USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1006 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 848 ASN :FLIP amide:sc= -0.345 F(o=-8.3,f=-4.2) USER MOD Set 1.2: B 851 ASN : amide:sc= -2.22 K(o=-4.2,f=-5.2) USER MOD Set 1.3: B 882 ASN :FLIP amide:sc= -1.64! F(o=-8.3,f=-4.2!) USER MOD Set 2.1: A 256 THR OG1 : rot -86:sc= 0.446 USER MOD Set 2.2: A 274 CYS SG : rot 111:sc= -3.14! USER MOD Set 3.1: A 248 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 251 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.9!) USER MOD Set 4.1: A 240 THR OG1 : rot -45:sc= 0.994 USER MOD Set 4.2: A 250 SER OG : rot -160:sc= 0.291 USER MOD Single : A 233 SER OG : rot 180:sc= 0 USER MOD Single : A 236 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 238 CYS SG : rot 64:sc= 1.05 USER MOD Single : A 241 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot -130:sc= -0.985 USER MOD Single : A 246 ASN :FLIP amide:sc= -0.078 F(o=-0.84,f=-0.078) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot 180:sc= -0.184 USER MOD Single : A 262 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 280 GLN :FLIP amide:sc= -0.207 F(o=-1.2,f=-0.21) USER MOD Single : A 281 LYS NZ :NH3+ 167:sc= 0.809 (180deg=0.717) USER MOD Single : A 290 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 295 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 833 TYR OH : rot 180:sc= 0.616 USER MOD Single : B 834 ASN : amide:sc= -2.89! X(o=-2.9!,f=-2.7) USER MOD Single : B 838 GLN : amide:sc= -0.914 K(o=-0.91,f=-3.1!) USER MOD Single : B 843 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.14) USER MOD Single : B 844 MET CE :methyl -126:sc= -0.987 (180deg=-1.73) USER MOD Single : B 850 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 852 CYS SG : rot 40:sc= -3.72! USER MOD Single : B 854 SER OG : rot 79:sc= 0.672 USER MOD Single : B 856 MET CE :methyl -123:sc= -0.67 (180deg=-0.696) USER MOD Single : B 857 HIS :FLIP no HE2:sc= 0.341 F(o=-1.3,f=0.34) USER MOD Single : B 858 HIS :FLIP no HE2:sc= 0.124 F(o=-0.54,f=0.12) USER MOD Single : B 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 861 ASN : amide:sc= -1.91! C(o=-1.9!,f=-13!) USER MOD Single : B 869 SER OG : rot 180:sc= 0 USER MOD Single : B 870 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 874 THR OG1 : rot 77:sc= 0.54 USER MOD Single : B 875 SER OG : rot 180:sc= 0 USER MOD Single : B 879 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 884 LYS NZ :NH3+ -108:sc= 0.171 (180deg=0) USER MOD Single : B 885 GLN :FLIP amide:sc= -1.26 F(o=-3.2!,f=-1.3) USER MOD Single : B 887 TYR OH : rot 180:sc= 0 USER MOD Single : B 891 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : B 892 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : B 893 SER OG : rot 66:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 335 N ASP A 230 -12.357 3.006 -5.610 1.00 0.00 N ATOM 336 CA ASP A 230 -10.958 3.421 -5.518 1.00 0.00 C ATOM 337 C ASP A 230 -10.233 2.563 -4.508 1.00 0.00 C ATOM 338 O ASP A 230 -9.195 1.999 -4.812 1.00 0.00 O ATOM 339 CB ASP A 230 -10.812 4.908 -5.185 1.00 0.00 C ATOM 340 CG ASP A 230 -9.349 5.354 -5.063 1.00 0.00 C ATOM 341 OD1 ASP A 230 -8.566 5.179 -6.028 1.00 0.00 O ATOM 342 OD2 ASP A 230 -8.971 5.900 -4.015 1.00 0.00 O ATOM 0 HA ASP A 230 -10.504 3.279 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 230 -11.303 5.498 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 230 -11.329 5.118 -4.249 1.00 0.00 H new ATOM 347 N LEU A 231 -10.851 2.392 -3.345 1.00 0.00 N ATOM 348 CA LEU A 231 -10.308 1.573 -2.255 1.00 0.00 C ATOM 349 C LEU A 231 -9.934 0.183 -2.718 1.00 0.00 C ATOM 350 O LEU A 231 -8.787 -0.241 -2.553 1.00 0.00 O ATOM 351 CB LEU A 231 -11.316 1.483 -1.106 1.00 0.00 C ATOM 352 CG LEU A 231 -11.541 2.764 -0.288 1.00 0.00 C ATOM 353 CD1 LEU A 231 -12.559 2.539 0.810 1.00 0.00 C ATOM 354 CD2 LEU A 231 -10.238 3.283 0.298 1.00 0.00 C ATOM 0 H LEU A 231 -11.751 2.819 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 231 -9.398 2.062 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -12.275 1.169 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -10.988 0.697 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 231 -11.932 3.520 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -12.698 3.462 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -13.509 2.236 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -12.204 1.756 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -10.432 4.190 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -9.806 2.526 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -9.540 3.506 -0.509 1.00 0.00 H new ATOM 366 N VAL A 232 -10.869 -0.494 -3.341 1.00 0.00 N ATOM 367 CA VAL A 232 -10.652 -1.848 -3.765 1.00 0.00 C ATOM 368 C VAL A 232 -9.607 -1.943 -4.879 1.00 0.00 C ATOM 369 O VAL A 232 -8.767 -2.839 -4.869 1.00 0.00 O ATOM 370 CB VAL A 232 -11.976 -2.565 -4.151 1.00 0.00 C ATOM 371 CG1 VAL A 232 -12.662 -1.912 -5.345 1.00 0.00 C ATOM 372 CG2 VAL A 232 -11.741 -4.032 -4.413 1.00 0.00 C ATOM 0 H VAL A 232 -11.792 -0.122 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 232 -10.247 -2.379 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 232 -12.647 -2.466 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 232 -13.582 -2.450 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 232 -12.898 -0.875 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 232 -11.998 -1.944 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 232 -12.684 -4.509 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 232 -11.031 -4.146 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 232 -11.339 -4.502 -3.516 1.00 0.00 H new ATOM 382 N SER A 233 -9.611 -1.002 -5.784 1.00 0.00 N ATOM 383 CA SER A 233 -8.670 -1.030 -6.863 1.00 0.00 C ATOM 384 C SER A 233 -7.256 -0.739 -6.358 1.00 0.00 C ATOM 385 O SER A 233 -6.307 -1.408 -6.760 1.00 0.00 O ATOM 386 CB SER A 233 -9.097 -0.067 -7.949 1.00 0.00 C ATOM 387 OG SER A 233 -10.413 -0.390 -8.398 1.00 0.00 O ATOM 0 H SER A 233 -10.254 -0.210 -5.793 1.00 0.00 H new ATOM 0 HA SER A 233 -8.652 -2.030 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 233 -9.074 0.955 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 233 -8.397 -0.114 -8.784 1.00 0.00 H new ATOM 0 HG SER A 233 -10.683 0.239 -9.100 1.00 0.00 H new ATOM 393 N ARG A 234 -7.135 0.206 -5.423 1.00 0.00 N ATOM 394 CA ARG A 234 -5.841 0.568 -4.854 1.00 0.00 C ATOM 395 C ARG A 234 -5.200 -0.607 -4.162 1.00 0.00 C ATOM 396 O ARG A 234 -4.064 -0.957 -4.464 1.00 0.00 O ATOM 397 CB ARG A 234 -5.966 1.705 -3.842 1.00 0.00 C ATOM 398 CG ARG A 234 -6.410 3.026 -4.400 1.00 0.00 C ATOM 399 CD ARG A 234 -5.458 3.508 -5.444 1.00 0.00 C ATOM 400 NE ARG A 234 -5.805 4.837 -5.904 1.00 0.00 N ATOM 401 CZ ARG A 234 -4.944 5.683 -6.461 1.00 0.00 C ATOM 402 NH1 ARG A 234 -3.668 5.322 -6.649 1.00 0.00 N ATOM 403 NH2 ARG A 234 -5.352 6.882 -6.827 1.00 0.00 N ATOM 0 H ARG A 234 -7.922 0.734 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 234 -5.221 0.892 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 234 -6.672 1.402 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 234 -5.000 1.843 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 234 -7.407 2.928 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 234 -6.479 3.760 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 234 -4.446 3.514 -5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 234 -5.461 2.817 -6.287 1.00 0.00 H new ATOM 0 HE ARG A 234 -6.772 5.143 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 234 -3.353 4.394 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 234 -3.011 5.975 -7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 234 -6.324 7.156 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 234 -4.696 7.535 -7.255 1.00 0.00 H new ATOM 417 N VAL A 235 -5.942 -1.228 -3.257 1.00 0.00 N ATOM 418 CA VAL A 235 -5.426 -2.339 -2.475 1.00 0.00 C ATOM 419 C VAL A 235 -5.019 -3.501 -3.366 1.00 0.00 C ATOM 420 O VAL A 235 -3.913 -4.020 -3.244 1.00 0.00 O ATOM 421 CB VAL A 235 -6.421 -2.785 -1.355 1.00 0.00 C ATOM 422 CG1 VAL A 235 -7.779 -3.142 -1.884 1.00 0.00 C ATOM 423 CG2 VAL A 235 -5.839 -3.871 -0.461 1.00 0.00 C ATOM 0 H VAL A 235 -6.908 -0.979 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 235 -4.528 -1.985 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 235 -6.571 -1.910 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 235 -8.424 -3.443 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 235 -8.213 -2.277 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 235 -7.689 -3.965 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 235 -6.569 -4.146 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 235 -5.596 -4.746 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 235 -4.935 -3.500 0.021 1.00 0.00 H new ATOM 433 N THR A 236 -5.882 -3.843 -4.289 1.00 0.00 N ATOM 434 CA THR A 236 -5.620 -4.918 -5.228 1.00 0.00 C ATOM 435 C THR A 236 -4.322 -4.634 -6.028 1.00 0.00 C ATOM 436 O THR A 236 -3.429 -5.481 -6.066 1.00 0.00 O ATOM 437 CB THR A 236 -6.819 -5.133 -6.178 1.00 0.00 C ATOM 438 OG1 THR A 236 -8.022 -5.283 -5.394 1.00 0.00 O ATOM 439 CG2 THR A 236 -6.643 -6.395 -7.002 1.00 0.00 C ATOM 0 H THR A 236 -6.786 -3.388 -4.415 1.00 0.00 H new ATOM 0 HA THR A 236 -5.480 -5.838 -4.661 1.00 0.00 H new ATOM 0 HB THR A 236 -6.883 -4.272 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 236 -8.496 -4.426 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 236 -7.501 -6.521 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 236 -5.735 -6.316 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 236 -6.566 -7.256 -6.338 1.00 0.00 H new ATOM 447 N GLU A 237 -4.202 -3.409 -6.598 1.00 0.00 N ATOM 448 CA GLU A 237 -2.991 -3.002 -7.338 1.00 0.00 C ATOM 449 C GLU A 237 -1.743 -3.152 -6.479 1.00 0.00 C ATOM 450 O GLU A 237 -0.748 -3.746 -6.914 1.00 0.00 O ATOM 451 CB GLU A 237 -3.063 -1.537 -7.784 1.00 0.00 C ATOM 452 CG GLU A 237 -4.015 -1.217 -8.922 1.00 0.00 C ATOM 453 CD GLU A 237 -3.544 -1.771 -10.235 1.00 0.00 C ATOM 454 OE1 GLU A 237 -2.600 -1.210 -10.844 1.00 0.00 O ATOM 455 OE2 GLU A 237 -4.099 -2.765 -10.699 1.00 0.00 O ATOM 0 H GLU A 237 -4.927 -2.693 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 237 -2.938 -3.656 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -3.347 -0.933 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -2.062 -1.221 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -5.001 -1.622 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -4.126 -0.136 -9.006 1.00 0.00 H new ATOM 462 N CYS A 238 -1.820 -2.641 -5.251 1.00 0.00 N ATOM 463 CA CYS A 238 -0.691 -2.611 -4.345 1.00 0.00 C ATOM 464 C CYS A 238 -0.112 -3.995 -4.109 1.00 0.00 C ATOM 465 O CYS A 238 1.077 -4.190 -4.261 1.00 0.00 O ATOM 466 CB CYS A 238 -1.067 -1.945 -3.015 1.00 0.00 C ATOM 467 SG CYS A 238 -1.580 -0.216 -3.155 1.00 0.00 S ATOM 0 H CYS A 238 -2.673 -2.237 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 238 0.084 -2.011 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 238 -1.875 -2.514 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 238 -0.213 -2.003 -2.341 1.00 0.00 H new ATOM 0 HG CYS A 238 -2.676 -0.143 -3.851 1.00 0.00 H new ATOM 473 N LEU A 239 -0.955 -4.968 -3.811 1.00 0.00 N ATOM 474 CA LEU A 239 -0.454 -6.311 -3.507 1.00 0.00 C ATOM 475 C LEU A 239 0.017 -6.974 -4.822 1.00 0.00 C ATOM 476 O LEU A 239 0.994 -7.706 -4.858 1.00 0.00 O ATOM 477 CB LEU A 239 -1.545 -7.190 -2.834 1.00 0.00 C ATOM 478 CG LEU A 239 -2.690 -6.472 -2.080 1.00 0.00 C ATOM 479 CD1 LEU A 239 -3.676 -7.468 -1.562 1.00 0.00 C ATOM 480 CD2 LEU A 239 -2.198 -5.630 -0.930 1.00 0.00 C ATOM 0 H LEU A 239 -1.969 -4.865 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 239 0.376 -6.224 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.994 -7.816 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -1.049 -7.858 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 239 -3.162 -5.807 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -4.475 -6.948 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -4.097 -8.030 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.176 -8.154 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -3.046 -5.152 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -1.675 -6.263 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -1.517 -4.866 -1.304 1.00 0.00 H new ATOM 492 N THR A 240 -0.670 -6.629 -5.890 1.00 0.00 N ATOM 493 CA THR A 240 -0.424 -7.124 -7.247 1.00 0.00 C ATOM 494 C THR A 240 0.915 -6.613 -7.858 1.00 0.00 C ATOM 495 O THR A 240 1.415 -7.158 -8.863 1.00 0.00 O ATOM 496 CB THR A 240 -1.676 -6.816 -8.143 1.00 0.00 C ATOM 497 OG1 THR A 240 -2.674 -7.833 -7.960 1.00 0.00 O ATOM 498 CG2 THR A 240 -1.378 -6.609 -9.624 1.00 0.00 C ATOM 0 H THR A 240 -1.448 -5.971 -5.845 1.00 0.00 H new ATOM 0 HA THR A 240 -0.291 -8.205 -7.201 1.00 0.00 H new ATOM 0 HB THR A 240 -2.050 -5.851 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 240 -2.250 -8.716 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 240 -2.306 -6.402 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 240 -0.696 -5.767 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 240 -0.918 -7.509 -10.032 1.00 0.00 H new ATOM 506 N THR A 241 1.529 -5.629 -7.221 1.00 0.00 N ATOM 507 CA THR A 241 2.810 -5.128 -7.698 1.00 0.00 C ATOM 508 C THR A 241 3.899 -6.201 -7.547 1.00 0.00 C ATOM 509 O THR A 241 4.929 -6.180 -8.251 1.00 0.00 O ATOM 510 CB THR A 241 3.235 -3.872 -6.938 1.00 0.00 C ATOM 511 OG1 THR A 241 3.362 -4.159 -5.542 1.00 0.00 O ATOM 512 CG2 THR A 241 2.220 -2.777 -7.150 1.00 0.00 C ATOM 0 H THR A 241 1.170 -5.167 -6.386 1.00 0.00 H new ATOM 0 HA THR A 241 2.688 -4.876 -8.751 1.00 0.00 H new ATOM 0 HB THR A 241 4.202 -3.540 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 241 2.475 -4.154 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 241 2.529 -1.884 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 241 2.149 -2.547 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 241 1.247 -3.107 -6.785 1.00 0.00 H new ATOM 520 N VAL A 242 3.644 -7.152 -6.661 1.00 0.00 N ATOM 521 CA VAL A 242 4.526 -8.261 -6.445 1.00 0.00 C ATOM 522 C VAL A 242 4.365 -9.236 -7.594 1.00 0.00 C ATOM 523 O VAL A 242 3.248 -9.614 -7.933 1.00 0.00 O ATOM 524 CB VAL A 242 4.216 -8.991 -5.110 1.00 0.00 C ATOM 525 CG1 VAL A 242 5.204 -10.107 -4.849 1.00 0.00 C ATOM 526 CG2 VAL A 242 4.206 -8.017 -3.963 1.00 0.00 C ATOM 0 H VAL A 242 2.810 -7.165 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 242 5.547 -7.884 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 242 3.225 -9.436 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 242 4.959 -10.597 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 242 5.155 -10.834 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 242 6.212 -9.695 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 242 3.987 -8.548 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 242 5.182 -7.537 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 242 3.442 -7.259 -4.136 1.00 0.00 H new ATOM 536 N LYS A 243 5.479 -9.622 -8.182 1.00 0.00 N ATOM 537 CA LYS A 243 5.540 -10.559 -9.305 1.00 0.00 C ATOM 538 C LYS A 243 4.699 -11.798 -9.064 1.00 0.00 C ATOM 539 O LYS A 243 3.896 -12.201 -9.911 1.00 0.00 O ATOM 540 CB LYS A 243 6.997 -10.971 -9.531 1.00 0.00 C ATOM 541 CG LYS A 243 7.193 -12.149 -10.467 1.00 0.00 C ATOM 542 CD LYS A 243 8.672 -12.507 -10.622 1.00 0.00 C ATOM 543 CE LYS A 243 9.502 -11.330 -11.132 1.00 0.00 C ATOM 544 NZ LYS A 243 10.916 -11.700 -11.339 1.00 0.00 N ATOM 0 H LYS A 243 6.397 -9.288 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 243 5.138 -10.055 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 243 7.543 -10.116 -9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 243 7.444 -11.214 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 243 6.648 -13.012 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 243 6.771 -11.912 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 243 9.066 -12.838 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 243 8.771 -13.345 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 243 9.081 -10.969 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 243 9.443 -10.508 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 11.444 -10.874 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 11.326 -12.021 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 10.975 -12.467 -12.039 1.00 0.00 H new ATOM 558 N SER A 244 4.849 -12.355 -7.908 1.00 0.00 N ATOM 559 CA SER A 244 4.214 -13.580 -7.564 1.00 0.00 C ATOM 560 C SER A 244 2.728 -13.397 -7.183 1.00 0.00 C ATOM 561 O SER A 244 1.994 -14.376 -7.040 1.00 0.00 O ATOM 562 CB SER A 244 4.985 -14.171 -6.419 1.00 0.00 C ATOM 563 OG SER A 244 6.376 -14.016 -6.639 1.00 0.00 O ATOM 0 H SER A 244 5.427 -11.963 -7.164 1.00 0.00 H new ATOM 0 HA SER A 244 4.216 -14.242 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 244 4.699 -13.683 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 244 4.741 -15.228 -6.313 1.00 0.00 H new ATOM 0 HG SER A 244 6.826 -14.876 -6.506 1.00 0.00 H new ATOM 569 N VAL A 245 2.287 -12.165 -7.026 1.00 0.00 N ATOM 570 CA VAL A 245 0.922 -11.914 -6.633 1.00 0.00 C ATOM 571 C VAL A 245 0.080 -11.449 -7.815 1.00 0.00 C ATOM 572 O VAL A 245 0.208 -10.314 -8.295 1.00 0.00 O ATOM 573 CB VAL A 245 0.832 -10.901 -5.458 1.00 0.00 C ATOM 574 CG1 VAL A 245 -0.613 -10.631 -5.065 1.00 0.00 C ATOM 575 CG2 VAL A 245 1.595 -11.429 -4.265 1.00 0.00 C ATOM 0 H VAL A 245 2.853 -11.328 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 245 0.516 -12.862 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 245 1.273 -9.961 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 245 -0.639 -9.918 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 245 -1.151 -10.218 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 245 -1.086 -11.563 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 245 1.528 -10.714 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 245 1.167 -12.382 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 245 2.641 -11.573 -4.537 1.00 0.00 H new ATOM 585 N ASN A 246 -0.745 -12.343 -8.295 1.00 0.00 N ATOM 586 CA ASN A 246 -1.689 -12.063 -9.377 1.00 0.00 C ATOM 587 C ASN A 246 -2.843 -11.250 -8.853 1.00 0.00 C ATOM 588 O ASN A 246 -2.920 -10.969 -7.655 1.00 0.00 O ATOM 589 CB ASN A 246 -2.224 -13.377 -9.981 1.00 0.00 C ATOM 590 CG ASN A 246 -1.363 -13.936 -11.083 1.00 0.00 C ATOM 591 OD1 ASN A 246 -0.990 -13.090 -11.988 1.00 0.00 O flip ATOM 592 ND2 ASN A 246 -1.151 -15.145 -11.177 1.00 0.00 N flip ATOM 0 H ASN A 246 -0.791 -13.302 -7.950 1.00 0.00 H new ATOM 0 HA ASN A 246 -1.167 -11.502 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -2.312 -14.121 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -3.228 -13.205 -10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -1.463 -15.776 -10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -0.663 -15.515 -11.993 1.00 0.00 H new ATOM 599 N LYS A 247 -3.762 -10.892 -9.718 1.00 0.00 N ATOM 600 CA LYS A 247 -4.928 -10.150 -9.300 1.00 0.00 C ATOM 601 C LYS A 247 -5.886 -11.077 -8.570 1.00 0.00 C ATOM 602 O LYS A 247 -6.690 -10.649 -7.736 1.00 0.00 O ATOM 603 CB LYS A 247 -5.615 -9.451 -10.481 1.00 0.00 C ATOM 604 CG LYS A 247 -6.835 -8.647 -10.062 1.00 0.00 C ATOM 605 CD LYS A 247 -7.430 -7.850 -11.193 1.00 0.00 C ATOM 606 CE LYS A 247 -8.667 -7.111 -10.715 1.00 0.00 C ATOM 607 NZ LYS A 247 -9.197 -6.204 -11.738 1.00 0.00 N ATOM 0 H LYS A 247 -3.725 -11.102 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 247 -4.609 -9.362 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -4.901 -8.790 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -5.913 -10.199 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -7.591 -9.324 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.557 -7.970 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.696 -7.139 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -7.689 -8.513 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -9.435 -7.833 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -8.425 -6.542 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -10.041 -5.720 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -8.474 -5.499 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -9.453 -6.749 -12.586 1.00 0.00 H new ATOM 621 N THR A 248 -5.752 -12.361 -8.830 1.00 0.00 N ATOM 622 CA THR A 248 -6.591 -13.318 -8.166 1.00 0.00 C ATOM 623 C THR A 248 -5.993 -13.555 -6.783 1.00 0.00 C ATOM 624 O THR A 248 -6.695 -13.776 -5.793 1.00 0.00 O ATOM 625 CB THR A 248 -6.750 -14.657 -8.981 1.00 0.00 C ATOM 626 OG1 THR A 248 -7.727 -15.517 -8.356 1.00 0.00 O ATOM 627 CG2 THR A 248 -5.423 -15.414 -9.113 1.00 0.00 C ATOM 0 H THR A 248 -5.079 -12.755 -9.487 1.00 0.00 H new ATOM 0 HA THR A 248 -7.605 -12.926 -8.081 1.00 0.00 H new ATOM 0 HB THR A 248 -7.085 -14.380 -9.981 1.00 0.00 H new ATOM 0 HG1 THR A 248 -7.815 -16.344 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 248 -5.582 -16.330 -9.682 1.00 0.00 H new ATOM 0 HG22 THR A 248 -4.696 -14.787 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 248 -5.046 -15.664 -8.121 1.00 0.00 H new ATOM 635 N ASP A 249 -4.693 -13.392 -6.714 1.00 0.00 N ATOM 636 CA ASP A 249 -3.967 -13.556 -5.499 1.00 0.00 C ATOM 637 C ASP A 249 -4.241 -12.405 -4.577 1.00 0.00 C ATOM 638 O ASP A 249 -4.614 -12.606 -3.428 1.00 0.00 O ATOM 639 CB ASP A 249 -2.474 -13.661 -5.758 1.00 0.00 C ATOM 640 CG ASP A 249 -2.050 -14.954 -6.386 1.00 0.00 C ATOM 641 OD1 ASP A 249 -2.269 -16.007 -5.802 1.00 0.00 O ATOM 642 OD2 ASP A 249 -1.481 -14.933 -7.483 1.00 0.00 O ATOM 0 H ASP A 249 -4.113 -13.139 -7.514 1.00 0.00 H new ATOM 0 HA ASP A 249 -4.299 -14.484 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 249 -2.170 -12.838 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 249 -1.943 -13.537 -4.814 1.00 0.00 H new ATOM 647 N SER A 250 -4.110 -11.201 -5.095 1.00 0.00 N ATOM 648 CA SER A 250 -4.313 -10.007 -4.320 1.00 0.00 C ATOM 649 C SER A 250 -5.718 -9.936 -3.737 1.00 0.00 C ATOM 650 O SER A 250 -5.872 -9.675 -2.555 1.00 0.00 O ATOM 651 CB SER A 250 -3.980 -8.783 -5.152 1.00 0.00 C ATOM 652 OG SER A 250 -4.613 -8.847 -6.406 1.00 0.00 O ATOM 0 H SER A 250 -3.859 -11.029 -6.068 1.00 0.00 H new ATOM 0 HA SER A 250 -3.634 -10.035 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 250 -4.296 -7.882 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 250 -2.901 -8.712 -5.287 1.00 0.00 H new ATOM 0 HG SER A 250 -4.161 -8.243 -7.032 1.00 0.00 H new ATOM 658 N GLN A 251 -6.735 -10.235 -4.542 1.00 0.00 N ATOM 659 CA GLN A 251 -8.113 -10.218 -4.043 1.00 0.00 C ATOM 660 C GLN A 251 -8.294 -11.297 -2.955 1.00 0.00 C ATOM 661 O GLN A 251 -9.115 -11.150 -2.055 1.00 0.00 O ATOM 662 CB GLN A 251 -9.132 -10.428 -5.168 1.00 0.00 C ATOM 663 CG GLN A 251 -9.123 -11.821 -5.774 1.00 0.00 C ATOM 664 CD GLN A 251 -10.082 -11.989 -6.932 1.00 0.00 C ATOM 665 OE1 GLN A 251 -9.837 -12.789 -7.842 1.00 0.00 O ATOM 666 NE2 GLN A 251 -11.181 -11.263 -6.920 1.00 0.00 N ATOM 0 H GLN A 251 -6.638 -10.488 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 251 -8.296 -9.233 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 251 -10.130 -10.220 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 251 -8.938 -9.701 -5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 251 -8.114 -12.053 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 251 -9.373 -12.546 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 251 -11.354 -10.612 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 251 -11.859 -11.352 -7.676 1.00 0.00 H new ATOM 675 N THR A 252 -7.517 -12.379 -3.039 1.00 0.00 N ATOM 676 CA THR A 252 -7.546 -13.386 -2.000 1.00 0.00 C ATOM 677 C THR A 252 -6.983 -12.785 -0.677 1.00 0.00 C ATOM 678 O THR A 252 -7.479 -13.070 0.414 1.00 0.00 O ATOM 679 CB THR A 252 -6.789 -14.678 -2.398 1.00 0.00 C ATOM 680 OG1 THR A 252 -7.293 -15.171 -3.658 1.00 0.00 O ATOM 681 CG2 THR A 252 -7.010 -15.760 -1.358 1.00 0.00 C ATOM 0 H THR A 252 -6.873 -12.571 -3.806 1.00 0.00 H new ATOM 0 HA THR A 252 -8.584 -13.682 -1.850 1.00 0.00 H new ATOM 0 HB THR A 252 -5.728 -14.440 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 252 -6.813 -14.737 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 252 -6.472 -16.662 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 252 -6.642 -15.416 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 252 -8.075 -15.981 -1.283 1.00 0.00 H new ATOM 689 N LEU A 253 -5.987 -11.907 -0.788 1.00 0.00 N ATOM 690 CA LEU A 253 -5.493 -11.172 0.377 1.00 0.00 C ATOM 691 C LEU A 253 -6.561 -10.187 0.870 1.00 0.00 C ATOM 692 O LEU A 253 -6.650 -9.874 2.070 1.00 0.00 O ATOM 693 CB LEU A 253 -4.174 -10.428 0.111 1.00 0.00 C ATOM 694 CG LEU A 253 -2.853 -11.220 0.159 1.00 0.00 C ATOM 695 CD1 LEU A 253 -2.675 -11.936 1.483 1.00 0.00 C ATOM 696 CD2 LEU A 253 -2.709 -12.173 -1.000 1.00 0.00 C ATOM 0 H LEU A 253 -5.510 -11.688 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 253 -5.284 -11.914 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -4.247 -9.968 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -4.100 -9.618 0.836 1.00 0.00 H new ATOM 0 HG LEU A 253 -2.052 -10.486 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -1.732 -12.483 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.666 -11.207 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.498 -12.634 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -1.761 -12.705 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -3.530 -12.890 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -2.731 -11.614 -1.936 1.00 0.00 H new ATOM 708 N LEU A 254 -7.392 -9.734 -0.046 1.00 0.00 N ATOM 709 CA LEU A 254 -8.486 -8.857 0.287 1.00 0.00 C ATOM 710 C LEU A 254 -9.566 -9.605 1.071 1.00 0.00 C ATOM 711 O LEU A 254 -10.069 -9.118 2.059 1.00 0.00 O ATOM 712 CB LEU A 254 -9.134 -8.219 -0.947 1.00 0.00 C ATOM 713 CG LEU A 254 -8.571 -6.890 -1.431 1.00 0.00 C ATOM 714 CD1 LEU A 254 -7.212 -6.985 -2.061 1.00 0.00 C ATOM 715 CD2 LEU A 254 -9.553 -6.181 -2.312 1.00 0.00 C ATOM 0 H LEU A 254 -7.325 -9.965 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 254 -8.055 -8.063 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 254 -9.066 -8.932 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 254 -10.194 -8.078 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 254 -8.415 -6.289 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 254 -6.887 -5.994 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 254 -6.503 -7.386 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 254 -7.258 -7.645 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 254 -9.127 -5.235 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 254 -9.778 -6.802 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 254 -10.470 -5.990 -1.755 1.00 0.00 H new ATOM 727 N THR A 255 -9.902 -10.795 0.630 1.00 0.00 N ATOM 728 CA THR A 255 -10.941 -11.566 1.284 1.00 0.00 C ATOM 729 C THR A 255 -10.472 -12.085 2.670 1.00 0.00 C ATOM 730 O THR A 255 -11.291 -12.396 3.531 1.00 0.00 O ATOM 731 CB THR A 255 -11.474 -12.730 0.368 1.00 0.00 C ATOM 732 OG1 THR A 255 -12.659 -13.316 0.919 1.00 0.00 O ATOM 733 CG2 THR A 255 -10.439 -13.822 0.198 1.00 0.00 C ATOM 0 H THR A 255 -9.475 -11.252 -0.176 1.00 0.00 H new ATOM 0 HA THR A 255 -11.783 -10.895 1.458 1.00 0.00 H new ATOM 0 HB THR A 255 -11.695 -12.286 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 255 -12.972 -14.035 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 255 -10.842 -14.609 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 255 -9.543 -13.405 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 255 -10.187 -14.239 1.173 1.00 0.00 H new ATOM 741 N THR A 256 -9.163 -12.165 2.879 1.00 0.00 N ATOM 742 CA THR A 256 -8.650 -12.575 4.163 1.00 0.00 C ATOM 743 C THR A 256 -8.436 -11.369 5.120 1.00 0.00 C ATOM 744 O THR A 256 -8.929 -11.393 6.259 1.00 0.00 O ATOM 745 CB THR A 256 -7.369 -13.485 4.036 1.00 0.00 C ATOM 746 OG1 THR A 256 -6.908 -13.940 5.312 1.00 0.00 O ATOM 747 CG2 THR A 256 -6.257 -12.771 3.337 1.00 0.00 C ATOM 0 H THR A 256 -8.452 -11.952 2.179 1.00 0.00 H new ATOM 0 HA THR A 256 -9.418 -13.198 4.622 1.00 0.00 H new ATOM 0 HB THR A 256 -7.667 -14.350 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 256 -6.307 -13.270 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 256 -5.390 -13.428 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 256 -6.579 -12.488 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 256 -5.990 -11.876 3.899 1.00 0.00 H new ATOM 755 N PHE A 257 -7.745 -10.307 4.673 1.00 0.00 N ATOM 756 CA PHE A 257 -7.451 -9.192 5.590 1.00 0.00 C ATOM 757 C PHE A 257 -8.155 -7.886 5.202 1.00 0.00 C ATOM 758 O PHE A 257 -8.428 -7.050 6.059 1.00 0.00 O ATOM 759 CB PHE A 257 -5.941 -8.948 5.649 1.00 0.00 C ATOM 760 CG PHE A 257 -5.142 -10.191 5.901 1.00 0.00 C ATOM 761 CD1 PHE A 257 -5.449 -11.027 6.960 1.00 0.00 C ATOM 762 CD2 PHE A 257 -4.117 -10.544 5.048 1.00 0.00 C ATOM 763 CE1 PHE A 257 -4.743 -12.188 7.164 1.00 0.00 C ATOM 764 CE2 PHE A 257 -3.408 -11.704 5.248 1.00 0.00 C ATOM 765 CZ PHE A 257 -3.722 -12.528 6.307 1.00 0.00 C ATOM 0 H PHE A 257 -7.392 -10.196 3.723 1.00 0.00 H new ATOM 0 HA PHE A 257 -7.834 -9.489 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 257 -5.616 -8.502 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 257 -5.729 -8.224 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 257 -6.252 -10.764 7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 257 -3.869 -9.903 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 257 -4.989 -12.832 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 257 -2.605 -11.970 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 257 -3.166 -13.441 6.464 1.00 0.00 H new ATOM 775 N GLY A 258 -8.449 -7.737 3.919 1.00 0.00 N ATOM 776 CA GLY A 258 -9.169 -6.564 3.358 1.00 0.00 C ATOM 777 C GLY A 258 -8.621 -5.173 3.691 1.00 0.00 C ATOM 778 O GLY A 258 -9.285 -4.176 3.417 1.00 0.00 O ATOM 0 H GLY A 258 -8.197 -8.429 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 258 -9.187 -6.668 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 258 -10.203 -6.609 3.700 1.00 0.00 H new ATOM 782 N SER A 259 -7.468 -5.092 4.275 1.00 0.00 N ATOM 783 CA SER A 259 -6.885 -3.838 4.663 1.00 0.00 C ATOM 784 C SER A 259 -5.386 -3.917 4.503 1.00 0.00 C ATOM 785 O SER A 259 -4.795 -4.981 4.743 1.00 0.00 O ATOM 786 CB SER A 259 -7.251 -3.542 6.116 1.00 0.00 C ATOM 787 OG SER A 259 -8.640 -3.370 6.275 1.00 0.00 O ATOM 0 H SER A 259 -6.893 -5.904 4.501 1.00 0.00 H new ATOM 0 HA SER A 259 -7.266 -3.035 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 259 -6.910 -4.359 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 259 -6.732 -2.642 6.447 1.00 0.00 H new ATOM 0 HG SER A 259 -8.841 -3.184 7.216 1.00 0.00 H new ATOM 793 N LEU A 260 -4.763 -2.821 4.114 1.00 0.00 N ATOM 794 CA LEU A 260 -3.331 -2.825 3.904 1.00 0.00 C ATOM 795 C LEU A 260 -2.613 -2.883 5.252 1.00 0.00 C ATOM 796 O LEU A 260 -1.618 -3.587 5.386 1.00 0.00 O ATOM 797 CB LEU A 260 -2.891 -1.620 3.031 1.00 0.00 C ATOM 798 CG LEU A 260 -1.461 -1.661 2.416 1.00 0.00 C ATOM 799 CD1 LEU A 260 -1.362 -0.662 1.291 1.00 0.00 C ATOM 800 CD2 LEU A 260 -0.377 -1.349 3.445 1.00 0.00 C ATOM 0 H LEU A 260 -5.221 -1.927 3.939 1.00 0.00 H new ATOM 0 HA LEU A 260 -3.047 -3.717 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.605 -1.518 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -2.970 -0.718 3.638 1.00 0.00 H new ATOM 0 HG LEU A 260 -1.299 -2.675 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -0.360 -0.694 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -2.093 -0.908 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -1.561 0.339 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 260 0.602 -1.390 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -0.539 -0.352 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -0.418 -2.082 4.251 1.00 0.00 H new ATOM 812 N GLU A 261 -3.151 -2.178 6.263 1.00 0.00 N ATOM 813 CA GLU A 261 -2.590 -2.208 7.624 1.00 0.00 C ATOM 814 C GLU A 261 -2.508 -3.642 8.142 1.00 0.00 C ATOM 815 O GLU A 261 -1.548 -4.016 8.779 1.00 0.00 O ATOM 816 CB GLU A 261 -3.421 -1.369 8.612 1.00 0.00 C ATOM 817 CG GLU A 261 -4.874 -1.826 8.751 1.00 0.00 C ATOM 818 CD GLU A 261 -5.568 -1.248 9.949 1.00 0.00 C ATOM 819 OE1 GLU A 261 -5.240 -1.649 11.072 1.00 0.00 O ATOM 820 OE2 GLU A 261 -6.460 -0.413 9.787 1.00 0.00 O ATOM 0 H GLU A 261 -3.972 -1.582 6.163 1.00 0.00 H new ATOM 0 HA GLU A 261 -1.591 -1.777 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 261 -2.945 -1.404 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 261 -3.408 -0.328 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 261 -5.423 -1.546 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 261 -4.901 -2.914 8.815 1.00 0.00 H new ATOM 827 N GLN A 262 -3.522 -4.432 7.819 1.00 0.00 N ATOM 828 CA GLN A 262 -3.606 -5.818 8.237 1.00 0.00 C ATOM 829 C GLN A 262 -2.602 -6.672 7.482 1.00 0.00 C ATOM 830 O GLN A 262 -2.063 -7.614 8.029 1.00 0.00 O ATOM 831 CB GLN A 262 -5.017 -6.357 8.005 1.00 0.00 C ATOM 832 CG GLN A 262 -6.115 -5.697 8.833 1.00 0.00 C ATOM 833 CD GLN A 262 -5.960 -5.943 10.318 1.00 0.00 C ATOM 834 OE1 GLN A 262 -6.467 -6.938 10.847 1.00 0.00 O ATOM 835 NE2 GLN A 262 -5.325 -5.032 11.010 1.00 0.00 N ATOM 0 H GLN A 262 -4.314 -4.124 7.255 1.00 0.00 H new ATOM 0 HA GLN A 262 -3.374 -5.864 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 262 -5.263 -6.241 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 262 -5.019 -7.426 8.217 1.00 0.00 H new ATOM 0 HG2 GLN A 262 -6.109 -4.623 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 262 -7.085 -6.073 8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 262 -4.919 -4.224 10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 262 -5.236 -5.130 12.021 1.00 0.00 H new ATOM 844 N LEU A 263 -2.338 -6.300 6.240 1.00 0.00 N ATOM 845 CA LEU A 263 -1.433 -7.049 5.364 1.00 0.00 C ATOM 846 C LEU A 263 -0.022 -6.933 5.903 1.00 0.00 C ATOM 847 O LEU A 263 0.674 -7.912 6.087 1.00 0.00 O ATOM 848 CB LEU A 263 -1.430 -6.426 3.968 1.00 0.00 C ATOM 849 CG LEU A 263 -0.941 -7.302 2.824 1.00 0.00 C ATOM 850 CD1 LEU A 263 -2.068 -8.156 2.265 1.00 0.00 C ATOM 851 CD2 LEU A 263 -0.282 -6.456 1.766 1.00 0.00 C ATOM 0 H LEU A 263 -2.742 -5.471 5.805 1.00 0.00 H new ATOM 0 HA LEU A 263 -1.762 -8.087 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -2.446 -6.104 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -0.810 -5.530 3.998 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.190 -7.993 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.688 -8.771 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.461 -8.800 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.863 -7.510 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 263 0.064 -7.094 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.000 -5.732 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.568 -5.928 2.199 1.00 0.00 H new ATOM 863 N ILE A 264 0.365 -5.702 6.159 1.00 0.00 N ATOM 864 CA ILE A 264 1.699 -5.377 6.618 1.00 0.00 C ATOM 865 C ILE A 264 1.896 -5.794 8.086 1.00 0.00 C ATOM 866 O ILE A 264 3.007 -6.151 8.500 1.00 0.00 O ATOM 867 CB ILE A 264 2.016 -3.851 6.332 1.00 0.00 C ATOM 868 CG1 ILE A 264 3.467 -3.424 6.675 1.00 0.00 C ATOM 869 CG2 ILE A 264 1.013 -2.934 7.015 1.00 0.00 C ATOM 870 CD1 ILE A 264 3.745 -3.142 8.145 1.00 0.00 C ATOM 0 H ILE A 264 -0.243 -4.890 6.053 1.00 0.00 H new ATOM 0 HA ILE A 264 2.432 -5.954 6.054 1.00 0.00 H new ATOM 0 HB ILE A 264 1.919 -3.743 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 264 4.145 -4.209 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 264 3.708 -2.529 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 264 1.262 -1.896 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 264 0.011 -3.152 6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 264 1.047 -3.096 8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 264 4.789 -2.852 8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 264 3.101 -2.333 8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 264 3.545 -4.039 8.732 1.00 0.00 H new ATOM 882 N ALA A 265 0.819 -5.784 8.853 1.00 0.00 N ATOM 883 CA ALA A 265 0.879 -6.206 10.246 1.00 0.00 C ATOM 884 C ALA A 265 1.030 -7.715 10.329 1.00 0.00 C ATOM 885 O ALA A 265 1.594 -8.252 11.293 1.00 0.00 O ATOM 886 CB ALA A 265 -0.358 -5.754 11.007 1.00 0.00 C ATOM 0 H ALA A 265 -0.105 -5.490 8.538 1.00 0.00 H new ATOM 0 HA ALA A 265 1.748 -5.738 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 265 -0.287 -6.082 12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 265 -0.428 -4.667 10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 265 -1.246 -6.189 10.549 1.00 0.00 H new ATOM 892 N ALA A 266 0.555 -8.387 9.306 1.00 0.00 N ATOM 893 CA ALA A 266 0.615 -9.813 9.226 1.00 0.00 C ATOM 894 C ALA A 266 2.022 -10.230 8.863 1.00 0.00 C ATOM 895 O ALA A 266 2.728 -9.528 8.134 1.00 0.00 O ATOM 896 CB ALA A 266 -0.376 -10.308 8.187 1.00 0.00 C ATOM 0 H ALA A 266 0.112 -7.945 8.500 1.00 0.00 H new ATOM 0 HA ALA A 266 0.353 -10.252 10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 266 -0.328 -11.395 8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 266 -1.383 -10.004 8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 266 -0.128 -9.881 7.215 1.00 0.00 H new ATOM 902 N SER A 267 2.459 -11.315 9.406 1.00 0.00 N ATOM 903 CA SER A 267 3.761 -11.807 9.110 1.00 0.00 C ATOM 904 C SER A 267 3.626 -12.905 8.061 1.00 0.00 C ATOM 905 O SER A 267 2.504 -13.230 7.661 1.00 0.00 O ATOM 906 CB SER A 267 4.383 -12.323 10.392 1.00 0.00 C ATOM 907 OG SER A 267 4.247 -11.348 11.422 1.00 0.00 O ATOM 0 H SER A 267 1.927 -11.884 10.065 1.00 0.00 H new ATOM 0 HA SER A 267 4.409 -11.026 8.711 1.00 0.00 H new ATOM 0 HB2 SER A 267 3.900 -13.253 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 267 5.437 -12.549 10.230 1.00 0.00 H new ATOM 0 HG SER A 267 4.649 -11.687 12.249 1.00 0.00 H new ATOM 913 N ARG A 268 4.742 -13.478 7.621 1.00 0.00 N ATOM 914 CA ARG A 268 4.740 -14.528 6.590 1.00 0.00 C ATOM 915 C ARG A 268 3.828 -15.698 6.962 1.00 0.00 C ATOM 916 O ARG A 268 3.239 -16.311 6.098 1.00 0.00 O ATOM 917 CB ARG A 268 6.155 -15.026 6.344 1.00 0.00 C ATOM 918 CG ARG A 268 7.092 -13.958 5.837 1.00 0.00 C ATOM 919 CD ARG A 268 8.480 -14.493 5.552 1.00 0.00 C ATOM 920 NE ARG A 268 9.080 -15.170 6.717 1.00 0.00 N ATOM 921 CZ ARG A 268 10.395 -15.183 7.009 1.00 0.00 C ATOM 922 NH1 ARG A 268 11.267 -14.580 6.204 1.00 0.00 N ATOM 923 NH2 ARG A 268 10.831 -15.819 8.096 1.00 0.00 N ATOM 0 H ARG A 268 5.672 -13.234 7.962 1.00 0.00 H new ATOM 0 HA ARG A 268 4.347 -14.085 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 268 6.553 -15.436 7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 268 6.124 -15.842 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 268 6.681 -13.520 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 268 7.159 -13.158 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 268 8.431 -15.191 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 268 9.125 -13.671 5.243 1.00 0.00 H new ATOM 0 HE ARG A 268 8.452 -15.666 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 268 10.940 -14.106 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 268 12.262 -14.592 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 268 10.169 -16.296 8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 268 11.827 -15.828 8.316 1.00 0.00 H new ATOM 937 N GLU A 269 3.691 -15.972 8.242 1.00 0.00 N ATOM 938 CA GLU A 269 2.820 -17.040 8.691 1.00 0.00 C ATOM 939 C GLU A 269 1.337 -16.724 8.476 1.00 0.00 C ATOM 940 O GLU A 269 0.585 -17.548 7.948 1.00 0.00 O ATOM 941 CB GLU A 269 3.144 -17.487 10.139 1.00 0.00 C ATOM 942 CG GLU A 269 3.469 -16.368 11.158 1.00 0.00 C ATOM 943 CD GLU A 269 2.311 -15.455 11.505 1.00 0.00 C ATOM 944 OE1 GLU A 269 1.477 -15.829 12.353 1.00 0.00 O ATOM 945 OE2 GLU A 269 2.216 -14.353 10.934 1.00 0.00 O ATOM 0 H GLU A 269 4.171 -15.471 8.990 1.00 0.00 H new ATOM 0 HA GLU A 269 3.028 -17.900 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 269 2.294 -18.055 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 269 3.993 -18.170 10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 269 3.835 -16.829 12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 269 4.282 -15.761 10.760 1.00 0.00 H new ATOM 952 N ASP A 270 0.948 -15.526 8.813 1.00 0.00 N ATOM 953 CA ASP A 270 -0.433 -15.105 8.719 1.00 0.00 C ATOM 954 C ASP A 270 -0.780 -14.824 7.269 1.00 0.00 C ATOM 955 O ASP A 270 -1.889 -15.068 6.821 1.00 0.00 O ATOM 956 CB ASP A 270 -0.650 -13.887 9.606 1.00 0.00 C ATOM 957 CG ASP A 270 -2.088 -13.667 9.985 1.00 0.00 C ATOM 958 OD1 ASP A 270 -2.668 -14.566 10.639 1.00 0.00 O ATOM 959 OD2 ASP A 270 -2.621 -12.566 9.767 1.00 0.00 O ATOM 0 H ASP A 270 1.579 -14.806 9.163 1.00 0.00 H new ATOM 0 HA ASP A 270 -1.097 -15.895 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 270 -0.057 -13.999 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 270 -0.279 -13.001 9.090 1.00 0.00 H new ATOM 964 N LEU A 271 0.211 -14.378 6.519 1.00 0.00 N ATOM 965 CA LEU A 271 0.060 -14.162 5.087 1.00 0.00 C ATOM 966 C LEU A 271 -0.069 -15.506 4.341 1.00 0.00 C ATOM 967 O LEU A 271 -0.738 -15.590 3.316 1.00 0.00 O ATOM 968 CB LEU A 271 1.236 -13.350 4.522 1.00 0.00 C ATOM 969 CG LEU A 271 1.392 -11.904 5.015 1.00 0.00 C ATOM 970 CD1 LEU A 271 2.675 -11.295 4.477 1.00 0.00 C ATOM 971 CD2 LEU A 271 0.200 -11.061 4.591 1.00 0.00 C ATOM 0 H LEU A 271 1.139 -14.156 6.880 1.00 0.00 H new ATOM 0 HA LEU A 271 -0.855 -13.590 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 271 2.157 -13.886 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 271 1.141 -13.328 3.436 1.00 0.00 H new ATOM 0 HG LEU A 271 1.439 -11.920 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 271 2.770 -10.270 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.528 -11.880 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 271 2.650 -11.297 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 271 0.330 -10.040 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 271 0.126 -11.056 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.712 -11.481 5.015 1.00 0.00 H new ATOM 983 N ALA A 272 0.562 -16.554 4.867 1.00 0.00 N ATOM 984 CA ALA A 272 0.464 -17.890 4.269 1.00 0.00 C ATOM 985 C ALA A 272 -0.764 -18.626 4.799 1.00 0.00 C ATOM 986 O ALA A 272 -1.158 -19.675 4.274 1.00 0.00 O ATOM 987 CB ALA A 272 1.724 -18.701 4.538 1.00 0.00 C ATOM 0 H ALA A 272 1.145 -16.508 5.703 1.00 0.00 H new ATOM 0 HA ALA A 272 0.360 -17.769 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 272 1.626 -19.687 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 272 2.585 -18.188 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 272 1.865 -18.809 5.614 1.00 0.00 H new ATOM 993 N LEU A 273 -1.365 -18.057 5.828 1.00 0.00 N ATOM 994 CA LEU A 273 -2.558 -18.586 6.453 1.00 0.00 C ATOM 995 C LEU A 273 -3.772 -18.451 5.543 1.00 0.00 C ATOM 996 O LEU A 273 -4.721 -19.238 5.644 1.00 0.00 O ATOM 997 CB LEU A 273 -2.756 -17.880 7.818 1.00 0.00 C ATOM 998 CG LEU A 273 -4.135 -17.960 8.487 1.00 0.00 C ATOM 999 CD1 LEU A 273 -3.973 -17.810 9.974 1.00 0.00 C ATOM 1000 CD2 LEU A 273 -5.042 -16.827 7.995 1.00 0.00 C ATOM 0 H LEU A 273 -1.028 -17.196 6.260 1.00 0.00 H new ATOM 0 HA LEU A 273 -2.440 -19.655 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 273 -2.025 -18.291 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 273 -2.512 -16.826 7.685 1.00 0.00 H new ATOM 0 HG LEU A 273 -4.582 -18.922 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 273 -4.950 -17.866 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 273 -3.336 -18.609 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 273 -3.515 -16.846 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 273 -6.015 -16.902 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 273 -4.588 -15.866 8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 273 -5.169 -16.906 6.915 1.00 0.00 H new ATOM 1012 N CYS A 274 -3.724 -17.464 4.670 1.00 0.00 N ATOM 1013 CA CYS A 274 -4.786 -17.178 3.701 1.00 0.00 C ATOM 1014 C CYS A 274 -5.218 -18.454 2.962 1.00 0.00 C ATOM 1015 O CYS A 274 -4.367 -19.280 2.607 1.00 0.00 O ATOM 1016 CB CYS A 274 -4.270 -16.165 2.699 1.00 0.00 C ATOM 1017 SG CYS A 274 -3.535 -14.726 3.466 1.00 0.00 S ATOM 0 H CYS A 274 -2.935 -16.821 4.606 1.00 0.00 H new ATOM 0 HA CYS A 274 -5.652 -16.783 4.233 1.00 0.00 H new ATOM 0 HB2 CYS A 274 -3.531 -16.643 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 274 -5.092 -15.847 2.058 1.00 0.00 H new ATOM 0 HG CYS A 274 -2.252 -14.731 3.258 1.00 0.00 H new ATOM 1023 N PRO A 275 -6.532 -18.636 2.729 1.00 0.00 N ATOM 1024 CA PRO A 275 -7.058 -19.867 2.112 1.00 0.00 C ATOM 1025 C PRO A 275 -6.477 -20.119 0.716 1.00 0.00 C ATOM 1026 O PRO A 275 -6.709 -19.334 -0.212 1.00 0.00 O ATOM 1027 CB PRO A 275 -8.575 -19.592 2.019 1.00 0.00 C ATOM 1028 CG PRO A 275 -8.701 -18.104 2.106 1.00 0.00 C ATOM 1029 CD PRO A 275 -7.606 -17.665 3.023 1.00 0.00 C ATOM 0 HA PRO A 275 -6.800 -20.755 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 275 -8.989 -19.970 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 275 -9.116 -20.083 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 275 -8.599 -17.643 1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 275 -9.678 -17.815 2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 275 -7.293 -16.641 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 275 -7.913 -17.704 4.068 1.00 0.00 H new ATOM 1037 N GLY A 276 -5.723 -21.232 0.605 1.00 0.00 N ATOM 1038 CA GLY A 276 -5.081 -21.693 -0.632 1.00 0.00 C ATOM 1039 C GLY A 276 -4.512 -20.588 -1.503 1.00 0.00 C ATOM 1040 O GLY A 276 -4.730 -20.586 -2.721 1.00 0.00 O ATOM 0 H GLY A 276 -5.542 -21.848 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 276 -4.277 -22.382 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 276 -5.809 -22.257 -1.215 1.00 0.00 H new ATOM 1044 N LEU A 277 -3.793 -19.659 -0.920 1.00 0.00 N ATOM 1045 CA LEU A 277 -3.338 -18.533 -1.690 1.00 0.00 C ATOM 1046 C LEU A 277 -1.877 -18.680 -2.108 1.00 0.00 C ATOM 1047 O LEU A 277 -1.551 -18.562 -3.300 1.00 0.00 O ATOM 1048 CB LEU A 277 -3.592 -17.254 -0.813 1.00 0.00 C ATOM 1049 CG LEU A 277 -3.013 -15.877 -1.221 1.00 0.00 C ATOM 1050 CD1 LEU A 277 -1.546 -15.735 -0.823 1.00 0.00 C ATOM 1051 CD2 LEU A 277 -3.190 -15.630 -2.702 1.00 0.00 C ATOM 0 H LEU A 277 -3.517 -19.660 0.062 1.00 0.00 H new ATOM 0 HA LEU A 277 -3.887 -18.458 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 277 -4.672 -17.134 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 277 -3.218 -17.474 0.187 1.00 0.00 H new ATOM 0 HG LEU A 277 -3.576 -15.119 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 277 -1.180 -14.755 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 277 -1.451 -15.838 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 277 -0.959 -16.511 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 277 -2.775 -14.656 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 277 -2.672 -16.407 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 277 -4.251 -15.649 -2.950 1.00 0.00 H new ATOM 1063 N GLY A 278 -1.010 -18.939 -1.182 1.00 0.00 N ATOM 1064 CA GLY A 278 0.338 -19.155 -1.559 1.00 0.00 C ATOM 1065 C GLY A 278 1.284 -18.953 -0.430 1.00 0.00 C ATOM 1066 O GLY A 278 1.309 -17.858 0.136 1.00 0.00 O ATOM 0 H GLY A 278 -1.209 -19.004 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 278 0.447 -20.169 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 278 0.598 -18.477 -2.372 1.00 0.00 H new ATOM 1070 N PRO A 279 2.092 -19.923 -0.067 1.00 0.00 N ATOM 1071 CA PRO A 279 3.115 -19.700 0.938 1.00 0.00 C ATOM 1072 C PRO A 279 4.210 -18.766 0.382 1.00 0.00 C ATOM 1073 O PRO A 279 4.762 -17.915 1.101 1.00 0.00 O ATOM 1074 CB PRO A 279 3.665 -21.102 1.211 1.00 0.00 C ATOM 1075 CG PRO A 279 3.373 -21.858 -0.043 1.00 0.00 C ATOM 1076 CD PRO A 279 2.068 -21.321 -0.543 1.00 0.00 C ATOM 0 HA PRO A 279 2.739 -19.220 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 279 4.734 -21.077 1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 279 3.181 -21.559 2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 279 4.164 -21.715 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 279 3.308 -22.929 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 279 1.995 -21.378 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 279 1.220 -21.873 -0.137 1.00 0.00 H new ATOM 1084 N GLN A 280 4.465 -18.871 -0.928 1.00 0.00 N ATOM 1085 CA GLN A 280 5.482 -18.064 -1.555 1.00 0.00 C ATOM 1086 C GLN A 280 5.034 -16.612 -1.611 1.00 0.00 C ATOM 1087 O GLN A 280 5.860 -15.704 -1.525 1.00 0.00 O ATOM 1088 CB GLN A 280 5.811 -18.545 -2.956 1.00 0.00 C ATOM 1089 CG GLN A 280 7.154 -18.029 -3.455 1.00 0.00 C ATOM 1090 CD GLN A 280 8.334 -18.598 -2.680 1.00 0.00 C ATOM 1091 OE1 GLN A 280 8.227 -19.820 -2.246 1.00 0.00 O flip ATOM 1092 NE2 GLN A 280 9.358 -17.940 -2.518 1.00 0.00 N flip ATOM 0 H GLN A 280 3.977 -19.507 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 280 6.384 -18.154 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 280 5.818 -19.635 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 280 5.026 -18.223 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 280 7.264 -18.280 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 280 7.169 -16.942 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 280 9.411 -16.984 -2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 280 10.156 -18.349 -2.031 1.00 0.00 H new ATOM 1101 N LYS A 281 3.714 -16.385 -1.721 1.00 0.00 N ATOM 1102 CA LYS A 281 3.211 -15.014 -1.737 1.00 0.00 C ATOM 1103 C LYS A 281 3.492 -14.337 -0.422 1.00 0.00 C ATOM 1104 O LYS A 281 3.841 -13.194 -0.403 1.00 0.00 O ATOM 1105 CB LYS A 281 1.719 -14.861 -2.092 1.00 0.00 C ATOM 1106 CG LYS A 281 1.334 -15.123 -3.552 1.00 0.00 C ATOM 1107 CD LYS A 281 1.080 -16.580 -3.828 1.00 0.00 C ATOM 1108 CE LYS A 281 0.683 -16.808 -5.276 1.00 0.00 C ATOM 1109 NZ LYS A 281 0.290 -18.208 -5.529 1.00 0.00 N ATOM 0 H LYS A 281 3.002 -17.111 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 281 3.754 -14.530 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 281 1.147 -15.541 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 281 1.409 -13.849 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 281 0.441 -14.549 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 281 2.131 -14.766 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 281 1.976 -17.157 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 281 0.290 -16.944 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -0.145 -16.147 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 281 1.516 -16.542 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -0.178 -18.275 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 1.136 -18.812 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -0.366 -18.524 -4.786 1.00 0.00 H new ATOM 1123 N ALA A 282 3.373 -15.082 0.667 1.00 0.00 N ATOM 1124 CA ALA A 282 3.674 -14.589 1.992 1.00 0.00 C ATOM 1125 C ALA A 282 5.126 -14.152 2.079 1.00 0.00 C ATOM 1126 O ALA A 282 5.446 -13.140 2.706 1.00 0.00 O ATOM 1127 CB ALA A 282 3.410 -15.681 2.995 1.00 0.00 C ATOM 0 H ALA A 282 3.062 -16.053 0.650 1.00 0.00 H new ATOM 0 HA ALA A 282 3.041 -13.728 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 282 3.635 -15.317 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 282 2.362 -15.977 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.042 -16.541 2.771 1.00 0.00 H new ATOM 1133 N ARG A 283 6.000 -14.920 1.436 1.00 0.00 N ATOM 1134 CA ARG A 283 7.426 -14.604 1.415 1.00 0.00 C ATOM 1135 C ARG A 283 7.638 -13.307 0.642 1.00 0.00 C ATOM 1136 O ARG A 283 8.211 -12.354 1.153 1.00 0.00 O ATOM 1137 CB ARG A 283 8.237 -15.719 0.727 1.00 0.00 C ATOM 1138 CG ARG A 283 7.868 -17.129 1.142 1.00 0.00 C ATOM 1139 CD ARG A 283 8.018 -17.369 2.636 1.00 0.00 C ATOM 1140 NE ARG A 283 7.509 -18.692 3.007 1.00 0.00 N ATOM 1141 CZ ARG A 283 7.022 -19.026 4.206 1.00 0.00 C ATOM 1142 NH1 ARG A 283 7.070 -18.166 5.215 1.00 0.00 N ATOM 1143 NH2 ARG A 283 6.525 -20.235 4.405 1.00 0.00 N ATOM 0 H ARG A 283 5.747 -15.765 0.923 1.00 0.00 H new ATOM 0 HA ARG A 283 7.767 -14.506 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 283 8.108 -15.628 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 283 9.295 -15.560 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 283 6.837 -17.330 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 283 8.496 -17.837 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 283 9.068 -17.287 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 283 7.478 -16.599 3.188 1.00 0.00 H new ATOM 0 HE ARG A 283 7.528 -19.418 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 283 7.481 -17.242 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 283 6.696 -18.428 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 283 6.513 -20.913 3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 283 6.153 -20.489 5.320 1.00 0.00 H new ATOM 1157 N ARG A 284 7.128 -13.282 -0.584 1.00 0.00 N ATOM 1158 CA ARG A 284 7.290 -12.148 -1.485 1.00 0.00 C ATOM 1159 C ARG A 284 6.659 -10.865 -0.947 1.00 0.00 C ATOM 1160 O ARG A 284 7.261 -9.797 -1.034 1.00 0.00 O ATOM 1161 CB ARG A 284 6.752 -12.488 -2.867 1.00 0.00 C ATOM 1162 CG ARG A 284 7.419 -13.699 -3.499 1.00 0.00 C ATOM 1163 CD ARG A 284 8.934 -13.553 -3.503 1.00 0.00 C ATOM 1164 NE ARG A 284 9.383 -12.312 -4.155 1.00 0.00 N ATOM 1165 CZ ARG A 284 10.585 -11.731 -3.981 1.00 0.00 C ATOM 1166 NH1 ARG A 284 11.487 -12.298 -3.196 1.00 0.00 N ATOM 1167 NH2 ARG A 284 10.875 -10.583 -4.605 1.00 0.00 N ATOM 0 H ARG A 284 6.589 -14.051 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 284 8.359 -11.951 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 284 5.680 -12.670 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 284 6.886 -11.627 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 284 7.139 -14.599 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 284 7.060 -13.823 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 284 9.300 -13.572 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 284 9.376 -14.408 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 284 8.730 -11.855 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 284 11.272 -13.175 -2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 284 12.398 -11.858 -3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 284 10.184 -10.145 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 284 11.787 -10.146 -4.471 1.00 0.00 H new ATOM 1181 N LEU A 285 5.457 -10.977 -0.410 1.00 0.00 N ATOM 1182 CA LEU A 285 4.781 -9.862 0.230 1.00 0.00 C ATOM 1183 C LEU A 285 5.632 -9.290 1.344 1.00 0.00 C ATOM 1184 O LEU A 285 5.907 -8.109 1.354 1.00 0.00 O ATOM 1185 CB LEU A 285 3.403 -10.280 0.777 1.00 0.00 C ATOM 1186 CG LEU A 285 2.286 -10.505 -0.254 1.00 0.00 C ATOM 1187 CD1 LEU A 285 1.054 -11.074 0.430 1.00 0.00 C ATOM 1188 CD2 LEU A 285 1.929 -9.199 -0.951 1.00 0.00 C ATOM 0 H LEU A 285 4.921 -11.845 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 285 4.626 -9.093 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 285 3.529 -11.200 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 285 3.069 -9.514 1.477 1.00 0.00 H new ATOM 0 HG LEU A 285 2.644 -11.214 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 285 0.267 -11.230 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 285 1.305 -12.025 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 285 0.705 -10.375 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 285 1.136 -9.379 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 285 1.587 -8.474 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 285 2.808 -8.808 -1.463 1.00 0.00 H new ATOM 1200 N PHE A 286 6.108 -10.148 2.235 1.00 0.00 N ATOM 1201 CA PHE A 286 6.911 -9.699 3.366 1.00 0.00 C ATOM 1202 C PHE A 286 8.215 -9.056 2.868 1.00 0.00 C ATOM 1203 O PHE A 286 8.697 -8.059 3.441 1.00 0.00 O ATOM 1204 CB PHE A 286 7.229 -10.878 4.290 1.00 0.00 C ATOM 1205 CG PHE A 286 7.726 -10.460 5.637 1.00 0.00 C ATOM 1206 CD1 PHE A 286 6.827 -10.223 6.656 1.00 0.00 C ATOM 1207 CD2 PHE A 286 9.076 -10.296 5.885 1.00 0.00 C ATOM 1208 CE1 PHE A 286 7.260 -9.832 7.893 1.00 0.00 C ATOM 1209 CE2 PHE A 286 9.516 -9.900 7.126 1.00 0.00 C ATOM 1210 CZ PHE A 286 8.608 -9.667 8.134 1.00 0.00 C ATOM 0 H PHE A 286 5.954 -11.156 2.198 1.00 0.00 H new ATOM 0 HA PHE A 286 6.342 -8.956 3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 286 6.332 -11.485 4.414 1.00 0.00 H new ATOM 0 HB3 PHE A 286 7.979 -11.511 3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 286 5.770 -10.348 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 286 9.791 -10.481 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 286 6.545 -9.652 8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 286 10.573 -9.772 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 286 8.950 -9.356 9.110 1.00 0.00 H new ATOM 1220 N ASP A 287 8.758 -9.619 1.792 1.00 0.00 N ATOM 1221 CA ASP A 287 9.994 -9.126 1.193 1.00 0.00 C ATOM 1222 C ASP A 287 9.800 -7.707 0.732 1.00 0.00 C ATOM 1223 O ASP A 287 10.474 -6.817 1.210 1.00 0.00 O ATOM 1224 CB ASP A 287 10.372 -9.980 -0.016 1.00 0.00 C ATOM 1225 CG ASP A 287 11.730 -9.642 -0.616 1.00 0.00 C ATOM 1226 OD1 ASP A 287 12.764 -10.163 -0.115 1.00 0.00 O ATOM 1227 OD2 ASP A 287 11.790 -8.897 -1.619 1.00 0.00 O ATOM 0 H ASP A 287 8.356 -10.425 1.313 1.00 0.00 H new ATOM 0 HA ASP A 287 10.786 -9.176 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 287 10.368 -11.029 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 287 9.608 -9.862 -0.784 1.00 0.00 H new ATOM 1232 N VAL A 288 8.778 -7.483 -0.092 1.00 0.00 N ATOM 1233 CA VAL A 288 8.532 -6.159 -0.654 1.00 0.00 C ATOM 1234 C VAL A 288 8.092 -5.168 0.408 1.00 0.00 C ATOM 1235 O VAL A 288 8.399 -4.000 0.324 1.00 0.00 O ATOM 1236 CB VAL A 288 7.519 -6.162 -1.839 1.00 0.00 C ATOM 1237 CG1 VAL A 288 7.998 -7.074 -2.960 1.00 0.00 C ATOM 1238 CG2 VAL A 288 6.123 -6.546 -1.387 1.00 0.00 C ATOM 0 H VAL A 288 8.111 -8.198 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 288 9.492 -5.840 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 288 7.466 -5.144 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 288 7.275 -7.059 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 288 8.964 -6.725 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 288 8.099 -8.092 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 288 5.448 -6.536 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 288 6.143 -7.545 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 288 5.773 -5.833 -0.641 1.00 0.00 H new ATOM 1248 N LEU A 289 7.418 -5.651 1.433 1.00 0.00 N ATOM 1249 CA LEU A 289 6.949 -4.788 2.500 1.00 0.00 C ATOM 1250 C LEU A 289 8.107 -4.245 3.326 1.00 0.00 C ATOM 1251 O LEU A 289 8.039 -3.125 3.830 1.00 0.00 O ATOM 1252 CB LEU A 289 5.924 -5.507 3.399 1.00 0.00 C ATOM 1253 CG LEU A 289 4.591 -5.895 2.739 1.00 0.00 C ATOM 1254 CD1 LEU A 289 3.729 -6.682 3.697 1.00 0.00 C ATOM 1255 CD2 LEU A 289 3.842 -4.669 2.246 1.00 0.00 C ATOM 0 H LEU A 289 7.183 -6.637 1.550 1.00 0.00 H new ATOM 0 HA LEU A 289 6.446 -3.942 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 289 6.388 -6.412 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 289 5.708 -4.865 4.253 1.00 0.00 H new ATOM 0 HG LEU A 289 4.820 -6.522 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 289 2.791 -6.946 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 289 4.252 -7.591 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 289 3.521 -6.078 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 289 2.904 -4.977 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 289 3.633 -4.008 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 289 4.451 -4.141 1.512 1.00 0.00 H new ATOM 1267 N HIS A 290 9.188 -5.012 3.421 1.00 0.00 N ATOM 1268 CA HIS A 290 10.308 -4.607 4.260 1.00 0.00 C ATOM 1269 C HIS A 290 11.524 -4.191 3.452 1.00 0.00 C ATOM 1270 O HIS A 290 12.492 -3.645 4.002 1.00 0.00 O ATOM 1271 CB HIS A 290 10.653 -5.669 5.316 1.00 0.00 C ATOM 1272 CG HIS A 290 9.654 -5.753 6.441 1.00 0.00 C ATOM 1273 ND1 HIS A 290 9.933 -5.392 7.740 1.00 0.00 N ATOM 1274 CD2 HIS A 290 8.356 -6.157 6.442 1.00 0.00 C ATOM 1275 CE1 HIS A 290 8.838 -5.577 8.471 1.00 0.00 C ATOM 1276 NE2 HIS A 290 7.844 -6.040 7.735 1.00 0.00 N ATOM 0 H HIS A 290 9.311 -5.901 2.937 1.00 0.00 H new ATOM 0 HA HIS A 290 9.980 -3.718 4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 290 10.722 -6.642 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 290 11.637 -5.449 5.731 1.00 0.00 H new ATOM 0 HD2 HIS A 290 7.809 -6.511 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 290 8.770 -5.375 9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 290 6.899 -6.265 8.047 1.00 0.00 H new ATOM 1284 N GLU A 291 11.476 -4.424 2.170 1.00 0.00 N ATOM 1285 CA GLU A 291 12.522 -4.009 1.292 1.00 0.00 C ATOM 1286 C GLU A 291 12.415 -2.538 1.025 1.00 0.00 C ATOM 1287 O GLU A 291 11.330 -2.026 0.761 1.00 0.00 O ATOM 1288 CB GLU A 291 12.507 -4.785 -0.023 1.00 0.00 C ATOM 1289 CG GLU A 291 13.190 -6.127 0.030 1.00 0.00 C ATOM 1290 CD GLU A 291 14.600 -6.063 0.533 1.00 0.00 C ATOM 1291 OE1 GLU A 291 15.520 -5.733 -0.248 1.00 0.00 O ATOM 1292 OE2 GLU A 291 14.820 -6.366 1.721 1.00 0.00 O ATOM 0 H GLU A 291 10.706 -4.909 1.708 1.00 0.00 H new ATOM 0 HA GLU A 291 13.470 -4.222 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 291 11.472 -4.931 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 291 12.986 -4.179 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 291 12.614 -6.793 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 291 13.189 -6.566 -0.968 1.00 0.00 H new ATOM 1299 N PRO A 292 13.526 -1.832 1.126 1.00 0.00 N ATOM 1300 CA PRO A 292 13.552 -0.421 0.854 1.00 0.00 C ATOM 1301 C PRO A 292 13.287 -0.156 -0.616 1.00 0.00 C ATOM 1302 O PRO A 292 13.630 -0.992 -1.474 1.00 0.00 O ATOM 1303 CB PRO A 292 14.963 0.035 1.209 1.00 0.00 C ATOM 1304 CG PRO A 292 15.728 -1.177 1.638 1.00 0.00 C ATOM 1305 CD PRO A 292 14.835 -2.376 1.503 1.00 0.00 C ATOM 0 HA PRO A 292 12.789 0.108 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 292 15.441 0.507 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 292 14.938 0.776 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 292 16.621 -1.298 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 292 16.063 -1.068 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 292 15.210 -3.064 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 292 14.777 -2.933 2.438 1.00 0.00 H new ATOM 1313 N PHE A 293 12.693 0.989 -0.918 1.00 0.00 N ATOM 1314 CA PHE A 293 12.404 1.333 -2.308 1.00 0.00 C ATOM 1315 C PHE A 293 13.716 1.490 -3.066 1.00 0.00 C ATOM 1316 O PHE A 293 13.827 1.109 -4.210 1.00 0.00 O ATOM 1317 CB PHE A 293 11.572 2.630 -2.434 1.00 0.00 C ATOM 1318 CG PHE A 293 10.391 2.720 -1.508 1.00 0.00 C ATOM 1319 CD1 PHE A 293 9.350 1.826 -1.596 1.00 0.00 C ATOM 1320 CD2 PHE A 293 10.326 3.722 -0.562 1.00 0.00 C ATOM 1321 CE1 PHE A 293 8.262 1.926 -0.756 1.00 0.00 C ATOM 1322 CE2 PHE A 293 9.244 3.829 0.284 1.00 0.00 C ATOM 1323 CZ PHE A 293 8.209 2.929 0.185 1.00 0.00 C ATOM 0 H PHE A 293 12.404 1.688 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 293 11.808 0.525 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 293 12.226 3.482 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 293 11.217 2.718 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 293 9.385 1.036 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 293 11.135 4.433 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 293 7.451 1.217 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 293 9.209 4.617 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 293 7.357 3.009 0.844 1.00 0.00 H new ATOM 1333 N LEU A 294 14.729 1.989 -2.367 1.00 0.00 N ATOM 1334 CA LEU A 294 16.057 2.218 -2.940 1.00 0.00 C ATOM 1335 C LEU A 294 16.884 0.951 -2.910 1.00 0.00 C ATOM 1336 O LEU A 294 18.045 0.970 -3.301 1.00 0.00 O ATOM 1337 CB LEU A 294 16.842 3.320 -2.172 1.00 0.00 C ATOM 1338 CG LEU A 294 16.320 4.786 -2.248 1.00 0.00 C ATOM 1339 CD1 LEU A 294 14.935 4.952 -1.646 1.00 0.00 C ATOM 1340 CD2 LEU A 294 17.296 5.730 -1.572 1.00 0.00 C ATOM 0 H LEU A 294 14.656 2.248 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 294 15.893 2.542 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 294 16.876 3.033 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 294 17.869 3.313 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 294 16.241 5.035 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 294 14.625 5.994 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 294 14.227 4.320 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 294 14.958 4.662 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 294 16.917 6.750 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 294 17.410 5.448 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 294 18.263 5.672 -2.071 1.00 0.00 H new ATOM 1352 N LYS A 295 16.303 -0.142 -2.386 1.00 0.00 N ATOM 1353 CA LYS A 295 16.980 -1.449 -2.211 1.00 0.00 C ATOM 1354 C LYS A 295 18.008 -1.385 -1.074 1.00 0.00 C ATOM 1355 O LYS A 295 18.089 -2.269 -0.221 1.00 0.00 O ATOM 1356 CB LYS A 295 17.660 -1.926 -3.504 1.00 0.00 C ATOM 1357 CG LYS A 295 18.300 -3.286 -3.368 1.00 0.00 C ATOM 1358 CD LYS A 295 19.153 -3.651 -4.564 1.00 0.00 C ATOM 1359 CE LYS A 295 20.362 -2.736 -4.681 1.00 0.00 C ATOM 1360 NZ LYS A 295 21.254 -3.131 -5.790 1.00 0.00 N ATOM 0 H LYS A 295 15.335 -0.147 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 295 16.206 -2.172 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 295 16.922 -1.957 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 295 18.419 -1.201 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 295 18.915 -3.305 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 295 17.522 -4.038 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 295 19.485 -4.685 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 295 18.555 -3.585 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 295 20.026 -1.710 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 295 20.920 -2.752 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 22.064 -2.480 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 21.596 -4.100 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 20.730 -3.091 -6.688 1.00 0.00 H new ATOM 1720 N TYR B 833 17.095 0.488 -7.239 1.00 0.00 N ATOM 1721 CA TYR B 833 15.750 0.614 -6.732 1.00 0.00 C ATOM 1722 C TYR B 833 15.035 -0.723 -6.849 1.00 0.00 C ATOM 1723 O TYR B 833 15.194 -1.434 -7.859 1.00 0.00 O ATOM 1724 CB TYR B 833 14.955 1.743 -7.453 1.00 0.00 C ATOM 1725 CG TYR B 833 15.204 3.150 -6.946 1.00 0.00 C ATOM 1726 CD1 TYR B 833 16.201 3.941 -7.484 1.00 0.00 C ATOM 1727 CD2 TYR B 833 14.428 3.687 -5.928 1.00 0.00 C ATOM 1728 CE1 TYR B 833 16.420 5.222 -7.020 1.00 0.00 C ATOM 1729 CE2 TYR B 833 14.645 4.967 -5.463 1.00 0.00 C ATOM 1730 CZ TYR B 833 15.647 5.727 -6.016 1.00 0.00 C ATOM 1731 OH TYR B 833 15.885 7.011 -5.552 1.00 0.00 O ATOM 0 HA TYR B 833 15.807 0.899 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR B 833 15.197 1.711 -8.515 1.00 0.00 H new ATOM 0 HB3 TYR B 833 13.890 1.527 -7.362 1.00 0.00 H new ATOM 0 HD1 TYR B 833 16.818 3.551 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR B 833 13.640 3.091 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR B 833 17.204 5.825 -7.452 1.00 0.00 H new ATOM 0 HE2 TYR B 833 14.032 5.369 -4.670 1.00 0.00 H new ATOM 0 HH TYR B 833 15.249 7.223 -4.837 1.00 0.00 H new ATOM 1741 N ASN B 834 14.275 -1.072 -5.835 1.00 0.00 N ATOM 1742 CA ASN B 834 13.513 -2.316 -5.821 1.00 0.00 C ATOM 1743 C ASN B 834 12.123 -2.062 -6.373 1.00 0.00 C ATOM 1744 O ASN B 834 11.342 -1.325 -5.755 1.00 0.00 O ATOM 1745 CB ASN B 834 13.372 -2.911 -4.403 1.00 0.00 C ATOM 1746 CG ASN B 834 14.573 -3.670 -3.872 1.00 0.00 C ATOM 1747 OD1 ASN B 834 15.358 -4.255 -4.623 1.00 0.00 O ATOM 1748 ND2 ASN B 834 14.709 -3.688 -2.564 1.00 0.00 N ATOM 0 H ASN B 834 14.163 -0.506 -4.994 1.00 0.00 H new ATOM 0 HA ASN B 834 14.060 -3.031 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN B 834 13.147 -2.099 -3.712 1.00 0.00 H new ATOM 0 HB3 ASN B 834 12.513 -3.582 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN B 834 15.484 -4.198 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN B 834 14.040 -3.192 -1.975 1.00 0.00 H new ATOM 1755 N PRO B 835 11.784 -2.675 -7.525 1.00 0.00 N ATOM 1756 CA PRO B 835 10.488 -2.481 -8.186 1.00 0.00 C ATOM 1757 C PRO B 835 9.306 -2.830 -7.299 1.00 0.00 C ATOM 1758 O PRO B 835 8.407 -2.031 -7.153 1.00 0.00 O ATOM 1759 CB PRO B 835 10.530 -3.423 -9.393 1.00 0.00 C ATOM 1760 CG PRO B 835 11.672 -4.341 -9.141 1.00 0.00 C ATOM 1761 CD PRO B 835 12.641 -3.590 -8.291 1.00 0.00 C ATOM 0 HA PRO B 835 10.346 -1.433 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO B 835 9.596 -3.976 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO B 835 10.671 -2.867 -10.320 1.00 0.00 H new ATOM 0 HG2 PRO B 835 11.337 -5.248 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO B 835 12.136 -4.649 -10.078 1.00 0.00 H new ATOM 0 HD2 PRO B 835 13.203 -4.257 -7.637 1.00 0.00 H new ATOM 0 HD3 PRO B 835 13.369 -3.048 -8.895 1.00 0.00 H new ATOM 1769 N GLY B 836 9.362 -4.005 -6.669 1.00 0.00 N ATOM 1770 CA GLY B 836 8.266 -4.507 -5.845 1.00 0.00 C ATOM 1771 C GLY B 836 7.749 -3.495 -4.835 1.00 0.00 C ATOM 1772 O GLY B 836 6.610 -3.038 -4.943 1.00 0.00 O ATOM 0 H GLY B 836 10.166 -4.631 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY B 836 7.445 -4.812 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY B 836 8.601 -5.398 -5.314 1.00 0.00 H new ATOM 1776 N PRO B 837 8.561 -3.102 -3.849 1.00 0.00 N ATOM 1777 CA PRO B 837 8.139 -2.145 -2.844 1.00 0.00 C ATOM 1778 C PRO B 837 7.847 -0.753 -3.393 1.00 0.00 C ATOM 1779 O PRO B 837 6.931 -0.078 -2.900 1.00 0.00 O ATOM 1780 CB PRO B 837 9.294 -2.099 -1.855 1.00 0.00 C ATOM 1781 CG PRO B 837 10.463 -2.597 -2.611 1.00 0.00 C ATOM 1782 CD PRO B 837 9.921 -3.592 -3.591 1.00 0.00 C ATOM 0 HA PRO B 837 7.194 -2.457 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO B 837 9.462 -1.086 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO B 837 9.093 -2.722 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO B 837 10.974 -1.782 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO B 837 11.191 -3.061 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO B 837 10.517 -3.625 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO B 837 9.914 -4.601 -3.178 1.00 0.00 H new ATOM 1790 N GLN B 838 8.599 -0.316 -4.411 1.00 0.00 N ATOM 1791 CA GLN B 838 8.387 1.019 -4.941 1.00 0.00 C ATOM 1792 C GLN B 838 7.022 1.059 -5.597 1.00 0.00 C ATOM 1793 O GLN B 838 6.254 1.975 -5.380 1.00 0.00 O ATOM 1794 CB GLN B 838 9.512 1.459 -5.925 1.00 0.00 C ATOM 1795 CG GLN B 838 9.308 1.066 -7.390 1.00 0.00 C ATOM 1796 CD GLN B 838 10.537 1.282 -8.249 1.00 0.00 C ATOM 1797 OE1 GLN B 838 11.669 1.182 -7.789 1.00 0.00 O ATOM 1798 NE2 GLN B 838 10.327 1.579 -9.498 1.00 0.00 N ATOM 0 H GLN B 838 9.336 -0.855 -4.867 1.00 0.00 H new ATOM 0 HA GLN B 838 8.426 1.735 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN B 838 9.613 2.543 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN B 838 10.455 1.033 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN B 838 9.019 0.016 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN B 838 8.480 1.644 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN B 838 9.373 1.655 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN B 838 11.116 1.736 -10.125 1.00 0.00 H new ATOM 1807 N ASP B 839 6.698 0.000 -6.314 1.00 0.00 N ATOM 1808 CA ASP B 839 5.450 -0.107 -7.006 1.00 0.00 C ATOM 1809 C ASP B 839 4.308 -0.180 -6.053 1.00 0.00 C ATOM 1810 O ASP B 839 3.270 0.425 -6.294 1.00 0.00 O ATOM 1811 CB ASP B 839 5.413 -1.299 -7.953 1.00 0.00 C ATOM 1812 CG ASP B 839 6.077 -1.029 -9.282 1.00 0.00 C ATOM 1813 OD1 ASP B 839 5.684 -0.051 -9.964 1.00 0.00 O ATOM 1814 OD2 ASP B 839 6.955 -1.813 -9.719 1.00 0.00 O ATOM 0 H ASP B 839 7.306 -0.811 -6.427 1.00 0.00 H new ATOM 0 HA ASP B 839 5.353 0.798 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP B 839 5.903 -2.148 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP B 839 4.375 -1.585 -8.125 1.00 0.00 H new ATOM 1819 N PHE B 840 4.512 -0.909 -4.956 1.00 0.00 N ATOM 1820 CA PHE B 840 3.510 -1.076 -3.912 1.00 0.00 C ATOM 1821 C PHE B 840 3.029 0.307 -3.456 1.00 0.00 C ATOM 1822 O PHE B 840 1.841 0.569 -3.401 1.00 0.00 O ATOM 1823 CB PHE B 840 4.130 -1.835 -2.723 1.00 0.00 C ATOM 1824 CG PHE B 840 3.183 -2.756 -1.998 1.00 0.00 C ATOM 1825 CD1 PHE B 840 2.092 -2.270 -1.291 1.00 0.00 C ATOM 1826 CD2 PHE B 840 3.387 -4.127 -2.040 1.00 0.00 C ATOM 1827 CE1 PHE B 840 1.224 -3.138 -0.645 1.00 0.00 C ATOM 1828 CE2 PHE B 840 2.523 -4.993 -1.393 1.00 0.00 C ATOM 1829 CZ PHE B 840 1.443 -4.495 -0.702 1.00 0.00 C ATOM 0 H PHE B 840 5.385 -1.403 -4.769 1.00 0.00 H new ATOM 0 HA PHE B 840 2.664 -1.647 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE B 840 4.977 -2.419 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE B 840 4.524 -1.109 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE B 840 1.917 -1.205 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE B 840 4.231 -4.524 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE B 840 0.378 -2.749 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE B 840 2.696 -6.058 -1.431 1.00 0.00 H new ATOM 0 HZ PHE B 840 0.765 -5.171 -0.203 1.00 0.00 H new ATOM 1839 N LEU B 841 3.989 1.193 -3.218 1.00 0.00 N ATOM 1840 CA LEU B 841 3.731 2.571 -2.795 1.00 0.00 C ATOM 1841 C LEU B 841 3.192 3.427 -3.942 1.00 0.00 C ATOM 1842 O LEU B 841 2.281 4.227 -3.761 1.00 0.00 O ATOM 1843 CB LEU B 841 5.020 3.186 -2.248 1.00 0.00 C ATOM 1844 CG LEU B 841 5.071 4.720 -2.170 1.00 0.00 C ATOM 1845 CD1 LEU B 841 4.167 5.261 -1.075 1.00 0.00 C ATOM 1846 CD2 LEU B 841 6.500 5.206 -2.013 1.00 0.00 C ATOM 0 H LEU B 841 4.981 0.976 -3.313 1.00 0.00 H new ATOM 0 HA LEU B 841 2.969 2.547 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU B 841 5.190 2.788 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU B 841 5.849 2.849 -2.870 1.00 0.00 H new ATOM 0 HG LEU B 841 4.689 5.112 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU B 841 4.232 6.349 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU B 841 3.137 4.963 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU B 841 4.482 4.860 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU B 841 6.510 6.295 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU B 841 6.926 4.794 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU B 841 7.092 4.879 -2.868 1.00 0.00 H new ATOM 1858 N LEU B 842 3.738 3.243 -5.111 1.00 0.00 N ATOM 1859 CA LEU B 842 3.348 4.023 -6.269 1.00 0.00 C ATOM 1860 C LEU B 842 1.907 3.803 -6.717 1.00 0.00 C ATOM 1861 O LEU B 842 1.356 4.607 -7.472 1.00 0.00 O ATOM 1862 CB LEU B 842 4.314 3.818 -7.408 1.00 0.00 C ATOM 1863 CG LEU B 842 5.437 4.874 -7.496 1.00 0.00 C ATOM 1864 CD1 LEU B 842 6.436 4.805 -6.336 1.00 0.00 C ATOM 1865 CD2 LEU B 842 6.124 4.805 -8.820 1.00 0.00 C ATOM 0 H LEU B 842 4.465 2.552 -5.296 1.00 0.00 H new ATOM 0 HA LEU B 842 3.393 5.064 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU B 842 4.768 2.832 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU B 842 3.757 3.820 -8.345 1.00 0.00 H new ATOM 0 HG LEU B 842 4.954 5.847 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU B 842 7.196 5.576 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU B 842 5.912 4.966 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU B 842 6.912 3.824 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU B 842 6.912 5.557 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU B 842 6.561 3.815 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU B 842 5.402 4.992 -9.615 1.00 0.00 H new ATOM 1877 N LYS B 843 1.311 2.738 -6.260 1.00 0.00 N ATOM 1878 CA LYS B 843 -0.070 2.425 -6.576 1.00 0.00 C ATOM 1879 C LYS B 843 -1.020 2.956 -5.486 1.00 0.00 C ATOM 1880 O LYS B 843 -2.251 2.968 -5.665 1.00 0.00 O ATOM 1881 CB LYS B 843 -0.212 0.916 -6.688 1.00 0.00 C ATOM 1882 CG LYS B 843 0.597 0.284 -7.818 1.00 0.00 C ATOM 1883 CD LYS B 843 -0.061 0.450 -9.172 1.00 0.00 C ATOM 1884 CE LYS B 843 0.628 -0.419 -10.217 1.00 0.00 C ATOM 1885 NZ LYS B 843 -0.096 -0.403 -11.503 1.00 0.00 N ATOM 0 H LYS B 843 1.764 2.054 -5.654 1.00 0.00 H new ATOM 0 HA LYS B 843 -0.337 2.903 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS B 843 0.093 0.464 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS B 843 -1.265 0.673 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS B 843 1.590 0.733 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS B 843 0.733 -0.778 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS B 843 -1.115 0.180 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS B 843 -0.019 1.496 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS B 843 1.648 -0.066 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS B 843 0.697 -1.443 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 843 0.265 -1.163 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 843 -1.111 -0.549 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 843 0.047 0.515 -11.971 1.00 0.00 H new ATOM 1899 N MET B 844 -0.451 3.429 -4.387 1.00 0.00 N ATOM 1900 CA MET B 844 -1.232 3.863 -3.233 1.00 0.00 C ATOM 1901 C MET B 844 -1.902 5.230 -3.517 1.00 0.00 C ATOM 1902 O MET B 844 -1.360 6.045 -4.276 1.00 0.00 O ATOM 1903 CB MET B 844 -0.339 3.934 -1.971 1.00 0.00 C ATOM 1904 CG MET B 844 0.437 2.646 -1.697 1.00 0.00 C ATOM 1905 SD MET B 844 1.472 2.694 -0.218 1.00 0.00 S ATOM 1906 CE MET B 844 0.246 2.623 1.052 1.00 0.00 C ATOM 0 H MET B 844 0.558 3.523 -4.268 1.00 0.00 H new ATOM 0 HA MET B 844 -2.019 3.132 -3.049 1.00 0.00 H new ATOM 0 HB2 MET B 844 0.367 4.757 -2.082 1.00 0.00 H new ATOM 0 HB3 MET B 844 -0.963 4.163 -1.107 1.00 0.00 H new ATOM 0 HG2 MET B 844 -0.272 1.823 -1.602 1.00 0.00 H new ATOM 0 HG3 MET B 844 1.067 2.426 -2.559 1.00 0.00 H new ATOM 0 HE1 MET B 844 0.383 3.460 1.737 1.00 0.00 H new ATOM 0 HE2 MET B 844 -0.746 2.680 0.604 1.00 0.00 H new ATOM 0 HE3 MET B 844 0.343 1.686 1.600 1.00 0.00 H new ATOM 1916 N PRO B 845 -3.104 5.488 -2.952 1.00 0.00 N ATOM 1917 CA PRO B 845 -3.826 6.754 -3.162 1.00 0.00 C ATOM 1918 C PRO B 845 -3.142 7.924 -2.457 1.00 0.00 C ATOM 1919 O PRO B 845 -2.479 7.744 -1.436 1.00 0.00 O ATOM 1920 CB PRO B 845 -5.200 6.493 -2.555 1.00 0.00 C ATOM 1921 CG PRO B 845 -4.961 5.449 -1.535 1.00 0.00 C ATOM 1922 CD PRO B 845 -3.844 4.586 -2.062 1.00 0.00 C ATOM 0 HA PRO B 845 -3.865 7.033 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO B 845 -5.615 7.397 -2.109 1.00 0.00 H new ATOM 0 HB3 PRO B 845 -5.910 6.155 -3.310 1.00 0.00 H new ATOM 0 HG2 PRO B 845 -4.688 5.896 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO B 845 -5.861 4.858 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO B 845 -3.213 4.210 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO B 845 -4.227 3.718 -2.599 1.00 0.00 H new ATOM 1930 N GLY B 846 -3.292 9.111 -3.017 1.00 0.00 N ATOM 1931 CA GLY B 846 -2.617 10.284 -2.499 1.00 0.00 C ATOM 1932 C GLY B 846 -1.175 10.356 -2.966 1.00 0.00 C ATOM 1933 O GLY B 846 -0.525 11.404 -2.883 1.00 0.00 O ATOM 0 H GLY B 846 -3.878 9.287 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY B 846 -3.148 11.180 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY B 846 -2.646 10.269 -1.409 1.00 0.00 H new ATOM 1937 N VAL B 847 -0.682 9.254 -3.487 1.00 0.00 N ATOM 1938 CA VAL B 847 0.675 9.166 -3.886 1.00 0.00 C ATOM 1939 C VAL B 847 0.879 9.608 -5.320 1.00 0.00 C ATOM 1940 O VAL B 847 0.750 8.839 -6.286 1.00 0.00 O ATOM 1941 CB VAL B 847 1.293 7.776 -3.639 1.00 0.00 C ATOM 1942 CG1 VAL B 847 2.765 7.795 -3.956 1.00 0.00 C ATOM 1943 CG2 VAL B 847 1.089 7.368 -2.208 1.00 0.00 C ATOM 0 H VAL B 847 -1.223 8.403 -3.639 1.00 0.00 H new ATOM 0 HA VAL B 847 1.212 9.863 -3.243 1.00 0.00 H new ATOM 0 HB VAL B 847 0.799 7.056 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL B 847 3.189 6.807 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL B 847 2.909 8.067 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL B 847 3.265 8.525 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL B 847 1.529 6.384 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 847 1.568 8.094 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL B 847 0.022 7.329 -1.989 1.00 0.00 H new ATOM 1953 N ASN B 848 1.082 10.864 -5.425 1.00 0.00 N ATOM 1954 CA ASN B 848 1.504 11.525 -6.643 1.00 0.00 C ATOM 1955 C ASN B 848 3.029 11.544 -6.639 1.00 0.00 C ATOM 1956 O ASN B 848 3.618 11.387 -5.563 1.00 0.00 O ATOM 1957 CB ASN B 848 0.885 12.954 -6.768 1.00 0.00 C ATOM 1958 CG ASN B 848 0.825 13.746 -5.462 1.00 0.00 C ATOM 1959 OD1 ASN B 848 1.737 13.501 -4.568 1.00 0.00 O flip ATOM 1960 ND2 ASN B 848 -0.057 14.571 -5.261 1.00 0.00 N flip ATOM 0 H ASN B 848 0.959 11.507 -4.643 1.00 0.00 H new ATOM 0 HA ASN B 848 1.145 10.985 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN B 848 1.465 13.523 -7.495 1.00 0.00 H new ATOM 0 HB3 ASN B 848 -0.125 12.863 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN B 848 -0.763 14.748 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN B 848 -0.086 15.082 -4.379 1.00 0.00 H new ATOM 1967 N ALA B 849 3.654 11.840 -7.768 1.00 0.00 N ATOM 1968 CA ALA B 849 5.123 11.638 -7.959 1.00 0.00 C ATOM 1969 C ALA B 849 5.954 12.393 -6.934 1.00 0.00 C ATOM 1970 O ALA B 849 6.924 11.861 -6.379 1.00 0.00 O ATOM 1971 CB ALA B 849 5.555 11.998 -9.377 1.00 0.00 C ATOM 0 H ALA B 849 3.181 12.225 -8.586 1.00 0.00 H new ATOM 0 HA ALA B 849 5.310 10.576 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA B 849 6.628 11.840 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA B 849 5.024 11.368 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA B 849 5.322 13.044 -9.574 1.00 0.00 H new ATOM 1977 N LYS B 850 5.536 13.611 -6.671 1.00 0.00 N ATOM 1978 CA LYS B 850 6.132 14.476 -5.647 1.00 0.00 C ATOM 1979 C LYS B 850 6.227 13.767 -4.279 1.00 0.00 C ATOM 1980 O LYS B 850 7.255 13.813 -3.605 1.00 0.00 O ATOM 1981 CB LYS B 850 5.289 15.750 -5.563 1.00 0.00 C ATOM 1982 CG LYS B 850 3.827 15.460 -5.610 1.00 0.00 C ATOM 1983 CD LYS B 850 2.969 16.654 -5.925 1.00 0.00 C ATOM 1984 CE LYS B 850 3.193 17.184 -7.329 1.00 0.00 C ATOM 1985 NZ LYS B 850 2.511 18.472 -7.564 1.00 0.00 N ATOM 0 H LYS B 850 4.758 14.047 -7.166 1.00 0.00 H new ATOM 0 HA LYS B 850 7.157 14.723 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS B 850 5.524 16.279 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS B 850 5.553 16.414 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS B 850 3.645 14.689 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS B 850 3.519 15.049 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS B 850 1.920 16.383 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS B 850 3.177 17.446 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS B 850 4.262 17.306 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS B 850 2.836 16.450 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 850 2.696 18.790 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 850 1.487 18.353 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 850 2.869 19.182 -6.894 1.00 0.00 H new ATOM 1999 N ASN B 851 5.182 13.041 -3.942 1.00 0.00 N ATOM 2000 CA ASN B 851 5.082 12.333 -2.669 1.00 0.00 C ATOM 2001 C ASN B 851 5.871 11.076 -2.699 1.00 0.00 C ATOM 2002 O ASN B 851 6.495 10.744 -1.719 1.00 0.00 O ATOM 2003 CB ASN B 851 3.630 12.035 -2.311 1.00 0.00 C ATOM 2004 CG ASN B 851 2.897 13.234 -1.729 1.00 0.00 C ATOM 2005 OD1 ASN B 851 1.947 13.087 -1.001 1.00 0.00 O ATOM 2006 ND2 ASN B 851 3.350 14.418 -2.025 1.00 0.00 N ATOM 0 H ASN B 851 4.368 12.920 -4.544 1.00 0.00 H new ATOM 0 HA ASN B 851 5.494 12.986 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN B 851 3.105 11.695 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN B 851 3.601 11.216 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN B 851 2.900 15.248 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN B 851 4.155 14.516 -2.643 1.00 0.00 H new ATOM 2013 N CYS B 852 5.873 10.390 -3.851 1.00 0.00 N ATOM 2014 CA CYS B 852 6.647 9.151 -4.017 1.00 0.00 C ATOM 2015 C CYS B 852 8.103 9.417 -3.662 1.00 0.00 C ATOM 2016 O CYS B 852 8.732 8.660 -2.925 1.00 0.00 O ATOM 2017 CB CYS B 852 6.612 8.680 -5.482 1.00 0.00 C ATOM 2018 SG CYS B 852 4.979 8.577 -6.233 1.00 0.00 S ATOM 0 H CYS B 852 5.349 10.671 -4.680 1.00 0.00 H new ATOM 0 HA CYS B 852 6.211 8.390 -3.369 1.00 0.00 H new ATOM 0 HB2 CYS B 852 7.223 9.359 -6.077 1.00 0.00 H new ATOM 0 HB3 CYS B 852 7.080 7.697 -5.539 1.00 0.00 H new ATOM 0 HG CYS B 852 4.264 9.596 -5.858 1.00 0.00 H new ATOM 2024 N ARG B 853 8.604 10.528 -4.163 1.00 0.00 N ATOM 2025 CA ARG B 853 9.981 10.899 -3.996 1.00 0.00 C ATOM 2026 C ARG B 853 10.268 11.247 -2.524 1.00 0.00 C ATOM 2027 O ARG B 853 11.217 10.750 -1.952 1.00 0.00 O ATOM 2028 CB ARG B 853 10.299 12.075 -4.897 1.00 0.00 C ATOM 2029 CG ARG B 853 11.741 12.155 -5.353 1.00 0.00 C ATOM 2030 CD ARG B 853 12.102 10.974 -6.241 1.00 0.00 C ATOM 2031 NE ARG B 853 13.422 11.128 -6.854 1.00 0.00 N ATOM 2032 CZ ARG B 853 14.329 10.151 -6.999 1.00 0.00 C ATOM 2033 NH1 ARG B 853 14.104 8.939 -6.506 1.00 0.00 N ATOM 2034 NH2 ARG B 853 15.462 10.396 -7.631 1.00 0.00 N ATOM 0 H ARG B 853 8.056 11.200 -4.701 1.00 0.00 H new ATOM 0 HA ARG B 853 10.617 10.058 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG B 853 9.657 12.025 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG B 853 10.048 12.996 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG B 853 11.902 13.086 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG B 853 12.399 12.175 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG B 853 12.082 10.058 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG B 853 11.350 10.866 -7.023 1.00 0.00 H new ATOM 0 HE ARG B 853 13.673 12.054 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG B 853 13.234 8.743 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG B 853 14.801 8.204 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG B 853 15.645 11.326 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG B 853 16.154 9.655 -7.743 1.00 0.00 H new ATOM 2048 N SER B 854 9.414 12.055 -1.910 1.00 0.00 N ATOM 2049 CA SER B 854 9.586 12.439 -0.517 1.00 0.00 C ATOM 2050 C SER B 854 9.512 11.198 0.376 1.00 0.00 C ATOM 2051 O SER B 854 10.292 11.033 1.311 1.00 0.00 O ATOM 2052 CB SER B 854 8.482 13.423 -0.120 1.00 0.00 C ATOM 2053 OG SER B 854 8.429 14.515 -1.028 1.00 0.00 O ATOM 0 H SER B 854 8.591 12.459 -2.358 1.00 0.00 H new ATOM 0 HA SER B 854 10.560 12.913 -0.391 1.00 0.00 H new ATOM 0 HB2 SER B 854 7.520 12.910 -0.104 1.00 0.00 H new ATOM 0 HB3 SER B 854 8.663 13.792 0.889 1.00 0.00 H new ATOM 0 HG SER B 854 7.957 14.241 -1.842 1.00 0.00 H new ATOM 2059 N LEU B 855 8.619 10.311 0.020 1.00 0.00 N ATOM 2060 CA LEU B 855 8.358 9.115 0.762 1.00 0.00 C ATOM 2061 C LEU B 855 9.571 8.201 0.708 1.00 0.00 C ATOM 2062 O LEU B 855 10.001 7.724 1.712 1.00 0.00 O ATOM 2063 CB LEU B 855 7.104 8.443 0.185 1.00 0.00 C ATOM 2064 CG LEU B 855 6.208 7.642 1.130 1.00 0.00 C ATOM 2065 CD1 LEU B 855 6.854 6.350 1.546 1.00 0.00 C ATOM 2066 CD2 LEU B 855 5.857 8.490 2.336 1.00 0.00 C ATOM 0 H LEU B 855 8.041 10.407 -0.815 1.00 0.00 H new ATOM 0 HA LEU B 855 8.173 9.345 1.811 1.00 0.00 H new ATOM 0 HB2 LEU B 855 6.492 9.220 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU B 855 7.424 7.775 -0.615 1.00 0.00 H new ATOM 0 HG LEU B 855 5.292 7.381 0.599 1.00 0.00 H new ATOM 0 HD11 LEU B 855 6.187 5.809 2.217 1.00 0.00 H new ATOM 0 HD12 LEU B 855 7.052 5.742 0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 855 7.792 6.561 2.059 1.00 0.00 H new ATOM 0 HD21 LEU B 855 5.218 7.918 3.009 1.00 0.00 H new ATOM 0 HD22 LEU B 855 6.770 8.776 2.858 1.00 0.00 H new ATOM 0 HD23 LEU B 855 5.330 9.386 2.009 1.00 0.00 H new ATOM 2078 N MET B 856 10.154 8.036 -0.463 1.00 0.00 N ATOM 2079 CA MET B 856 11.318 7.159 -0.611 1.00 0.00 C ATOM 2080 C MET B 856 12.581 7.789 -0.018 1.00 0.00 C ATOM 2081 O MET B 856 13.555 7.105 0.263 1.00 0.00 O ATOM 2082 CB MET B 856 11.553 6.776 -2.082 1.00 0.00 C ATOM 2083 CG MET B 856 11.922 7.945 -2.981 1.00 0.00 C ATOM 2084 SD MET B 856 12.172 7.483 -4.702 1.00 0.00 S ATOM 2085 CE MET B 856 10.525 6.964 -5.153 1.00 0.00 C ATOM 0 H MET B 856 9.850 8.490 -1.324 1.00 0.00 H new ATOM 0 HA MET B 856 11.099 6.249 -0.052 1.00 0.00 H new ATOM 0 HB2 MET B 856 12.348 6.032 -2.129 1.00 0.00 H new ATOM 0 HB3 MET B 856 10.651 6.304 -2.471 1.00 0.00 H new ATOM 0 HG2 MET B 856 11.134 8.697 -2.926 1.00 0.00 H new ATOM 0 HG3 MET B 856 12.833 8.410 -2.603 1.00 0.00 H new ATOM 0 HE1 MET B 856 10.554 5.938 -5.519 1.00 0.00 H new ATOM 0 HE2 MET B 856 9.874 7.019 -4.280 1.00 0.00 H new ATOM 0 HE3 MET B 856 10.139 7.618 -5.935 1.00 0.00 H new ATOM 2095 N HIS B 857 12.561 9.084 0.151 1.00 0.00 N ATOM 2096 CA HIS B 857 13.700 9.788 0.697 1.00 0.00 C ATOM 2097 C HIS B 857 13.664 9.879 2.220 1.00 0.00 C ATOM 2098 O HIS B 857 14.711 9.977 2.870 1.00 0.00 O ATOM 2099 CB HIS B 857 13.880 11.161 0.039 1.00 0.00 C ATOM 2100 CG HIS B 857 14.587 11.098 -1.295 1.00 0.00 C ATOM 2101 ND1 HIS B 857 14.102 10.864 -2.532 1.00 0.00 N flip ATOM 2102 CD2 HIS B 857 15.943 11.296 -1.461 1.00 0.00 C flip ATOM 2103 CE1 HIS B 857 15.134 10.919 -3.455 1.00 0.00 C flip ATOM 2104 NE2 HIS B 857 16.224 11.180 -2.759 1.00 0.00 N flip ATOM 0 H HIS B 857 11.766 9.679 -0.082 1.00 0.00 H new ATOM 0 HA HIS B 857 14.581 9.193 0.454 1.00 0.00 H new ATOM 0 HB2 HIS B 857 12.902 11.621 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS B 857 14.445 11.807 0.711 1.00 0.00 H new ATOM 0 HD1 HIS B 857 13.124 10.675 -2.754 1.00 0.00 H new ATOM 0 HD2 HIS B 857 16.653 11.508 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS B 857 15.061 10.777 -4.523 1.00 0.00 H new ATOM 2112 N HIS B 858 12.486 9.859 2.792 1.00 0.00 N ATOM 2113 CA HIS B 858 12.365 9.896 4.248 1.00 0.00 C ATOM 2114 C HIS B 858 12.065 8.517 4.802 1.00 0.00 C ATOM 2115 O HIS B 858 12.502 8.167 5.891 1.00 0.00 O ATOM 2116 CB HIS B 858 11.277 10.873 4.714 1.00 0.00 C ATOM 2117 CG HIS B 858 11.555 12.332 4.464 1.00 0.00 C ATOM 2118 ND1 HIS B 858 11.472 13.060 3.324 1.00 0.00 N flip ATOM 2119 CD2 HIS B 858 11.906 13.222 5.452 1.00 0.00 C flip ATOM 2120 CE1 HIS B 858 11.766 14.390 3.608 1.00 0.00 C flip ATOM 2121 NE2 HIS B 858 12.020 14.428 4.907 1.00 0.00 N flip ATOM 0 H HIS B 858 11.600 9.818 2.288 1.00 0.00 H new ATOM 0 HA HIS B 858 13.325 10.244 4.629 1.00 0.00 H new ATOM 0 HB2 HIS B 858 10.343 10.610 4.218 1.00 0.00 H new ATOM 0 HB3 HIS B 858 11.121 10.730 5.783 1.00 0.00 H new ATOM 0 HD1 HIS B 858 11.232 12.691 2.404 1.00 0.00 H new ATOM 0 HD2 HIS B 858 12.062 12.981 6.493 1.00 0.00 H new ATOM 0 HE1 HIS B 858 11.783 15.218 2.914 1.00 0.00 H new ATOM 2129 N VAL B 859 11.335 7.745 4.047 1.00 0.00 N ATOM 2130 CA VAL B 859 10.898 6.429 4.449 1.00 0.00 C ATOM 2131 C VAL B 859 11.612 5.338 3.659 1.00 0.00 C ATOM 2132 O VAL B 859 11.861 5.473 2.466 1.00 0.00 O ATOM 2133 CB VAL B 859 9.342 6.314 4.319 1.00 0.00 C ATOM 2134 CG1 VAL B 859 8.882 4.888 4.238 1.00 0.00 C ATOM 2135 CG2 VAL B 859 8.704 6.925 5.523 1.00 0.00 C ATOM 0 H VAL B 859 11.018 8.014 3.116 1.00 0.00 H new ATOM 0 HA VAL B 859 11.163 6.283 5.496 1.00 0.00 H new ATOM 0 HB VAL B 859 9.056 6.828 3.401 1.00 0.00 H new ATOM 0 HG11 VAL B 859 7.796 4.861 4.149 1.00 0.00 H new ATOM 0 HG12 VAL B 859 9.330 4.410 3.367 1.00 0.00 H new ATOM 0 HG13 VAL B 859 9.186 4.356 5.140 1.00 0.00 H new ATOM 0 HG21 VAL B 859 7.620 6.848 5.439 1.00 0.00 H new ATOM 0 HG22 VAL B 859 9.037 6.399 6.418 1.00 0.00 H new ATOM 0 HG23 VAL B 859 8.989 7.975 5.593 1.00 0.00 H new ATOM 2145 N LYS B 860 11.992 4.294 4.358 1.00 0.00 N ATOM 2146 CA LYS B 860 12.664 3.158 3.773 1.00 0.00 C ATOM 2147 C LYS B 860 11.714 2.323 2.905 1.00 0.00 C ATOM 2148 O LYS B 860 11.997 2.062 1.730 1.00 0.00 O ATOM 2149 CB LYS B 860 13.208 2.280 4.895 1.00 0.00 C ATOM 2150 CG LYS B 860 14.039 1.100 4.431 1.00 0.00 C ATOM 2151 CD LYS B 860 14.414 0.187 5.583 1.00 0.00 C ATOM 2152 CE LYS B 860 15.140 0.946 6.680 1.00 0.00 C ATOM 2153 NZ LYS B 860 15.593 0.074 7.781 1.00 0.00 N ATOM 0 H LYS B 860 11.841 4.209 5.363 1.00 0.00 H new ATOM 0 HA LYS B 860 13.469 3.526 3.137 1.00 0.00 H new ATOM 0 HB2 LYS B 860 13.815 2.896 5.558 1.00 0.00 H new ATOM 0 HB3 LYS B 860 12.370 1.907 5.485 1.00 0.00 H new ATOM 0 HG2 LYS B 860 13.481 0.534 3.685 1.00 0.00 H new ATOM 0 HG3 LYS B 860 14.945 1.462 3.945 1.00 0.00 H new ATOM 0 HD2 LYS B 860 13.514 -0.274 5.992 1.00 0.00 H new ATOM 0 HD3 LYS B 860 15.048 -0.621 5.217 1.00 0.00 H new ATOM 0 HE2 LYS B 860 16.002 1.458 6.251 1.00 0.00 H new ATOM 0 HE3 LYS B 860 14.479 1.715 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 860 16.081 0.647 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS B 860 14.771 -0.396 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 860 16.246 -0.644 7.409 1.00 0.00 H new ATOM 2167 N ASN B 861 10.593 1.922 3.482 1.00 0.00 N ATOM 2168 CA ASN B 861 9.673 0.997 2.834 1.00 0.00 C ATOM 2169 C ASN B 861 8.242 1.261 3.268 1.00 0.00 C ATOM 2170 O ASN B 861 8.003 2.016 4.215 1.00 0.00 O ATOM 2171 CB ASN B 861 10.103 -0.441 3.199 1.00 0.00 C ATOM 2172 CG ASN B 861 10.183 -0.674 4.705 1.00 0.00 C ATOM 2173 OD1 ASN B 861 9.386 -0.185 5.464 1.00 0.00 O ATOM 2174 ND2 ASN B 861 11.195 -1.341 5.144 1.00 0.00 N ATOM 0 H ASN B 861 10.295 2.226 4.409 1.00 0.00 H new ATOM 0 HA ASN B 861 9.709 1.133 1.753 1.00 0.00 H new ATOM 0 HB2 ASN B 861 9.396 -1.147 2.764 1.00 0.00 H new ATOM 0 HB3 ASN B 861 11.076 -0.648 2.752 1.00 0.00 H new ATOM 0 HD21 ASN B 861 11.330 -1.461 6.148 1.00 0.00 H new ATOM 0 HD22 ASN B 861 11.861 -1.749 4.487 1.00 0.00 H new ATOM 2181 N ILE B 862 7.304 0.622 2.594 1.00 0.00 N ATOM 2182 CA ILE B 862 5.883 0.753 2.902 1.00 0.00 C ATOM 2183 C ILE B 862 5.561 0.331 4.348 1.00 0.00 C ATOM 2184 O ILE B 862 4.594 0.802 4.928 1.00 0.00 O ATOM 2185 CB ILE B 862 4.957 -0.035 1.932 1.00 0.00 C ATOM 2186 CG1 ILE B 862 5.512 -1.438 1.606 1.00 0.00 C ATOM 2187 CG2 ILE B 862 4.658 0.776 0.673 1.00 0.00 C ATOM 2188 CD1 ILE B 862 6.408 -1.513 0.387 1.00 0.00 C ATOM 0 H ILE B 862 7.502 -0.005 1.814 1.00 0.00 H new ATOM 0 HA ILE B 862 5.677 1.816 2.775 1.00 0.00 H new ATOM 0 HB ILE B 862 4.009 -0.196 2.446 1.00 0.00 H new ATOM 0 HG12 ILE B 862 6.070 -1.799 2.470 1.00 0.00 H new ATOM 0 HG13 ILE B 862 4.673 -2.118 1.462 1.00 0.00 H new ATOM 0 HG21 ILE B 862 4.009 0.199 0.014 1.00 0.00 H new ATOM 0 HG22 ILE B 862 4.161 1.706 0.949 1.00 0.00 H new ATOM 0 HG23 ILE B 862 5.591 1.002 0.156 1.00 0.00 H new ATOM 0 HD11 ILE B 862 6.744 -2.540 0.245 1.00 0.00 H new ATOM 0 HD12 ILE B 862 5.853 -1.188 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE B 862 7.272 -0.865 0.530 1.00 0.00 H new ATOM 2200 N ALA B 863 6.370 -0.568 4.919 1.00 0.00 N ATOM 2201 CA ALA B 863 6.188 -0.996 6.308 1.00 0.00 C ATOM 2202 C ALA B 863 6.381 0.172 7.265 1.00 0.00 C ATOM 2203 O ALA B 863 5.529 0.429 8.111 1.00 0.00 O ATOM 2204 CB ALA B 863 7.126 -2.138 6.661 1.00 0.00 C ATOM 0 H ALA B 863 7.155 -1.012 4.441 1.00 0.00 H new ATOM 0 HA ALA B 863 5.165 -1.359 6.411 1.00 0.00 H new ATOM 0 HB1 ALA B 863 6.966 -2.433 7.698 1.00 0.00 H new ATOM 0 HB2 ALA B 863 6.927 -2.988 6.008 1.00 0.00 H new ATOM 0 HB3 ALA B 863 8.159 -1.814 6.531 1.00 0.00 H new ATOM 2210 N GLU B 864 7.483 0.901 7.092 1.00 0.00 N ATOM 2211 CA GLU B 864 7.786 2.066 7.918 1.00 0.00 C ATOM 2212 C GLU B 864 6.716 3.120 7.704 1.00 0.00 C ATOM 2213 O GLU B 864 6.320 3.808 8.632 1.00 0.00 O ATOM 2214 CB GLU B 864 9.163 2.647 7.566 1.00 0.00 C ATOM 2215 CG GLU B 864 10.332 1.679 7.723 1.00 0.00 C ATOM 2216 CD GLU B 864 10.493 1.157 9.126 1.00 0.00 C ATOM 2217 OE1 GLU B 864 11.122 1.848 9.952 1.00 0.00 O ATOM 2218 OE2 GLU B 864 10.010 0.045 9.417 1.00 0.00 O ATOM 0 H GLU B 864 8.186 0.701 6.380 1.00 0.00 H new ATOM 0 HA GLU B 864 7.804 1.759 8.964 1.00 0.00 H new ATOM 0 HB2 GLU B 864 9.139 2.999 6.535 1.00 0.00 H new ATOM 0 HB3 GLU B 864 9.345 3.518 8.196 1.00 0.00 H new ATOM 0 HG2 GLU B 864 10.191 0.838 7.044 1.00 0.00 H new ATOM 0 HG3 GLU B 864 11.252 2.180 7.422 1.00 0.00 H new ATOM 2225 N LEU B 865 6.252 3.205 6.465 1.00 0.00 N ATOM 2226 CA LEU B 865 5.170 4.095 6.059 1.00 0.00 C ATOM 2227 C LEU B 865 3.885 3.789 6.812 1.00 0.00 C ATOM 2228 O LEU B 865 3.271 4.671 7.386 1.00 0.00 O ATOM 2229 CB LEU B 865 4.917 3.939 4.556 1.00 0.00 C ATOM 2230 CG LEU B 865 3.593 4.497 4.022 1.00 0.00 C ATOM 2231 CD1 LEU B 865 3.490 5.980 4.233 1.00 0.00 C ATOM 2232 CD2 LEU B 865 3.402 4.129 2.575 1.00 0.00 C ATOM 0 H LEU B 865 6.624 2.646 5.697 1.00 0.00 H new ATOM 0 HA LEU B 865 5.470 5.117 6.291 1.00 0.00 H new ATOM 0 HB2 LEU B 865 5.732 4.426 4.021 1.00 0.00 H new ATOM 0 HB3 LEU B 865 4.963 2.878 4.311 1.00 0.00 H new ATOM 0 HG LEU B 865 2.785 4.039 4.593 1.00 0.00 H new ATOM 0 HD11 LEU B 865 2.538 6.338 3.841 1.00 0.00 H new ATOM 0 HD12 LEU B 865 3.550 6.201 5.299 1.00 0.00 H new ATOM 0 HD13 LEU B 865 4.307 6.479 3.712 1.00 0.00 H new ATOM 0 HD21 LEU B 865 2.456 4.536 2.218 1.00 0.00 H new ATOM 0 HD22 LEU B 865 4.220 4.541 1.984 1.00 0.00 H new ATOM 0 HD23 LEU B 865 3.392 3.044 2.474 1.00 0.00 H new ATOM 2244 N ALA B 866 3.492 2.543 6.809 1.00 0.00 N ATOM 2245 CA ALA B 866 2.255 2.150 7.437 1.00 0.00 C ATOM 2246 C ALA B 866 2.370 2.215 8.960 1.00 0.00 C ATOM 2247 O ALA B 866 1.363 2.285 9.679 1.00 0.00 O ATOM 2248 CB ALA B 866 1.837 0.766 6.978 1.00 0.00 C ATOM 0 H ALA B 866 4.012 1.779 6.377 1.00 0.00 H new ATOM 0 HA ALA B 866 1.480 2.854 7.133 1.00 0.00 H new ATOM 0 HB1 ALA B 866 0.901 0.489 7.464 1.00 0.00 H new ATOM 0 HB2 ALA B 866 1.698 0.768 5.897 1.00 0.00 H new ATOM 0 HB3 ALA B 866 2.611 0.046 7.243 1.00 0.00 H new ATOM 2254 N ALA B 867 3.598 2.185 9.438 1.00 0.00 N ATOM 2255 CA ALA B 867 3.888 2.301 10.846 1.00 0.00 C ATOM 2256 C ALA B 867 4.011 3.775 11.247 1.00 0.00 C ATOM 2257 O ALA B 867 4.151 4.111 12.433 1.00 0.00 O ATOM 2258 CB ALA B 867 5.160 1.544 11.179 1.00 0.00 C ATOM 0 H ALA B 867 4.426 2.078 8.852 1.00 0.00 H new ATOM 0 HA ALA B 867 3.066 1.863 11.413 1.00 0.00 H new ATOM 0 HB1 ALA B 867 5.371 1.637 12.244 1.00 0.00 H new ATOM 0 HB2 ALA B 867 5.034 0.492 10.925 1.00 0.00 H new ATOM 0 HB3 ALA B 867 5.990 1.958 10.607 1.00 0.00 H new ATOM 2264 N LEU B 868 3.958 4.651 10.265 1.00 0.00 N ATOM 2265 CA LEU B 868 4.011 6.070 10.511 1.00 0.00 C ATOM 2266 C LEU B 868 2.730 6.580 11.065 1.00 0.00 C ATOM 2267 O LEU B 868 1.641 6.131 10.688 1.00 0.00 O ATOM 2268 CB LEU B 868 4.323 6.872 9.260 1.00 0.00 C ATOM 2269 CG LEU B 868 5.738 6.851 8.754 1.00 0.00 C ATOM 2270 CD1 LEU B 868 5.824 7.695 7.509 1.00 0.00 C ATOM 2271 CD2 LEU B 868 6.672 7.385 9.819 1.00 0.00 C ATOM 0 H LEU B 868 3.877 4.397 9.280 1.00 0.00 H new ATOM 0 HA LEU B 868 4.817 6.202 11.233 1.00 0.00 H new ATOM 0 HB2 LEU B 868 3.675 6.513 8.460 1.00 0.00 H new ATOM 0 HB3 LEU B 868 4.050 7.910 9.450 1.00 0.00 H new ATOM 0 HG LEU B 868 6.033 5.829 8.518 1.00 0.00 H new ATOM 0 HD11 LEU B 868 6.847 7.686 7.134 1.00 0.00 H new ATOM 0 HD12 LEU B 868 5.155 7.291 6.749 1.00 0.00 H new ATOM 0 HD13 LEU B 868 5.532 8.719 7.743 1.00 0.00 H new ATOM 0 HD21 LEU B 868 7.696 7.367 9.447 1.00 0.00 H new ATOM 0 HD22 LEU B 868 6.394 8.409 10.067 1.00 0.00 H new ATOM 0 HD23 LEU B 868 6.600 6.763 10.711 1.00 0.00 H new ATOM 2283 N SER B 869 2.851 7.503 11.954 1.00 0.00 N ATOM 2284 CA SER B 869 1.720 8.176 12.468 1.00 0.00 C ATOM 2285 C SER B 869 1.362 9.257 11.455 1.00 0.00 C ATOM 2286 O SER B 869 2.217 9.624 10.620 1.00 0.00 O ATOM 2287 CB SER B 869 2.044 8.760 13.843 1.00 0.00 C ATOM 2288 OG SER B 869 0.905 9.304 14.485 1.00 0.00 O ATOM 0 H SER B 869 3.742 7.810 12.344 1.00 0.00 H new ATOM 0 HA SER B 869 0.872 7.505 12.609 1.00 0.00 H new ATOM 0 HB2 SER B 869 2.474 7.981 14.473 1.00 0.00 H new ATOM 0 HB3 SER B 869 2.801 9.537 13.735 1.00 0.00 H new ATOM 0 HG SER B 869 1.163 9.663 15.360 1.00 0.00 H new ATOM 2294 N GLN B 870 0.136 9.767 11.509 1.00 0.00 N ATOM 2295 CA GLN B 870 -0.307 10.739 10.531 1.00 0.00 C ATOM 2296 C GLN B 870 0.601 11.942 10.470 1.00 0.00 C ATOM 2297 O GLN B 870 1.043 12.314 9.409 1.00 0.00 O ATOM 2298 CB GLN B 870 -1.751 11.180 10.725 1.00 0.00 C ATOM 2299 CG GLN B 870 -2.157 12.217 9.684 1.00 0.00 C ATOM 2300 CD GLN B 870 -3.611 12.566 9.652 1.00 0.00 C ATOM 2301 OE1 GLN B 870 -4.323 12.509 10.662 1.00 0.00 O ATOM 2302 NE2 GLN B 870 -4.053 12.968 8.491 1.00 0.00 N ATOM 0 H GLN B 870 -0.559 9.523 12.215 1.00 0.00 H new ATOM 0 HA GLN B 870 -0.256 10.217 9.575 1.00 0.00 H new ATOM 0 HB2 GLN B 870 -2.410 10.315 10.656 1.00 0.00 H new ATOM 0 HB3 GLN B 870 -1.875 11.597 11.725 1.00 0.00 H new ATOM 0 HG2 GLN B 870 -1.587 13.128 9.864 1.00 0.00 H new ATOM 0 HG3 GLN B 870 -1.868 11.849 8.699 1.00 0.00 H new ATOM 0 HE21 GLN B 870 -3.425 12.997 7.688 1.00 0.00 H new ATOM 0 HE22 GLN B 870 -5.027 13.253 8.387 1.00 0.00 H new ATOM 2311 N ASP B 871 0.932 12.489 11.612 1.00 0.00 N ATOM 2312 CA ASP B 871 1.759 13.702 11.683 1.00 0.00 C ATOM 2313 C ASP B 871 3.106 13.515 11.001 1.00 0.00 C ATOM 2314 O ASP B 871 3.663 14.462 10.427 1.00 0.00 O ATOM 2315 CB ASP B 871 1.960 14.134 13.124 1.00 0.00 C ATOM 2316 CG ASP B 871 0.679 14.516 13.805 1.00 0.00 C ATOM 2317 OD1 ASP B 871 0.058 15.528 13.422 1.00 0.00 O ATOM 2318 OD2 ASP B 871 0.259 13.804 14.728 1.00 0.00 O ATOM 0 H ASP B 871 0.647 12.122 12.520 1.00 0.00 H new ATOM 0 HA ASP B 871 1.222 14.485 11.148 1.00 0.00 H new ATOM 0 HB2 ASP B 871 2.432 13.323 13.678 1.00 0.00 H new ATOM 0 HB3 ASP B 871 2.646 14.980 13.152 1.00 0.00 H new ATOM 2323 N GLU B 872 3.597 12.287 11.020 1.00 0.00 N ATOM 2324 CA GLU B 872 4.857 11.950 10.409 1.00 0.00 C ATOM 2325 C GLU B 872 4.730 11.982 8.905 1.00 0.00 C ATOM 2326 O GLU B 872 5.467 12.688 8.225 1.00 0.00 O ATOM 2327 CB GLU B 872 5.311 10.571 10.846 1.00 0.00 C ATOM 2328 CG GLU B 872 5.484 10.441 12.328 1.00 0.00 C ATOM 2329 CD GLU B 872 6.466 11.431 12.880 1.00 0.00 C ATOM 2330 OE1 GLU B 872 7.678 11.198 12.783 1.00 0.00 O ATOM 2331 OE2 GLU B 872 6.037 12.469 13.433 1.00 0.00 O ATOM 0 H GLU B 872 3.126 11.498 11.463 1.00 0.00 H new ATOM 0 HA GLU B 872 5.597 12.684 10.727 1.00 0.00 H new ATOM 0 HB2 GLU B 872 4.584 9.833 10.507 1.00 0.00 H new ATOM 0 HB3 GLU B 872 6.256 10.336 10.356 1.00 0.00 H new ATOM 0 HG2 GLU B 872 4.520 10.579 12.817 1.00 0.00 H new ATOM 0 HG3 GLU B 872 5.819 9.431 12.564 1.00 0.00 H new ATOM 2338 N LEU B 873 3.759 11.251 8.390 1.00 0.00 N ATOM 2339 CA LEU B 873 3.546 11.186 6.960 1.00 0.00 C ATOM 2340 C LEU B 873 3.103 12.534 6.383 1.00 0.00 C ATOM 2341 O LEU B 873 3.524 12.912 5.300 1.00 0.00 O ATOM 2342 CB LEU B 873 2.649 9.984 6.564 1.00 0.00 C ATOM 2343 CG LEU B 873 1.338 9.773 7.338 1.00 0.00 C ATOM 2344 CD1 LEU B 873 0.231 10.646 6.814 1.00 0.00 C ATOM 2345 CD2 LEU B 873 0.933 8.309 7.343 1.00 0.00 C ATOM 0 H LEU B 873 3.106 10.695 8.942 1.00 0.00 H new ATOM 0 HA LEU B 873 4.506 10.986 6.485 1.00 0.00 H new ATOM 0 HB2 LEU B 873 2.400 10.088 5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 873 3.245 9.077 6.663 1.00 0.00 H new ATOM 0 HG LEU B 873 1.520 10.072 8.370 1.00 0.00 H new ATOM 0 HD11 LEU B 873 -0.678 10.466 7.389 1.00 0.00 H new ATOM 0 HD12 LEU B 873 0.518 11.693 6.908 1.00 0.00 H new ATOM 0 HD13 LEU B 873 0.049 10.413 5.765 1.00 0.00 H new ATOM 0 HD21 LEU B 873 0.002 8.191 7.898 1.00 0.00 H new ATOM 0 HD22 LEU B 873 0.790 7.968 6.318 1.00 0.00 H new ATOM 0 HD23 LEU B 873 1.716 7.717 7.817 1.00 0.00 H new ATOM 2357 N THR B 874 2.328 13.275 7.150 1.00 0.00 N ATOM 2358 CA THR B 874 1.916 14.609 6.793 1.00 0.00 C ATOM 2359 C THR B 874 3.151 15.543 6.651 1.00 0.00 C ATOM 2360 O THR B 874 3.201 16.418 5.765 1.00 0.00 O ATOM 2361 CB THR B 874 0.921 15.154 7.861 1.00 0.00 C ATOM 2362 OG1 THR B 874 -0.276 14.364 7.869 1.00 0.00 O ATOM 2363 CG2 THR B 874 0.572 16.613 7.635 1.00 0.00 C ATOM 0 H THR B 874 1.965 12.959 8.049 1.00 0.00 H new ATOM 0 HA THR B 874 1.410 14.581 5.828 1.00 0.00 H new ATOM 0 HB THR B 874 1.418 15.083 8.828 1.00 0.00 H new ATOM 0 HG1 THR B 874 -0.107 13.519 8.335 1.00 0.00 H new ATOM 0 HG21 THR B 874 -0.124 16.944 8.406 1.00 0.00 H new ATOM 0 HG22 THR B 874 1.479 17.216 7.682 1.00 0.00 H new ATOM 0 HG23 THR B 874 0.110 16.729 6.655 1.00 0.00 H new ATOM 2371 N SER B 875 4.154 15.317 7.482 1.00 0.00 N ATOM 2372 CA SER B 875 5.358 16.099 7.437 1.00 0.00 C ATOM 2373 C SER B 875 6.210 15.690 6.219 1.00 0.00 C ATOM 2374 O SER B 875 6.716 16.544 5.484 1.00 0.00 O ATOM 2375 CB SER B 875 6.143 15.937 8.747 1.00 0.00 C ATOM 2376 OG SER B 875 7.243 16.827 8.808 1.00 0.00 O ATOM 0 H SER B 875 4.149 14.591 8.198 1.00 0.00 H new ATOM 0 HA SER B 875 5.098 17.152 7.329 1.00 0.00 H new ATOM 0 HB2 SER B 875 5.481 16.117 9.594 1.00 0.00 H new ATOM 0 HB3 SER B 875 6.499 14.911 8.834 1.00 0.00 H new ATOM 0 HG SER B 875 7.720 16.700 9.654 1.00 0.00 H new ATOM 2382 N ILE B 876 6.323 14.394 6.004 1.00 0.00 N ATOM 2383 CA ILE B 876 7.097 13.837 4.902 1.00 0.00 C ATOM 2384 C ILE B 876 6.511 14.220 3.535 1.00 0.00 C ATOM 2385 O ILE B 876 7.231 14.692 2.653 1.00 0.00 O ATOM 2386 CB ILE B 876 7.194 12.292 5.040 1.00 0.00 C ATOM 2387 CG1 ILE B 876 7.973 11.939 6.319 1.00 0.00 C ATOM 2388 CG2 ILE B 876 7.836 11.657 3.804 1.00 0.00 C ATOM 2389 CD1 ILE B 876 8.060 10.461 6.611 1.00 0.00 C ATOM 0 H ILE B 876 5.878 13.689 6.592 1.00 0.00 H new ATOM 0 HA ILE B 876 8.098 14.264 4.955 1.00 0.00 H new ATOM 0 HB ILE B 876 6.186 11.884 5.116 1.00 0.00 H new ATOM 0 HG12 ILE B 876 8.983 12.340 6.236 1.00 0.00 H new ATOM 0 HG13 ILE B 876 7.501 12.437 7.166 1.00 0.00 H new ATOM 0 HG21 ILE B 876 7.888 10.576 3.935 1.00 0.00 H new ATOM 0 HG22 ILE B 876 7.236 11.887 2.924 1.00 0.00 H new ATOM 0 HG23 ILE B 876 8.842 12.055 3.672 1.00 0.00 H new ATOM 0 HD11 ILE B 876 8.626 10.304 7.529 1.00 0.00 H new ATOM 0 HD12 ILE B 876 7.056 10.054 6.729 1.00 0.00 H new ATOM 0 HD13 ILE B 876 8.561 9.956 5.785 1.00 0.00 H new ATOM 2401 N LEU B 877 5.221 14.033 3.378 1.00 0.00 N ATOM 2402 CA LEU B 877 4.542 14.305 2.117 1.00 0.00 C ATOM 2403 C LEU B 877 4.389 15.793 1.879 1.00 0.00 C ATOM 2404 O LEU B 877 4.561 16.270 0.759 1.00 0.00 O ATOM 2405 CB LEU B 877 3.173 13.648 2.124 1.00 0.00 C ATOM 2406 CG LEU B 877 3.169 12.146 2.363 1.00 0.00 C ATOM 2407 CD1 LEU B 877 1.761 11.648 2.552 1.00 0.00 C ATOM 2408 CD2 LEU B 877 3.834 11.411 1.221 1.00 0.00 C ATOM 0 H LEU B 877 4.607 13.689 4.116 1.00 0.00 H new ATOM 0 HA LEU B 877 5.149 13.894 1.311 1.00 0.00 H new ATOM 0 HB2 LEU B 877 2.565 14.123 2.895 1.00 0.00 H new ATOM 0 HB3 LEU B 877 2.689 13.848 1.168 1.00 0.00 H new ATOM 0 HG LEU B 877 3.738 11.949 3.271 1.00 0.00 H new ATOM 0 HD11 LEU B 877 1.776 10.571 2.722 1.00 0.00 H new ATOM 0 HD12 LEU B 877 1.312 12.145 3.412 1.00 0.00 H new ATOM 0 HD13 LEU B 877 1.175 11.866 1.659 1.00 0.00 H new ATOM 0 HD21 LEU B 877 3.817 10.339 1.419 1.00 0.00 H new ATOM 0 HD22 LEU B 877 3.298 11.618 0.294 1.00 0.00 H new ATOM 0 HD23 LEU B 877 4.867 11.746 1.125 1.00 0.00 H new ATOM 2420 N GLY B 878 4.050 16.522 2.923 1.00 0.00 N ATOM 2421 CA GLY B 878 3.856 17.946 2.806 1.00 0.00 C ATOM 2422 C GLY B 878 2.392 18.286 2.699 1.00 0.00 C ATOM 2423 O GLY B 878 1.875 19.125 3.443 1.00 0.00 O ATOM 0 H GLY B 878 3.904 16.148 3.861 1.00 0.00 H new ATOM 0 HA2 GLY B 878 4.287 18.447 3.673 1.00 0.00 H new ATOM 0 HA3 GLY B 878 4.384 18.317 1.928 1.00 0.00 H new ATOM 2427 N ASN B 879 1.722 17.612 1.794 1.00 0.00 N ATOM 2428 CA ASN B 879 0.307 17.810 1.555 1.00 0.00 C ATOM 2429 C ASN B 879 -0.531 17.136 2.609 1.00 0.00 C ATOM 2430 O ASN B 879 -0.487 15.908 2.759 1.00 0.00 O ATOM 2431 CB ASN B 879 -0.105 17.263 0.203 1.00 0.00 C ATOM 2432 CG ASN B 879 -0.392 18.321 -0.825 1.00 0.00 C ATOM 2433 OD1 ASN B 879 0.481 18.713 -1.596 1.00 0.00 O ATOM 2434 ND2 ASN B 879 -1.614 18.801 -0.841 1.00 0.00 N ATOM 0 H ASN B 879 2.146 16.903 1.196 1.00 0.00 H new ATOM 0 HA ASN B 879 0.138 18.886 1.586 1.00 0.00 H new ATOM 0 HB2 ASN B 879 0.687 16.614 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN B 879 -0.993 16.643 0.329 1.00 0.00 H new ATOM 0 HD21 ASN B 879 -1.868 19.527 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN B 879 -2.309 18.448 -0.183 1.00 0.00 H new ATOM 2441 N ALA B 880 -1.313 17.930 3.305 1.00 0.00 N ATOM 2442 CA ALA B 880 -2.203 17.455 4.356 1.00 0.00 C ATOM 2443 C ALA B 880 -3.209 16.437 3.822 1.00 0.00 C ATOM 2444 O ALA B 880 -3.428 15.387 4.432 1.00 0.00 O ATOM 2445 CB ALA B 880 -2.931 18.630 4.971 1.00 0.00 C ATOM 0 H ALA B 880 -1.354 18.939 3.160 1.00 0.00 H new ATOM 0 HA ALA B 880 -1.599 16.957 5.115 1.00 0.00 H new ATOM 0 HB1 ALA B 880 -3.597 18.274 5.757 1.00 0.00 H new ATOM 0 HB2 ALA B 880 -2.207 19.325 5.396 1.00 0.00 H new ATOM 0 HB3 ALA B 880 -3.515 19.138 4.204 1.00 0.00 H new ATOM 2451 N ALA B 881 -3.793 16.733 2.664 1.00 0.00 N ATOM 2452 CA ALA B 881 -4.772 15.843 2.063 1.00 0.00 C ATOM 2453 C ALA B 881 -4.148 14.545 1.682 1.00 0.00 C ATOM 2454 O ALA B 881 -4.700 13.500 1.953 1.00 0.00 O ATOM 2455 CB ALA B 881 -5.402 16.428 0.819 1.00 0.00 C ATOM 0 H ALA B 881 -3.604 17.580 2.128 1.00 0.00 H new ATOM 0 HA ALA B 881 -5.542 15.697 2.820 1.00 0.00 H new ATOM 0 HB1 ALA B 881 -6.125 15.722 0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 881 -5.907 17.360 1.071 1.00 0.00 H new ATOM 0 HB3 ALA B 881 -4.628 16.624 0.077 1.00 0.00 H new ATOM 2461 N ASN B 882 -3.023 14.602 0.991 1.00 0.00 N ATOM 2462 CA ASN B 882 -2.338 13.380 0.482 1.00 0.00 C ATOM 2463 C ASN B 882 -2.044 12.450 1.630 1.00 0.00 C ATOM 2464 O ASN B 882 -2.211 11.236 1.524 1.00 0.00 O ATOM 2465 CB ASN B 882 -1.021 13.737 -0.208 1.00 0.00 C ATOM 2466 CG ASN B 882 -1.151 14.554 -1.480 1.00 0.00 C ATOM 2467 OD1 ASN B 882 -0.107 14.556 -2.274 1.00 0.00 O flip ATOM 2468 ND2 ASN B 882 -2.139 15.256 -1.690 1.00 0.00 N flip ATOM 0 H ASN B 882 -2.547 15.474 0.758 1.00 0.00 H new ATOM 0 HA ASN B 882 -2.998 12.898 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN B 882 -0.400 14.290 0.497 1.00 0.00 H new ATOM 0 HB3 ASN B 882 -0.492 12.813 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN B 882 -2.932 15.226 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN B 882 -2.166 15.868 -2.506 1.00 0.00 H new ATOM 2475 N ALA B 883 -1.648 13.052 2.736 1.00 0.00 N ATOM 2476 CA ALA B 883 -1.396 12.355 3.972 1.00 0.00 C ATOM 2477 C ALA B 883 -2.646 11.637 4.419 1.00 0.00 C ATOM 2478 O ALA B 883 -2.602 10.486 4.822 1.00 0.00 O ATOM 2479 CB ALA B 883 -0.961 13.353 5.004 1.00 0.00 C ATOM 0 H ALA B 883 -1.491 14.058 2.796 1.00 0.00 H new ATOM 0 HA ALA B 883 -0.610 11.613 3.833 1.00 0.00 H new ATOM 0 HB1 ALA B 883 -0.766 12.841 5.946 1.00 0.00 H new ATOM 0 HB2 ALA B 883 -0.052 13.852 4.667 1.00 0.00 H new ATOM 0 HB3 ALA B 883 -1.748 14.093 5.149 1.00 0.00 H new ATOM 2485 N LYS B 884 -3.759 12.323 4.292 1.00 0.00 N ATOM 2486 CA LYS B 884 -5.063 11.808 4.602 1.00 0.00 C ATOM 2487 C LYS B 884 -5.404 10.594 3.758 1.00 0.00 C ATOM 2488 O LYS B 884 -5.830 9.583 4.281 1.00 0.00 O ATOM 2489 CB LYS B 884 -6.088 12.944 4.482 1.00 0.00 C ATOM 2490 CG LYS B 884 -7.543 12.583 4.179 1.00 0.00 C ATOM 2491 CD LYS B 884 -8.392 12.223 5.413 1.00 0.00 C ATOM 2492 CE LYS B 884 -8.093 10.863 5.979 1.00 0.00 C ATOM 2493 NZ LYS B 884 -8.968 10.527 7.121 1.00 0.00 N ATOM 0 H LYS B 884 -3.776 13.287 3.958 1.00 0.00 H new ATOM 0 HA LYS B 884 -5.082 11.447 5.630 1.00 0.00 H new ATOM 0 HB2 LYS B 884 -6.073 13.505 5.417 1.00 0.00 H new ATOM 0 HB3 LYS B 884 -5.744 13.620 3.699 1.00 0.00 H new ATOM 0 HG2 LYS B 884 -8.011 13.423 3.666 1.00 0.00 H new ATOM 0 HG3 LYS B 884 -7.557 11.740 3.488 1.00 0.00 H new ATOM 0 HD2 LYS B 884 -8.227 12.973 6.187 1.00 0.00 H new ATOM 0 HD3 LYS B 884 -9.447 12.270 5.143 1.00 0.00 H new ATOM 0 HE2 LYS B 884 -8.214 10.112 5.198 1.00 0.00 H new ATOM 0 HE3 LYS B 884 -7.052 10.826 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 884 -8.417 10.560 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 884 -9.748 11.213 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 884 -9.357 9.571 6.991 1.00 0.00 H new ATOM 2507 N GLN B 885 -5.140 10.683 2.492 1.00 0.00 N ATOM 2508 CA GLN B 885 -5.450 9.618 1.552 1.00 0.00 C ATOM 2509 C GLN B 885 -4.616 8.390 1.814 1.00 0.00 C ATOM 2510 O GLN B 885 -5.129 7.281 1.788 1.00 0.00 O ATOM 2511 CB GLN B 885 -5.262 10.133 0.163 1.00 0.00 C ATOM 2512 CG GLN B 885 -6.229 11.251 -0.116 1.00 0.00 C ATOM 2513 CD GLN B 885 -5.783 12.195 -1.097 1.00 0.00 C ATOM 2514 OE1 GLN B 885 -5.287 13.202 -0.593 1.00 0.00 O flip ATOM 2515 NE2 GLN B 885 -5.965 12.045 -2.301 1.00 0.00 N flip ATOM 0 H GLN B 885 -4.700 11.498 2.065 1.00 0.00 H new ATOM 0 HA GLN B 885 -6.488 9.312 1.680 1.00 0.00 H new ATOM 0 HB2 GLN B 885 -4.239 10.488 0.035 1.00 0.00 H new ATOM 0 HB3 GLN B 885 -5.412 9.326 -0.554 1.00 0.00 H new ATOM 0 HG2 GLN B 885 -7.174 10.822 -0.448 1.00 0.00 H new ATOM 0 HG3 GLN B 885 -6.429 11.782 0.815 1.00 0.00 H new ATOM 0 HE21 GLN B 885 -6.382 11.182 -2.650 1.00 0.00 H new ATOM 0 HE22 GLN B 885 -5.699 12.783 -2.953 1.00 0.00 H new ATOM 2524 N LEU B 886 -3.342 8.589 2.091 1.00 0.00 N ATOM 2525 CA LEU B 886 -2.481 7.480 2.447 1.00 0.00 C ATOM 2526 C LEU B 886 -2.901 6.877 3.757 1.00 0.00 C ATOM 2527 O LEU B 886 -3.301 5.714 3.815 1.00 0.00 O ATOM 2528 CB LEU B 886 -1.009 7.885 2.515 1.00 0.00 C ATOM 2529 CG LEU B 886 -0.196 7.661 1.256 1.00 0.00 C ATOM 2530 CD1 LEU B 886 1.190 8.246 1.409 1.00 0.00 C ATOM 2531 CD2 LEU B 886 -0.094 6.180 0.959 1.00 0.00 C ATOM 0 H LEU B 886 -2.884 9.500 2.077 1.00 0.00 H new ATOM 0 HA LEU B 886 -2.586 6.738 1.656 1.00 0.00 H new ATOM 0 HB2 LEU B 886 -0.956 8.943 2.774 1.00 0.00 H new ATOM 0 HB3 LEU B 886 -0.539 7.334 3.329 1.00 0.00 H new ATOM 0 HG LEU B 886 -0.699 8.160 0.428 1.00 0.00 H new ATOM 0 HD11 LEU B 886 1.760 8.076 0.495 1.00 0.00 H new ATOM 0 HD12 LEU B 886 1.114 9.317 1.595 1.00 0.00 H new ATOM 0 HD13 LEU B 886 1.697 7.767 2.247 1.00 0.00 H new ATOM 0 HD21 LEU B 886 0.492 6.030 0.052 1.00 0.00 H new ATOM 0 HD22 LEU B 886 0.392 5.674 1.793 1.00 0.00 H new ATOM 0 HD23 LEU B 886 -1.093 5.768 0.817 1.00 0.00 H new ATOM 2543 N TYR B 887 -2.857 7.696 4.791 1.00 0.00 N ATOM 2544 CA TYR B 887 -3.154 7.293 6.142 1.00 0.00 C ATOM 2545 C TYR B 887 -4.493 6.564 6.244 1.00 0.00 C ATOM 2546 O TYR B 887 -4.556 5.450 6.784 1.00 0.00 O ATOM 2547 CB TYR B 887 -3.113 8.522 7.075 1.00 0.00 C ATOM 2548 CG TYR B 887 -3.595 8.248 8.468 1.00 0.00 C ATOM 2549 CD1 TYR B 887 -2.788 7.609 9.410 1.00 0.00 C ATOM 2550 CD2 TYR B 887 -4.880 8.593 8.831 1.00 0.00 C ATOM 2551 CE1 TYR B 887 -3.263 7.336 10.668 1.00 0.00 C ATOM 2552 CE2 TYR B 887 -5.361 8.317 10.077 1.00 0.00 C ATOM 2553 CZ TYR B 887 -4.552 7.688 10.999 1.00 0.00 C ATOM 2554 OH TYR B 887 -5.039 7.399 12.250 1.00 0.00 O ATOM 0 H TYR B 887 -2.607 8.681 4.707 1.00 0.00 H new ATOM 0 HA TYR B 887 -2.390 6.582 6.458 1.00 0.00 H new ATOM 0 HB2 TYR B 887 -2.090 8.895 7.123 1.00 0.00 H new ATOM 0 HB3 TYR B 887 -3.721 9.315 6.641 1.00 0.00 H new ATOM 0 HD1 TYR B 887 -1.780 7.326 9.146 1.00 0.00 H new ATOM 0 HD2 TYR B 887 -5.517 9.091 8.115 1.00 0.00 H new ATOM 0 HE1 TYR B 887 -2.630 6.848 11.394 1.00 0.00 H new ATOM 0 HE2 TYR B 887 -6.372 8.590 10.340 1.00 0.00 H new ATOM 0 HH TYR B 887 -5.964 7.715 12.322 1.00 0.00 H new ATOM 2564 N ASP B 888 -5.536 7.164 5.695 1.00 0.00 N ATOM 2565 CA ASP B 888 -6.876 6.597 5.775 1.00 0.00 C ATOM 2566 C ASP B 888 -6.941 5.266 5.077 1.00 0.00 C ATOM 2567 O ASP B 888 -7.405 4.304 5.660 1.00 0.00 O ATOM 2568 CB ASP B 888 -7.903 7.539 5.175 1.00 0.00 C ATOM 2569 CG ASP B 888 -9.337 7.105 5.405 1.00 0.00 C ATOM 2570 OD1 ASP B 888 -9.882 6.303 4.623 1.00 0.00 O ATOM 2571 OD2 ASP B 888 -9.949 7.571 6.380 1.00 0.00 O ATOM 0 H ASP B 888 -5.482 8.047 5.187 1.00 0.00 H new ATOM 0 HA ASP B 888 -7.106 6.453 6.831 1.00 0.00 H new ATOM 0 HB2 ASP B 888 -7.762 8.533 5.598 1.00 0.00 H new ATOM 0 HB3 ASP B 888 -7.725 7.621 4.103 1.00 0.00 H new ATOM 2576 N PHE B 889 -6.420 5.215 3.850 1.00 0.00 N ATOM 2577 CA PHE B 889 -6.440 4.014 3.027 1.00 0.00 C ATOM 2578 C PHE B 889 -5.746 2.854 3.689 1.00 0.00 C ATOM 2579 O PHE B 889 -6.290 1.749 3.758 1.00 0.00 O ATOM 2580 CB PHE B 889 -5.804 4.263 1.666 1.00 0.00 C ATOM 2581 CG PHE B 889 -5.609 3.003 0.870 1.00 0.00 C ATOM 2582 CD1 PHE B 889 -6.674 2.397 0.241 1.00 0.00 C ATOM 2583 CD2 PHE B 889 -4.355 2.423 0.774 1.00 0.00 C ATOM 2584 CE1 PHE B 889 -6.498 1.236 -0.469 1.00 0.00 C ATOM 2585 CE2 PHE B 889 -4.172 1.264 0.063 1.00 0.00 C ATOM 2586 CZ PHE B 889 -5.243 0.670 -0.558 1.00 0.00 C ATOM 0 H PHE B 889 -5.971 6.013 3.401 1.00 0.00 H new ATOM 0 HA PHE B 889 -7.491 3.758 2.896 1.00 0.00 H new ATOM 0 HB2 PHE B 889 -6.430 4.951 1.099 1.00 0.00 H new ATOM 0 HB3 PHE B 889 -4.839 4.751 1.806 1.00 0.00 H new ATOM 0 HD1 PHE B 889 -7.657 2.840 0.307 1.00 0.00 H new ATOM 0 HD2 PHE B 889 -3.512 2.888 1.264 1.00 0.00 H new ATOM 0 HE1 PHE B 889 -7.340 0.767 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE B 889 -3.190 0.821 -0.008 1.00 0.00 H new ATOM 0 HZ PHE B 889 -5.102 -0.243 -1.118 1.00 0.00 H new ATOM 2596 N ILE B 890 -4.542 3.107 4.161 1.00 0.00 N ATOM 2597 CA ILE B 890 -3.727 2.097 4.799 1.00 0.00 C ATOM 2598 C ILE B 890 -4.479 1.505 5.974 1.00 0.00 C ATOM 2599 O ILE B 890 -4.485 0.291 6.179 1.00 0.00 O ATOM 2600 CB ILE B 890 -2.376 2.708 5.274 1.00 0.00 C ATOM 2601 CG1 ILE B 890 -1.598 3.245 4.064 1.00 0.00 C ATOM 2602 CG2 ILE B 890 -1.545 1.677 6.034 1.00 0.00 C ATOM 2603 CD1 ILE B 890 -0.380 4.093 4.407 1.00 0.00 C ATOM 0 H ILE B 890 -4.100 4.025 4.112 1.00 0.00 H new ATOM 0 HA ILE B 890 -3.511 1.308 4.079 1.00 0.00 H new ATOM 0 HB ILE B 890 -2.586 3.531 5.957 1.00 0.00 H new ATOM 0 HG12 ILE B 890 -1.274 2.401 3.455 1.00 0.00 H new ATOM 0 HG13 ILE B 890 -2.275 3.840 3.450 1.00 0.00 H new ATOM 0 HG21 ILE B 890 -0.607 2.130 6.354 1.00 0.00 H new ATOM 0 HG22 ILE B 890 -2.100 1.335 6.908 1.00 0.00 H new ATOM 0 HG23 ILE B 890 -1.334 0.828 5.383 1.00 0.00 H new ATOM 0 HD11 ILE B 890 0.102 4.425 3.488 1.00 0.00 H new ATOM 0 HD12 ILE B 890 -0.693 4.961 4.987 1.00 0.00 H new ATOM 0 HD13 ILE B 890 0.323 3.500 4.992 1.00 0.00 H new ATOM 2615 N HIS B 891 -5.197 2.361 6.652 1.00 0.00 N ATOM 2616 CA HIS B 891 -5.901 1.991 7.858 1.00 0.00 C ATOM 2617 C HIS B 891 -7.391 1.727 7.617 1.00 0.00 C ATOM 2618 O HIS B 891 -8.204 1.810 8.550 1.00 0.00 O ATOM 2619 CB HIS B 891 -5.712 3.072 8.920 1.00 0.00 C ATOM 2620 CG HIS B 891 -4.301 3.148 9.369 1.00 0.00 C ATOM 2621 ND1 HIS B 891 -3.371 3.923 8.755 1.00 0.00 N ATOM 2622 CD2 HIS B 891 -3.642 2.451 10.322 1.00 0.00 C ATOM 2623 CE1 HIS B 891 -2.200 3.681 9.310 1.00 0.00 C ATOM 2624 NE2 HIS B 891 -2.296 2.793 10.278 1.00 0.00 N ATOM 0 H HIS B 891 -5.312 3.339 6.385 1.00 0.00 H new ATOM 0 HA HIS B 891 -5.473 1.052 8.210 1.00 0.00 H new ATOM 0 HB2 HIS B 891 -6.020 4.037 8.518 1.00 0.00 H new ATOM 0 HB3 HIS B 891 -6.356 2.862 9.774 1.00 0.00 H new ATOM 0 HD1 HIS B 891 -3.548 4.580 7.995 1.00 0.00 H new ATOM 0 HD2 HIS B 891 -4.089 1.744 11.006 1.00 0.00 H new ATOM 0 HE1 HIS B 891 -1.276 4.152 9.008 1.00 0.00 H new ATOM 2632 N THR B 892 -7.768 1.406 6.392 1.00 0.00 N ATOM 2633 CA THR B 892 -9.158 1.164 6.123 1.00 0.00 C ATOM 2634 C THR B 892 -9.349 -0.033 5.181 1.00 0.00 C ATOM 2635 O THR B 892 -8.375 -0.660 4.726 1.00 0.00 O ATOM 2636 CB THR B 892 -9.862 2.441 5.553 1.00 0.00 C ATOM 2637 OG1 THR B 892 -11.282 2.335 5.712 1.00 0.00 O ATOM 2638 CG2 THR B 892 -9.556 2.643 4.073 1.00 0.00 C ATOM 0 H THR B 892 -7.143 1.311 5.592 1.00 0.00 H new ATOM 0 HA THR B 892 -9.631 0.918 7.074 1.00 0.00 H new ATOM 0 HB THR B 892 -9.478 3.294 6.112 1.00 0.00 H new ATOM 0 HG1 THR B 892 -11.712 3.139 5.354 1.00 0.00 H new ATOM 0 HG21 THR B 892 -10.063 3.539 3.716 1.00 0.00 H new ATOM 0 HG22 THR B 892 -8.481 2.755 3.936 1.00 0.00 H new ATOM 0 HG23 THR B 892 -9.905 1.779 3.508 1.00 0.00 H new ATOM 2646 N SER B 893 -10.595 -0.329 4.905 1.00 0.00 N ATOM 2647 CA SER B 893 -10.977 -1.383 4.042 1.00 0.00 C ATOM 2648 C SER B 893 -11.993 -0.841 3.057 1.00 0.00 C ATOM 2649 O SER B 893 -12.674 0.144 3.337 1.00 0.00 O ATOM 2650 CB SER B 893 -11.610 -2.527 4.850 1.00 0.00 C ATOM 2651 OG SER B 893 -11.920 -3.634 4.005 1.00 0.00 O ATOM 0 H SER B 893 -11.386 0.183 5.295 1.00 0.00 H new ATOM 0 HA SER B 893 -10.102 -1.769 3.519 1.00 0.00 H new ATOM 0 HB2 SER B 893 -10.925 -2.845 5.636 1.00 0.00 H new ATOM 0 HB3 SER B 893 -12.517 -2.173 5.341 1.00 0.00 H new ATOM 0 HG SER B 893 -11.091 -4.018 3.651 1.00 0.00 H new ATOM 2657 N PHE B 894 -12.112 -1.486 1.928 1.00 0.00 N ATOM 2658 CA PHE B 894 -13.086 -1.097 0.927 1.00 0.00 C ATOM 2659 C PHE B 894 -14.475 -1.513 1.404 1.00 0.00 C ATOM 2660 O PHE B 894 -15.470 -0.874 1.126 1.00 0.00 O ATOM 2661 CB PHE B 894 -12.766 -1.767 -0.437 1.00 0.00 C ATOM 2662 CG PHE B 894 -12.945 -3.273 -0.468 1.00 0.00 C ATOM 2663 CD1 PHE B 894 -11.994 -4.121 0.087 1.00 0.00 C ATOM 2664 CD2 PHE B 894 -14.083 -3.833 -1.037 1.00 0.00 C ATOM 2665 CE1 PHE B 894 -12.175 -5.491 0.070 1.00 0.00 C ATOM 2666 CE2 PHE B 894 -14.269 -5.198 -1.054 1.00 0.00 C ATOM 2667 CZ PHE B 894 -13.314 -6.029 -0.500 1.00 0.00 C ATOM 0 H PHE B 894 -11.543 -2.293 1.671 1.00 0.00 H new ATOM 0 HA PHE B 894 -13.050 -0.016 0.788 1.00 0.00 H new ATOM 0 HB2 PHE B 894 -13.405 -1.324 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE B 894 -11.736 -1.533 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE B 894 -11.104 -3.705 0.536 1.00 0.00 H new ATOM 0 HD2 PHE B 894 -14.832 -3.189 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE B 894 -11.428 -6.141 0.501 1.00 0.00 H new ATOM 0 HE2 PHE B 894 -15.159 -5.618 -1.499 1.00 0.00 H new ATOM 0 HZ PHE B 894 -13.457 -7.099 -0.512 1.00 0.00 H new