USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 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: A 414 LYS NZ :NH3+ -150:sc= 1.09 (180deg=-2.89!) USER MOD Set 1.2: B 97 GLN : amide:sc= -6.65! C(o=-8.2!,f=-21!) USER MOD Set 1.3: B 98 GLN : amide:sc= -2.61! C(o=-8.2!,f=-13!) USER MOD Set 2.1: B 14 LYS NZ :NH3+ -168:sc= -0.624! (180deg=-1.63!) USER MOD Set 2.2: B 81 ASN : amide:sc= 0.514! C(o=-0.11!,f=-18!) USER MOD Set 3.1: B 66 GLN : amide:sc= 0.957 K(o=-3.5,f=-1.6) USER MOD Set 3.2: B 76 ASN : amide:sc= -4.43! C(o=-3.5!,f=-1.6!) USER MOD Set 4.1: B 56 SER OG : rot 139:sc= -1.44 USER MOD Set 4.2: B 64 GLN : amide:sc= -2.46! X(o=-7.3!,f=-6.8) USER MOD Set 4.3: B 78 HIS : no HD1:sc= -3.43! C(o=-7.3!,f=-6.8!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.22! C(o=-0.068!,f=-3!) USER MOD Set 5.2: B 75 THR OG1 : rot -147:sc= 1.16 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -143:sc= 0.91 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 145:sc= 0.787 USER MOD Single : B 17 GLN : amide:sc= -0.967 K(o=-0.97,f=-1.7) USER MOD Single : B 18 LYS NZ :NH3+ -163:sc= 0.815 (180deg=0.193) USER MOD Single : B 19 LYS NZ :NH3+ -158:sc= -0.126 (180deg=-0.65) USER MOD Single : B 20 GLN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : B 27 MET CE :methyl -161:sc= -1.45 (180deg=-2.09!) USER MOD Single : B 42 THR OG1 : rot -15:sc= 0.221 USER MOD Single : B 44 SER OG : rot 180:sc= 0.366 USER MOD Single : B 46 MET CE :methyl -153:sc= -0.293 (180deg=-1.17!) USER MOD Single : B 47 TYR OH : rot 151:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ -166:sc= 1.78 (180deg=1.52) USER MOD Single : B 52 CYS SG : rot 126:sc= 1.2 USER MOD Single : B 53 GLN : amide:sc= -5.69! C(o=-5.7!,f=-6.6!) USER MOD Single : B 54 LYS NZ :NH3+ 160:sc= 0.37 (180deg=-1.59!) USER MOD Single : B 60 LYS NZ :NH3+ -170:sc= 0.621 (180deg=0.341) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.161 K(o=0.16,f=-2.2) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 145:sc= -0.163 USER MOD Single : B 83 SER OG : rot 61:sc= 0.63 USER MOD Single : B 84 THR OG1 : rot 41:sc= 1.21 USER MOD Single : B 87 LYS NZ :NH3+ 168:sc= 0.859 (180deg=0.405) USER MOD Single : B 93 LYS NZ :NH3+ -157:sc= 2.38 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.699 9.480 12.180 1.00 0.00 N ATOM 230 CA ASP A 405 9.534 8.043 12.381 1.00 0.00 C ATOM 231 C ASP A 405 8.518 7.764 13.472 1.00 0.00 C ATOM 232 O ASP A 405 8.149 6.614 13.715 1.00 0.00 O ATOM 233 CB ASP A 405 10.870 7.381 12.739 1.00 0.00 C ATOM 234 CG ASP A 405 11.832 7.302 11.568 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.383 7.373 10.403 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.053 7.173 11.806 1.00 0.00 O ATOM 0 HA ASP A 405 9.173 7.620 11.444 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.339 7.940 13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.681 6.375 13.114 1.00 0.00 H new ATOM 241 N GLU A 406 8.056 8.817 14.122 1.00 0.00 N ATOM 242 CA GLU A 406 7.084 8.676 15.186 1.00 0.00 C ATOM 243 C GLU A 406 5.784 9.360 14.827 1.00 0.00 C ATOM 244 O GLU A 406 5.653 9.921 13.744 1.00 0.00 O ATOM 245 CB GLU A 406 7.610 9.239 16.513 1.00 0.00 C ATOM 246 CG GLU A 406 8.499 10.476 16.392 1.00 0.00 C ATOM 247 CD GLU A 406 7.972 11.540 15.442 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.382 11.537 14.265 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.153 12.380 15.868 1.00 0.00 O ATOM 0 H GLU A 406 8.339 9.778 13.930 1.00 0.00 H new ATOM 0 HA GLU A 406 6.904 7.608 15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 406 6.758 9.485 17.147 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.172 8.457 17.023 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.622 10.918 17.381 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.489 10.165 16.057 1.00 0.00 H new ATOM 256 N ASP A 407 4.832 9.292 15.747 1.00 0.00 N ATOM 257 CA ASP A 407 3.535 9.899 15.581 1.00 0.00 C ATOM 258 C ASP A 407 2.847 9.398 14.323 1.00 0.00 C ATOM 259 O ASP A 407 2.668 10.133 13.361 1.00 0.00 O ATOM 260 CB ASP A 407 3.614 11.422 15.613 1.00 0.00 C ATOM 261 CG ASP A 407 2.244 12.074 15.647 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.104 13.188 15.096 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.311 11.472 16.221 1.00 0.00 O ATOM 0 H ASP A 407 4.948 8.807 16.637 1.00 0.00 H new ATOM 0 HA ASP A 407 2.923 9.595 16.430 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.184 11.735 16.488 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.158 11.773 14.736 1.00 0.00 H new ATOM 268 N PHE A 408 2.561 8.101 14.309 1.00 0.00 N ATOM 269 CA PHE A 408 1.831 7.480 13.228 1.00 0.00 C ATOM 270 C PHE A 408 0.625 6.823 13.834 1.00 0.00 C ATOM 271 O PHE A 408 0.735 6.026 14.768 1.00 0.00 O ATOM 272 CB PHE A 408 2.655 6.423 12.474 1.00 0.00 C ATOM 273 CG PHE A 408 3.715 6.969 11.571 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.597 6.840 10.199 1.00 0.00 C ATOM 275 CD2 PHE A 408 4.824 7.608 12.085 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.560 7.345 9.358 1.00 0.00 C ATOM 277 CE2 PHE A 408 5.792 8.112 11.248 1.00 0.00 C ATOM 278 CZ PHE A 408 5.658 7.982 9.884 1.00 0.00 C ATOM 0 H PHE A 408 2.832 7.456 15.051 1.00 0.00 H new ATOM 0 HA PHE A 408 1.569 8.246 12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.125 5.764 13.203 1.00 0.00 H new ATOM 0 HB3 PHE A 408 1.976 5.810 11.882 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.737 6.336 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 408 4.933 7.714 13.154 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.454 7.242 8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.657 8.610 11.661 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.417 8.381 9.227 1.00 0.00 H new ATOM 288 N VAL A 409 -0.517 7.159 13.307 1.00 0.00 N ATOM 289 CA VAL A 409 -1.744 6.624 13.790 1.00 0.00 C ATOM 290 C VAL A 409 -1.974 5.300 13.132 1.00 0.00 C ATOM 291 O VAL A 409 -2.026 5.202 11.910 1.00 0.00 O ATOM 292 CB VAL A 409 -2.860 7.644 13.564 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.612 8.738 14.533 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.845 8.230 12.189 1.00 0.00 C ATOM 0 H VAL A 409 -0.617 7.812 12.530 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.719 6.441 14.864 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.824 7.152 13.690 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.380 9.504 14.422 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.641 8.339 15.547 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.632 9.177 14.344 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.660 8.946 12.090 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.895 8.736 12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.969 7.435 11.453 1.00 0.00 H new ATOM 304 N GLU A 410 -2.059 4.278 13.955 1.00 0.00 N ATOM 305 CA GLU A 410 -2.199 2.937 13.459 1.00 0.00 C ATOM 306 C GLU A 410 -3.392 2.804 12.535 1.00 0.00 C ATOM 307 O GLU A 410 -4.528 3.111 12.900 1.00 0.00 O ATOM 308 CB GLU A 410 -2.304 1.926 14.593 1.00 0.00 C ATOM 309 CG GLU A 410 -2.056 0.504 14.123 1.00 0.00 C ATOM 310 CD GLU A 410 -0.787 -0.087 14.701 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.034 -0.745 13.953 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.501 0.145 15.894 1.00 0.00 O ATOM 0 H GLU A 410 -2.033 4.356 14.972 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.296 2.721 12.888 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.584 2.180 15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.295 1.990 15.043 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.904 -0.121 14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.996 0.490 13.035 1.00 0.00 H new ATOM 319 N VAL A 411 -3.105 2.362 11.334 1.00 0.00 N ATOM 320 CA VAL A 411 -4.104 2.153 10.332 1.00 0.00 C ATOM 321 C VAL A 411 -4.579 0.713 10.404 1.00 0.00 C ATOM 322 O VAL A 411 -3.814 -0.226 10.142 1.00 0.00 O ATOM 323 CB VAL A 411 -3.587 2.461 8.917 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.744 2.497 7.950 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.844 3.757 8.903 1.00 0.00 C ATOM 0 H VAL A 411 -2.158 2.137 11.029 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.927 2.840 10.528 1.00 0.00 H new ATOM 0 HB VAL A 411 -2.897 1.675 8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.374 2.716 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.247 1.530 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.448 3.272 8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.485 3.960 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.508 4.561 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.996 3.697 9.585 1.00 0.00 H new ATOM 335 N PRO A 412 -5.834 0.530 10.812 1.00 0.00 N ATOM 336 CA PRO A 412 -6.448 -0.787 10.940 1.00 0.00 C ATOM 337 C PRO A 412 -6.895 -1.335 9.596 1.00 0.00 C ATOM 338 O PRO A 412 -6.939 -0.608 8.606 1.00 0.00 O ATOM 339 CB PRO A 412 -7.663 -0.501 11.819 1.00 0.00 C ATOM 340 CG PRO A 412 -8.053 0.885 11.437 1.00 0.00 C ATOM 341 CD PRO A 412 -6.765 1.610 11.190 1.00 0.00 C ATOM 0 HA PRO A 412 -5.764 -1.532 11.346 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.469 -1.210 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.417 -0.571 12.879 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.680 0.885 10.546 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.627 1.364 12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.866 2.350 10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.425 2.141 12.079 1.00 0.00 H new ATOM 349 N GLU A 413 -7.230 -2.610 9.569 1.00 0.00 N ATOM 350 CA GLU A 413 -7.690 -3.254 8.352 1.00 0.00 C ATOM 351 C GLU A 413 -9.198 -3.080 8.238 1.00 0.00 C ATOM 352 O GLU A 413 -9.880 -2.932 9.253 1.00 0.00 O ATOM 353 CB GLU A 413 -7.332 -4.738 8.381 1.00 0.00 C ATOM 354 CG GLU A 413 -6.106 -5.047 9.221 1.00 0.00 C ATOM 355 CD GLU A 413 -5.044 -5.792 8.446 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.309 -5.153 7.668 1.00 0.00 O ATOM 357 OE2 GLU A 413 -4.930 -7.022 8.616 1.00 0.00 O ATOM 0 H GLU A 413 -7.192 -3.225 10.382 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.205 -2.797 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.181 -5.301 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.161 -5.083 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.687 -4.116 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.403 -5.640 10.086 1.00 0.00 H new ATOM 364 N LYS A 414 -9.726 -3.084 7.023 1.00 0.00 N ATOM 365 CA LYS A 414 -11.161 -2.921 6.855 1.00 0.00 C ATOM 366 C LYS A 414 -11.802 -4.122 6.176 1.00 0.00 C ATOM 367 O LYS A 414 -12.810 -4.628 6.662 1.00 0.00 O ATOM 368 CB LYS A 414 -11.470 -1.656 6.065 1.00 0.00 C ATOM 369 CG LYS A 414 -11.560 -0.414 6.932 1.00 0.00 C ATOM 370 CD LYS A 414 -10.805 0.740 6.308 1.00 0.00 C ATOM 371 CE LYS A 414 -11.552 1.335 5.133 1.00 0.00 C ATOM 372 NZ LYS A 414 -10.672 2.188 4.291 1.00 0.00 N ATOM 0 H LYS A 414 -9.197 -3.196 6.158 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.588 -2.837 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.697 -1.509 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.412 -1.789 5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.605 -0.137 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.154 -0.626 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.636 1.512 7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.825 0.396 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.970 0.533 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.390 1.928 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.237 2.941 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -9.931 2.613 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.231 1.607 3.550 1.00 0.00 H new ATOM 786 N VAL B 8 -0.136 -2.577 -11.196 1.00 0.00 N ATOM 787 CA VAL B 8 -0.206 -1.441 -10.295 1.00 0.00 C ATOM 788 C VAL B 8 -1.642 -0.955 -10.166 1.00 0.00 C ATOM 789 O VAL B 8 -2.267 -0.572 -11.153 1.00 0.00 O ATOM 790 CB VAL B 8 0.678 -0.274 -10.779 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.883 0.736 -9.662 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.015 -0.784 -11.295 1.00 0.00 C ATOM 0 HA VAL B 8 0.162 -1.776 -9.325 1.00 0.00 H new ATOM 0 HB VAL B 8 0.166 0.223 -11.603 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.509 1.553 -10.021 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.083 1.131 -9.346 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.370 0.250 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.621 0.058 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.537 -1.310 -10.496 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.847 -1.465 -12.129 1.00 0.00 H new ATOM 802 N LEU B 9 -2.160 -0.984 -8.950 1.00 0.00 N ATOM 803 CA LEU B 9 -3.521 -0.548 -8.688 1.00 0.00 C ATOM 804 C LEU B 9 -3.535 0.909 -8.243 1.00 0.00 C ATOM 805 O LEU B 9 -4.479 1.645 -8.520 1.00 0.00 O ATOM 806 CB LEU B 9 -4.171 -1.420 -7.609 1.00 0.00 C ATOM 807 CG LEU B 9 -4.103 -2.931 -7.847 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.785 -3.675 -6.709 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.742 -3.297 -9.178 1.00 0.00 C ATOM 0 H LEU B 9 -1.655 -1.307 -8.124 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.091 -0.647 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.695 -1.199 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.218 -1.132 -7.517 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.054 -3.226 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.729 -4.748 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.285 -3.440 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.830 -3.371 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.682 -4.375 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.787 -2.988 -9.177 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.215 -2.790 -9.986 1.00 0.00 H new ATOM 821 N LEU B 10 -2.481 1.324 -7.549 1.00 0.00 N ATOM 822 CA LEU B 10 -2.395 2.699 -7.064 1.00 0.00 C ATOM 823 C LEU B 10 -1.029 3.303 -7.355 1.00 0.00 C ATOM 824 O LEU B 10 -0.001 2.683 -7.097 1.00 0.00 O ATOM 825 CB LEU B 10 -2.678 2.748 -5.565 1.00 0.00 C ATOM 826 CG LEU B 10 -3.087 4.123 -5.031 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.491 4.491 -5.486 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.002 4.151 -3.517 1.00 0.00 C ATOM 0 H LEU B 10 -1.682 0.737 -7.311 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.146 3.288 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.470 2.035 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.787 2.417 -5.031 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.394 4.860 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.756 5.472 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.526 4.516 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.199 3.749 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.296 5.136 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.670 3.397 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.979 3.941 -3.206 1.00 0.00 H new ATOM 840 N ILE B 11 -1.025 4.520 -7.884 1.00 0.00 N ATOM 841 CA ILE B 11 0.218 5.205 -8.211 1.00 0.00 C ATOM 842 C ILE B 11 0.316 6.541 -7.482 1.00 0.00 C ATOM 843 O ILE B 11 -0.462 7.457 -7.739 1.00 0.00 O ATOM 844 CB ILE B 11 0.348 5.453 -9.733 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.350 4.122 -10.492 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.614 6.246 -10.041 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.422 4.275 -11.995 1.00 0.00 C ATOM 0 H ILE B 11 -1.869 5.053 -8.096 1.00 0.00 H new ATOM 0 HA ILE B 11 1.030 4.554 -7.888 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.511 6.038 -10.062 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.198 3.525 -10.156 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.553 3.567 -10.236 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.688 6.410 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.575 7.207 -9.529 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.485 5.688 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.419 3.290 -12.462 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.439 4.844 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.338 4.801 -12.264 1.00 0.00 H new ATOM 859 N VAL B 12 1.262 6.628 -6.560 1.00 0.00 N ATOM 860 CA VAL B 12 1.499 7.849 -5.802 1.00 0.00 C ATOM 861 C VAL B 12 2.863 8.407 -6.188 1.00 0.00 C ATOM 862 O VAL B 12 3.854 7.673 -6.208 1.00 0.00 O ATOM 863 CB VAL B 12 1.454 7.592 -4.283 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.691 8.881 -3.513 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.124 6.970 -3.892 1.00 0.00 C ATOM 0 H VAL B 12 1.885 5.858 -6.316 1.00 0.00 H new ATOM 0 HA VAL B 12 0.711 8.564 -6.039 1.00 0.00 H new ATOM 0 HB VAL B 12 2.251 6.893 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.655 8.677 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.669 9.285 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.919 9.606 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.107 6.794 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.687 7.646 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.003 6.023 -4.417 1.00 0.00 H new ATOM 875 N LYS B 13 2.921 9.689 -6.501 1.00 0.00 N ATOM 876 CA LYS B 13 4.174 10.302 -6.913 1.00 0.00 C ATOM 877 C LYS B 13 4.801 11.110 -5.788 1.00 0.00 C ATOM 878 O LYS B 13 4.129 11.476 -4.828 1.00 0.00 O ATOM 879 CB LYS B 13 3.962 11.178 -8.149 1.00 0.00 C ATOM 880 CG LYS B 13 4.147 10.424 -9.458 1.00 0.00 C ATOM 881 CD LYS B 13 5.494 9.716 -9.493 1.00 0.00 C ATOM 882 CE LYS B 13 5.728 8.992 -10.810 1.00 0.00 C ATOM 883 NZ LYS B 13 7.047 8.302 -10.830 1.00 0.00 N ATOM 0 H LYS B 13 2.122 10.323 -6.479 1.00 0.00 H new ATOM 0 HA LYS B 13 4.866 9.499 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.957 11.600 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.660 12.015 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.346 9.695 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.075 11.118 -10.295 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.290 10.444 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.548 9.001 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.933 8.264 -10.971 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.678 9.706 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.460 8.370 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.685 8.753 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.919 7.301 -10.579 1.00 0.00 H new ATOM 897 N LYS B 14 6.097 11.387 -5.940 1.00 0.00 N ATOM 898 CA LYS B 14 6.869 12.141 -4.964 1.00 0.00 C ATOM 899 C LYS B 14 6.701 11.585 -3.553 1.00 0.00 C ATOM 900 O LYS B 14 6.010 12.157 -2.712 1.00 0.00 O ATOM 901 CB LYS B 14 6.501 13.615 -5.047 1.00 0.00 C ATOM 902 CG LYS B 14 7.373 14.393 -6.022 1.00 0.00 C ATOM 903 CD LYS B 14 6.610 15.522 -6.699 1.00 0.00 C ATOM 904 CE LYS B 14 6.818 16.852 -5.992 1.00 0.00 C ATOM 905 NZ LYS B 14 5.856 17.049 -4.879 1.00 0.00 N ATOM 0 H LYS B 14 6.640 11.090 -6.751 1.00 0.00 H new ATOM 0 HA LYS B 14 7.927 12.038 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.458 13.707 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.587 14.061 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.232 14.804 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.763 13.714 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.934 15.608 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.547 15.282 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.835 16.901 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.712 17.665 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.894 18.038 -4.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.894 16.829 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.105 16.419 -4.090 1.00 0.00 H new ATOM 919 N VAL B 15 7.328 10.442 -3.328 1.00 0.00 N ATOM 920 CA VAL B 15 7.302 9.772 -2.039 1.00 0.00 C ATOM 921 C VAL B 15 8.733 9.519 -1.586 1.00 0.00 C ATOM 922 O VAL B 15 9.507 8.878 -2.291 1.00 0.00 O ATOM 923 CB VAL B 15 6.533 8.435 -2.102 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.494 7.765 -0.735 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.124 8.656 -2.626 1.00 0.00 C ATOM 0 H VAL B 15 7.872 9.951 -4.038 1.00 0.00 H new ATOM 0 HA VAL B 15 6.784 10.416 -1.328 1.00 0.00 H new ATOM 0 HB VAL B 15 7.060 7.773 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.947 6.825 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.511 7.568 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.996 8.422 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.596 7.703 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.592 9.339 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.171 9.085 -3.627 1.00 0.00 H new ATOM 935 N ARG B 16 9.077 10.023 -0.418 1.00 0.00 N ATOM 936 CA ARG B 16 10.421 9.885 0.112 1.00 0.00 C ATOM 937 C ARG B 16 10.545 8.751 1.117 1.00 0.00 C ATOM 938 O ARG B 16 9.711 8.586 2.008 1.00 0.00 O ATOM 939 CB ARG B 16 10.857 11.181 0.793 1.00 0.00 C ATOM 940 CG ARG B 16 11.299 12.264 -0.166 1.00 0.00 C ATOM 941 CD ARG B 16 11.479 13.591 0.547 1.00 0.00 C ATOM 942 NE ARG B 16 12.373 14.486 -0.179 1.00 0.00 N ATOM 943 CZ ARG B 16 13.078 15.457 0.395 1.00 0.00 C ATOM 944 NH1 ARG B 16 12.932 15.706 1.689 1.00 0.00 N ATOM 945 NH2 ARG B 16 13.914 16.190 -0.328 1.00 0.00 N ATOM 0 H ARG B 16 8.438 10.537 0.188 1.00 0.00 H new ATOM 0 HA ARG B 16 11.063 9.658 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.030 11.559 1.395 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.676 10.961 1.478 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.237 11.973 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.561 12.373 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.508 14.071 0.670 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.876 13.414 1.546 1.00 0.00 H new ATOM 0 HE ARG B 16 12.463 14.360 -1.187 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.279 15.153 2.244 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.473 16.451 2.129 1.00 0.00 H new ATOM 0 HH21 ARG B 16 14.017 16.010 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.453 16.934 0.115 1.00 0.00 H new ATOM 959 N GLN B 17 11.599 7.979 0.957 1.00 0.00 N ATOM 960 CA GLN B 17 11.917 6.900 1.864 1.00 0.00 C ATOM 961 C GLN B 17 13.264 7.234 2.484 1.00 0.00 C ATOM 962 O GLN B 17 14.296 7.093 1.834 1.00 0.00 O ATOM 963 CB GLN B 17 11.961 5.555 1.119 1.00 0.00 C ATOM 964 CG GLN B 17 12.579 4.405 1.908 1.00 0.00 C ATOM 965 CD GLN B 17 11.966 4.225 3.280 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.425 4.803 4.264 1.00 0.00 O ATOM 967 NE2 GLN B 17 10.931 3.415 3.358 1.00 0.00 N ATOM 0 H GLN B 17 12.262 8.084 0.189 1.00 0.00 H new ATOM 0 HA GLN B 17 11.155 6.799 2.637 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.945 5.279 0.837 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.524 5.686 0.195 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.463 3.481 1.342 1.00 0.00 H new ATOM 0 HG3 GLN B 17 13.649 4.581 2.016 1.00 0.00 H new ATOM 0 HE21 GLN B 17 10.580 2.954 2.519 1.00 0.00 H new ATOM 0 HE22 GLN B 17 10.480 3.248 4.258 1.00 0.00 H new ATOM 976 N LYS B 18 13.234 7.702 3.730 1.00 0.00 N ATOM 977 CA LYS B 18 14.442 8.099 4.440 1.00 0.00 C ATOM 978 C LYS B 18 15.325 9.021 3.591 1.00 0.00 C ATOM 979 O LYS B 18 16.431 8.655 3.186 1.00 0.00 O ATOM 980 CB LYS B 18 15.195 6.869 4.924 1.00 0.00 C ATOM 981 CG LYS B 18 14.791 6.427 6.324 1.00 0.00 C ATOM 982 CD LYS B 18 14.566 7.623 7.245 1.00 0.00 C ATOM 983 CE LYS B 18 14.443 7.197 8.698 1.00 0.00 C ATOM 984 NZ LYS B 18 13.860 8.263 9.553 1.00 0.00 N ATOM 0 H LYS B 18 12.376 7.815 4.271 1.00 0.00 H new ATOM 0 HA LYS B 18 14.150 8.680 5.315 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.022 6.049 4.228 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.265 7.078 4.911 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.880 5.832 6.270 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.567 5.785 6.742 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.394 8.324 7.140 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.661 8.150 6.942 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.821 6.304 8.761 1.00 0.00 H new ATOM 0 HE3 LYS B 18 15.428 6.927 9.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.056 8.053 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.283 9.179 9.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.832 8.304 9.403 1.00 0.00 H new ATOM 998 N LYS B 19 14.788 10.212 3.318 1.00 0.00 N ATOM 999 CA LYS B 19 15.450 11.249 2.532 1.00 0.00 C ATOM 1000 C LYS B 19 15.726 10.861 1.080 1.00 0.00 C ATOM 1001 O LYS B 19 16.488 11.534 0.388 1.00 0.00 O ATOM 1002 CB LYS B 19 16.720 11.682 3.239 1.00 0.00 C ATOM 1003 CG LYS B 19 16.498 12.846 4.187 1.00 0.00 C ATOM 1004 CD LYS B 19 15.823 14.010 3.474 1.00 0.00 C ATOM 1005 CE LYS B 19 15.206 14.990 4.457 1.00 0.00 C ATOM 1006 NZ LYS B 19 14.136 14.357 5.273 1.00 0.00 N ATOM 0 H LYS B 19 13.861 10.486 3.645 1.00 0.00 H new ATOM 0 HA LYS B 19 14.754 12.085 2.465 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.126 10.838 3.796 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.467 11.962 2.496 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.883 12.523 5.027 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.453 13.172 4.598 1.00 0.00 H new ATOM 0 HD2 LYS B 19 16.553 14.529 2.853 1.00 0.00 H new ATOM 0 HD3 LYS B 19 15.050 13.629 2.807 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.982 15.381 5.116 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.793 15.839 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.502 15.093 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.592 13.698 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.565 13.837 6.065 1.00 0.00 H new ATOM 1020 N GLN B 20 15.096 9.802 0.606 1.00 0.00 N ATOM 1021 CA GLN B 20 15.263 9.386 -0.778 1.00 0.00 C ATOM 1022 C GLN B 20 13.951 9.600 -1.520 1.00 0.00 C ATOM 1023 O GLN B 20 12.942 8.990 -1.181 1.00 0.00 O ATOM 1024 CB GLN B 20 15.694 7.920 -0.854 1.00 0.00 C ATOM 1025 CG GLN B 20 17.125 7.686 -0.399 1.00 0.00 C ATOM 1026 CD GLN B 20 17.322 6.320 0.228 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.595 5.338 -0.463 1.00 0.00 O ATOM 1028 NE2 GLN B 20 17.190 6.250 1.542 1.00 0.00 N ATOM 0 H GLN B 20 14.467 9.216 1.154 1.00 0.00 H new ATOM 0 HA GLN B 20 16.045 9.985 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.023 7.320 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.585 7.570 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.795 7.790 -1.252 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.404 8.456 0.321 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.963 7.088 2.077 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.315 5.358 2.020 1.00 0.00 H new ATOM 1037 N ASP B 21 13.962 10.471 -2.520 1.00 0.00 N ATOM 1038 CA ASP B 21 12.749 10.771 -3.282 1.00 0.00 C ATOM 1039 C ASP B 21 12.446 9.688 -4.304 1.00 0.00 C ATOM 1040 O ASP B 21 13.349 9.130 -4.934 1.00 0.00 O ATOM 1041 CB ASP B 21 12.860 12.128 -3.983 1.00 0.00 C ATOM 1042 CG ASP B 21 12.039 13.201 -3.293 1.00 0.00 C ATOM 1043 OD1 ASP B 21 12.641 14.163 -2.769 1.00 0.00 O ATOM 1044 OD2 ASP B 21 10.795 13.075 -3.249 1.00 0.00 O ATOM 0 H ASP B 21 14.791 10.982 -2.824 1.00 0.00 H new ATOM 0 HA ASP B 21 11.927 10.808 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.905 12.435 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.529 12.029 -5.017 1.00 0.00 H new ATOM 1049 N GLY B 22 11.168 9.397 -4.458 1.00 0.00 N ATOM 1050 CA GLY B 22 10.735 8.389 -5.394 1.00 0.00 C ATOM 1051 C GLY B 22 9.232 8.374 -5.548 1.00 0.00 C ATOM 1052 O GLY B 22 8.587 9.417 -5.476 1.00 0.00 O ATOM 0 H GLY B 22 10.413 9.849 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.198 8.571 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.076 7.410 -5.057 1.00 0.00 H new ATOM 1056 N ALA B 23 8.674 7.198 -5.756 1.00 0.00 N ATOM 1057 CA ALA B 23 7.241 7.050 -5.916 1.00 0.00 C ATOM 1058 C ALA B 23 6.773 5.730 -5.328 1.00 0.00 C ATOM 1059 O ALA B 23 7.479 4.722 -5.400 1.00 0.00 O ATOM 1060 CB ALA B 23 6.865 7.144 -7.384 1.00 0.00 C ATOM 0 H ALA B 23 9.196 6.324 -5.819 1.00 0.00 H new ATOM 0 HA ALA B 23 6.745 7.858 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.786 7.031 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.169 8.114 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.369 6.354 -7.940 1.00 0.00 H new ATOM 1066 N LEU B 24 5.586 5.743 -4.745 1.00 0.00 N ATOM 1067 CA LEU B 24 5.020 4.550 -4.140 1.00 0.00 C ATOM 1068 C LEU B 24 3.938 3.977 -5.040 1.00 0.00 C ATOM 1069 O LEU B 24 3.025 4.686 -5.464 1.00 0.00 O ATOM 1070 CB LEU B 24 4.450 4.866 -2.759 1.00 0.00 C ATOM 1071 CG LEU B 24 4.065 3.639 -1.935 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.297 2.996 -1.321 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.060 4.012 -0.857 1.00 0.00 C ATOM 0 H LEU B 24 4.994 6.571 -4.678 1.00 0.00 H new ATOM 0 HA LEU B 24 5.811 3.810 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.185 5.446 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.570 5.498 -2.879 1.00 0.00 H new ATOM 0 HG LEU B 24 3.599 2.913 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU B 24 5.000 2.124 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.980 2.688 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.796 3.714 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.798 3.125 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.497 4.759 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.163 4.420 -1.322 1.00 0.00 H new ATOM 1085 N TYR B 25 4.050 2.697 -5.336 1.00 0.00 N ATOM 1086 CA TYR B 25 3.093 2.029 -6.196 1.00 0.00 C ATOM 1087 C TYR B 25 2.438 0.862 -5.466 1.00 0.00 C ATOM 1088 O TYR B 25 3.122 -0.026 -4.951 1.00 0.00 O ATOM 1089 CB TYR B 25 3.783 1.520 -7.468 1.00 0.00 C ATOM 1090 CG TYR B 25 4.581 2.575 -8.210 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.948 2.713 -8.005 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.966 3.426 -9.121 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.681 3.668 -8.686 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.693 4.385 -9.805 1.00 0.00 C ATOM 1095 CZ TYR B 25 6.049 4.503 -9.585 1.00 0.00 C ATOM 1096 OH TYR B 25 6.780 5.457 -10.265 1.00 0.00 O ATOM 0 H TYR B 25 4.799 2.096 -4.991 1.00 0.00 H new ATOM 0 HA TYR B 25 2.323 2.750 -6.471 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.448 0.698 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.027 1.114 -8.140 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.447 2.063 -7.302 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.904 3.338 -9.298 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.743 3.760 -8.515 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.200 5.039 -10.509 1.00 0.00 H new ATOM 0 HH TYR B 25 6.418 5.563 -11.170 1.00 0.00 H new ATOM 1106 N LEU B 26 1.114 0.880 -5.398 1.00 0.00 N ATOM 1107 CA LEU B 26 0.377 -0.195 -4.757 1.00 0.00 C ATOM 1108 C LEU B 26 0.029 -1.229 -5.804 1.00 0.00 C ATOM 1109 O LEU B 26 -0.647 -0.919 -6.781 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.905 0.300 -4.087 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.716 1.272 -2.927 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.918 1.229 -1.998 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.552 0.964 -2.159 1.00 0.00 C ATOM 0 H LEU B 26 0.531 1.626 -5.778 1.00 0.00 H new ATOM 0 HA LEU B 26 1.007 -0.622 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.525 0.782 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.460 -0.565 -3.724 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.627 2.276 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.767 1.928 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.815 1.507 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.035 0.221 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.661 1.672 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.499 -0.049 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.410 1.046 -2.826 1.00 0.00 H new ATOM 1125 N MET B 27 0.484 -2.444 -5.605 1.00 0.00 N ATOM 1126 CA MET B 27 0.235 -3.503 -6.560 1.00 0.00 C ATOM 1127 C MET B 27 -0.810 -4.456 -6.012 1.00 0.00 C ATOM 1128 O MET B 27 -1.103 -4.438 -4.818 1.00 0.00 O ATOM 1129 CB MET B 27 1.521 -4.261 -6.863 1.00 0.00 C ATOM 1130 CG MET B 27 2.779 -3.420 -6.719 1.00 0.00 C ATOM 1131 SD MET B 27 2.836 -2.035 -7.863 1.00 0.00 S ATOM 1132 CE MET B 27 4.026 -2.659 -9.036 1.00 0.00 C ATOM 0 H MET B 27 1.029 -2.726 -4.790 1.00 0.00 H new ATOM 0 HA MET B 27 -0.133 -3.059 -7.485 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.591 -5.120 -6.195 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.471 -4.651 -7.880 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.842 -3.043 -5.698 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.652 -4.052 -6.880 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.436 -1.831 -9.614 1.00 0.00 H new ATOM 0 HE2 MET B 27 4.832 -3.163 -8.503 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.538 -3.365 -9.709 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.340 -5.299 -6.884 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.380 -6.256 -6.517 1.00 0.00 C ATOM 1144 C ALA B 28 -2.054 -7.043 -5.246 1.00 0.00 C ATOM 1145 O ALA B 28 -2.851 -7.063 -4.311 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.642 -7.206 -7.674 1.00 0.00 C ATOM 0 H ALA B 28 -1.064 -5.342 -7.865 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.278 -5.678 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.419 -7.917 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.969 -6.637 -8.545 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.727 -7.746 -7.916 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.887 -7.673 -5.192 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.525 -8.472 -4.023 1.00 0.00 C ATOM 1154 C GLU B 29 0.617 -7.862 -3.209 1.00 0.00 C ATOM 1155 O GLU B 29 1.118 -8.501 -2.279 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.126 -9.891 -4.445 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.993 -10.483 -5.545 1.00 0.00 C ATOM 1158 CD GLU B 29 -0.347 -10.379 -6.912 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -0.030 -11.426 -7.511 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -0.149 -9.252 -7.400 1.00 0.00 O ATOM 0 H GLU B 29 -0.183 -7.649 -5.930 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.411 -8.495 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.911 -9.879 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.170 -10.543 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.194 -11.530 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.955 -9.970 -5.561 1.00 0.00 H new ATOM 1167 N ARG B 30 1.017 -6.628 -3.499 1.00 0.00 N ATOM 1168 CA ARG B 30 2.129 -6.039 -2.755 1.00 0.00 C ATOM 1169 C ARG B 30 2.192 -4.527 -2.884 1.00 0.00 C ATOM 1170 O ARG B 30 1.471 -3.923 -3.663 1.00 0.00 O ATOM 1171 CB ARG B 30 3.465 -6.629 -3.237 1.00 0.00 C ATOM 1172 CG ARG B 30 4.019 -5.962 -4.493 1.00 0.00 C ATOM 1173 CD ARG B 30 5.449 -6.391 -4.771 1.00 0.00 C ATOM 1174 NE ARG B 30 5.501 -7.673 -5.463 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.320 -8.670 -5.139 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.260 -8.498 -4.214 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.218 -9.831 -5.772 1.00 0.00 N ATOM 0 H ARG B 30 0.606 -6.032 -4.218 1.00 0.00 H new ATOM 0 HA ARG B 30 1.956 -6.281 -1.706 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.200 -6.541 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.332 -7.693 -3.431 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.390 -6.215 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.980 -4.879 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.946 -5.631 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.997 -6.462 -3.832 1.00 0.00 H new ATOM 0 HE ARG B 30 4.866 -7.815 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.357 -7.596 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.884 -9.268 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.516 -9.954 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.842 -10.601 -5.530 1.00 0.00 H new ATOM 1191 N ILE B 31 3.070 -3.935 -2.096 1.00 0.00 N ATOM 1192 CA ILE B 31 3.306 -2.506 -2.121 1.00 0.00 C ATOM 1193 C ILE B 31 4.790 -2.286 -2.379 1.00 0.00 C ATOM 1194 O ILE B 31 5.636 -2.893 -1.716 1.00 0.00 O ATOM 1195 CB ILE B 31 2.875 -1.813 -0.803 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.437 -0.389 -0.729 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.318 -2.626 0.405 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.965 0.393 0.480 1.00 0.00 C ATOM 0 H ILE B 31 3.642 -4.436 -1.417 1.00 0.00 H new ATOM 0 HA ILE B 31 2.702 -2.059 -2.911 1.00 0.00 H new ATOM 0 HB ILE B 31 1.787 -1.752 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.526 -0.438 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.154 0.151 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.005 -2.121 1.318 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.864 -3.616 0.364 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.404 -2.725 0.399 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.405 1.390 0.463 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.878 0.475 0.459 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.272 -0.123 1.390 1.00 0.00 H new ATOM 1210 N ALA B 32 5.116 -1.459 -3.354 1.00 0.00 N ATOM 1211 CA ALA B 32 6.508 -1.228 -3.681 1.00 0.00 C ATOM 1212 C ALA B 32 6.819 0.247 -3.863 1.00 0.00 C ATOM 1213 O ALA B 32 5.969 1.034 -4.279 1.00 0.00 O ATOM 1214 CB ALA B 32 6.879 -2.009 -4.929 1.00 0.00 C ATOM 0 H ALA B 32 4.447 -0.943 -3.925 1.00 0.00 H new ATOM 0 HA ALA B 32 7.108 -1.577 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.927 -1.832 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.722 -3.073 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.255 -1.683 -5.761 1.00 0.00 H new ATOM 1220 N TRP B 33 8.047 0.607 -3.539 1.00 0.00 N ATOM 1221 CA TRP B 33 8.515 1.972 -3.667 1.00 0.00 C ATOM 1222 C TRP B 33 9.766 1.999 -4.532 1.00 0.00 C ATOM 1223 O TRP B 33 10.680 1.191 -4.340 1.00 0.00 O ATOM 1224 CB TRP B 33 8.812 2.570 -2.286 1.00 0.00 C ATOM 1225 CG TRP B 33 9.400 3.948 -2.345 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.718 5.127 -2.396 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.793 4.288 -2.366 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.599 6.177 -2.453 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.877 5.687 -2.434 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.975 3.542 -2.334 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.096 6.358 -2.472 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.185 4.209 -2.372 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.236 5.605 -2.439 1.00 0.00 C ATOM 0 H TRP B 33 8.748 -0.041 -3.179 1.00 0.00 H new ATOM 0 HA TRP B 33 7.737 2.572 -4.139 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.889 2.602 -1.707 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.500 1.912 -1.754 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.642 5.221 -2.392 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.343 7.163 -2.502 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.943 2.464 -2.281 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.139 7.436 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.105 3.644 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.196 6.098 -2.465 1.00 0.00 H new ATOM 1244 N ALA B 34 9.800 2.917 -5.480 1.00 0.00 N ATOM 1245 CA ALA B 34 10.936 3.050 -6.373 1.00 0.00 C ATOM 1246 C ALA B 34 11.357 4.504 -6.481 1.00 0.00 C ATOM 1247 O ALA B 34 10.507 5.385 -6.599 1.00 0.00 O ATOM 1248 CB ALA B 34 10.590 2.506 -7.751 1.00 0.00 C ATOM 0 H ALA B 34 9.049 3.585 -5.652 1.00 0.00 H new ATOM 0 HA ALA B 34 11.766 2.474 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.451 2.612 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.323 1.452 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.748 3.063 -8.161 1.00 0.00 H new ATOM 1254 N PRO B 35 12.668 4.783 -6.415 1.00 0.00 N ATOM 1255 CA PRO B 35 13.180 6.147 -6.536 1.00 0.00 C ATOM 1256 C PRO B 35 12.811 6.734 -7.895 1.00 0.00 C ATOM 1257 O PRO B 35 12.865 6.033 -8.911 1.00 0.00 O ATOM 1258 CB PRO B 35 14.698 5.989 -6.395 1.00 0.00 C ATOM 1259 CG PRO B 35 14.895 4.654 -5.759 1.00 0.00 C ATOM 1260 CD PRO B 35 13.746 3.804 -6.220 1.00 0.00 C ATOM 0 HA PRO B 35 12.765 6.825 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.191 6.039 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.121 6.784 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.848 4.217 -6.056 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.908 4.737 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.981 3.274 -7.143 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.478 3.051 -5.479 1.00 0.00 H new ATOM 1368 N THR B 42 13.005 -0.515 -5.120 1.00 0.00 N ATOM 1369 CA THR B 42 14.009 -0.957 -4.166 1.00 0.00 C ATOM 1370 C THR B 42 13.334 -1.502 -2.913 1.00 0.00 C ATOM 1371 O THR B 42 13.884 -2.344 -2.205 1.00 0.00 O ATOM 1372 CB THR B 42 14.949 0.200 -3.788 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.240 1.446 -3.874 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.161 0.237 -4.709 1.00 0.00 C ATOM 0 HA THR B 42 14.599 -1.747 -4.631 1.00 0.00 H new ATOM 0 HB THR B 42 15.296 0.043 -2.766 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.410 1.316 -4.378 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.811 1.064 -4.422 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.709 -0.701 -4.627 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.831 0.375 -5.739 1.00 0.00 H new ATOM 1382 N ILE B 43 12.134 -1.005 -2.650 1.00 0.00 N ATOM 1383 CA ILE B 43 11.354 -1.435 -1.503 1.00 0.00 C ATOM 1384 C ILE B 43 10.174 -2.269 -1.981 1.00 0.00 C ATOM 1385 O ILE B 43 9.318 -1.771 -2.709 1.00 0.00 O ATOM 1386 CB ILE B 43 10.830 -0.229 -0.690 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.992 0.637 -0.189 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.968 -0.697 0.475 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.849 -0.032 0.866 1.00 0.00 C ATOM 0 H ILE B 43 11.677 -0.296 -3.224 1.00 0.00 H new ATOM 0 HA ILE B 43 12.001 -2.027 -0.855 1.00 0.00 H new ATOM 0 HB ILE B 43 10.212 0.380 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.622 0.907 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.591 1.565 0.218 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.610 0.168 1.033 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.116 -1.261 0.094 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.560 -1.334 1.133 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.648 0.645 1.168 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.234 -0.277 1.732 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.282 -0.945 0.458 1.00 0.00 H new ATOM 1401 N SER B 44 10.138 -3.532 -1.592 1.00 0.00 N ATOM 1402 CA SER B 44 9.062 -4.419 -1.999 1.00 0.00 C ATOM 1403 C SER B 44 8.521 -5.190 -0.801 1.00 0.00 C ATOM 1404 O SER B 44 9.245 -5.957 -0.168 1.00 0.00 O ATOM 1405 CB SER B 44 9.567 -5.390 -3.071 1.00 0.00 C ATOM 1406 OG SER B 44 8.503 -5.892 -3.864 1.00 0.00 O ATOM 0 H SER B 44 10.842 -3.966 -0.995 1.00 0.00 H new ATOM 0 HA SER B 44 8.252 -3.820 -2.414 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.290 -4.883 -3.710 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.089 -6.220 -2.594 1.00 0.00 H new ATOM 0 HG SER B 44 8.860 -6.507 -4.539 1.00 0.00 H new ATOM 1412 N HIS B 45 7.253 -4.966 -0.486 1.00 0.00 N ATOM 1413 CA HIS B 45 6.605 -5.645 0.629 1.00 0.00 C ATOM 1414 C HIS B 45 5.286 -6.233 0.189 1.00 0.00 C ATOM 1415 O HIS B 45 4.469 -5.548 -0.425 1.00 0.00 O ATOM 1416 CB HIS B 45 6.358 -4.682 1.795 1.00 0.00 C ATOM 1417 CG HIS B 45 7.592 -4.271 2.536 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.398 -5.141 3.233 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.144 -3.043 2.694 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.389 -4.431 3.785 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.283 -3.149 3.486 1.00 0.00 N ATOM 0 H HIS B 45 6.649 -4.316 -0.989 1.00 0.00 H new ATOM 0 HA HIS B 45 7.271 -6.441 0.963 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.865 -3.788 1.413 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.668 -5.151 2.497 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.264 -6.149 3.315 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.760 -2.126 2.271 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.174 -4.852 4.396 1.00 0.00 H new ATOM 1429 N MET B 46 5.080 -7.501 0.481 1.00 0.00 N ATOM 1430 CA MET B 46 3.839 -8.149 0.130 1.00 0.00 C ATOM 1431 C MET B 46 2.844 -7.896 1.242 1.00 0.00 C ATOM 1432 O MET B 46 3.228 -7.730 2.400 1.00 0.00 O ATOM 1433 CB MET B 46 4.028 -9.658 -0.061 1.00 0.00 C ATOM 1434 CG MET B 46 5.048 -10.029 -1.123 1.00 0.00 C ATOM 1435 SD MET B 46 4.360 -10.014 -2.791 1.00 0.00 S ATOM 1436 CE MET B 46 3.106 -11.288 -2.657 1.00 0.00 C ATOM 0 H MET B 46 5.755 -8.099 0.959 1.00 0.00 H new ATOM 0 HA MET B 46 3.479 -7.741 -0.814 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.333 -10.098 0.889 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.068 -10.102 -0.324 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.886 -9.333 -1.074 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.445 -11.021 -0.908 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.933 -11.733 -3.637 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.443 -12.058 -1.963 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.179 -10.849 -2.289 1.00 0.00 H new ATOM 1446 N TYR B 47 1.577 -7.841 0.895 1.00 0.00 N ATOM 1447 CA TYR B 47 0.531 -7.616 1.888 1.00 0.00 C ATOM 1448 C TYR B 47 0.542 -8.738 2.921 1.00 0.00 C ATOM 1449 O TYR B 47 0.187 -8.537 4.083 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.842 -7.526 1.219 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.968 -6.367 0.257 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.449 -5.119 0.577 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.598 -6.519 -0.969 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.552 -4.056 -0.296 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.706 -5.459 -1.848 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.182 -4.231 -1.508 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.282 -3.177 -2.385 1.00 0.00 O ATOM 0 H TYR B 47 1.239 -7.948 -0.062 1.00 0.00 H new ATOM 0 HA TYR B 47 0.729 -6.669 2.390 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.039 -8.455 0.684 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.608 -7.434 1.989 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.045 -4.978 1.527 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.010 -7.480 -1.240 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.141 -3.093 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.200 -5.592 -2.799 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.307 -3.517 -3.304 1.00 0.00 H new ATOM 1467 N ALA B 48 1.004 -9.903 2.488 1.00 0.00 N ATOM 1468 CA ALA B 48 1.070 -11.085 3.336 1.00 0.00 C ATOM 1469 C ALA B 48 2.205 -11.008 4.356 1.00 0.00 C ATOM 1470 O ALA B 48 2.291 -11.854 5.240 1.00 0.00 O ATOM 1471 CB ALA B 48 1.226 -12.329 2.476 1.00 0.00 C ATOM 0 H ALA B 48 1.344 -10.055 1.538 1.00 0.00 H new ATOM 0 HA ALA B 48 0.137 -11.136 3.896 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.275 -13.210 3.116 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.373 -12.416 1.804 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.143 -12.254 1.891 1.00 0.00 H new ATOM 1477 N ASP B 49 3.077 -10.009 4.233 1.00 0.00 N ATOM 1478 CA ASP B 49 4.190 -9.865 5.169 1.00 0.00 C ATOM 1479 C ASP B 49 3.939 -8.708 6.126 1.00 0.00 C ATOM 1480 O ASP B 49 4.660 -8.530 7.114 1.00 0.00 O ATOM 1481 CB ASP B 49 5.525 -9.599 4.451 1.00 0.00 C ATOM 1482 CG ASP B 49 5.636 -10.206 3.064 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.098 -9.486 2.146 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.277 -11.388 2.885 1.00 0.00 O ATOM 0 H ASP B 49 3.036 -9.296 3.505 1.00 0.00 H new ATOM 0 HA ASP B 49 4.257 -10.809 5.710 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.671 -8.522 4.373 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.336 -9.987 5.067 1.00 0.00 H new ATOM 1489 N ILE B 50 2.912 -7.922 5.843 1.00 0.00 N ATOM 1490 CA ILE B 50 2.606 -6.766 6.665 1.00 0.00 C ATOM 1491 C ILE B 50 1.561 -7.104 7.729 1.00 0.00 C ATOM 1492 O ILE B 50 0.501 -7.648 7.426 1.00 0.00 O ATOM 1493 CB ILE B 50 2.112 -5.590 5.800 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.131 -5.295 4.694 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.883 -4.358 6.663 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.632 -4.330 3.642 1.00 0.00 C ATOM 0 H ILE B 50 2.281 -8.064 5.055 1.00 0.00 H new ATOM 0 HA ILE B 50 3.527 -6.470 7.167 1.00 0.00 H new ATOM 0 HB ILE B 50 1.163 -5.862 5.338 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.036 -4.888 5.146 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.409 -6.232 4.211 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.534 -3.536 6.038 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.133 -4.580 7.422 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.817 -4.074 7.148 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.410 -4.172 2.895 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.745 -4.743 3.161 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.381 -3.379 4.111 1.00 0.00 H new ATOM 1508 N LYS B 51 1.869 -6.771 8.976 1.00 0.00 N ATOM 1509 CA LYS B 51 0.970 -7.033 10.095 1.00 0.00 C ATOM 1510 C LYS B 51 -0.139 -5.987 10.140 1.00 0.00 C ATOM 1511 O LYS B 51 -1.319 -6.315 10.058 1.00 0.00 O ATOM 1512 CB LYS B 51 1.757 -7.024 11.410 1.00 0.00 C ATOM 1513 CG LYS B 51 0.901 -7.207 12.653 1.00 0.00 C ATOM 1514 CD LYS B 51 1.632 -6.754 13.910 1.00 0.00 C ATOM 1515 CE LYS B 51 2.774 -7.691 14.269 1.00 0.00 C ATOM 1516 NZ LYS B 51 4.105 -7.043 14.102 1.00 0.00 N ATOM 0 H LYS B 51 2.742 -6.315 9.240 1.00 0.00 H new ATOM 0 HA LYS B 51 0.516 -8.015 9.959 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.504 -7.817 11.378 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.297 -6.080 11.490 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.024 -6.640 12.545 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.622 -8.256 12.752 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.022 -5.747 13.761 1.00 0.00 H new ATOM 0 HD3 LYS B 51 0.929 -6.704 14.741 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.660 -8.022 15.301 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.723 -8.581 13.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.850 -7.769 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.136 -6.543 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.260 -6.364 14.875 1.00 0.00 H new ATOM 1530 N CYS B 52 0.265 -4.734 10.255 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.661 -3.613 10.307 1.00 0.00 C ATOM 1532 C CYS B 52 0.032 -2.390 9.734 1.00 0.00 C ATOM 1533 O CYS B 52 1.196 -2.476 9.333 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.114 -3.351 11.743 1.00 0.00 C ATOM 1535 SG CYS B 52 0.217 -3.443 12.964 1.00 0.00 S ATOM 0 H CYS B 52 1.247 -4.463 10.315 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.550 -3.844 9.720 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.572 -2.363 11.794 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.886 -4.074 12.007 1.00 0.00 H new ATOM 0 HG CYS B 52 0.239 -2.349 13.665 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.640 -1.254 9.693 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.036 -0.077 9.148 1.00 0.00 C ATOM 1543 C GLN B 53 -0.330 1.083 10.073 1.00 0.00 C ATOM 1544 O GLN B 53 -1.099 0.933 11.003 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.615 0.146 7.748 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.079 -0.242 7.669 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.789 0.311 6.458 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -3.778 -0.250 6.005 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -2.303 1.422 5.934 1.00 0.00 N ATOM 0 H GLN B 53 -1.595 -1.133 10.030 1.00 0.00 H new ATOM 0 HA GLN B 53 1.046 -0.175 9.063 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.503 1.195 7.472 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.046 -0.437 7.024 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.158 -1.329 7.660 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.587 0.107 8.568 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.476 1.859 6.341 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.755 1.843 5.122 1.00 0.00 H new ATOM 1558 N LYS B 54 0.348 2.191 9.878 1.00 0.00 N ATOM 1559 CA LYS B 54 0.120 3.402 10.654 1.00 0.00 C ATOM 1560 C LYS B 54 0.348 4.566 9.725 1.00 0.00 C ATOM 1561 O LYS B 54 0.888 4.390 8.636 1.00 0.00 O ATOM 1562 CB LYS B 54 1.064 3.535 11.852 1.00 0.00 C ATOM 1563 CG LYS B 54 1.204 2.290 12.697 1.00 0.00 C ATOM 1564 CD LYS B 54 1.072 2.634 14.165 1.00 0.00 C ATOM 1565 CE LYS B 54 2.182 2.021 14.982 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.018 0.552 15.141 1.00 0.00 N ATOM 0 H LYS B 54 1.079 2.284 9.173 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.893 3.371 11.056 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.051 3.821 11.488 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.710 4.348 12.486 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.441 1.564 12.417 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.171 1.823 12.511 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.085 3.717 14.288 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.109 2.282 14.536 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.139 2.228 14.504 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.209 2.490 15.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.932 0.126 15.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.324 0.359 15.891 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.684 0.141 14.246 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.081 5.733 10.121 1.00 0.00 N ATOM 1581 CA ILE B 55 0.101 6.914 9.287 1.00 0.00 C ATOM 1582 C ILE B 55 0.443 8.117 10.128 1.00 0.00 C ATOM 1583 O ILE B 55 -0.234 8.354 11.096 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.211 7.245 8.538 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.368 7.066 9.508 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.393 6.374 7.311 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.748 7.280 8.953 1.00 0.00 C ATOM 0 H ILE B 55 -0.557 5.903 11.007 1.00 0.00 H new ATOM 0 HA ILE B 55 0.908 6.696 8.588 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.174 8.275 8.183 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.317 6.057 9.917 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.225 7.755 10.341 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.326 6.638 6.813 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.559 6.531 6.627 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.425 5.326 7.610 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.485 7.124 9.741 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.833 8.298 8.573 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.928 6.574 8.142 1.00 0.00 H new ATOM 1599 N SER B 56 1.488 8.868 9.810 1.00 0.00 N ATOM 1600 CA SER B 56 1.742 10.057 10.594 1.00 0.00 C ATOM 1601 C SER B 56 0.582 10.976 10.300 1.00 0.00 C ATOM 1602 O SER B 56 0.436 11.444 9.148 1.00 0.00 O ATOM 1603 CB SER B 56 3.096 10.706 10.298 1.00 0.00 C ATOM 1604 OG SER B 56 3.461 10.565 8.951 1.00 0.00 O ATOM 0 H SER B 56 2.144 8.685 9.050 1.00 0.00 H new ATOM 0 HA SER B 56 1.810 9.816 11.655 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.055 11.765 10.554 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.861 10.255 10.930 1.00 0.00 H new ATOM 0 HG SER B 56 3.864 11.400 8.632 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.276 11.160 11.339 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.529 11.914 11.286 1.00 0.00 C ATOM 1612 C PRO B 57 -1.372 13.341 10.778 1.00 0.00 C ATOM 1613 O PRO B 57 -0.257 13.858 10.649 1.00 0.00 O ATOM 1614 CB PRO B 57 -2.003 11.957 12.747 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.809 11.602 13.553 1.00 0.00 C ATOM 1616 CD PRO B 57 -0.031 10.663 12.702 1.00 0.00 C ATOM 0 HA PRO B 57 -2.220 11.436 10.592 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.377 12.946 13.011 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.817 11.253 12.918 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.223 12.487 13.800 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -1.095 11.135 14.496 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.030 10.679 12.951 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.371 9.635 12.823 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.498 13.969 10.487 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.503 15.344 10.037 1.00 0.00 C ATOM 1626 C GLU B 58 -1.997 16.216 11.181 1.00 0.00 C ATOM 1627 O GLU B 58 -2.276 15.943 12.348 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.905 15.796 9.579 1.00 0.00 C ATOM 1629 CG GLU B 58 -5.007 14.747 9.728 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.822 13.540 8.824 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -5.066 13.646 7.606 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.416 12.476 9.338 1.00 0.00 O ATOM 0 H GLU B 58 -3.423 13.544 10.556 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.851 15.441 9.169 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.188 16.681 10.149 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.849 16.095 8.532 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.041 14.412 10.765 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.970 15.210 9.510 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.271 17.263 10.849 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.703 18.121 11.868 1.00 0.00 C ATOM 1641 C GLY B 59 0.806 18.041 11.846 1.00 0.00 C ATOM 1642 O GLY B 59 1.491 19.015 12.153 1.00 0.00 O ATOM 0 H GLY B 59 -1.061 17.539 9.890 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.021 19.151 11.704 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.075 17.825 12.849 1.00 0.00 H new ATOM 1646 N LYS B 60 1.328 16.866 11.492 1.00 0.00 N ATOM 1647 CA LYS B 60 2.767 16.688 11.361 1.00 0.00 C ATOM 1648 C LYS B 60 3.248 17.479 10.156 1.00 0.00 C ATOM 1649 O LYS B 60 2.466 17.774 9.250 1.00 0.00 O ATOM 1650 CB LYS B 60 3.154 15.216 11.163 1.00 0.00 C ATOM 1651 CG LYS B 60 3.460 14.435 12.436 1.00 0.00 C ATOM 1652 CD LYS B 60 4.293 13.206 12.095 1.00 0.00 C ATOM 1653 CE LYS B 60 5.127 12.706 13.261 1.00 0.00 C ATOM 1654 NZ LYS B 60 5.966 13.758 13.881 1.00 0.00 N ATOM 0 H LYS B 60 0.777 16.031 11.293 1.00 0.00 H new ATOM 0 HA LYS B 60 3.232 17.038 12.283 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.342 14.714 10.637 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.029 15.174 10.514 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.999 15.067 13.142 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.532 14.134 12.922 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.631 12.407 11.762 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.953 13.442 11.260 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.464 12.287 14.018 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.770 11.896 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.630 13.322 14.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.500 14.257 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.358 14.434 14.386 1.00 0.00 H new ATOM 1668 N ALA B 61 4.528 17.805 10.130 1.00 0.00 N ATOM 1669 CA ALA B 61 5.088 18.551 9.014 1.00 0.00 C ATOM 1670 C ALA B 61 5.234 17.652 7.794 1.00 0.00 C ATOM 1671 O ALA B 61 5.468 18.126 6.685 1.00 0.00 O ATOM 1672 CB ALA B 61 6.429 19.157 9.399 1.00 0.00 C ATOM 0 H ALA B 61 5.197 17.568 10.863 1.00 0.00 H new ATOM 0 HA ALA B 61 4.406 19.363 8.762 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.834 19.712 8.553 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.294 19.832 10.244 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.121 18.362 9.677 1.00 0.00 H new ATOM 1678 N LYS B 62 5.090 16.348 8.011 1.00 0.00 N ATOM 1679 CA LYS B 62 5.204 15.377 6.937 1.00 0.00 C ATOM 1680 C LYS B 62 4.174 14.261 7.097 1.00 0.00 C ATOM 1681 O LYS B 62 4.280 13.427 8.001 1.00 0.00 O ATOM 1682 CB LYS B 62 6.617 14.785 6.901 1.00 0.00 C ATOM 1683 CG LYS B 62 7.680 15.770 6.437 1.00 0.00 C ATOM 1684 CD LYS B 62 8.722 16.017 7.513 1.00 0.00 C ATOM 1685 CE LYS B 62 9.782 14.930 7.527 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.720 15.097 8.667 1.00 0.00 N ATOM 0 H LYS B 62 4.893 15.942 8.926 1.00 0.00 H new ATOM 0 HA LYS B 62 5.010 15.891 5.996 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.877 14.426 7.897 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.622 13.919 6.239 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.166 15.386 5.540 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.208 16.714 6.164 1.00 0.00 H new ATOM 0 HD2 LYS B 62 9.195 16.985 7.346 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.235 16.064 8.487 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.302 13.953 7.590 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.339 14.952 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.431 14.338 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.196 16.019 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.191 15.051 9.561 1.00 0.00 H new ATOM 1700 N ILE B 63 3.166 14.268 6.234 1.00 0.00 N ATOM 1701 CA ILE B 63 2.131 13.242 6.250 1.00 0.00 C ATOM 1702 C ILE B 63 2.733 11.966 5.688 1.00 0.00 C ATOM 1703 O ILE B 63 3.170 11.946 4.536 1.00 0.00 O ATOM 1704 CB ILE B 63 0.911 13.672 5.410 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.438 15.060 5.845 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.216 12.662 5.540 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.490 16.091 4.739 1.00 0.00 C ATOM 0 H ILE B 63 3.043 14.977 5.511 1.00 0.00 H new ATOM 0 HA ILE B 63 1.783 13.085 7.271 1.00 0.00 H new ATOM 0 HB ILE B 63 1.209 13.714 4.362 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.585 14.987 6.215 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.054 15.401 6.677 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.066 12.986 4.939 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.126 11.688 5.190 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.518 12.586 6.585 1.00 0.00 H new ATOM 0 HD11 ILE B 63 0.140 17.051 5.120 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.516 16.193 4.385 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.149 15.773 3.915 1.00 0.00 H new ATOM 1719 N GLN B 64 2.770 10.898 6.477 1.00 0.00 N ATOM 1720 CA GLN B 64 3.435 9.677 6.005 1.00 0.00 C ATOM 1721 C GLN B 64 2.703 8.403 6.400 1.00 0.00 C ATOM 1722 O GLN B 64 1.750 8.427 7.172 1.00 0.00 O ATOM 1723 CB GLN B 64 4.868 9.620 6.560 1.00 0.00 C ATOM 1724 CG GLN B 64 5.686 10.884 6.325 1.00 0.00 C ATOM 1725 CD GLN B 64 6.811 11.051 7.329 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.869 11.597 7.016 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.582 10.595 8.547 1.00 0.00 N ATOM 0 H GLN B 64 2.366 10.845 7.412 1.00 0.00 H new ATOM 0 HA GLN B 64 3.437 9.726 4.916 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.822 9.426 7.632 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.387 8.776 6.105 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.104 10.859 5.319 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.028 11.752 6.375 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.691 10.149 8.765 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.296 10.689 9.269 1.00 0.00 H new ATOM 1736 N LEU B 65 3.147 7.294 5.818 1.00 0.00 N ATOM 1737 CA LEU B 65 2.597 5.981 6.115 1.00 0.00 C ATOM 1738 C LEU B 65 3.688 5.099 6.721 1.00 0.00 C ATOM 1739 O LEU B 65 4.859 5.225 6.366 1.00 0.00 O ATOM 1740 CB LEU B 65 2.064 5.305 4.851 1.00 0.00 C ATOM 1741 CG LEU B 65 1.315 3.989 5.100 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.168 4.232 5.289 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.548 3.003 3.979 1.00 0.00 C ATOM 0 H LEU B 65 3.898 7.283 5.128 1.00 0.00 H new ATOM 0 HA LEU B 65 1.773 6.110 6.817 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.396 5.997 4.338 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.899 5.111 4.178 1.00 0.00 H new ATOM 0 HG LEU B 65 1.712 3.558 6.019 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.673 3.282 5.464 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.323 4.888 6.146 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.577 4.701 4.394 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.004 2.082 4.186 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.195 3.430 3.040 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.613 2.786 3.901 1.00 0.00 H new ATOM 1755 N GLN B 66 3.301 4.230 7.636 1.00 0.00 N ATOM 1756 CA GLN B 66 4.228 3.320 8.285 1.00 0.00 C ATOM 1757 C GLN B 66 3.729 1.887 8.164 1.00 0.00 C ATOM 1758 O GLN B 66 2.633 1.567 8.617 1.00 0.00 O ATOM 1759 CB GLN B 66 4.367 3.692 9.756 1.00 0.00 C ATOM 1760 CG GLN B 66 5.440 2.914 10.496 1.00 0.00 C ATOM 1761 CD GLN B 66 5.714 3.480 11.875 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.058 3.113 12.852 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.686 4.373 11.960 1.00 0.00 N ATOM 0 H GLN B 66 2.335 4.135 7.951 1.00 0.00 H new ATOM 0 HA GLN B 66 5.200 3.398 7.797 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.589 4.756 9.831 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.410 3.531 10.252 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.132 1.872 10.588 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.360 2.924 9.912 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.202 4.646 11.124 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.920 4.788 12.862 1.00 0.00 H new ATOM 1772 N LEU B 67 4.516 1.035 7.535 1.00 0.00 N ATOM 1773 CA LEU B 67 4.142 -0.362 7.380 1.00 0.00 C ATOM 1774 C LEU B 67 4.780 -1.212 8.464 1.00 0.00 C ATOM 1775 O LEU B 67 5.997 -1.371 8.486 1.00 0.00 O ATOM 1776 CB LEU B 67 4.579 -0.893 6.015 1.00 0.00 C ATOM 1777 CG LEU B 67 3.773 -0.390 4.823 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.254 -1.072 3.554 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.288 -0.640 5.036 1.00 0.00 C ATOM 0 H LEU B 67 5.416 1.282 7.123 1.00 0.00 H new ATOM 0 HA LEU B 67 3.057 -0.422 7.462 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.625 -0.629 5.861 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.524 -1.981 6.034 1.00 0.00 H new ATOM 0 HG LEU B 67 3.922 0.685 4.724 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.675 -0.710 2.704 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.309 -0.847 3.397 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.124 -2.150 3.648 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.730 -0.274 4.174 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.112 -1.709 5.154 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.956 -0.116 5.932 1.00 0.00 H new ATOM 1791 N VAL B 68 3.970 -1.745 9.365 1.00 0.00 N ATOM 1792 CA VAL B 68 4.488 -2.597 10.421 1.00 0.00 C ATOM 1793 C VAL B 68 4.362 -4.046 9.996 1.00 0.00 C ATOM 1794 O VAL B 68 3.262 -4.596 9.929 1.00 0.00 O ATOM 1795 CB VAL B 68 3.769 -2.382 11.767 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.292 -3.351 12.816 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.956 -0.957 12.240 1.00 0.00 C ATOM 0 H VAL B 68 2.960 -1.604 9.386 1.00 0.00 H new ATOM 0 HA VAL B 68 5.534 -2.331 10.576 1.00 0.00 H new ATOM 0 HB VAL B 68 2.705 -2.570 11.620 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.771 -3.183 13.759 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.119 -4.375 12.484 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.361 -3.191 12.958 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.443 -0.819 13.192 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.019 -0.753 12.368 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.541 -0.271 11.502 1.00 0.00 H new ATOM 1807 N LEU B 69 5.493 -4.660 9.708 1.00 0.00 N ATOM 1808 CA LEU B 69 5.518 -6.036 9.256 1.00 0.00 C ATOM 1809 C LEU B 69 5.193 -7.002 10.397 1.00 0.00 C ATOM 1810 O LEU B 69 5.013 -6.588 11.549 1.00 0.00 O ATOM 1811 CB LEU B 69 6.859 -6.367 8.615 1.00 0.00 C ATOM 1812 CG LEU B 69 7.274 -5.476 7.437 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.133 -6.264 6.472 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.076 -4.879 6.716 1.00 0.00 C ATOM 0 H LEU B 69 6.412 -4.224 9.780 1.00 0.00 H new ATOM 0 HA LEU B 69 4.744 -6.156 8.498 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.632 -6.307 9.382 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.831 -7.401 8.272 1.00 0.00 H new ATOM 0 HG LEU B 69 7.850 -4.644 7.841 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.424 -5.625 5.638 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.026 -6.619 6.986 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.568 -7.117 6.095 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.421 -4.257 5.891 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.448 -5.681 6.328 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.498 -4.271 7.412 1.00 0.00 H new ATOM 1826 N HIS B 70 5.116 -8.285 10.075 1.00 0.00 N ATOM 1827 CA HIS B 70 4.766 -9.316 11.052 1.00 0.00 C ATOM 1828 C HIS B 70 5.742 -9.405 12.226 1.00 0.00 C ATOM 1829 O HIS B 70 5.310 -9.444 13.377 1.00 0.00 O ATOM 1830 CB HIS B 70 4.642 -10.676 10.369 1.00 0.00 C ATOM 1831 CG HIS B 70 3.406 -10.804 9.534 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.209 -10.188 9.832 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.198 -11.482 8.381 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.335 -10.504 8.868 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.884 -11.286 7.969 1.00 0.00 N ATOM 0 H HIS B 70 5.292 -8.643 9.136 1.00 0.00 H new ATOM 0 HA HIS B 70 3.804 -9.021 11.472 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.517 -10.841 9.740 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.643 -11.458 11.128 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.934 -12.079 7.864 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.312 -10.160 8.835 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.438 -11.672 7.137 1.00 0.00 H new ATOM 1843 N ALA B 71 7.039 -9.407 11.950 1.00 0.00 N ATOM 1844 CA ALA B 71 8.038 -9.521 13.014 1.00 0.00 C ATOM 1845 C ALA B 71 8.100 -8.258 13.869 1.00 0.00 C ATOM 1846 O ALA B 71 8.502 -8.297 15.030 1.00 0.00 O ATOM 1847 CB ALA B 71 9.407 -9.825 12.422 1.00 0.00 C ATOM 0 H ALA B 71 7.426 -9.332 11.009 1.00 0.00 H new ATOM 0 HA ALA B 71 7.737 -10.344 13.662 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.140 -9.907 13.224 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.365 -10.765 11.871 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.698 -9.021 11.746 1.00 0.00 H new ATOM 1853 N GLY B 72 7.659 -7.150 13.298 1.00 0.00 N ATOM 1854 CA GLY B 72 7.688 -5.882 14.002 1.00 0.00 C ATOM 1855 C GLY B 72 8.554 -4.899 13.259 1.00 0.00 C ATOM 1856 O GLY B 72 9.101 -3.955 13.827 1.00 0.00 O ATOM 0 H GLY B 72 7.278 -7.104 12.353 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.677 -5.487 14.099 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.072 -6.026 15.012 1.00 0.00 H new ATOM 1860 N ASP B 73 8.643 -5.138 11.965 1.00 0.00 N ATOM 1861 CA ASP B 73 9.434 -4.337 11.057 1.00 0.00 C ATOM 1862 C ASP B 73 8.625 -3.123 10.665 1.00 0.00 C ATOM 1863 O ASP B 73 7.404 -3.135 10.803 1.00 0.00 O ATOM 1864 CB ASP B 73 9.780 -5.164 9.812 1.00 0.00 C ATOM 1865 CG ASP B 73 9.991 -6.637 10.123 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.991 -7.331 10.442 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.144 -7.101 10.045 1.00 0.00 O ATOM 0 H ASP B 73 8.157 -5.910 11.509 1.00 0.00 H new ATOM 0 HA ASP B 73 10.361 -4.024 11.537 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.979 -5.063 9.080 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.683 -4.761 9.353 1.00 0.00 H new ATOM 1872 N THR B 74 9.270 -2.079 10.185 1.00 0.00 N ATOM 1873 CA THR B 74 8.543 -0.884 9.807 1.00 0.00 C ATOM 1874 C THR B 74 9.172 -0.175 8.616 1.00 0.00 C ATOM 1875 O THR B 74 10.394 -0.057 8.516 1.00 0.00 O ATOM 1876 CB THR B 74 8.456 0.098 10.990 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.658 0.031 11.768 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.265 -0.209 11.879 1.00 0.00 C ATOM 0 H THR B 74 10.280 -2.033 10.049 1.00 0.00 H new ATOM 0 HA THR B 74 7.543 -1.209 9.520 1.00 0.00 H new ATOM 0 HB THR B 74 8.331 1.101 10.582 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.598 0.659 12.518 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.234 0.503 12.704 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.347 -0.131 11.297 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.358 -1.220 12.276 1.00 0.00 H new ATOM 1886 N THR B 75 8.323 0.275 7.707 1.00 0.00 N ATOM 1887 CA THR B 75 8.760 0.996 6.530 1.00 0.00 C ATOM 1888 C THR B 75 8.030 2.335 6.443 1.00 0.00 C ATOM 1889 O THR B 75 6.814 2.375 6.240 1.00 0.00 O ATOM 1890 CB THR B 75 8.492 0.176 5.254 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.565 -1.226 5.554 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.502 0.520 4.169 1.00 0.00 C ATOM 0 H THR B 75 7.313 0.149 7.767 1.00 0.00 H new ATOM 0 HA THR B 75 9.833 1.169 6.611 1.00 0.00 H new ATOM 0 HB THR B 75 7.494 0.421 4.890 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.909 -1.710 4.774 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.293 -0.071 3.277 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.429 1.580 3.927 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.508 0.297 4.525 1.00 0.00 H new ATOM 1900 N ASN B 76 8.770 3.422 6.627 1.00 0.00 N ATOM 1901 CA ASN B 76 8.196 4.768 6.581 1.00 0.00 C ATOM 1902 C ASN B 76 8.173 5.329 5.168 1.00 0.00 C ATOM 1903 O ASN B 76 9.188 5.339 4.479 1.00 0.00 O ATOM 1904 CB ASN B 76 8.984 5.722 7.481 1.00 0.00 C ATOM 1905 CG ASN B 76 8.442 5.790 8.893 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.792 4.863 9.374 1.00 0.00 O ATOM 1907 ND2 ASN B 76 8.718 6.891 9.569 1.00 0.00 N ATOM 0 H ASN B 76 9.773 3.401 6.810 1.00 0.00 H new ATOM 0 HA ASN B 76 7.169 4.684 6.937 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.026 5.404 7.513 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.969 6.720 7.044 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.389 6.996 10.529 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.261 7.636 9.131 1.00 0.00 H new ATOM 1914 N PHE B 77 7.012 5.799 4.748 1.00 0.00 N ATOM 1915 CA PHE B 77 6.854 6.386 3.428 1.00 0.00 C ATOM 1916 C PHE B 77 6.360 7.819 3.551 1.00 0.00 C ATOM 1917 O PHE B 77 5.197 8.062 3.878 1.00 0.00 O ATOM 1918 CB PHE B 77 5.894 5.554 2.576 1.00 0.00 C ATOM 1919 CG PHE B 77 6.463 4.221 2.189 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.820 3.046 2.537 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.653 4.148 1.483 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.355 1.820 2.187 1.00 0.00 C ATOM 1923 CE2 PHE B 77 8.190 2.928 1.130 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.541 1.762 1.482 1.00 0.00 C ATOM 0 H PHE B 77 6.158 5.785 5.306 1.00 0.00 H new ATOM 0 HA PHE B 77 7.824 6.392 2.931 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.966 5.401 3.127 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.641 6.111 1.674 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.892 3.087 3.087 1.00 0.00 H new ATOM 0 HD2 PHE B 77 8.166 5.057 1.206 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.846 0.909 2.465 1.00 0.00 H new ATOM 0 HE2 PHE B 77 9.118 2.885 0.579 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.960 0.806 1.206 1.00 0.00 H new ATOM 1934 N HIS B 78 7.260 8.757 3.301 1.00 0.00 N ATOM 1935 CA HIS B 78 6.958 10.178 3.390 1.00 0.00 C ATOM 1936 C HIS B 78 6.391 10.680 2.070 1.00 0.00 C ATOM 1937 O HIS B 78 7.024 10.567 1.032 1.00 0.00 O ATOM 1938 CB HIS B 78 8.245 10.940 3.770 1.00 0.00 C ATOM 1939 CG HIS B 78 8.188 12.442 3.635 1.00 0.00 C ATOM 1940 ND1 HIS B 78 9.311 13.242 3.587 1.00 0.00 N ATOM 1941 CD2 HIS B 78 7.129 13.284 3.517 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.908 14.509 3.437 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.594 14.589 3.390 1.00 0.00 N ATOM 0 H HIS B 78 8.222 8.555 3.030 1.00 0.00 H new ATOM 0 HA HIS B 78 6.204 10.350 4.159 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.496 10.697 4.802 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.060 10.570 3.148 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.091 12.988 3.521 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.574 15.356 3.364 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.033 15.434 3.283 1.00 0.00 H new ATOM 1951 N PHE B 79 5.194 11.231 2.116 1.00 0.00 N ATOM 1952 CA PHE B 79 4.563 11.757 0.920 1.00 0.00 C ATOM 1953 C PHE B 79 5.054 13.178 0.665 1.00 0.00 C ATOM 1954 O PHE B 79 4.493 14.143 1.182 1.00 0.00 O ATOM 1955 CB PHE B 79 3.041 11.718 1.063 1.00 0.00 C ATOM 1956 CG PHE B 79 2.485 10.321 1.113 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.968 9.725 -0.025 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.487 9.601 2.298 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.463 8.439 0.017 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.983 8.315 2.345 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.471 7.734 1.203 1.00 0.00 C ATOM 0 H PHE B 79 4.639 11.326 2.967 1.00 0.00 H new ATOM 0 HA PHE B 79 4.835 11.138 0.065 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.754 12.249 1.971 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.590 12.252 0.226 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.959 10.271 -0.956 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.887 10.050 3.195 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.062 7.986 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.990 7.765 3.275 1.00 0.00 H new ATOM 0 HZ PHE B 79 1.077 6.729 1.237 1.00 0.00 H new ATOM 1971 N SER B 80 6.113 13.294 -0.130 1.00 0.00 N ATOM 1972 CA SER B 80 6.708 14.583 -0.446 1.00 0.00 C ATOM 1973 C SER B 80 5.957 15.295 -1.572 1.00 0.00 C ATOM 1974 O SER B 80 6.502 16.176 -2.244 1.00 0.00 O ATOM 1975 CB SER B 80 8.185 14.399 -0.814 1.00 0.00 C ATOM 1976 OG SER B 80 8.421 13.127 -1.400 1.00 0.00 O ATOM 0 H SER B 80 6.579 12.500 -0.570 1.00 0.00 H new ATOM 0 HA SER B 80 6.634 15.214 0.440 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.488 15.183 -1.508 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.800 14.509 0.079 1.00 0.00 H new ATOM 0 HG SER B 80 9.119 13.206 -2.083 1.00 0.00 H new ATOM 1982 N ASN B 81 4.708 14.916 -1.786 1.00 0.00 N ATOM 1983 CA ASN B 81 3.902 15.550 -2.808 1.00 0.00 C ATOM 1984 C ASN B 81 2.997 16.587 -2.162 1.00 0.00 C ATOM 1985 O ASN B 81 1.885 16.287 -1.750 1.00 0.00 O ATOM 1986 CB ASN B 81 3.076 14.523 -3.584 1.00 0.00 C ATOM 1987 CG ASN B 81 2.767 14.997 -4.991 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.526 15.771 -5.577 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.660 14.538 -5.545 1.00 0.00 N ATOM 0 H ASN B 81 4.235 14.176 -1.267 1.00 0.00 H new ATOM 0 HA ASN B 81 4.565 16.039 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.619 13.579 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.144 14.329 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.407 14.823 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.058 13.898 -5.027 1.00 0.00 H new ATOM 1996 N GLU B 82 3.501 17.809 -2.085 1.00 0.00 N ATOM 1997 CA GLU B 82 2.790 18.935 -1.476 1.00 0.00 C ATOM 1998 C GLU B 82 1.376 19.119 -2.035 1.00 0.00 C ATOM 1999 O GLU B 82 0.490 19.602 -1.332 1.00 0.00 O ATOM 2000 CB GLU B 82 3.601 20.229 -1.670 1.00 0.00 C ATOM 2001 CG GLU B 82 3.713 20.703 -3.121 1.00 0.00 C ATOM 2002 CD GLU B 82 4.330 19.665 -4.040 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.565 19.492 -4.008 1.00 0.00 O ATOM 2004 OE2 GLU B 82 3.576 18.983 -4.766 1.00 0.00 O ATOM 0 H GLU B 82 4.423 18.055 -2.445 1.00 0.00 H new ATOM 0 HA GLU B 82 2.686 18.711 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.143 21.021 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.605 20.075 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU B 82 2.721 20.962 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.313 21.612 -3.155 1.00 0.00 H new ATOM 2011 N SER B 83 1.176 18.724 -3.285 1.00 0.00 N ATOM 2012 CA SER B 83 -0.118 18.864 -3.937 1.00 0.00 C ATOM 2013 C SER B 83 -1.227 18.084 -3.216 1.00 0.00 C ATOM 2014 O SER B 83 -2.200 18.674 -2.745 1.00 0.00 O ATOM 2015 CB SER B 83 -0.005 18.401 -5.391 1.00 0.00 C ATOM 2016 OG SER B 83 1.077 19.043 -6.051 1.00 0.00 O ATOM 0 H SER B 83 1.897 18.302 -3.870 1.00 0.00 H new ATOM 0 HA SER B 83 -0.397 19.917 -3.899 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.136 17.321 -5.422 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.935 18.616 -5.917 1.00 0.00 H new ATOM 0 HG SER B 83 1.916 18.823 -5.594 1.00 0.00 H new ATOM 2022 N THR B 84 -1.087 16.766 -3.121 1.00 0.00 N ATOM 2023 CA THR B 84 -2.104 15.947 -2.471 1.00 0.00 C ATOM 2024 C THR B 84 -1.505 14.947 -1.481 1.00 0.00 C ATOM 2025 O THR B 84 -1.994 13.828 -1.362 1.00 0.00 O ATOM 2026 CB THR B 84 -2.942 15.195 -3.523 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.148 14.937 -4.687 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.175 15.997 -3.911 1.00 0.00 C ATOM 0 H THR B 84 -0.287 16.246 -3.482 1.00 0.00 H new ATOM 0 HA THR B 84 -2.743 16.627 -1.907 1.00 0.00 H new ATOM 0 HB THR B 84 -3.267 14.250 -3.088 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.248 14.660 -4.414 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.749 15.444 -4.655 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.792 16.166 -3.028 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.869 16.956 -4.329 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.489 15.376 -0.739 1.00 0.00 N ATOM 2037 CA ALA B 85 0.201 14.513 0.229 1.00 0.00 C ATOM 2038 C ALA B 85 -0.762 13.805 1.173 1.00 0.00 C ATOM 2039 O ALA B 85 -0.614 12.615 1.445 1.00 0.00 O ATOM 2040 CB ALA B 85 1.202 15.323 1.042 1.00 0.00 C ATOM 0 H ALA B 85 -0.118 16.325 -0.787 1.00 0.00 H new ATOM 0 HA ALA B 85 0.720 13.748 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.705 14.670 1.755 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.939 15.767 0.373 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.679 16.113 1.581 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.760 14.529 1.650 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.724 13.974 2.577 1.00 0.00 C ATOM 2048 C VAL B 86 -3.673 13.013 1.866 1.00 0.00 C ATOM 2049 O VAL B 86 -4.013 11.957 2.389 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.544 15.099 3.249 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.650 14.529 4.121 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.656 16.008 4.073 1.00 0.00 C ATOM 0 H VAL B 86 -1.922 15.506 1.408 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.171 13.427 3.340 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.998 15.686 2.451 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.209 15.345 4.580 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.322 13.928 3.509 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.213 13.905 4.901 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.262 16.789 4.533 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.162 15.426 4.851 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.904 16.464 3.429 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.050 13.364 0.645 1.00 0.00 N ATOM 2063 CA LYS B 87 -4.999 12.564 -0.118 1.00 0.00 C ATOM 2064 C LYS B 87 -4.366 11.323 -0.733 1.00 0.00 C ATOM 2065 O LYS B 87 -4.990 10.263 -0.756 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.690 13.434 -1.165 1.00 0.00 C ATOM 2067 CG LYS B 87 -6.647 14.433 -0.527 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.356 13.803 0.664 1.00 0.00 C ATOM 2069 CE LYS B 87 -7.459 14.752 1.847 1.00 0.00 C ATOM 2070 NZ LYS B 87 -7.843 14.033 3.095 1.00 0.00 N ATOM 0 H LYS B 87 -3.714 14.197 0.161 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.752 12.191 0.576 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.939 13.970 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.238 12.799 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.098 15.318 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.381 14.764 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.356 13.491 0.364 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.820 12.904 0.969 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.503 15.255 1.995 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.196 15.526 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.708 14.661 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.842 13.748 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.248 13.187 3.206 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.142 11.433 -1.229 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.470 10.271 -1.790 1.00 0.00 C ATOM 2086 C GLU B 88 -2.153 9.310 -0.654 1.00 0.00 C ATOM 2087 O GLU B 88 -2.161 8.092 -0.830 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.207 10.671 -2.557 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.500 11.518 -3.784 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.289 12.278 -4.280 1.00 0.00 C ATOM 2091 OE1 GLU B 88 -0.135 13.459 -3.899 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.501 11.710 -5.060 1.00 0.00 O ATOM 0 H GLU B 88 -2.602 12.298 -1.255 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.124 9.781 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.544 11.223 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.674 9.771 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.871 10.875 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.295 12.226 -3.549 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.899 9.876 0.525 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.646 9.080 1.713 1.00 0.00 C ATOM 2101 C ARG B 89 -2.927 8.351 2.083 1.00 0.00 C ATOM 2102 O ARG B 89 -2.904 7.188 2.476 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.182 9.965 2.877 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.011 9.221 4.196 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.246 9.350 5.076 1.00 0.00 C ATOM 2106 NE ARG B 89 -1.939 9.969 6.362 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.765 10.793 7.015 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.951 11.116 6.506 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.395 11.309 8.176 1.00 0.00 N ATOM 0 H ARG B 89 -1.864 10.884 0.677 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.851 8.363 1.508 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.233 10.431 2.609 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -1.904 10.770 3.017 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.814 8.168 3.997 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.143 9.614 4.726 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.999 9.944 4.559 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.677 8.363 5.243 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.037 9.760 6.790 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.241 10.734 5.606 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.570 11.746 7.016 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.483 11.078 8.569 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.022 11.938 8.678 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.044 9.061 1.953 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.358 8.502 2.245 1.00 0.00 C ATOM 2125 C ASP B 90 -5.645 7.350 1.301 1.00 0.00 C ATOM 2126 O ASP B 90 -6.126 6.300 1.722 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.454 9.564 2.106 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.627 10.403 3.356 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -6.987 11.595 3.229 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.411 9.870 4.466 1.00 0.00 O ATOM 0 H ASP B 90 -4.063 10.033 1.644 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.355 8.145 3.275 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.215 10.217 1.267 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.399 9.074 1.870 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.330 7.553 0.023 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.535 6.535 -0.993 1.00 0.00 C ATOM 2137 C ALA B 91 -4.792 5.259 -0.624 1.00 0.00 C ATOM 2138 O ALA B 91 -5.364 4.171 -0.630 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.078 7.045 -2.352 1.00 0.00 C ATOM 0 H ALA B 91 -4.929 8.422 -0.330 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.600 6.309 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.238 6.272 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.650 7.933 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.018 7.296 -2.309 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.516 5.405 -0.280 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.691 4.266 0.106 1.00 0.00 C ATOM 2147 C VAL B 92 -3.185 3.665 1.415 1.00 0.00 C ATOM 2148 O VAL B 92 -3.231 2.452 1.575 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.207 4.668 0.273 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.369 3.481 0.727 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.653 5.239 -1.019 1.00 0.00 C ATOM 0 H VAL B 92 -3.031 6.302 -0.261 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.770 3.530 -0.694 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.156 5.439 1.042 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.670 3.790 0.837 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.742 3.117 1.684 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.434 2.685 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.392 5.514 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.727 4.491 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.226 6.122 -1.301 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.583 4.532 2.332 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.053 4.114 3.642 1.00 0.00 C ATOM 2163 C LYS B 93 -5.326 3.284 3.537 1.00 0.00 C ATOM 2164 O LYS B 93 -5.378 2.154 4.020 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.291 5.349 4.516 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.820 5.038 5.904 1.00 0.00 C ATOM 2167 CD LYS B 93 -6.230 5.575 6.098 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.256 7.089 6.026 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.467 7.598 5.322 1.00 0.00 N ATOM 0 H LYS B 93 -3.589 5.542 2.190 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.289 3.486 4.099 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.354 5.898 4.611 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.997 6.008 4.010 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.815 3.960 6.063 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.158 5.473 6.653 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.888 5.161 5.334 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.617 5.248 7.063 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.225 7.500 7.035 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.363 7.442 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.278 8.552 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.704 6.962 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.265 7.637 5.988 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.333 3.847 2.886 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.624 3.186 2.724 1.00 0.00 C ATOM 2185 C ASP B 94 -7.521 1.926 1.872 1.00 0.00 C ATOM 2186 O ASP B 94 -8.176 0.914 2.151 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.635 4.158 2.113 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.402 4.935 3.169 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.601 4.629 3.376 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.804 5.834 3.808 1.00 0.00 O ATOM 0 H ASP B 94 -6.281 4.771 2.456 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.964 2.880 3.713 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.114 4.857 1.459 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.338 3.604 1.491 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.686 1.974 0.854 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.515 0.829 -0.030 1.00 0.00 C ATOM 2197 C LEU B 95 -5.699 -0.248 0.664 1.00 0.00 C ATOM 2198 O LEU B 95 -5.800 -1.424 0.328 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.854 1.243 -1.346 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.015 0.244 -2.494 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.486 0.000 -2.792 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.296 0.742 -3.738 1.00 0.00 C ATOM 0 H LEU B 95 -6.117 2.786 0.616 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.500 0.427 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.269 2.201 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.790 1.399 -1.167 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.566 -0.701 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.578 -0.713 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.975 -0.402 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.961 0.940 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.421 0.019 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.716 1.701 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.235 0.863 -3.521 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.890 0.149 1.636 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.105 -0.817 2.377 1.00 0.00 C ATOM 2216 C LEU B 96 -5.019 -1.609 3.291 1.00 0.00 C ATOM 2217 O LEU B 96 -5.033 -2.826 3.216 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.978 -0.160 3.145 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.669 -0.057 2.365 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.590 0.578 3.215 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.225 -1.426 1.877 1.00 0.00 C ATOM 0 H LEU B 96 -4.763 1.119 1.924 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.633 -1.500 1.671 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.291 0.841 3.443 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.800 -0.724 4.061 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.840 0.578 1.496 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.334 0.642 2.641 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.903 1.579 3.512 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.423 -0.029 4.105 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.291 -1.330 1.324 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.074 -2.086 2.732 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.991 -1.846 1.225 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.784 -0.931 4.162 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.763 -1.627 5.001 1.00 0.00 C ATOM 2235 C GLN B 97 -7.663 -2.517 4.139 1.00 0.00 C ATOM 2236 O GLN B 97 -8.314 -3.438 4.635 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.613 -0.622 5.775 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.782 0.698 5.070 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.930 1.870 6.018 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.479 2.907 5.657 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.488 1.704 7.239 1.00 0.00 N ATOM 0 H GLN B 97 -5.743 0.079 4.300 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.224 -2.252 5.713 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.597 -1.055 5.957 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.156 -0.448 6.749 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.921 0.869 4.423 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.660 0.648 4.426 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.037 0.828 7.503 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.595 2.450 7.926 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.727 -2.191 2.854 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.494 -2.960 1.892 1.00 0.00 C ATOM 2252 C GLN B 98 -7.739 -4.201 1.401 1.00 0.00 C ATOM 2253 O GLN B 98 -8.246 -5.316 1.485 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.849 -2.070 0.696 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.165 -1.343 0.859 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.849 -1.704 2.157 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -10.697 -1.018 3.166 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.590 -2.794 2.142 1.00 0.00 N ATOM 0 H GLN B 98 -7.247 -1.385 2.453 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.398 -3.305 2.393 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.054 -1.339 0.548 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.890 -2.683 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.992 -0.267 0.826 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.821 -1.586 0.023 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.688 -3.332 1.281 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.066 -3.099 2.991 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.522 -4.003 0.910 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.732 -5.096 0.341 1.00 0.00 C ATOM 2269 C LEU B 99 -4.882 -5.863 1.359 1.00 0.00 C ATOM 2270 O LEU B 99 -4.684 -7.068 1.211 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.829 -4.543 -0.755 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.573 -3.952 -1.948 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.666 -3.030 -2.744 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.117 -5.056 -2.833 1.00 0.00 C ATOM 0 H LEU B 99 -6.057 -3.095 0.893 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.450 -5.815 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.187 -3.774 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.177 -5.342 -1.109 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.411 -3.365 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.217 -2.619 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.323 -2.216 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.806 -3.592 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.645 -4.617 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.293 -5.669 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.805 -5.677 -2.259 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.389 -5.174 2.381 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.525 -5.791 3.395 1.00 0.00 C ATOM 2288 C LEU B 100 -4.101 -7.096 3.961 1.00 0.00 C ATOM 2289 O LEU B 100 -3.483 -8.150 3.811 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.208 -4.802 4.528 1.00 0.00 C ATOM 2291 CG LEU B 100 -1.970 -3.937 4.293 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -1.765 -2.937 5.432 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -0.750 -4.822 4.129 1.00 0.00 C ATOM 0 H LEU B 100 -4.571 -4.182 2.535 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.597 -6.052 2.886 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.069 -4.149 4.673 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.073 -5.362 5.453 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.119 -3.363 3.378 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.876 -2.337 5.234 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.635 -2.284 5.504 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.637 -3.476 6.371 1.00 0.00 H new ATOM 0 HD21 LEU B 100 0.130 -4.201 3.962 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.608 -5.417 5.031 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -0.894 -5.485 3.276 1.00 0.00 H new