630 0.537 3.388 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.120 -1.597 2.209 1.00 0.00 C ATOM 0 H LEU B 96 -4.691 0.906 2.057 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.610 -1.715 1.888 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.293 0.652 3.646 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.778 -0.901 4.273 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.853 0.327 1.658 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.297 0.614 2.821 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.007 1.536 3.605 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.440 0.010 4.323 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.187 -1.487 1.657 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.939 -2.173 3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.850 -2.117 1.589 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.675 -1.128 4.445 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.636 -1.800 5.330 1.00 0.00 C ATOM 2235 C GLN B 97 -7.540 -2.727 4.523 1.00 0.00 C ATOM 2236 O GLN B 97 -7.970 -3.776 4.994 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.474 -0.771 6.093 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.665 0.530 5.359 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.957 1.691 6.286 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.604 2.662 5.904 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.502 1.596 7.512 1.00 0.00 N ATOM 0 H GLN B 97 -5.582 -0.125 4.602 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.081 -2.397 6.054 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.452 -1.202 6.308 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -6.997 -0.569 7.052 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.768 0.750 4.780 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.485 0.424 4.648 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.968 0.775 7.796 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.682 2.343 8.182 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.845 -2.307 3.312 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.645 -3.091 2.393 1.00 0.00 C ATOM 2252 C GLN B 98 -7.953 -4.375 1.926 1.00 0.00 C ATOM 2253 O GLN B 98 -8.502 -5.468 2.059 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.976 -2.235 1.180 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.275 -1.495 1.320 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.394 -2.262 0.672 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.747 -2.011 -0.473 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.932 -3.228 1.394 1.00 0.00 N ATOM 0 H GLN B 98 -7.544 -1.408 2.936 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.545 -3.395 2.928 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.171 -1.518 1.018 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.020 -2.870 0.295 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.498 -1.338 2.375 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.189 -0.510 0.862 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.603 -3.398 2.344 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.677 -3.804 1.001 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.751 -4.234 1.394 1.00 0.00 N ATOM 2268 CA LEU B 99 -6.018 -5.363 0.828 1.00 0.00 C ATOM 2269 C LEU B 99 -5.155 -6.144 1.829 1.00 0.00 C ATOM 2270 O LEU B 99 -4.977 -7.352 1.671 1.00 0.00 O ATOM 2271 CB LEU B 99 -5.145 -4.848 -0.308 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.924 -4.162 -1.424 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.988 -3.396 -2.345 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.747 -5.169 -2.211 1.00 0.00 C ATOM 0 H LEU B 99 -6.256 -3.344 1.340 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.767 -6.075 0.481 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.416 -4.146 0.097 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.585 -5.683 -0.729 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.610 -3.449 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.567 -2.915 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.454 -2.638 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.271 -4.086 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -7.293 -4.654 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -6.085 -5.914 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.454 -5.662 -1.544 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.637 -5.465 2.846 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.752 -6.081 3.844 1.00 0.00 C ATOM 2288 C LEU B 100 -4.286 -7.416 4.396 1.00 0.00 C ATOM 2289 O LEU B 100 -3.665 -8.454 4.173 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.435 -5.093 4.984 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.346 -4.067 4.648 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.182 -3.024 5.760 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.031 -4.778 4.387 1.00 0.00 C ATOM 0 H LEU B 100 -4.814 -4.474 3.007 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.826 -6.322 3.322 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.348 -4.561 5.252 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.126 -5.658 5.863 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.653 -3.534 3.748 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.401 -2.316 5.483 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.122 -2.491 5.900 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.906 -3.523 6.689 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.261 -4.044 4.149 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.737 -5.337 5.275 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.149 -5.465 3.549 1.00 0.00 H new