USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 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 14 LYS NZ :NH3+ -176:sc= 2.25 (180deg=0.986) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.63 K(o=5.1,f=-12!) USER MOD Set 1.3: B 83 SER OG : rot 180:sc= 0.1 USER MOD Set 1.4: B 84 THR OG1 : rot 71:sc= 1.09 USER MOD Set 2.1: B 66 GLN : amide:sc= 0.249 K(o=-4.9,f=-6) USER MOD Set 2.2: B 76 ASN : amide:sc= -5.12! C(o=-4.9!,f=-6.3!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ 143:sc= 0.73 (180deg=1.02) USER MOD Set 3.2: B 52 CYS SG : rot 173:sc= 0.148 USER MOD Set 4.1: B 45 HIS : no HE2:sc= -2.03! C(o=-0.73!,f=-4.8!) USER MOD Set 4.2: B 75 THR OG1 : rot -140:sc= 1.3 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -143:sc= 1 (180deg=-0.00995) USER MOD Set 5.2: B 25 TYR OH : rot 130:sc= 0.863 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 144:sc= 2.2 (180deg=-0.542) USER MOD Set 6.2: B 97 GLN : amide:sc= -7.29! C(o=-5.1!,f=-15!) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.0853 F(o=-1.4!,f=-0.085) USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.704) USER MOD Single : B 19 LYS NZ :NH3+ 157:sc= -0.185 (180deg=-0.796) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot -13:sc= 0.607 USER MOD Single : B 44 SER OG : rot 180:sc= 0.648 USER MOD Single : B 46 MET CE :methyl -160:sc= -0.194 (180deg=-0.703) USER MOD Single : B 47 TYR OH : rot -39:sc= 1.07 USER MOD Single : B 53 GLN : amide:sc= -2.87! C(o=-2.9!,f=-11!) USER MOD Single : B 54 LYS NZ :NH3+ 163:sc= 1.3 (180deg=0.389) USER MOD Single : B 56 SER OG : rot 134:sc= 0.538! USER MOD Single : B 60 LYS NZ :NH3+ -156:sc= -0.372 (180deg=-1.17!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -3.77! C(o=-3.8!,f=-5.9!) USER MOD Single : B 70 HIS : no HD1:sc= -0.145 K(o=-0.14,f=-0.66) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.0158 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.92 F(o=-3.5!,f=-1.9) USER MOD Single : B 80 SER OG : rot 42:sc= 1.06 USER MOD Single : B 87 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.06) USER MOD Single : B 93 LYS NZ :NH3+ 176:sc= 2.23 (180deg=1.98) USER MOD Single : B 98 GLN : amide:sc= -3.61! C(o=-3.6!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.181 9.117 11.878 1.00 0.00 N ATOM 230 CA ASP A 405 9.972 7.691 12.070 1.00 0.00 C ATOM 231 C ASP A 405 9.055 7.433 13.252 1.00 0.00 C ATOM 232 O ASP A 405 8.805 6.284 13.619 1.00 0.00 O ATOM 233 CB ASP A 405 11.314 6.972 12.266 1.00 0.00 C ATOM 234 CG ASP A 405 12.238 7.104 11.065 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.762 6.966 9.916 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.449 7.353 11.261 1.00 0.00 O ATOM 0 HA ASP A 405 9.493 7.295 11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.812 7.377 13.147 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.129 5.916 12.461 1.00 0.00 H new ATOM 241 N GLU A 406 8.529 8.504 13.818 1.00 0.00 N ATOM 242 CA GLU A 406 7.647 8.403 14.965 1.00 0.00 C ATOM 243 C GLU A 406 6.354 9.164 14.707 1.00 0.00 C ATOM 244 O GLU A 406 6.275 9.935 13.756 1.00 0.00 O ATOM 245 CB GLU A 406 8.367 8.956 16.205 1.00 0.00 C ATOM 246 CG GLU A 406 7.515 9.018 17.465 1.00 0.00 C ATOM 247 CD GLU A 406 7.077 7.648 17.952 1.00 0.00 C ATOM 248 OE1 GLU A 406 7.705 7.121 18.891 1.00 0.00 O ATOM 249 OE2 GLU A 406 6.094 7.105 17.393 1.00 0.00 O ATOM 0 H GLU A 406 8.699 9.458 13.500 1.00 0.00 H new ATOM 0 HA GLU A 406 7.391 7.358 15.138 1.00 0.00 H new ATOM 0 HB2 GLU A 406 9.242 8.338 16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.730 9.959 15.980 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.079 9.515 18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 406 6.633 9.628 17.271 1.00 0.00 H new ATOM 256 N ASP A 407 5.343 8.910 15.538 1.00 0.00 N ATOM 257 CA ASP A 407 4.058 9.565 15.453 1.00 0.00 C ATOM 258 C ASP A 407 3.318 9.166 14.191 1.00 0.00 C ATOM 259 O ASP A 407 3.152 9.953 13.264 1.00 0.00 O ATOM 260 CB ASP A 407 4.208 11.076 15.608 1.00 0.00 C ATOM 261 CG ASP A 407 2.887 11.813 15.676 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.867 11.190 16.034 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.882 13.029 15.380 1.00 0.00 O ATOM 0 H ASP A 407 5.405 8.232 16.297 1.00 0.00 H new ATOM 0 HA ASP A 407 3.440 9.227 16.284 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.778 11.285 16.513 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.788 11.463 14.770 1.00 0.00 H new ATOM 268 N PHE A 408 2.966 7.882 14.143 1.00 0.00 N ATOM 269 CA PHE A 408 2.182 7.313 13.065 1.00 0.00 C ATOM 270 C PHE A 408 1.021 6.593 13.698 1.00 0.00 C ATOM 271 O PHE A 408 1.196 5.730 14.564 1.00 0.00 O ATOM 272 CB PHE A 408 2.983 6.333 12.196 1.00 0.00 C ATOM 273 CG PHE A 408 4.033 6.974 11.344 1.00 0.00 C ATOM 274 CD1 PHE A 408 5.122 7.609 11.911 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.919 6.948 9.968 1.00 0.00 C ATOM 276 CE1 PHE A 408 6.072 8.208 11.119 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.868 7.542 9.172 1.00 0.00 C ATOM 278 CZ PHE A 408 5.943 8.175 9.750 1.00 0.00 C ATOM 0 H PHE A 408 3.223 7.206 14.862 1.00 0.00 H new ATOM 0 HA PHE A 408 1.859 8.115 12.402 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.459 5.597 12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.292 5.790 11.551 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.227 7.635 12.986 1.00 0.00 H new ATOM 0 HD2 PHE A 408 3.073 6.455 9.512 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.918 8.704 11.571 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.770 7.512 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.688 8.648 9.127 1.00 0.00 H new ATOM 288 N VAL A 409 -0.155 6.938 13.255 1.00 0.00 N ATOM 289 CA VAL A 409 -1.354 6.373 13.780 1.00 0.00 C ATOM 290 C VAL A 409 -1.649 5.086 13.069 1.00 0.00 C ATOM 291 O VAL A 409 -1.786 5.050 11.852 1.00 0.00 O ATOM 292 CB VAL A 409 -2.481 7.406 13.693 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.200 8.419 14.737 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.523 8.106 12.374 1.00 0.00 C ATOM 0 H VAL A 409 -0.304 7.624 12.515 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.246 6.123 14.836 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.436 6.897 13.822 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.976 9.184 14.720 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.185 7.939 15.715 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.231 8.881 14.545 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.341 8.826 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.580 8.627 12.209 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.678 7.376 11.580 1.00 0.00 H new ATOM 304 N GLU A 410 -1.699 4.028 13.848 1.00 0.00 N ATOM 305 CA GLU A 410 -1.898 2.705 13.316 1.00 0.00 C ATOM 306 C GLU A 410 -3.192 2.606 12.530 1.00 0.00 C ATOM 307 O GLU A 410 -4.289 2.757 13.068 1.00 0.00 O ATOM 308 CB GLU A 410 -1.852 1.667 14.439 1.00 0.00 C ATOM 309 CG GLU A 410 -1.507 0.262 13.964 1.00 0.00 C ATOM 310 CD GLU A 410 -0.645 -0.506 14.958 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.766 -1.753 15.023 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.175 0.132 15.659 1.00 0.00 O ATOM 0 H GLU A 410 -1.603 4.064 14.863 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.085 2.497 12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.117 1.980 15.181 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -2.820 1.644 14.939 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.429 -0.292 13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.984 0.325 13.010 1.00 0.00 H new ATOM 319 N VAL A 411 -3.026 2.373 11.247 1.00 0.00 N ATOM 320 CA VAL A 411 -4.121 2.230 10.329 1.00 0.00 C ATOM 321 C VAL A 411 -4.571 0.772 10.328 1.00 0.00 C ATOM 322 O VAL A 411 -3.834 -0.121 9.890 1.00 0.00 O ATOM 323 CB VAL A 411 -3.725 2.678 8.907 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.960 2.893 8.065 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.917 3.930 8.959 1.00 0.00 C ATOM 0 H VAL A 411 -2.109 2.277 10.811 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.942 2.871 10.650 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.120 1.893 8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.667 3.209 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.524 1.962 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.582 3.663 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.647 4.231 7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.501 4.721 9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.011 3.755 9.539 1.00 0.00 H new ATOM 335 N PRO A 412 -5.774 0.518 10.859 1.00 0.00 N ATOM 336 CA PRO A 412 -6.346 -0.831 10.963 1.00 0.00 C ATOM 337 C PRO A 412 -6.791 -1.399 9.622 1.00 0.00 C ATOM 338 O PRO A 412 -6.790 -0.702 8.611 1.00 0.00 O ATOM 339 CB PRO A 412 -7.562 -0.613 11.862 1.00 0.00 C ATOM 340 CG PRO A 412 -7.970 0.788 11.574 1.00 0.00 C ATOM 341 CD PRO A 412 -6.686 1.541 11.402 1.00 0.00 C ATOM 0 HA PRO A 412 -5.618 -1.548 11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.361 -1.318 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.311 -0.748 12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.583 0.843 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.563 1.201 12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.800 2.383 10.720 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.324 1.944 12.348 1.00 0.00 H new ATOM 349 N GLU A 413 -7.184 -2.664 9.635 1.00 0.00 N ATOM 350 CA GLU A 413 -7.652 -3.342 8.435 1.00 0.00 C ATOM 351 C GLU A 413 -9.162 -3.176 8.303 1.00 0.00 C ATOM 352 O GLU A 413 -9.863 -3.021 9.304 1.00 0.00 O ATOM 353 CB GLU A 413 -7.297 -4.830 8.500 1.00 0.00 C ATOM 354 CG GLU A 413 -5.855 -5.098 8.906 1.00 0.00 C ATOM 355 CD GLU A 413 -4.869 -4.836 7.786 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.904 -3.733 7.203 1.00 0.00 O ATOM 357 OE2 GLU A 413 -4.057 -5.739 7.485 1.00 0.00 O ATOM 0 H GLU A 413 -7.188 -3.247 10.472 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.165 -2.900 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.962 -5.322 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.480 -5.281 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.601 -4.471 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.761 -6.134 9.231 1.00 0.00 H new ATOM 364 N LYS A 414 -9.660 -3.185 7.075 1.00 0.00 N ATOM 365 CA LYS A 414 -11.090 -3.039 6.839 1.00 0.00 C ATOM 366 C LYS A 414 -11.655 -4.252 6.109 1.00 0.00 C ATOM 367 O LYS A 414 -12.715 -4.759 6.476 1.00 0.00 O ATOM 368 CB LYS A 414 -11.384 -1.748 6.082 1.00 0.00 C ATOM 369 CG LYS A 414 -11.621 -0.571 7.013 1.00 0.00 C ATOM 370 CD LYS A 414 -10.845 0.655 6.580 1.00 0.00 C ATOM 371 CE LYS A 414 -11.661 1.536 5.654 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.218 2.959 5.686 1.00 0.00 N ATOM 0 H LYS A 414 -9.099 -3.291 6.230 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.588 -2.980 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.549 -1.521 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.262 -1.892 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.685 -0.337 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.330 -0.846 8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.548 1.227 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.929 0.347 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.584 1.157 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.712 1.479 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.303 3.370 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.815 3.494 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.227 3.007 5.997 1.00 0.00 H new ATOM 786 N VAL B 8 -0.339 -2.706 -10.925 1.00 0.00 N ATOM 787 CA VAL B 8 -0.303 -1.504 -10.113 1.00 0.00 C ATOM 788 C VAL B 8 -1.718 -0.981 -9.915 1.00 0.00 C ATOM 789 O VAL B 8 -2.316 -0.410 -10.823 1.00 0.00 O ATOM 790 CB VAL B 8 0.570 -0.399 -10.747 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.740 0.763 -9.784 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.928 -0.950 -11.158 1.00 0.00 C ATOM 0 HA VAL B 8 0.142 -1.768 -9.154 1.00 0.00 H new ATOM 0 HB VAL B 8 0.063 -0.038 -11.642 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.358 1.532 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.237 1.180 -9.541 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.222 0.412 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.525 -0.153 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.442 -1.343 -10.281 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.791 -1.749 -11.886 1.00 0.00 H new ATOM 802 N LEU B 9 -2.248 -1.203 -8.723 1.00 0.00 N ATOM 803 CA LEU B 9 -3.598 -0.781 -8.392 1.00 0.00 C ATOM 804 C LEU B 9 -3.626 0.679 -7.960 1.00 0.00 C ATOM 805 O LEU B 9 -4.614 1.378 -8.176 1.00 0.00 O ATOM 806 CB LEU B 9 -4.172 -1.664 -7.280 1.00 0.00 C ATOM 807 CG LEU B 9 -4.122 -3.171 -7.548 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.663 -3.941 -6.353 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.905 -3.522 -8.805 1.00 0.00 C ATOM 0 H LEU B 9 -1.759 -1.677 -7.964 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.212 -0.886 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.628 -1.458 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.209 -1.376 -7.110 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.081 -3.456 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.621 -5.010 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.060 -3.717 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.697 -3.648 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.856 -4.597 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.945 -3.221 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.475 -2.999 -9.659 1.00 0.00 H new ATOM 821 N LEU B 10 -2.545 1.143 -7.347 1.00 0.00 N ATOM 822 CA LEU B 10 -2.487 2.530 -6.893 1.00 0.00 C ATOM 823 C LEU B 10 -1.145 3.169 -7.218 1.00 0.00 C ATOM 824 O LEU B 10 -0.094 2.595 -6.946 1.00 0.00 O ATOM 825 CB LEU B 10 -2.748 2.599 -5.392 1.00 0.00 C ATOM 826 CG LEU B 10 -3.135 3.983 -4.859 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.568 4.338 -5.225 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.956 4.039 -3.356 1.00 0.00 C ATOM 0 H LEU B 10 -1.709 0.592 -7.154 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.260 3.088 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.544 1.897 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.853 2.263 -4.868 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.475 4.714 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.810 5.325 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.676 4.343 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.246 3.600 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.235 5.028 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.590 3.288 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.914 3.841 -3.106 1.00 0.00 H new ATOM 840 N ILE B 11 -1.190 4.362 -7.794 1.00 0.00 N ATOM 841 CA ILE B 11 0.021 5.083 -8.150 1.00 0.00 C ATOM 842 C ILE B 11 0.137 6.367 -7.338 1.00 0.00 C ATOM 843 O ILE B 11 -0.678 7.277 -7.476 1.00 0.00 O ATOM 844 CB ILE B 11 0.066 5.419 -9.660 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.080 4.130 -10.485 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.283 6.279 -9.983 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.208 4.354 -11.977 1.00 0.00 C ATOM 0 H ILE B 11 -2.055 4.851 -8.025 1.00 0.00 H new ATOM 0 HA ILE B 11 0.863 4.430 -7.921 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.827 5.988 -9.918 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.908 3.505 -10.150 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.838 3.575 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.297 6.504 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.232 7.209 -9.416 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.191 5.740 -9.715 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.210 3.392 -12.490 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.633 4.951 -12.329 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.139 4.880 -12.187 1.00 0.00 H new ATOM 859 N VAL B 12 1.142 6.412 -6.480 1.00 0.00 N ATOM 860 CA VAL B 12 1.403 7.568 -5.636 1.00 0.00 C ATOM 861 C VAL B 12 2.675 8.251 -6.115 1.00 0.00 C ATOM 862 O VAL B 12 3.649 7.576 -6.459 1.00 0.00 O ATOM 863 CB VAL B 12 1.573 7.153 -4.161 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.422 8.349 -3.239 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.581 6.062 -3.796 1.00 0.00 C ATOM 0 H VAL B 12 1.803 5.646 -6.348 1.00 0.00 H new ATOM 0 HA VAL B 12 0.554 8.248 -5.704 1.00 0.00 H new ATOM 0 HB VAL B 12 2.581 6.757 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.546 8.029 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.180 9.094 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.431 8.785 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.716 5.782 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.435 6.429 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.749 5.191 -4.430 1.00 0.00 H new ATOM 875 N LYS B 13 2.686 9.571 -6.134 1.00 0.00 N ATOM 876 CA LYS B 13 3.855 10.291 -6.607 1.00 0.00 C ATOM 877 C LYS B 13 4.518 11.101 -5.503 1.00 0.00 C ATOM 878 O LYS B 13 3.904 11.399 -4.482 1.00 0.00 O ATOM 879 CB LYS B 13 3.490 11.192 -7.786 1.00 0.00 C ATOM 880 CG LYS B 13 3.619 10.496 -9.133 1.00 0.00 C ATOM 881 CD LYS B 13 4.947 9.763 -9.240 1.00 0.00 C ATOM 882 CE LYS B 13 5.141 9.120 -10.603 1.00 0.00 C ATOM 883 NZ LYS B 13 6.468 8.457 -10.711 1.00 0.00 N ATOM 0 H LYS B 13 1.910 10.160 -5.832 1.00 0.00 H new ATOM 0 HA LYS B 13 4.578 9.546 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.466 11.544 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.133 12.072 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.798 9.791 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.538 11.230 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.762 10.462 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.000 8.996 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.352 8.388 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.048 9.878 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.843 8.586 -11.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.124 8.880 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.366 7.441 -10.513 1.00 0.00 H new ATOM 897 N LYS B 14 5.784 11.450 -5.742 1.00 0.00 N ATOM 898 CA LYS B 14 6.589 12.222 -4.807 1.00 0.00 C ATOM 899 C LYS B 14 6.542 11.631 -3.400 1.00 0.00 C ATOM 900 O LYS B 14 6.074 12.267 -2.458 1.00 0.00 O ATOM 901 CB LYS B 14 6.112 13.668 -4.803 1.00 0.00 C ATOM 902 CG LYS B 14 6.812 14.559 -5.817 1.00 0.00 C ATOM 903 CD LYS B 14 6.386 16.011 -5.659 1.00 0.00 C ATOM 904 CE LYS B 14 5.905 16.606 -6.973 1.00 0.00 C ATOM 905 NZ LYS B 14 4.704 17.465 -6.786 1.00 0.00 N ATOM 0 H LYS B 14 6.279 11.200 -6.598 1.00 0.00 H new ATOM 0 HA LYS B 14 7.628 12.185 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.040 13.686 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.260 14.085 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.892 14.478 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.581 14.217 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.590 16.077 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS B 14 7.224 16.596 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.706 17.194 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.672 15.803 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.367 17.797 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.953 16.916 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.951 18.284 -6.194 1.00 0.00 H new ATOM 919 N VAL B 15 7.045 10.419 -3.263 1.00 0.00 N ATOM 920 CA VAL B 15 7.073 9.734 -1.982 1.00 0.00 C ATOM 921 C VAL B 15 8.515 9.479 -1.571 1.00 0.00 C ATOM 922 O VAL B 15 9.283 8.886 -2.323 1.00 0.00 O ATOM 923 CB VAL B 15 6.301 8.399 -2.036 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.370 7.672 -0.700 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.857 8.644 -2.437 1.00 0.00 C ATOM 0 H VAL B 15 7.445 9.882 -4.033 1.00 0.00 H new ATOM 0 HA VAL B 15 6.585 10.373 -1.246 1.00 0.00 H new ATOM 0 HB VAL B 15 6.770 7.763 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.818 6.735 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.411 7.463 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.931 8.297 0.078 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.323 7.694 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.383 9.301 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.827 9.113 -3.420 1.00 0.00 H new ATOM 935 N ARG B 16 8.879 9.927 -0.387 1.00 0.00 N ATOM 936 CA ARG B 16 10.238 9.763 0.096 1.00 0.00 C ATOM 937 C ARG B 16 10.345 8.660 1.136 1.00 0.00 C ATOM 938 O ARG B 16 9.548 8.587 2.072 1.00 0.00 O ATOM 939 CB ARG B 16 10.748 11.068 0.701 1.00 0.00 C ATOM 940 CG ARG B 16 11.399 11.996 -0.305 1.00 0.00 C ATOM 941 CD ARG B 16 11.712 13.346 0.314 1.00 0.00 C ATOM 942 NE ARG B 16 12.242 13.228 1.672 1.00 0.00 N ATOM 943 CZ ARG B 16 12.749 14.244 2.365 1.00 0.00 C ATOM 944 NH1 ARG B 16 12.863 15.446 1.814 1.00 0.00 N ATOM 945 NH2 ARG B 16 13.152 14.054 3.611 1.00 0.00 N ATOM 0 H ARG B 16 8.254 10.408 0.260 1.00 0.00 H new ATOM 0 HA ARG B 16 10.849 9.485 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.915 11.588 1.175 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.468 10.837 1.486 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.317 11.543 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.737 12.130 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.435 13.870 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.807 13.953 0.332 1.00 0.00 H new ATOM 0 HE ARG B 16 12.222 12.310 2.115 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.561 15.597 0.852 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.253 16.219 2.353 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.073 13.131 4.037 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.541 14.831 4.145 1.00 0.00 H new ATOM 959 N GLN B 17 11.337 7.812 0.960 1.00 0.00 N ATOM 960 CA GLN B 17 11.597 6.730 1.888 1.00 0.00 C ATOM 961 C GLN B 17 12.980 6.933 2.488 1.00 0.00 C ATOM 962 O GLN B 17 13.982 6.665 1.834 1.00 0.00 O ATOM 963 CB GLN B 17 11.522 5.377 1.168 1.00 0.00 C ATOM 964 CG GLN B 17 11.039 4.230 2.046 1.00 0.00 C ATOM 965 CD GLN B 17 12.090 3.737 3.027 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.351 3.775 2.621 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 11.769 3.318 4.138 1.00 0.00 N flip ATOM 0 H GLN B 17 11.984 7.853 0.173 1.00 0.00 H new ATOM 0 HA GLN B 17 10.845 6.732 2.677 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.855 5.470 0.311 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.509 5.130 0.778 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.158 4.553 2.601 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.729 3.401 1.410 1.00 0.00 H new ATOM 0 HE21 GLN B 17 10.787 3.305 4.414 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.485 2.984 4.783 1.00 0.00 H new ATOM 976 N LYS B 18 13.018 7.411 3.728 1.00 0.00 N ATOM 977 CA LYS B 18 14.270 7.668 4.432 1.00 0.00 C ATOM 978 C LYS B 18 15.254 8.503 3.603 1.00 0.00 C ATOM 979 O LYS B 18 16.314 8.014 3.205 1.00 0.00 O ATOM 980 CB LYS B 18 14.904 6.348 4.854 1.00 0.00 C ATOM 981 CG LYS B 18 14.480 5.867 6.236 1.00 0.00 C ATOM 982 CD LYS B 18 14.928 6.819 7.337 1.00 0.00 C ATOM 983 CE LYS B 18 13.791 7.718 7.795 1.00 0.00 C ATOM 984 NZ LYS B 18 14.155 8.534 8.984 1.00 0.00 N ATOM 0 H LYS B 18 12.184 7.631 4.272 1.00 0.00 H new ATOM 0 HA LYS B 18 14.033 8.259 5.317 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.648 5.583 4.121 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.988 6.456 4.836 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.395 5.763 6.266 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.900 4.878 6.420 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.303 6.245 8.185 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.754 7.431 6.976 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.504 8.380 6.978 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.920 7.106 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.426 9.258 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.222 7.919 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.072 8.997 8.820 1.00 0.00 H new ATOM 998 N LYS B 19 14.872 9.758 3.336 1.00 0.00 N ATOM 999 CA LYS B 19 15.691 10.709 2.587 1.00 0.00 C ATOM 1000 C LYS B 19 15.883 10.308 1.123 1.00 0.00 C ATOM 1001 O LYS B 19 16.797 10.792 0.455 1.00 0.00 O ATOM 1002 CB LYS B 19 17.031 10.834 3.282 1.00 0.00 C ATOM 1003 CG LYS B 19 17.009 11.713 4.518 1.00 0.00 C ATOM 1004 CD LYS B 19 17.257 13.176 4.194 1.00 0.00 C ATOM 1005 CE LYS B 19 17.510 13.970 5.460 1.00 0.00 C ATOM 1006 NZ LYS B 19 18.704 13.480 6.194 1.00 0.00 N ATOM 0 H LYS B 19 13.977 10.142 3.638 1.00 0.00 H new ATOM 0 HA LYS B 19 15.172 11.667 2.570 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.376 9.839 3.563 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.758 11.236 2.576 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.044 11.612 5.015 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.767 11.366 5.221 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.113 13.265 3.526 1.00 0.00 H new ATOM 0 HD3 LYS B 19 16.397 13.588 3.667 1.00 0.00 H new ATOM 0 HE2 LYS B 19 17.646 15.022 5.207 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.635 13.908 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 19.074 14.239 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.439 12.664 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 19.437 13.194 5.514 1.00 0.00 H new ATOM 1020 N GLN B 20 15.017 9.444 0.621 1.00 0.00 N ATOM 1021 CA GLN B 20 15.107 9.002 -0.765 1.00 0.00 C ATOM 1022 C GLN B 20 13.842 9.386 -1.517 1.00 0.00 C ATOM 1023 O GLN B 20 12.751 8.937 -1.174 1.00 0.00 O ATOM 1024 CB GLN B 20 15.334 7.491 -0.835 1.00 0.00 C ATOM 1025 CG GLN B 20 16.580 7.033 -0.096 1.00 0.00 C ATOM 1026 CD GLN B 20 16.563 5.553 0.226 1.00 0.00 C ATOM 1027 OE1 GLN B 20 16.038 4.740 -0.534 1.00 0.00 O ATOM 1028 NE2 GLN B 20 17.129 5.193 1.368 1.00 0.00 N ATOM 0 H GLN B 20 14.246 9.035 1.148 1.00 0.00 H new ATOM 0 HA GLN B 20 15.958 9.496 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.465 6.981 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.409 7.190 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.458 7.258 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.676 7.600 0.830 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.554 5.897 1.971 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.140 4.211 1.645 1.00 0.00 H new ATOM 1037 N ASP B 21 13.994 10.226 -2.528 1.00 0.00 N ATOM 1038 CA ASP B 21 12.863 10.692 -3.326 1.00 0.00 C ATOM 1039 C ASP B 21 12.449 9.648 -4.356 1.00 0.00 C ATOM 1040 O ASP B 21 13.283 9.132 -5.104 1.00 0.00 O ATOM 1041 CB ASP B 21 13.226 12.007 -4.020 1.00 0.00 C ATOM 1042 CG ASP B 21 12.094 12.576 -4.852 1.00 0.00 C ATOM 1043 OD1 ASP B 21 12.300 12.798 -6.063 1.00 0.00 O ATOM 1044 OD2 ASP B 21 11.011 12.854 -4.291 1.00 0.00 O ATOM 0 H ASP B 21 14.895 10.604 -2.820 1.00 0.00 H new ATOM 0 HA ASP B 21 12.017 10.858 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.518 12.739 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP B 21 14.093 11.845 -4.660 1.00 0.00 H new ATOM 1049 N GLY B 22 11.161 9.332 -4.386 1.00 0.00 N ATOM 1050 CA GLY B 22 10.662 8.351 -5.323 1.00 0.00 C ATOM 1051 C GLY B 22 9.154 8.371 -5.443 1.00 0.00 C ATOM 1052 O GLY B 22 8.520 9.408 -5.251 1.00 0.00 O ATOM 0 H GLY B 22 10.453 9.740 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.103 8.534 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.984 7.358 -5.009 1.00 0.00 H new ATOM 1056 N ALA B 23 8.583 7.221 -5.761 1.00 0.00 N ATOM 1057 CA ALA B 23 7.146 7.087 -5.910 1.00 0.00 C ATOM 1058 C ALA B 23 6.681 5.753 -5.351 1.00 0.00 C ATOM 1059 O ALA B 23 7.400 4.755 -5.424 1.00 0.00 O ATOM 1060 CB ALA B 23 6.754 7.220 -7.370 1.00 0.00 C ATOM 0 H ALA B 23 9.102 6.358 -5.922 1.00 0.00 H new ATOM 0 HA ALA B 23 6.659 7.884 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.673 7.117 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.061 8.198 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.246 6.440 -7.951 1.00 0.00 H new ATOM 1066 N LEU B 24 5.480 5.741 -4.801 1.00 0.00 N ATOM 1067 CA LEU B 24 4.921 4.535 -4.220 1.00 0.00 C ATOM 1068 C LEU B 24 3.880 3.936 -5.148 1.00 0.00 C ATOM 1069 O LEU B 24 3.018 4.639 -5.666 1.00 0.00 O ATOM 1070 CB LEU B 24 4.299 4.838 -2.858 1.00 0.00 C ATOM 1071 CG LEU B 24 3.893 3.605 -2.057 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.103 2.972 -1.395 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.837 3.965 -1.024 1.00 0.00 C ATOM 0 H LEU B 24 4.871 6.557 -4.745 1.00 0.00 H new ATOM 0 HA LEU B 24 5.726 3.813 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.009 5.419 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.420 5.465 -3.006 1.00 0.00 H new ATOM 0 HG LEU B 24 3.464 2.875 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.791 2.094 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.821 2.674 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.567 3.692 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.559 3.073 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.237 4.715 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.957 4.365 -1.528 1.00 0.00 H new ATOM 1085 N TYR B 25 3.971 2.641 -5.370 1.00 0.00 N ATOM 1086 CA TYR B 25 3.033 1.955 -6.241 1.00 0.00 C ATOM 1087 C TYR B 25 2.416 0.750 -5.539 1.00 0.00 C ATOM 1088 O TYR B 25 3.110 -0.216 -5.218 1.00 0.00 O ATOM 1089 CB TYR B 25 3.727 1.499 -7.531 1.00 0.00 C ATOM 1090 CG TYR B 25 4.473 2.598 -8.258 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.854 2.717 -8.150 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.799 3.515 -9.055 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.540 3.718 -8.811 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.479 4.519 -9.722 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.849 4.616 -9.596 1.00 0.00 C ATOM 1096 OH TYR B 25 6.532 5.617 -10.258 1.00 0.00 O ATOM 0 H TYR B 25 4.685 2.040 -4.960 1.00 0.00 H new ATOM 0 HA TYR B 25 2.239 2.659 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.427 0.699 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.979 1.077 -8.203 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.401 2.014 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.726 3.443 -9.156 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.613 3.796 -8.713 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.940 5.223 -10.338 1.00 0.00 H new ATOM 0 HH TYR B 25 6.265 5.627 -11.201 1.00 0.00 H new ATOM 1106 N LEU B 26 1.114 0.820 -5.279 1.00 0.00 N ATOM 1107 CA LEU B 26 0.414 -0.290 -4.651 1.00 0.00 C ATOM 1108 C LEU B 26 0.177 -1.345 -5.706 1.00 0.00 C ATOM 1109 O LEU B 26 -0.319 -1.039 -6.791 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.920 0.140 -4.039 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.823 1.067 -2.827 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.074 0.955 -1.970 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.408 0.752 -2.004 1.00 0.00 C ATOM 0 H LEU B 26 0.528 1.627 -5.492 1.00 0.00 H new ATOM 0 HA LEU B 26 1.026 -0.676 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.508 0.639 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.470 -0.754 -3.747 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.739 2.091 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.988 1.621 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.946 1.235 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.186 -0.072 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.455 1.425 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.357 -0.279 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.299 0.883 -2.618 1.00 0.00 H new ATOM 1125 N MET B 27 0.522 -2.576 -5.407 1.00 0.00 N ATOM 1126 CA MET B 27 0.379 -3.635 -6.377 1.00 0.00 C ATOM 1127 C MET B 27 -0.642 -4.664 -5.917 1.00 0.00 C ATOM 1128 O MET B 27 -1.054 -4.666 -4.756 1.00 0.00 O ATOM 1129 CB MET B 27 1.727 -4.294 -6.620 1.00 0.00 C ATOM 1130 CG MET B 27 2.908 -3.361 -6.400 1.00 0.00 C ATOM 1131 SD MET B 27 4.413 -3.923 -7.207 1.00 0.00 S ATOM 1132 CE MET B 27 4.190 -3.174 -8.811 1.00 0.00 C ATOM 0 H MET B 27 0.901 -2.867 -4.506 1.00 0.00 H new ATOM 0 HA MET B 27 0.018 -3.204 -7.311 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.826 -5.155 -5.958 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.759 -4.672 -7.642 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.653 -2.368 -6.771 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.092 -3.264 -5.330 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.039 -3.420 -9.449 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.274 -3.552 -9.265 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.121 -2.092 -8.701 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.001 -5.554 -6.835 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.004 -6.591 -6.609 1.00 0.00 C ATOM 1144 C ALA B 28 -1.865 -7.305 -5.264 1.00 0.00 C ATOM 1145 O ALA B 28 -2.822 -7.355 -4.495 1.00 0.00 O ATOM 1146 CB ALA B 28 -1.939 -7.603 -7.742 1.00 0.00 C ATOM 0 H ALA B 28 -0.598 -5.577 -7.772 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.973 -6.092 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.686 -8.380 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.138 -7.102 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.947 -8.054 -7.771 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.689 -7.830 -4.963 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.497 -8.545 -3.710 1.00 0.00 C ATOM 1154 C GLU B 29 0.633 -7.946 -2.884 1.00 0.00 C ATOM 1155 O GLU B 29 1.088 -8.557 -1.909 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.199 -10.024 -3.975 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.241 -10.726 -4.831 1.00 0.00 C ATOM 1158 CD GLU B 29 -1.421 -12.180 -4.445 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -2.572 -12.666 -4.454 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -0.418 -12.843 -4.105 1.00 0.00 O ATOM 0 H GLU B 29 0.137 -7.777 -5.559 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.424 -8.452 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.772 -10.105 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.119 -10.544 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -2.195 -10.207 -4.736 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.948 -10.665 -5.879 1.00 0.00 H new ATOM 1167 N ARG B 30 1.070 -6.742 -3.225 1.00 0.00 N ATOM 1168 CA ARG B 30 2.168 -6.135 -2.486 1.00 0.00 C ATOM 1169 C ARG B 30 2.229 -4.632 -2.669 1.00 0.00 C ATOM 1170 O ARG B 30 1.493 -4.058 -3.458 1.00 0.00 O ATOM 1171 CB ARG B 30 3.499 -6.751 -2.923 1.00 0.00 C ATOM 1172 CG ARG B 30 3.935 -6.373 -4.333 1.00 0.00 C ATOM 1173 CD ARG B 30 4.968 -7.350 -4.858 1.00 0.00 C ATOM 1174 NE ARG B 30 6.079 -6.677 -5.523 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.366 -6.821 -6.814 1.00 0.00 C ATOM 1176 NH1 ARG B 30 5.608 -7.591 -7.587 1.00 0.00 N ATOM 1177 NH2 ARG B 30 7.407 -6.185 -7.333 1.00 0.00 N ATOM 0 H ARG B 30 0.694 -6.179 -3.987 1.00 0.00 H new ATOM 0 HA ARG B 30 1.988 -6.334 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.275 -6.444 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.422 -7.836 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.069 -6.362 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.349 -5.365 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.351 -7.949 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.492 -8.038 -5.557 1.00 0.00 H new ATOM 0 HE ARG B 30 6.670 -6.060 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.802 -8.075 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.832 -7.698 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.985 -5.587 -6.743 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.629 -6.294 -8.323 1.00 0.00 H new ATOM 1191 N ILE B 31 3.105 -4.008 -1.910 1.00 0.00 N ATOM 1192 CA ILE B 31 3.313 -2.580 -1.990 1.00 0.00 C ATOM 1193 C ILE B 31 4.788 -2.322 -2.263 1.00 0.00 C ATOM 1194 O ILE B 31 5.657 -2.803 -1.528 1.00 0.00 O ATOM 1195 CB ILE B 31 2.859 -1.850 -0.701 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.413 -0.420 -0.656 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.283 -2.628 0.533 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.940 0.380 0.541 1.00 0.00 C ATOM 0 H ILE B 31 3.692 -4.478 -1.221 1.00 0.00 H new ATOM 0 HA ILE B 31 2.703 -2.182 -2.801 1.00 0.00 H new ATOM 0 HB ILE B 31 1.771 -1.790 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.502 -0.462 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.122 0.101 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.955 -2.099 1.427 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.830 -3.619 0.511 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.369 -2.725 0.547 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.373 1.380 0.504 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.853 0.454 0.522 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.254 -0.118 1.458 1.00 0.00 H new ATOM 1210 N ALA B 32 5.076 -1.597 -3.329 1.00 0.00 N ATOM 1211 CA ALA B 32 6.452 -1.326 -3.691 1.00 0.00 C ATOM 1212 C ALA B 32 6.720 0.162 -3.850 1.00 0.00 C ATOM 1213 O ALA B 32 5.814 0.951 -4.124 1.00 0.00 O ATOM 1214 CB ALA B 32 6.812 -2.067 -4.967 1.00 0.00 C ATOM 0 H ALA B 32 4.380 -1.189 -3.954 1.00 0.00 H new ATOM 0 HA ALA B 32 7.082 -1.682 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.849 -1.856 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.688 -3.139 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.159 -1.738 -5.775 1.00 0.00 H new ATOM 1220 N TRP B 33 7.975 0.527 -3.669 1.00 0.00 N ATOM 1221 CA TRP B 33 8.414 1.902 -3.793 1.00 0.00 C ATOM 1222 C TRP B 33 9.685 1.947 -4.629 1.00 0.00 C ATOM 1223 O TRP B 33 10.569 1.098 -4.473 1.00 0.00 O ATOM 1224 CB TRP B 33 8.658 2.510 -2.404 1.00 0.00 C ATOM 1225 CG TRP B 33 9.207 3.905 -2.438 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.493 5.067 -2.449 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.590 4.284 -2.462 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.347 6.142 -2.490 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.636 5.687 -2.498 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.792 3.571 -2.462 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.834 6.391 -2.532 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.980 4.272 -2.494 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.994 5.669 -2.529 1.00 0.00 C ATOM 0 H TRP B 33 8.721 -0.126 -3.431 1.00 0.00 H new ATOM 0 HA TRP B 33 7.640 2.489 -4.287 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.719 2.513 -1.850 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.350 1.871 -1.855 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.415 5.132 -2.428 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.065 7.122 -2.511 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.791 2.491 -2.437 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.847 7.471 -2.560 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.915 3.732 -2.492 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.941 6.188 -2.554 1.00 0.00 H new ATOM 1244 N ALA B 34 9.768 2.922 -5.516 1.00 0.00 N ATOM 1245 CA ALA B 34 10.928 3.073 -6.377 1.00 0.00 C ATOM 1246 C ALA B 34 11.278 4.543 -6.536 1.00 0.00 C ATOM 1247 O ALA B 34 10.385 5.385 -6.607 1.00 0.00 O ATOM 1248 CB ALA B 34 10.657 2.448 -7.738 1.00 0.00 C ATOM 0 H ALA B 34 9.042 3.624 -5.660 1.00 0.00 H new ATOM 0 HA ALA B 34 11.773 2.560 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.534 2.568 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.440 1.387 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.802 2.941 -8.201 1.00 0.00 H new ATOM 1254 N PRO B 35 12.580 4.874 -6.566 1.00 0.00 N ATOM 1255 CA PRO B 35 13.037 6.255 -6.742 1.00 0.00 C ATOM 1256 C PRO B 35 12.493 6.851 -8.040 1.00 0.00 C ATOM 1257 O PRO B 35 12.417 6.165 -9.063 1.00 0.00 O ATOM 1258 CB PRO B 35 14.568 6.139 -6.789 1.00 0.00 C ATOM 1259 CG PRO B 35 14.851 4.691 -7.023 1.00 0.00 C ATOM 1260 CD PRO B 35 13.701 3.936 -6.423 1.00 0.00 C ATOM 0 HA PRO B 35 12.692 6.914 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.984 6.754 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.016 6.481 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.942 4.480 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.793 4.399 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.514 3.000 -6.950 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.885 3.683 -5.379 1.00 0.00 H new ATOM 1368 N THR B 42 13.152 -0.544 -4.864 1.00 0.00 N ATOM 1369 CA THR B 42 14.050 -0.870 -3.771 1.00 0.00 C ATOM 1370 C THR B 42 13.268 -1.406 -2.579 1.00 0.00 C ATOM 1371 O THR B 42 13.795 -2.154 -1.755 1.00 0.00 O ATOM 1372 CB THR B 42 14.862 0.364 -3.351 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.097 1.552 -3.601 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.179 0.433 -4.112 1.00 0.00 C ATOM 0 HA THR B 42 14.738 -1.641 -4.117 1.00 0.00 H new ATOM 0 HB THR B 42 15.083 0.286 -2.287 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.329 1.333 -4.170 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.736 1.316 -3.797 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.767 -0.461 -3.903 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.978 0.494 -5.182 1.00 0.00 H new ATOM 1382 N ILE B 43 12.004 -1.019 -2.497 1.00 0.00 N ATOM 1383 CA ILE B 43 11.136 -1.457 -1.419 1.00 0.00 C ATOM 1384 C ILE B 43 9.984 -2.274 -1.986 1.00 0.00 C ATOM 1385 O ILE B 43 9.284 -1.817 -2.885 1.00 0.00 O ATOM 1386 CB ILE B 43 10.565 -0.259 -0.627 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.693 0.647 -0.118 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.703 -0.745 0.531 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.607 -0.016 0.892 1.00 0.00 C ATOM 0 H ILE B 43 11.556 -0.398 -3.170 1.00 0.00 H new ATOM 0 HA ILE B 43 11.732 -2.066 -0.739 1.00 0.00 H new ATOM 0 HB ILE B 43 9.939 0.326 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.289 0.981 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.255 1.537 0.333 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.310 0.113 1.077 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.875 -1.339 0.144 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.306 -1.357 1.202 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.378 0.689 1.203 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.026 -0.325 1.761 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.076 -0.890 0.440 1.00 0.00 H new ATOM 1401 N SER B 44 9.805 -3.484 -1.479 1.00 0.00 N ATOM 1402 CA SER B 44 8.733 -4.351 -1.936 1.00 0.00 C ATOM 1403 C SER B 44 8.241 -5.226 -0.786 1.00 0.00 C ATOM 1404 O SER B 44 8.899 -6.191 -0.403 1.00 0.00 O ATOM 1405 CB SER B 44 9.222 -5.221 -3.101 1.00 0.00 C ATOM 1406 OG SER B 44 8.145 -5.902 -3.730 1.00 0.00 O ATOM 0 H SER B 44 10.391 -3.888 -0.748 1.00 0.00 H new ATOM 0 HA SER B 44 7.903 -3.737 -2.285 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.736 -4.597 -3.832 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.948 -5.947 -2.735 1.00 0.00 H new ATOM 0 HG SER B 44 8.489 -6.446 -4.469 1.00 0.00 H new ATOM 1412 N HIS B 45 7.091 -4.874 -0.229 1.00 0.00 N ATOM 1413 CA HIS B 45 6.520 -5.631 0.877 1.00 0.00 C ATOM 1414 C HIS B 45 5.201 -6.252 0.473 1.00 0.00 C ATOM 1415 O HIS B 45 4.311 -5.568 -0.025 1.00 0.00 O ATOM 1416 CB HIS B 45 6.304 -4.739 2.102 1.00 0.00 C ATOM 1417 CG HIS B 45 7.569 -4.292 2.764 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.353 -5.101 3.553 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.178 -3.082 2.750 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.390 -4.374 3.986 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.332 -3.141 3.523 1.00 0.00 N ATOM 0 H HIS B 45 6.536 -4.071 -0.524 1.00 0.00 H new ATOM 0 HA HIS B 45 7.228 -6.419 1.134 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.734 -3.860 1.802 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.698 -5.279 2.829 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.175 -6.082 3.770 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.823 -2.209 2.222 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.172 -4.748 4.630 1.00 0.00 H new ATOM 1429 N MET B 46 5.081 -7.550 0.675 1.00 0.00 N ATOM 1430 CA MET B 46 3.853 -8.246 0.346 1.00 0.00 C ATOM 1431 C MET B 46 2.835 -7.984 1.439 1.00 0.00 C ATOM 1432 O MET B 46 3.195 -7.885 2.610 1.00 0.00 O ATOM 1433 CB MET B 46 4.084 -9.758 0.213 1.00 0.00 C ATOM 1434 CG MET B 46 5.340 -10.138 -0.558 1.00 0.00 C ATOM 1435 SD MET B 46 5.282 -9.637 -2.289 1.00 0.00 S ATOM 1436 CE MET B 46 3.892 -10.601 -2.885 1.00 0.00 C ATOM 0 H MET B 46 5.816 -8.141 1.064 1.00 0.00 H new ATOM 0 HA MET B 46 3.490 -7.877 -0.613 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.139 -10.194 1.211 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.221 -10.203 -0.282 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.206 -9.678 -0.081 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.481 -11.217 -0.502 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.945 -10.683 -3.971 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.924 -11.597 -2.444 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.961 -10.109 -2.603 1.00 0.00 H new ATOM 1446 N TYR B 47 1.573 -7.863 1.061 1.00 0.00 N ATOM 1447 CA TYR B 47 0.505 -7.619 2.032 1.00 0.00 C ATOM 1448 C TYR B 47 0.463 -8.738 3.072 1.00 0.00 C ATOM 1449 O TYR B 47 0.084 -8.522 4.225 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.856 -7.519 1.333 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.969 -6.374 0.347 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -1.672 -6.527 -0.840 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -0.375 -5.145 0.603 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -1.778 -5.490 -1.744 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -0.478 -4.102 -0.297 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.180 -4.280 -1.469 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.283 -3.248 -2.371 1.00 0.00 O ATOM 0 H TYR B 47 1.258 -7.929 0.093 1.00 0.00 H new ATOM 0 HA TYR B 47 0.716 -6.673 2.530 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.052 -8.455 0.809 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.633 -7.409 2.090 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.144 -7.473 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.176 -5.002 1.521 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.328 -5.626 -2.664 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.011 -3.152 -0.083 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.217 -3.602 -3.282 1.00 0.00 H new ATOM 1467 N ALA B 48 0.892 -9.922 2.652 1.00 0.00 N ATOM 1468 CA ALA B 48 0.905 -11.102 3.506 1.00 0.00 C ATOM 1469 C ALA B 48 2.018 -11.058 4.553 1.00 0.00 C ATOM 1470 O ALA B 48 2.060 -11.900 5.448 1.00 0.00 O ATOM 1471 CB ALA B 48 1.048 -12.345 2.645 1.00 0.00 C ATOM 0 H ALA B 48 1.241 -10.091 1.708 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.039 -11.126 4.050 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.058 -13.230 3.282 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.209 -12.406 1.952 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.980 -12.293 2.082 1.00 0.00 H new ATOM 1477 N ASP B 49 2.913 -10.084 4.441 1.00 0.00 N ATOM 1478 CA ASP B 49 4.022 -9.953 5.386 1.00 0.00 C ATOM 1479 C ASP B 49 3.871 -8.712 6.251 1.00 0.00 C ATOM 1480 O ASP B 49 4.721 -8.420 7.095 1.00 0.00 O ATOM 1481 CB ASP B 49 5.361 -9.902 4.645 1.00 0.00 C ATOM 1482 CG ASP B 49 5.973 -11.274 4.452 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.618 -11.960 3.472 1.00 0.00 O ATOM 1484 OD2 ASP B 49 6.806 -11.676 5.291 1.00 0.00 O ATOM 0 H ASP B 49 2.895 -9.374 3.709 1.00 0.00 H new ATOM 0 HA ASP B 49 4.002 -10.830 6.033 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.216 -9.433 3.672 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.056 -9.273 5.201 1.00 0.00 H new ATOM 1489 N ILE B 50 2.783 -7.986 6.055 1.00 0.00 N ATOM 1490 CA ILE B 50 2.540 -6.771 6.814 1.00 0.00 C ATOM 1491 C ILE B 50 1.471 -7.007 7.883 1.00 0.00 C ATOM 1492 O ILE B 50 0.384 -7.501 7.581 1.00 0.00 O ATOM 1493 CB ILE B 50 2.095 -5.625 5.884 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.112 -5.433 4.756 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.924 -4.338 6.674 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.605 -4.577 3.618 1.00 0.00 C ATOM 0 H ILE B 50 2.055 -8.216 5.378 1.00 0.00 H new ATOM 0 HA ILE B 50 3.474 -6.490 7.300 1.00 0.00 H new ATOM 0 HB ILE B 50 1.134 -5.887 5.442 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.014 -4.979 5.166 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.396 -6.410 4.365 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.610 -3.538 6.003 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.168 -4.483 7.446 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.872 -4.069 7.140 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.381 -4.486 2.857 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.720 -5.040 3.181 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.348 -3.587 3.994 1.00 0.00 H new ATOM 1508 N LYS B 51 1.781 -6.657 9.130 1.00 0.00 N ATOM 1509 CA LYS B 51 0.839 -6.831 10.236 1.00 0.00 C ATOM 1510 C LYS B 51 -0.278 -5.805 10.135 1.00 0.00 C ATOM 1511 O LYS B 51 -1.457 -6.135 10.246 1.00 0.00 O ATOM 1512 CB LYS B 51 1.556 -6.685 11.590 1.00 0.00 C ATOM 1513 CG LYS B 51 0.608 -6.621 12.786 1.00 0.00 C ATOM 1514 CD LYS B 51 1.348 -6.345 14.092 1.00 0.00 C ATOM 1515 CE LYS B 51 1.350 -4.861 14.452 1.00 0.00 C ATOM 1516 NZ LYS B 51 0.009 -4.381 14.897 1.00 0.00 N ATOM 0 H LYS B 51 2.677 -6.251 9.401 1.00 0.00 H new ATOM 0 HA LYS B 51 0.416 -7.834 10.171 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.237 -7.526 11.723 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.165 -5.781 11.572 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.134 -5.840 12.618 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.066 -7.563 12.869 1.00 0.00 H new ATOM 0 HD2 LYS B 51 0.882 -6.912 14.898 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.376 -6.698 14.007 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.078 -4.683 15.244 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.672 -4.281 13.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 0.125 -3.686 15.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.484 -3.936 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.550 -5.186 15.244 1.00 0.00 H new ATOM 1530 N CYS B 52 0.118 -4.565 9.918 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.809 -3.454 9.800 1.00 0.00 C ATOM 1532 C CYS B 52 -0.062 -2.256 9.255 1.00 0.00 C ATOM 1533 O CYS B 52 1.136 -2.345 8.973 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.416 -3.105 11.156 1.00 0.00 C ATOM 1535 SG CYS B 52 -0.177 -2.749 12.417 1.00 0.00 S ATOM 0 H CYS B 52 1.097 -4.298 9.818 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.619 -3.735 9.127 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.069 -2.240 11.043 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.040 -3.933 11.492 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.764 -2.308 13.490 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.735 -1.136 9.127 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.108 0.038 8.608 1.00 0.00 C ATOM 1543 C GLN B 53 -0.309 1.154 9.612 1.00 0.00 C ATOM 1544 O GLN B 53 -1.053 0.986 10.563 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.744 0.358 7.256 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.245 0.167 7.275 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.968 0.992 6.243 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.464 2.009 5.769 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -4.175 0.577 5.917 1.00 0.00 N ATOM 0 H GLN B 53 -1.717 -1.022 9.378 1.00 0.00 H new ATOM 0 HA GLN B 53 0.963 -0.097 8.455 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.513 1.387 6.982 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.307 -0.282 6.489 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.471 -0.886 7.110 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.624 0.424 8.264 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.552 -0.273 6.336 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.732 1.106 5.246 1.00 0.00 H new ATOM 1558 N LYS B 54 0.415 2.235 9.464 1.00 0.00 N ATOM 1559 CA LYS B 54 0.275 3.386 10.331 1.00 0.00 C ATOM 1560 C LYS B 54 0.450 4.604 9.473 1.00 0.00 C ATOM 1561 O LYS B 54 0.943 4.505 8.355 1.00 0.00 O ATOM 1562 CB LYS B 54 1.326 3.413 11.444 1.00 0.00 C ATOM 1563 CG LYS B 54 1.756 2.053 11.947 1.00 0.00 C ATOM 1564 CD LYS B 54 1.360 1.872 13.391 1.00 0.00 C ATOM 1565 CE LYS B 54 2.491 2.201 14.340 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.119 1.904 15.750 1.00 0.00 N ATOM 0 H LYS B 54 1.122 2.345 8.737 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.702 3.348 10.813 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.205 3.944 11.080 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.931 3.986 12.283 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.299 1.273 11.338 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.836 1.946 11.844 1.00 0.00 H new ATOM 0 HD2 LYS B 54 0.504 2.509 13.614 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.041 0.842 13.552 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.376 1.627 14.067 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.753 3.255 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.978 1.861 16.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.494 2.653 16.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.624 0.990 15.793 1.00 0.00 H new ATOM 1580 N ILE B 55 0.039 5.736 9.965 1.00 0.00 N ATOM 1581 CA ILE B 55 0.177 6.959 9.195 1.00 0.00 C ATOM 1582 C ILE B 55 0.603 8.098 10.075 1.00 0.00 C ATOM 1583 O ILE B 55 0.022 8.272 11.117 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.176 7.348 8.560 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.272 7.102 9.586 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.440 6.564 7.287 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.681 7.377 9.139 1.00 0.00 C ATOM 0 H ILE B 55 -0.391 5.849 10.883 1.00 0.00 H new ATOM 0 HA ILE B 55 0.927 6.775 8.425 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.155 8.401 8.280 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.212 6.062 9.907 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.065 7.718 10.461 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.400 6.864 6.868 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.650 6.767 6.564 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.460 5.498 7.514 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.370 7.165 9.956 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.773 8.424 8.849 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.923 6.742 8.287 1.00 0.00 H new ATOM 1599 N SER B 56 1.623 8.858 9.707 1.00 0.00 N ATOM 1600 CA SER B 56 1.969 9.996 10.526 1.00 0.00 C ATOM 1601 C SER B 56 0.791 10.933 10.370 1.00 0.00 C ATOM 1602 O SER B 56 0.565 11.471 9.264 1.00 0.00 O ATOM 1603 CB SER B 56 3.307 10.636 10.139 1.00 0.00 C ATOM 1604 OG SER B 56 3.234 11.318 8.914 1.00 0.00 O ATOM 0 H SER B 56 2.202 8.713 8.880 1.00 0.00 H new ATOM 0 HA SER B 56 2.133 9.716 11.567 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.616 11.330 10.921 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.073 9.863 10.078 1.00 0.00 H new ATOM 0 HG SER B 56 3.655 12.198 9.004 1.00 0.00 H new ATOM 1610 N PRO B 57 0.010 11.053 11.475 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.255 11.791 11.544 1.00 0.00 C ATOM 1612 C PRO B 57 -1.160 13.251 11.131 1.00 0.00 C ATOM 1613 O PRO B 57 -0.069 13.825 11.027 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.643 11.726 13.028 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.389 11.383 13.738 1.00 0.00 C ATOM 1616 CD PRO B 57 0.367 10.511 12.797 1.00 0.00 C ATOM 0 HA PRO B 57 -1.972 11.349 10.853 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.044 12.679 13.373 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.413 10.975 13.202 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.180 12.279 13.988 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.596 10.865 14.675 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.441 10.561 12.976 1.00 0.00 H new ATOM 0 HD3 PRO B 57 0.076 9.465 12.895 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.321 13.841 10.898 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.414 15.240 10.549 1.00 0.00 C ATOM 1626 C GLU B 58 -1.853 16.067 11.699 1.00 0.00 C ATOM 1627 O GLU B 58 -2.058 15.742 12.868 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.867 15.626 10.261 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.344 15.224 8.870 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.836 13.787 8.787 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -5.909 13.564 8.199 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.142 12.874 9.283 1.00 0.00 O ATOM 0 H GLU B 58 -3.220 13.361 10.946 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.836 15.434 9.645 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.512 15.159 11.006 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.977 16.704 10.375 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.148 15.893 8.563 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.527 15.361 8.161 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.162 17.136 11.366 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.544 17.960 12.379 1.00 0.00 C ATOM 1641 C GLY B 59 0.959 17.890 12.258 1.00 0.00 C ATOM 1642 O GLY B 59 1.663 18.854 12.557 1.00 0.00 O ATOM 0 H GLY B 59 -1.015 17.452 10.408 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.878 18.992 12.273 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.853 17.626 13.369 1.00 0.00 H new ATOM 1646 N LYS B 60 1.453 16.731 11.824 1.00 0.00 N ATOM 1647 CA LYS B 60 2.876 16.556 11.596 1.00 0.00 C ATOM 1648 C LYS B 60 3.281 17.434 10.416 1.00 0.00 C ATOM 1649 O LYS B 60 2.453 17.737 9.557 1.00 0.00 O ATOM 1650 CB LYS B 60 3.224 15.093 11.279 1.00 0.00 C ATOM 1651 CG LYS B 60 3.581 14.223 12.483 1.00 0.00 C ATOM 1652 CD LYS B 60 4.451 13.054 12.048 1.00 0.00 C ATOM 1653 CE LYS B 60 5.306 12.516 13.177 1.00 0.00 C ATOM 1654 NZ LYS B 60 5.868 13.585 14.037 1.00 0.00 N ATOM 0 H LYS B 60 0.887 15.906 11.626 1.00 0.00 H new ATOM 0 HA LYS B 60 3.413 16.838 12.502 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.376 14.640 10.765 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.063 15.081 10.583 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.107 14.819 13.228 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.671 13.852 12.955 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.816 12.255 11.665 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.095 13.370 11.227 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.707 11.842 13.789 1.00 0.00 H new ATOM 0 HE3 LYS B 60 6.122 11.927 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.727 13.236 14.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.106 14.412 13.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.166 13.859 14.754 1.00 0.00 H new ATOM 1668 N ALA B 61 4.543 17.833 10.361 1.00 0.00 N ATOM 1669 CA ALA B 61 5.019 18.675 9.267 1.00 0.00 C ATOM 1670 C ALA B 61 5.145 17.876 7.975 1.00 0.00 C ATOM 1671 O ALA B 61 5.531 18.407 6.936 1.00 0.00 O ATOM 1672 CB ALA B 61 6.348 19.318 9.632 1.00 0.00 C ATOM 0 H ALA B 61 5.252 17.592 11.053 1.00 0.00 H new ATOM 0 HA ALA B 61 4.285 19.464 9.102 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.689 19.942 8.806 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.222 19.932 10.523 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.087 18.541 9.828 1.00 0.00 H new ATOM 1678 N LYS B 62 4.820 16.594 8.055 1.00 0.00 N ATOM 1679 CA LYS B 62 4.881 15.712 6.908 1.00 0.00 C ATOM 1680 C LYS B 62 3.959 14.516 7.118 1.00 0.00 C ATOM 1681 O LYS B 62 4.089 13.783 8.101 1.00 0.00 O ATOM 1682 CB LYS B 62 6.321 15.254 6.647 1.00 0.00 C ATOM 1683 CG LYS B 62 7.166 15.077 7.902 1.00 0.00 C ATOM 1684 CD LYS B 62 8.651 15.220 7.594 1.00 0.00 C ATOM 1685 CE LYS B 62 9.075 14.288 6.473 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.482 14.504 6.057 1.00 0.00 N ATOM 0 H LYS B 62 4.508 16.141 8.914 1.00 0.00 H new ATOM 0 HA LYS B 62 4.543 16.261 6.029 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.295 14.308 6.105 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.808 15.981 5.996 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.874 15.817 8.647 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.975 14.095 8.336 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.869 16.251 7.315 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.233 15.003 8.490 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.950 13.255 6.797 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.419 14.435 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.722 13.844 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.599 15.482 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.113 14.338 6.867 1.00 0.00 H new ATOM 1700 N ILE B 63 3.007 14.357 6.209 1.00 0.00 N ATOM 1701 CA ILE B 63 2.045 13.262 6.262 1.00 0.00 C ATOM 1702 C ILE B 63 2.682 12.009 5.674 1.00 0.00 C ATOM 1703 O ILE B 63 3.091 12.007 4.510 1.00 0.00 O ATOM 1704 CB ILE B 63 0.763 13.639 5.486 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.165 14.924 6.061 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.259 12.519 5.534 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.250 16.107 5.122 1.00 0.00 C ATOM 0 H ILE B 63 2.879 14.983 5.414 1.00 0.00 H new ATOM 0 HA ILE B 63 1.767 13.069 7.298 1.00 0.00 H new ATOM 0 HB ILE B 63 1.033 13.802 4.443 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.880 14.746 6.314 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.680 15.170 6.989 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.149 12.815 4.979 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.165 11.620 5.087 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.528 12.316 6.571 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.194 16.982 5.598 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.295 16.312 4.888 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.290 15.881 4.202 1.00 0.00 H new ATOM 1719 N GLN B 64 2.784 10.942 6.464 1.00 0.00 N ATOM 1720 CA GLN B 64 3.461 9.731 5.983 1.00 0.00 C ATOM 1721 C GLN B 64 2.717 8.447 6.331 1.00 0.00 C ATOM 1722 O GLN B 64 1.751 8.456 7.083 1.00 0.00 O ATOM 1723 CB GLN B 64 4.871 9.639 6.580 1.00 0.00 C ATOM 1724 CG GLN B 64 5.706 10.903 6.453 1.00 0.00 C ATOM 1725 CD GLN B 64 6.992 10.833 7.259 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.521 11.851 7.698 1.00 0.00 O ATOM 1727 NE2 GLN B 64 7.506 9.629 7.455 1.00 0.00 N ATOM 0 H GLN B 64 2.419 10.886 7.415 1.00 0.00 H new ATOM 0 HA GLN B 64 3.495 9.820 4.897 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.786 9.382 7.636 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.402 8.820 6.094 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.947 11.071 5.403 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.118 11.758 6.786 1.00 0.00 H new ATOM 0 HE21 GLN B 64 7.038 8.806 7.075 1.00 0.00 H new ATOM 0 HE22 GLN B 64 8.370 9.524 7.986 1.00 0.00 H new ATOM 1736 N LEU B 65 3.175 7.348 5.739 1.00 0.00 N ATOM 1737 CA LEU B 65 2.621 6.027 6.001 1.00 0.00 C ATOM 1738 C LEU B 65 3.726 5.131 6.554 1.00 0.00 C ATOM 1739 O LEU B 65 4.885 5.257 6.162 1.00 0.00 O ATOM 1740 CB LEU B 65 2.052 5.385 4.734 1.00 0.00 C ATOM 1741 CG LEU B 65 1.215 4.122 4.982 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.250 4.461 5.165 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.389 3.118 3.864 1.00 0.00 C ATOM 0 H LEU B 65 3.940 7.350 5.065 1.00 0.00 H new ATOM 0 HA LEU B 65 1.808 6.137 6.718 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.435 6.119 4.216 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.877 5.134 4.067 1.00 0.00 H new ATOM 0 HG LEU B 65 1.578 3.669 5.905 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.816 3.546 5.339 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.365 5.127 6.020 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.624 4.954 4.268 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.783 2.235 4.070 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.071 3.564 2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.438 2.830 3.794 1.00 0.00 H new ATOM 1755 N GLN B 66 3.370 4.248 7.467 1.00 0.00 N ATOM 1756 CA GLN B 66 4.321 3.333 8.070 1.00 0.00 C ATOM 1757 C GLN B 66 3.825 1.899 7.961 1.00 0.00 C ATOM 1758 O GLN B 66 2.720 1.587 8.392 1.00 0.00 O ATOM 1759 CB GLN B 66 4.517 3.697 9.538 1.00 0.00 C ATOM 1760 CG GLN B 66 5.632 2.927 10.224 1.00 0.00 C ATOM 1761 CD GLN B 66 5.908 3.437 11.624 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.289 2.996 12.594 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.835 4.375 11.734 1.00 0.00 N ATOM 0 H GLN B 66 2.415 4.144 7.811 1.00 0.00 H new ATOM 0 HA GLN B 66 5.270 3.415 7.541 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.728 4.764 9.612 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.584 3.519 10.073 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.366 1.871 10.271 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.541 3.000 9.627 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.322 4.710 10.903 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.062 4.763 12.650 1.00 0.00 H new ATOM 1772 N LEU B 67 4.627 1.036 7.371 1.00 0.00 N ATOM 1773 CA LEU B 67 4.255 -0.361 7.236 1.00 0.00 C ATOM 1774 C LEU B 67 4.847 -1.184 8.363 1.00 0.00 C ATOM 1775 O LEU B 67 6.053 -1.409 8.394 1.00 0.00 O ATOM 1776 CB LEU B 67 4.741 -0.930 5.908 1.00 0.00 C ATOM 1777 CG LEU B 67 3.973 -0.478 4.674 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.425 -1.282 3.470 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.473 -0.629 4.886 1.00 0.00 C ATOM 0 H LEU B 67 5.538 1.274 6.978 1.00 0.00 H new ATOM 0 HA LEU B 67 3.167 -0.413 7.275 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.789 -0.659 5.780 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.697 -2.018 5.962 1.00 0.00 H new ATOM 0 HG LEU B 67 4.181 0.577 4.496 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.874 -0.957 2.588 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.492 -1.127 3.309 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.235 -2.341 3.647 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.944 -0.300 3.991 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.237 -1.675 5.083 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.163 -0.020 5.735 1.00 0.00 H new ATOM 1791 N VAL B 68 4.011 -1.618 9.292 1.00 0.00 N ATOM 1792 CA VAL B 68 4.482 -2.438 10.393 1.00 0.00 C ATOM 1793 C VAL B 68 4.364 -3.898 10.005 1.00 0.00 C ATOM 1794 O VAL B 68 3.260 -4.429 9.852 1.00 0.00 O ATOM 1795 CB VAL B 68 3.715 -2.171 11.703 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.061 -3.215 12.755 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.043 -0.787 12.223 1.00 0.00 C ATOM 0 H VAL B 68 3.011 -1.418 9.305 1.00 0.00 H new ATOM 0 HA VAL B 68 5.523 -2.177 10.584 1.00 0.00 H new ATOM 0 HB VAL B 68 2.647 -2.233 11.494 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.508 -3.006 13.671 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.793 -4.205 12.387 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.131 -3.182 12.962 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.497 -0.607 13.149 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.114 -0.714 12.414 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.755 -0.042 11.481 1.00 0.00 H new ATOM 1807 N LEU B 69 5.502 -4.539 9.832 1.00 0.00 N ATOM 1808 CA LEU B 69 5.534 -5.927 9.429 1.00 0.00 C ATOM 1809 C LEU B 69 5.243 -6.849 10.615 1.00 0.00 C ATOM 1810 O LEU B 69 4.983 -6.385 11.727 1.00 0.00 O ATOM 1811 CB LEU B 69 6.867 -6.271 8.773 1.00 0.00 C ATOM 1812 CG LEU B 69 7.242 -5.432 7.545 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.081 -6.259 6.594 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.022 -4.872 6.832 1.00 0.00 C ATOM 0 H LEU B 69 6.421 -4.117 9.965 1.00 0.00 H new ATOM 0 HA LEU B 69 4.749 -6.084 8.689 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.656 -6.163 9.518 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.846 -7.321 8.480 1.00 0.00 H new ATOM 0 HG LEU B 69 7.823 -4.578 7.894 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.344 -5.658 5.724 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.991 -6.583 7.099 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.513 -7.132 6.273 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.341 -4.286 5.970 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.387 -5.693 6.498 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.461 -4.235 7.516 1.00 0.00 H new ATOM 1826 N HIS B 70 5.291 -8.149 10.374 1.00 0.00 N ATOM 1827 CA HIS B 70 4.987 -9.138 11.409 1.00 0.00 C ATOM 1828 C HIS B 70 6.069 -9.262 12.483 1.00 0.00 C ATOM 1829 O HIS B 70 5.780 -9.708 13.591 1.00 0.00 O ATOM 1830 CB HIS B 70 4.736 -10.510 10.778 1.00 0.00 C ATOM 1831 CG HIS B 70 3.488 -10.571 9.952 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.287 -10.011 10.328 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.274 -11.132 8.738 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.402 -10.241 9.351 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.950 -10.919 8.364 1.00 0.00 N ATOM 0 H HIS B 70 5.538 -8.550 9.469 1.00 0.00 H new ATOM 0 HA HIS B 70 4.088 -8.777 11.908 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.589 -10.775 10.153 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.676 -11.258 11.568 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.013 -11.660 8.153 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.373 -9.913 9.370 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.497 -11.225 7.503 1.00 0.00 H new ATOM 1843 N ALA B 71 7.301 -8.870 12.181 1.00 0.00 N ATOM 1844 CA ALA B 71 8.379 -8.987 13.160 1.00 0.00 C ATOM 1845 C ALA B 71 8.673 -7.653 13.838 1.00 0.00 C ATOM 1846 O ALA B 71 9.676 -7.509 14.539 1.00 0.00 O ATOM 1847 CB ALA B 71 9.635 -9.540 12.503 1.00 0.00 C ATOM 0 H ALA B 71 7.578 -8.475 11.282 1.00 0.00 H new ATOM 0 HA ALA B 71 8.050 -9.682 13.932 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.429 -9.621 13.246 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.425 -10.526 12.088 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.953 -8.870 11.704 1.00 0.00 H new ATOM 1853 N GLY B 72 7.782 -6.689 13.650 1.00 0.00 N ATOM 1854 CA GLY B 72 7.975 -5.381 14.245 1.00 0.00 C ATOM 1855 C GLY B 72 8.777 -4.479 13.337 1.00 0.00 C ATOM 1856 O GLY B 72 9.349 -3.479 13.772 1.00 0.00 O ATOM 0 H GLY B 72 6.931 -6.789 13.097 1.00 0.00 H new ATOM 0 HA2 GLY B 72 7.006 -4.926 14.450 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.487 -5.486 15.202 1.00 0.00 H new ATOM 1860 N ASP B 73 8.802 -4.841 12.065 1.00 0.00 N ATOM 1861 CA ASP B 73 9.528 -4.094 11.053 1.00 0.00 C ATOM 1862 C ASP B 73 8.678 -2.920 10.623 1.00 0.00 C ATOM 1863 O ASP B 73 7.455 -2.996 10.683 1.00 0.00 O ATOM 1864 CB ASP B 73 9.823 -4.979 9.838 1.00 0.00 C ATOM 1865 CG ASP B 73 10.105 -6.424 10.205 1.00 0.00 C ATOM 1866 OD1 ASP B 73 11.283 -6.830 10.166 1.00 0.00 O ATOM 1867 OD2 ASP B 73 9.137 -7.155 10.527 1.00 0.00 O ATOM 0 H ASP B 73 8.318 -5.663 11.705 1.00 0.00 H new ATOM 0 HA ASP B 73 10.475 -3.750 11.468 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.974 -4.943 9.156 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.680 -4.573 9.301 1.00 0.00 H new ATOM 1872 N THR B 74 9.297 -1.841 10.191 1.00 0.00 N ATOM 1873 CA THR B 74 8.530 -0.678 9.783 1.00 0.00 C ATOM 1874 C THR B 74 9.158 0.037 8.596 1.00 0.00 C ATOM 1875 O THR B 74 10.358 0.321 8.589 1.00 0.00 O ATOM 1876 CB THR B 74 8.387 0.336 10.940 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.676 0.617 11.501 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.464 -0.181 12.030 1.00 0.00 C ATOM 0 H THR B 74 10.309 -1.743 10.113 1.00 0.00 H new ATOM 0 HA THR B 74 7.549 -1.054 9.494 1.00 0.00 H new ATOM 0 HB THR B 74 7.950 1.247 10.530 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.346 0.638 10.786 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.389 0.560 12.826 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.474 -0.365 11.612 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.865 -1.110 12.436 1.00 0.00 H new ATOM 1886 N THR B 75 8.339 0.317 7.597 1.00 0.00 N ATOM 1887 CA THR B 75 8.783 1.033 6.414 1.00 0.00 C ATOM 1888 C THR B 75 8.057 2.373 6.341 1.00 0.00 C ATOM 1889 O THR B 75 6.826 2.412 6.337 1.00 0.00 O ATOM 1890 CB THR B 75 8.504 0.219 5.139 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.552 -1.183 5.442 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.524 0.544 4.060 1.00 0.00 C ATOM 0 H THR B 75 7.353 0.056 7.583 1.00 0.00 H new ATOM 0 HA THR B 75 9.859 1.194 6.483 1.00 0.00 H new ATOM 0 HB THR B 75 7.513 0.481 4.770 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.003 -1.660 4.714 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.308 -0.043 3.167 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.472 1.606 3.818 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.524 0.302 4.420 1.00 0.00 H new ATOM 1900 N ASN B 76 8.810 3.465 6.298 1.00 0.00 N ATOM 1901 CA ASN B 76 8.214 4.796 6.264 1.00 0.00 C ATOM 1902 C ASN B 76 8.141 5.372 4.862 1.00 0.00 C ATOM 1903 O ASN B 76 9.153 5.510 4.178 1.00 0.00 O ATOM 1904 CB ASN B 76 8.986 5.765 7.156 1.00 0.00 C ATOM 1905 CG ASN B 76 8.450 5.811 8.570 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.370 5.301 8.859 1.00 0.00 O ATOM 1907 ND2 ASN B 76 9.195 6.436 9.456 1.00 0.00 N ATOM 0 H ASN B 76 9.830 3.457 6.286 1.00 0.00 H new ATOM 0 HA ASN B 76 7.196 4.676 6.636 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.036 5.473 7.179 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.943 6.764 6.723 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.882 6.511 10.424 1.00 0.00 H new ATOM 0 HD22 ASN B 76 10.086 6.846 9.175 1.00 0.00 H new ATOM 1914 N PHE B 77 6.934 5.725 4.454 1.00 0.00 N ATOM 1915 CA PHE B 77 6.700 6.319 3.151 1.00 0.00 C ATOM 1916 C PHE B 77 6.150 7.726 3.331 1.00 0.00 C ATOM 1917 O PHE B 77 4.993 7.906 3.708 1.00 0.00 O ATOM 1918 CB PHE B 77 5.725 5.467 2.339 1.00 0.00 C ATOM 1919 CG PHE B 77 6.228 4.080 2.072 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.572 2.978 2.596 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.360 3.877 1.299 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.034 1.701 2.354 1.00 0.00 C ATOM 1923 CE2 PHE B 77 7.827 2.600 1.054 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.163 1.512 1.582 1.00 0.00 C ATOM 0 H PHE B 77 6.091 5.608 5.016 1.00 0.00 H new ATOM 0 HA PHE B 77 7.643 6.366 2.606 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.776 5.405 2.872 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.525 5.962 1.389 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.689 3.120 3.201 1.00 0.00 H new ATOM 0 HD2 PHE B 77 7.883 4.726 0.884 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.513 0.850 2.768 1.00 0.00 H new ATOM 0 HE2 PHE B 77 8.710 2.454 0.450 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.526 0.513 1.392 1.00 0.00 H new ATOM 1934 N HIS B 78 6.992 8.715 3.088 1.00 0.00 N ATOM 1935 CA HIS B 78 6.602 10.109 3.235 1.00 0.00 C ATOM 1936 C HIS B 78 5.970 10.635 1.955 1.00 0.00 C ATOM 1937 O HIS B 78 6.591 10.622 0.894 1.00 0.00 O ATOM 1938 CB HIS B 78 7.828 10.957 3.619 1.00 0.00 C ATOM 1939 CG HIS B 78 7.634 12.448 3.519 1.00 0.00 C ATOM 1940 ND1 HIS B 78 6.519 13.209 3.678 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 8.649 13.327 3.217 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 6.845 14.544 3.470 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.134 14.562 3.197 1.00 0.00 N flip ATOM 0 H HIS B 78 7.957 8.578 2.786 1.00 0.00 H new ATOM 0 HA HIS B 78 5.858 10.179 4.029 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.113 10.712 4.642 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.662 10.672 2.978 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.680 13.066 3.029 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.179 15.392 3.522 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.669 15.407 2.997 1.00 0.00 H new ATOM 1951 N PHE B 79 4.736 11.098 2.065 1.00 0.00 N ATOM 1952 CA PHE B 79 4.033 11.659 0.927 1.00 0.00 C ATOM 1953 C PHE B 79 4.487 13.098 0.728 1.00 0.00 C ATOM 1954 O PHE B 79 3.801 14.041 1.115 1.00 0.00 O ATOM 1955 CB PHE B 79 2.520 11.603 1.143 1.00 0.00 C ATOM 1956 CG PHE B 79 1.981 10.210 1.312 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.869 9.645 2.572 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.581 9.469 0.213 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.368 8.368 2.733 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.081 8.191 0.367 1.00 0.00 C ATOM 1961 CZ PHE B 79 0.973 7.640 1.627 1.00 0.00 C ATOM 0 H PHE B 79 4.201 11.096 2.933 1.00 0.00 H new ATOM 0 HA PHE B 79 4.264 11.074 0.037 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.267 12.190 2.026 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.024 12.074 0.294 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.177 10.210 3.439 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.661 9.895 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.285 7.940 3.721 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.775 7.623 -0.499 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.580 6.641 1.749 1.00 0.00 H new ATOM 1971 N SER B 80 5.662 13.250 0.140 1.00 0.00 N ATOM 1972 CA SER B 80 6.252 14.558 -0.109 1.00 0.00 C ATOM 1973 C SER B 80 5.617 15.255 -1.313 1.00 0.00 C ATOM 1974 O SER B 80 6.230 16.123 -1.935 1.00 0.00 O ATOM 1975 CB SER B 80 7.758 14.395 -0.320 1.00 0.00 C ATOM 1976 OG SER B 80 8.058 13.127 -0.882 1.00 0.00 O ATOM 0 H SER B 80 6.236 12.470 -0.179 1.00 0.00 H new ATOM 0 HA SER B 80 6.063 15.190 0.759 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.124 15.184 -0.977 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.277 14.507 0.632 1.00 0.00 H new ATOM 0 HG SER B 80 7.405 12.917 -1.582 1.00 0.00 H new ATOM 1982 N ASN B 81 4.396 14.871 -1.642 1.00 0.00 N ATOM 1983 CA ASN B 81 3.685 15.472 -2.754 1.00 0.00 C ATOM 1984 C ASN B 81 2.810 16.598 -2.228 1.00 0.00 C ATOM 1985 O ASN B 81 1.670 16.378 -1.832 1.00 0.00 O ATOM 1986 CB ASN B 81 2.841 14.426 -3.486 1.00 0.00 C ATOM 1987 CG ASN B 81 2.555 14.811 -4.925 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.209 15.684 -5.492 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.589 14.149 -5.534 1.00 0.00 N ATOM 0 H ASN B 81 3.876 14.143 -1.152 1.00 0.00 H new ATOM 0 HA ASN B 81 4.403 15.874 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.360 13.467 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN B 81 1.898 14.289 -2.956 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.364 14.356 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.067 13.431 -5.031 1.00 0.00 H new ATOM 1996 N GLU B 82 3.361 17.802 -2.226 1.00 0.00 N ATOM 1997 CA GLU B 82 2.680 18.993 -1.718 1.00 0.00 C ATOM 1998 C GLU B 82 1.277 19.182 -2.306 1.00 0.00 C ATOM 1999 O GLU B 82 0.416 19.809 -1.687 1.00 0.00 O ATOM 2000 CB GLU B 82 3.542 20.237 -1.986 1.00 0.00 C ATOM 2001 CG GLU B 82 3.742 20.571 -3.463 1.00 0.00 C ATOM 2002 CD GLU B 82 4.701 19.632 -4.182 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.451 18.893 -3.511 1.00 0.00 O ATOM 2004 OE2 GLU B 82 4.694 19.619 -5.429 1.00 0.00 O ATOM 0 H GLU B 82 4.300 17.986 -2.579 1.00 0.00 H new ATOM 0 HA GLU B 82 2.548 18.852 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.082 21.094 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.519 20.091 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU B 82 2.775 20.543 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.116 21.591 -3.548 1.00 0.00 H new ATOM 2011 N SER B 83 1.040 18.624 -3.482 1.00 0.00 N ATOM 2012 CA SER B 83 -0.248 18.755 -4.138 1.00 0.00 C ATOM 2013 C SER B 83 -1.314 17.826 -3.540 1.00 0.00 C ATOM 2014 O SER B 83 -2.422 18.268 -3.212 1.00 0.00 O ATOM 2015 CB SER B 83 -0.084 18.472 -5.631 1.00 0.00 C ATOM 2016 OG SER B 83 0.924 17.497 -5.852 1.00 0.00 O ATOM 0 H SER B 83 1.725 18.075 -4.002 1.00 0.00 H new ATOM 0 HA SER B 83 -0.596 19.776 -3.981 1.00 0.00 H new ATOM 0 HB2 SER B 83 -1.030 18.124 -6.046 1.00 0.00 H new ATOM 0 HB3 SER B 83 0.174 19.393 -6.154 1.00 0.00 H new ATOM 0 HG SER B 83 1.012 17.329 -6.814 1.00 0.00 H new ATOM 2022 N THR B 84 -0.989 16.548 -3.379 1.00 0.00 N ATOM 2023 CA THR B 84 -1.962 15.587 -2.873 1.00 0.00 C ATOM 2024 C THR B 84 -1.421 14.693 -1.752 1.00 0.00 C ATOM 2025 O THR B 84 -1.854 13.559 -1.622 1.00 0.00 O ATOM 2026 CB THR B 84 -2.454 14.698 -4.029 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.413 14.566 -5.003 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.694 15.286 -4.687 1.00 0.00 C ATOM 0 H THR B 84 -0.071 16.157 -3.589 1.00 0.00 H new ATOM 0 HA THR B 84 -2.777 16.171 -2.446 1.00 0.00 H new ATOM 0 HB THR B 84 -2.714 13.720 -3.624 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.694 14.008 -4.640 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.018 14.636 -5.500 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.492 15.370 -3.949 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.461 16.274 -5.084 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.531 15.223 -0.920 1.00 0.00 N ATOM 2037 CA ALA B 85 0.071 14.455 0.179 1.00 0.00 C ATOM 2038 C ALA B 85 -0.977 13.740 1.024 1.00 0.00 C ATOM 2039 O ALA B 85 -1.024 12.513 1.071 1.00 0.00 O ATOM 2040 CB ALA B 85 0.907 15.366 1.064 1.00 0.00 C ATOM 0 H ALA B 85 -0.205 16.187 -0.982 1.00 0.00 H new ATOM 0 HA ALA B 85 0.708 13.695 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.347 14.783 1.874 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.701 15.820 0.471 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.274 16.148 1.482 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.812 14.523 1.690 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.871 13.987 2.535 1.00 0.00 C ATOM 2048 C VAL B 86 -3.832 13.113 1.722 1.00 0.00 C ATOM 2049 O VAL B 86 -4.252 12.047 2.164 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.662 15.135 3.198 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.875 14.612 3.950 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.782 15.930 4.135 1.00 0.00 C ATOM 0 H VAL B 86 -1.776 15.542 1.661 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.404 13.374 3.306 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.008 15.790 2.399 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.409 15.447 4.404 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.536 14.092 3.257 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.551 13.922 4.729 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.364 16.732 4.588 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.397 15.275 4.916 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.949 16.357 3.577 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.127 13.562 0.508 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.048 12.858 -0.383 1.00 0.00 C ATOM 2064 C LYS B 87 -4.530 11.464 -0.741 1.00 0.00 C ATOM 2065 O LYS B 87 -5.239 10.470 -0.583 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.285 13.672 -1.661 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.993 15.004 -1.433 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.008 16.164 -1.353 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.679 17.495 -1.664 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.695 18.613 -1.751 1.00 0.00 N ATOM 0 H LYS B 87 -3.739 14.419 0.113 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.992 12.741 0.148 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.325 13.861 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.876 13.074 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.700 15.183 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.572 14.955 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.570 16.201 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -4.190 15.996 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.221 17.416 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.414 17.719 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.142 19.434 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.382 18.875 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.874 18.310 -2.313 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.291 11.396 -1.218 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.682 10.126 -1.589 1.00 0.00 C ATOM 2086 C GLU B 88 -2.479 9.268 -0.351 1.00 0.00 C ATOM 2087 O GLU B 88 -2.536 8.041 -0.417 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.355 10.359 -2.315 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.523 11.068 -3.649 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.218 11.579 -4.221 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.449 10.837 -4.971 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.130 12.743 -3.935 1.00 0.00 O ATOM 0 H GLU B 88 -2.689 12.208 -1.356 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.350 9.599 -2.271 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.697 10.949 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.864 9.400 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.981 10.383 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.210 11.905 -3.524 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.256 9.929 0.781 1.00 0.00 N ATOM 2100 CA ARG B 89 -2.079 9.245 2.054 1.00 0.00 C ATOM 2101 C ARG B 89 -3.290 8.375 2.335 1.00 0.00 C ATOM 2102 O ARG B 89 -3.164 7.182 2.589 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.902 10.266 3.187 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.583 9.659 4.551 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.833 9.277 5.341 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.889 10.295 5.287 1.00 0.00 N ATOM 2107 CZ ARG B 89 -4.214 11.099 6.303 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.487 11.115 7.414 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -5.265 11.897 6.196 1.00 0.00 N ATOM 0 H ARG B 89 -2.194 10.945 0.840 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.186 8.622 2.000 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.102 10.954 2.915 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.815 10.856 3.272 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.963 8.773 4.412 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.997 10.371 5.131 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.225 8.336 4.954 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.558 9.104 6.381 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.409 10.395 4.415 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.671 10.509 7.498 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.745 11.733 8.183 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.822 11.896 5.341 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.518 12.513 6.968 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.461 8.991 2.263 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.720 8.302 2.516 1.00 0.00 C ATOM 2125 C ASP B 90 -5.986 7.233 1.467 1.00 0.00 C ATOM 2126 O ASP B 90 -6.543 6.185 1.778 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.873 9.303 2.554 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.937 10.037 3.874 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -6.453 11.182 3.944 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -7.440 9.451 4.854 1.00 0.00 O ATOM 0 H ASP B 90 -4.566 9.978 2.029 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.644 7.810 3.486 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.756 10.022 1.744 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.814 8.780 2.383 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.574 7.487 0.227 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.773 6.528 -0.846 1.00 0.00 C ATOM 2137 C ALA B 91 -4.998 5.246 -0.571 1.00 0.00 C ATOM 2138 O ALA B 91 -5.528 4.149 -0.725 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.356 7.128 -2.181 1.00 0.00 C ATOM 0 H ALA B 91 -5.103 8.347 -0.054 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.834 6.283 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.512 6.396 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.955 8.016 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.302 7.403 -2.143 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.748 5.391 -0.145 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.910 4.238 0.162 1.00 0.00 C ATOM 2147 C VAL B 92 -3.381 3.601 1.454 1.00 0.00 C ATOM 2148 O VAL B 92 -3.441 2.384 1.584 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.427 4.635 0.325 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.558 3.408 0.562 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.939 5.408 -0.883 1.00 0.00 C ATOM 0 H VAL B 92 -3.294 6.293 -0.005 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.994 3.539 -0.670 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.348 5.282 1.199 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.482 3.715 0.674 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.886 2.900 1.469 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.647 2.730 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.108 5.676 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.040 4.790 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.533 6.314 -1.000 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.758 4.458 2.379 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.212 4.057 3.693 1.00 0.00 C ATOM 2163 C LYS B 93 -5.476 3.210 3.607 1.00 0.00 C ATOM 2164 O LYS B 93 -5.519 2.093 4.119 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.434 5.326 4.517 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.510 5.237 5.578 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.717 6.588 6.234 1.00 0.00 C ATOM 2168 CE LYS B 93 -7.101 6.709 6.833 1.00 0.00 C ATOM 2169 NZ LYS B 93 -8.106 7.173 5.838 1.00 0.00 N ATOM 0 H LYS B 93 -3.758 5.468 2.237 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.462 3.431 4.176 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.494 5.593 5.000 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.686 6.140 3.837 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.444 4.896 5.131 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.229 4.500 6.330 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.969 6.734 7.013 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.568 7.378 5.497 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.408 5.742 7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.073 7.406 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.050 7.176 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.866 8.135 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.105 6.532 5.019 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.488 3.732 2.933 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.757 3.033 2.791 1.00 0.00 C ATOM 2185 C ASP B 94 -7.634 1.801 1.907 1.00 0.00 C ATOM 2186 O ASP B 94 -8.279 0.780 2.157 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.827 3.977 2.254 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.583 4.663 3.374 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.977 5.477 4.099 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.782 4.365 3.556 1.00 0.00 O ATOM 0 H ASP B 94 -6.456 4.642 2.473 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.054 2.690 3.782 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.362 4.728 1.615 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.526 3.418 1.632 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.791 1.881 0.898 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.599 0.755 -0.006 1.00 0.00 C ATOM 2197 C LEU B 95 -5.807 -0.330 0.697 1.00 0.00 C ATOM 2198 O LEU B 95 -5.970 -1.513 0.409 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.897 1.186 -1.296 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.141 0.272 -2.498 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.628 0.168 -2.800 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.387 0.778 -3.717 1.00 0.00 C ATOM 0 H LEU B 95 -6.230 2.705 0.680 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.578 0.364 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.225 2.194 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.824 1.238 -1.109 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.769 -0.722 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.780 -0.487 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.147 -0.243 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.024 1.158 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.573 0.114 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.727 1.784 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.319 0.799 -3.501 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.956 0.071 1.631 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.181 -0.889 2.386 1.00 0.00 C ATOM 2216 C LEU B 96 -5.106 -1.681 3.295 1.00 0.00 C ATOM 2217 O LEU B 96 -5.135 -2.895 3.209 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.066 -0.221 3.172 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.743 -0.104 2.418 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.690 0.548 3.291 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.266 -1.467 1.944 1.00 0.00 C ATOM 0 H LEU B 96 -4.789 1.046 1.879 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.699 -1.573 1.688 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.392 0.777 3.465 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.898 -0.784 4.090 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.908 0.524 1.542 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.246 0.623 2.737 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.023 1.545 3.579 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.535 -0.055 4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.322 -1.357 1.410 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.122 -2.121 2.804 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.011 -1.902 1.278 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.879 -1.003 4.161 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.842 -1.704 5.015 1.00 0.00 C ATOM 2235 C GLN B 97 -7.769 -2.587 4.177 1.00 0.00 C ATOM 2236 O GLN B 97 -8.387 -3.519 4.687 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.659 -0.705 5.836 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.839 0.637 5.169 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.978 1.775 6.157 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.556 2.815 5.852 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.488 1.576 7.354 1.00 0.00 N ATOM 0 H GLN B 97 -5.855 0.009 4.284 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.285 -2.343 5.700 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.641 -1.133 6.038 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.171 -0.558 6.800 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.986 0.830 4.518 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.724 0.605 4.534 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.014 0.699 7.572 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.580 2.297 8.069 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.887 -2.258 2.900 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.698 -3.030 1.970 1.00 0.00 C ATOM 2252 C GLN B 98 -7.957 -4.271 1.449 1.00 0.00 C ATOM 2253 O GLN B 98 -8.496 -5.375 1.469 1.00 0.00 O ATOM 2254 CB GLN B 98 -9.120 -2.138 0.794 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.447 -1.427 1.001 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.911 -1.465 2.441 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.665 -2.347 2.846 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -10.442 -0.518 3.233 1.00 0.00 N ATOM 0 H GLN B 98 -7.425 -1.451 2.480 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.579 -3.380 2.507 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.344 -1.393 0.620 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.183 -2.748 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.352 -0.389 0.681 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.204 -1.888 0.367 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.818 0.197 2.859 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.704 -0.502 4.219 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.725 -4.084 0.989 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.937 -5.180 0.416 1.00 0.00 C ATOM 2269 C LEU B 99 -5.109 -5.967 1.444 1.00 0.00 C ATOM 2270 O LEU B 99 -5.005 -7.188 1.347 1.00 0.00 O ATOM 2271 CB LEU B 99 -5.013 -4.627 -0.663 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.735 -3.956 -1.825 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.789 -3.047 -2.591 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.343 -4.997 -2.751 1.00 0.00 C ATOM 0 H LEU B 99 -6.246 -3.184 1.000 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.655 -5.887 0.000 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.333 -3.906 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.401 -5.441 -1.052 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.542 -3.346 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.324 -2.578 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.404 -2.276 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.959 -3.634 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.854 -4.498 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.554 -5.636 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.057 -5.605 -2.196 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.531 -5.264 2.416 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.667 -5.870 3.442 1.00 0.00 C ATOM 2288 C LEU B 100 -4.232 -7.170 4.043 1.00 0.00 C ATOM 2289 O LEU B 100 -3.545 -8.192 4.023 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.351 -4.859 4.558 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.141 -3.956 4.296 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.005 -2.876 5.371 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -0.876 -4.792 4.216 1.00 0.00 C ATOM 0 H LEU B 100 -4.645 -4.256 2.519 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.747 -6.146 2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.227 -4.229 4.715 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.182 -5.406 5.485 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.295 -3.452 3.342 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.137 -2.254 5.154 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.902 -2.257 5.380 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.879 -3.347 6.346 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.021 -4.142 4.030 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.730 -5.322 5.157 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -0.967 -5.513 3.404 1.00 0.00 H new