USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 902 ASN : amide:sc= -0.0794 X(o=-0.14,f=-0.15) USER MOD Set 1.2: A 906 GLN : amide:sc= -0.0582 X(o=-0.14,f=0) USER MOD Set 2.1: A 833 THR OG1 : rot -162:sc= 0.545 USER MOD Set 2.2: A 867 THR OG1 : rot 71:sc= 0.125 USER MOD Set 3.1: A 816 MET CE :methyl 180:sc= -1.65 (180deg=-1.65) USER MOD Set 3.2: A 822 MET CE :methyl 158:sc= -0.419 (180deg=-0.702) USER MOD Set 3.3: A 887 GLN : amide:sc= 2.16 K(o=0.086,f=-3.4) USER MOD Single : A 798 TYR OH : rot 93:sc= 0.611 USER MOD Single : A 800 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.48) USER MOD Single : A 802 THR OG1 : rot 170:sc= -1.53! USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 79:sc= 1.33 USER MOD Single : A 811 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.6!) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 72:sc= 1.24 USER MOD Single : A 825 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.6) USER MOD Single : A 831 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 834 SER OG : rot 94:sc= 1.26 USER MOD Single : A 838 ASN : amide:sc= 1.24 K(o=1.2,f=-0.095) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 180:sc= 0 USER MOD Single : A 852 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 853 SER OG : rot -106:sc= 1.12 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 137:sc= -0.896 (180deg=-1.53) USER MOD Single : A 875 LYS NZ :NH3+ 162:sc= -0.0462 (180deg=-0.436) USER MOD Single : A 880 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.0057) USER MOD Single : A 883 SER OG : rot 180:sc= 0 USER MOD Single : A 886 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.14) USER MOD Single : A 888 GLN : amide:sc= 0.435 K(o=0.44,f=-9.3!) USER MOD Single : A 899 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 901 THR OG1 : rot 77:sc= 0.492 USER MOD Single : A 907 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 11.280 -0.874 -1.181 1.00 0.00 N ATOM 220 CA TYR A 798 9.958 -1.001 -0.573 1.00 0.00 C ATOM 221 C TYR A 798 9.244 -2.250 -1.081 1.00 0.00 C ATOM 222 O TYR A 798 8.112 -2.521 -0.687 1.00 0.00 O ATOM 223 CB TYR A 798 9.069 0.205 -0.903 1.00 0.00 C ATOM 224 CG TYR A 798 9.647 1.564 -0.570 1.00 0.00 C ATOM 225 CD1 TYR A 798 10.281 1.770 0.649 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.587 2.623 -1.466 1.00 0.00 C ATOM 227 CE1 TYR A 798 10.837 2.992 0.967 1.00 0.00 C ATOM 228 CE2 TYR A 798 10.146 3.849 -1.156 1.00 0.00 C ATOM 229 CZ TYR A 798 10.646 4.089 0.021 1.00 0.00 C ATOM 230 OH TYR A 798 11.334 5.238 0.378 1.00 0.00 O ATOM 0 HA TYR A 798 10.117 -1.062 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 798 8.838 0.181 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.125 0.093 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 798 10.340 0.959 1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 798 9.097 2.487 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 798 11.393 3.133 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 798 10.168 4.624 -1.907 1.00 0.00 H new ATOM 0 HH TYR A 798 12.213 5.241 -0.056 1.00 0.00 H new ATOM 240 N ASP A 799 9.918 -3.022 -1.928 1.00 0.00 N ATOM 241 CA ASP A 799 9.247 -4.061 -2.714 1.00 0.00 C ATOM 242 C ASP A 799 8.714 -5.197 -1.845 1.00 0.00 C ATOM 243 O ASP A 799 7.724 -5.837 -2.192 1.00 0.00 O ATOM 244 CB ASP A 799 10.189 -4.619 -3.782 1.00 0.00 C ATOM 245 CG ASP A 799 9.524 -5.665 -4.655 1.00 0.00 C ATOM 246 OD1 ASP A 799 8.591 -5.316 -5.410 1.00 0.00 O ATOM 247 OD2 ASP A 799 9.925 -6.843 -4.592 1.00 0.00 O ATOM 0 H ASP A 799 10.923 -2.951 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 799 8.391 -3.588 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 799 10.547 -3.802 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 799 11.063 -5.056 -3.298 1.00 0.00 H new ATOM 252 N GLN A 800 9.350 -5.438 -0.710 1.00 0.00 N ATOM 253 CA GLN A 800 8.887 -6.481 0.196 1.00 0.00 C ATOM 254 C GLN A 800 7.598 -6.060 0.892 1.00 0.00 C ATOM 255 O GLN A 800 6.691 -6.871 1.085 1.00 0.00 O ATOM 256 CB GLN A 800 9.963 -6.822 1.226 1.00 0.00 C ATOM 257 CG GLN A 800 11.119 -7.618 0.648 1.00 0.00 C ATOM 258 CD GLN A 800 10.685 -8.979 0.135 1.00 0.00 C ATOM 259 OE1 GLN A 800 10.310 -9.133 -1.027 1.00 0.00 O ATOM 260 NE2 GLN A 800 10.730 -9.977 1.003 1.00 0.00 N ATOM 0 H GLN A 800 10.179 -4.933 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 800 8.682 -7.374 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.348 -5.898 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.511 -7.390 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 800 11.574 -7.054 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.885 -7.748 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 800 11.047 -9.809 1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 800 10.448 -10.915 0.717 1.00 0.00 H new ATOM 269 N ALA A 801 7.514 -4.787 1.246 1.00 0.00 N ATOM 270 CA ALA A 801 6.340 -4.260 1.922 1.00 0.00 C ATOM 271 C ALA A 801 5.207 -4.007 0.932 1.00 0.00 C ATOM 272 O ALA A 801 4.043 -4.293 1.226 1.00 0.00 O ATOM 273 CB ALA A 801 6.691 -2.987 2.673 1.00 0.00 C ATOM 0 H ALA A 801 8.247 -4.099 1.076 1.00 0.00 H new ATOM 0 HA ALA A 801 5.996 -5.004 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 801 5.802 -2.604 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.461 -3.202 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 801 7.062 -2.241 1.970 1.00 0.00 H new ATOM 279 N THR A 802 5.546 -3.488 -0.243 1.00 0.00 N ATOM 280 CA THR A 802 4.547 -3.207 -1.264 1.00 0.00 C ATOM 281 C THR A 802 3.901 -4.496 -1.754 1.00 0.00 C ATOM 282 O THR A 802 2.691 -4.545 -1.970 1.00 0.00 O ATOM 283 CB THR A 802 5.150 -2.447 -2.463 1.00 0.00 C ATOM 284 OG1 THR A 802 6.309 -3.133 -2.945 1.00 0.00 O ATOM 285 CG2 THR A 802 5.518 -1.023 -2.078 1.00 0.00 C ATOM 0 H THR A 802 6.502 -3.254 -0.510 1.00 0.00 H new ATOM 0 HA THR A 802 3.790 -2.573 -0.803 1.00 0.00 H new ATOM 0 HB THR A 802 4.398 -2.406 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.591 -2.740 -3.797 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.941 -0.510 -2.942 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.625 -0.494 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 802 6.252 -1.042 -1.272 1.00 0.00 H new ATOM 293 N ASP A 803 4.716 -5.539 -1.907 1.00 0.00 N ATOM 294 CA ASP A 803 4.238 -6.853 -2.339 1.00 0.00 C ATOM 295 C ASP A 803 3.014 -7.286 -1.541 1.00 0.00 C ATOM 296 O ASP A 803 2.008 -7.711 -2.113 1.00 0.00 O ATOM 297 CB ASP A 803 5.345 -7.895 -2.185 1.00 0.00 C ATOM 298 CG ASP A 803 4.872 -9.302 -2.500 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.905 -9.691 -3.686 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.449 -10.017 -1.568 1.00 0.00 O ATOM 0 H ASP A 803 5.721 -5.498 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 803 3.955 -6.775 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 803 6.174 -7.639 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.728 -7.865 -1.165 1.00 0.00 H new ATOM 305 N THR A 804 3.099 -7.158 -0.222 1.00 0.00 N ATOM 306 CA THR A 804 1.991 -7.508 0.649 1.00 0.00 C ATOM 307 C THR A 804 0.765 -6.653 0.332 1.00 0.00 C ATOM 308 O THR A 804 -0.317 -7.182 0.086 1.00 0.00 O ATOM 309 CB THR A 804 2.379 -7.338 2.131 1.00 0.00 C ATOM 310 OG1 THR A 804 3.560 -8.099 2.409 1.00 0.00 O ATOM 311 CG2 THR A 804 1.253 -7.790 3.048 1.00 0.00 C ATOM 0 H THR A 804 3.926 -6.814 0.265 1.00 0.00 H new ATOM 0 HA THR A 804 1.747 -8.555 0.472 1.00 0.00 H new ATOM 0 HB THR A 804 2.568 -6.281 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 804 3.806 -7.988 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.555 -7.659 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.362 -7.194 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.034 -8.842 2.864 1.00 0.00 H new ATOM 319 N ILE A 805 0.951 -5.338 0.298 1.00 0.00 N ATOM 320 CA ILE A 805 -0.154 -4.417 0.052 1.00 0.00 C ATOM 321 C ILE A 805 -0.827 -4.701 -1.288 1.00 0.00 C ATOM 322 O ILE A 805 -2.034 -4.930 -1.335 1.00 0.00 O ATOM 323 CB ILE A 805 0.302 -2.945 0.095 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.806 -2.588 1.495 1.00 0.00 C ATOM 325 CG2 ILE A 805 -0.838 -2.020 -0.320 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.247 -1.150 1.638 1.00 0.00 C ATOM 0 H ILE A 805 1.855 -4.886 0.437 1.00 0.00 H new ATOM 0 HA ILE A 805 -0.874 -4.579 0.854 1.00 0.00 H new ATOM 0 HB ILE A 805 1.122 -2.813 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.015 -2.789 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.642 -3.241 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.498 -0.985 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.153 -2.263 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.679 -2.150 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.591 -0.974 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 805 2.060 -0.948 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.409 -0.489 1.419 1.00 0.00 H new ATOM 338 N LEU A 806 -0.046 -4.714 -2.368 1.00 0.00 N ATOM 339 CA LEU A 806 -0.596 -4.930 -3.706 1.00 0.00 C ATOM 340 C LEU A 806 -1.406 -6.221 -3.770 1.00 0.00 C ATOM 341 O LEU A 806 -2.525 -6.231 -4.290 1.00 0.00 O ATOM 342 CB LEU A 806 0.507 -4.961 -4.772 1.00 0.00 C ATOM 343 CG LEU A 806 0.952 -3.595 -5.312 1.00 0.00 C ATOM 344 CD1 LEU A 806 -0.250 -2.718 -5.617 1.00 0.00 C ATOM 345 CD2 LEU A 806 1.889 -2.899 -4.344 1.00 0.00 C ATOM 0 H LEU A 806 0.965 -4.578 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.256 -4.088 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.377 -5.466 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 806 0.160 -5.566 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 806 1.497 -3.767 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 806 0.090 -1.755 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.875 -3.205 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -0.828 -2.564 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.186 -1.934 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.381 -2.747 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.774 -3.515 -4.188 1.00 0.00 H new ATOM 357 N THR A 807 -0.852 -7.293 -3.219 1.00 0.00 N ATOM 358 CA THR A 807 -1.502 -8.594 -3.256 1.00 0.00 C ATOM 359 C THR A 807 -2.797 -8.592 -2.438 1.00 0.00 C ATOM 360 O THR A 807 -3.828 -9.087 -2.891 1.00 0.00 O ATOM 361 CB THR A 807 -0.560 -9.697 -2.732 1.00 0.00 C ATOM 362 OG1 THR A 807 0.704 -9.619 -3.408 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.165 -11.078 -2.943 1.00 0.00 C ATOM 0 H THR A 807 0.049 -7.286 -2.740 1.00 0.00 H new ATOM 0 HA THR A 807 -1.748 -8.803 -4.297 1.00 0.00 H new ATOM 0 HB THR A 807 -0.416 -9.542 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.251 -8.916 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.480 -11.837 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.113 -11.146 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.336 -11.242 -4.007 1.00 0.00 H new ATOM 371 N VAL A 808 -2.748 -8.018 -1.239 1.00 0.00 N ATOM 372 CA VAL A 808 -3.921 -7.980 -0.373 1.00 0.00 C ATOM 373 C VAL A 808 -4.993 -7.048 -0.940 1.00 0.00 C ATOM 374 O VAL A 808 -6.182 -7.334 -0.837 1.00 0.00 O ATOM 375 CB VAL A 808 -3.559 -7.543 1.065 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.800 -7.484 1.947 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.533 -8.488 1.669 1.00 0.00 C ATOM 0 H VAL A 808 -1.916 -7.576 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.317 -8.995 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 808 -3.128 -6.543 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.517 -7.174 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.508 -6.766 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.264 -8.469 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.291 -8.164 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.942 -9.498 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.629 -8.481 1.060 1.00 0.00 H new ATOM 387 N THR A 809 -4.562 -5.952 -1.556 1.00 0.00 N ATOM 388 CA THR A 809 -5.482 -4.970 -2.127 1.00 0.00 C ATOM 389 C THR A 809 -6.458 -5.611 -3.110 1.00 0.00 C ATOM 390 O THR A 809 -7.674 -5.466 -2.981 1.00 0.00 O ATOM 391 CB THR A 809 -4.720 -3.849 -2.856 1.00 0.00 C ATOM 392 OG1 THR A 809 -3.871 -3.152 -1.941 1.00 0.00 O ATOM 393 CG2 THR A 809 -5.690 -2.876 -3.503 1.00 0.00 C ATOM 0 H THR A 809 -3.576 -5.719 -1.674 1.00 0.00 H new ATOM 0 HA THR A 809 -6.041 -4.552 -1.290 1.00 0.00 H new ATOM 0 HB THR A 809 -4.108 -4.302 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.056 -3.674 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.132 -2.091 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.311 -3.407 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.324 -2.431 -2.736 1.00 0.00 H new ATOM 401 N GLU A 810 -5.921 -6.331 -4.087 1.00 0.00 N ATOM 402 CA GLU A 810 -6.748 -6.957 -5.104 1.00 0.00 C ATOM 403 C GLU A 810 -7.638 -8.033 -4.487 1.00 0.00 C ATOM 404 O GLU A 810 -8.713 -8.339 -5.009 1.00 0.00 O ATOM 405 CB GLU A 810 -5.884 -7.521 -6.238 1.00 0.00 C ATOM 406 CG GLU A 810 -4.776 -8.450 -5.779 1.00 0.00 C ATOM 407 CD GLU A 810 -3.883 -8.886 -6.922 1.00 0.00 C ATOM 408 OE1 GLU A 810 -2.914 -8.163 -7.233 1.00 0.00 O ATOM 409 OE2 GLU A 810 -4.149 -9.949 -7.520 1.00 0.00 O ATOM 0 H GLU A 810 -4.920 -6.494 -4.194 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.399 -6.197 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -6.527 -8.059 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -5.441 -6.691 -6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.174 -7.948 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -5.214 -9.329 -5.307 1.00 0.00 H new ATOM 416 N ASN A 811 -7.200 -8.579 -3.354 1.00 0.00 N ATOM 417 CA ASN A 811 -7.960 -9.606 -2.652 1.00 0.00 C ATOM 418 C ASN A 811 -9.312 -9.083 -2.181 1.00 0.00 C ATOM 419 O ASN A 811 -10.257 -9.854 -2.048 1.00 0.00 O ATOM 420 CB ASN A 811 -7.186 -10.165 -1.455 1.00 0.00 C ATOM 421 CG ASN A 811 -6.076 -11.113 -1.855 1.00 0.00 C ATOM 422 OD1 ASN A 811 -6.158 -11.788 -2.881 1.00 0.00 O ATOM 423 ND2 ASN A 811 -5.039 -11.190 -1.037 1.00 0.00 N ATOM 0 H ASN A 811 -6.321 -8.325 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.125 -10.410 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.762 -9.338 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.879 -10.685 -0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.270 -11.826 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.009 -10.613 -0.196 1.00 0.00 H new ATOM 430 N ILE A 812 -9.408 -7.777 -1.931 1.00 0.00 N ATOM 431 CA ILE A 812 -10.679 -7.172 -1.531 1.00 0.00 C ATOM 432 C ILE A 812 -11.754 -7.449 -2.579 1.00 0.00 C ATOM 433 O ILE A 812 -12.879 -7.822 -2.248 1.00 0.00 O ATOM 434 CB ILE A 812 -10.553 -5.639 -1.295 1.00 0.00 C ATOM 435 CG1 ILE A 812 -9.930 -5.341 0.071 1.00 0.00 C ATOM 436 CG2 ILE A 812 -11.904 -4.948 -1.405 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.438 -5.558 0.134 1.00 0.00 C ATOM 0 H ILE A 812 -8.629 -7.122 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 812 -10.966 -7.629 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 812 -9.898 -5.247 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.146 -4.307 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.409 -5.971 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -11.781 -3.878 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.316 -5.112 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.584 -5.358 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.078 -5.324 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.211 -6.598 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -7.945 -4.908 -0.589 1.00 0.00 H new ATOM 449 N PHE A 813 -11.382 -7.308 -3.845 1.00 0.00 N ATOM 450 CA PHE A 813 -12.311 -7.523 -4.948 1.00 0.00 C ATOM 451 C PHE A 813 -12.645 -9.003 -5.093 1.00 0.00 C ATOM 452 O PHE A 813 -13.762 -9.366 -5.448 1.00 0.00 O ATOM 453 CB PHE A 813 -11.719 -6.993 -6.253 1.00 0.00 C ATOM 454 CG PHE A 813 -11.497 -5.507 -6.255 1.00 0.00 C ATOM 455 CD1 PHE A 813 -10.315 -4.965 -5.774 1.00 0.00 C ATOM 456 CD2 PHE A 813 -12.471 -4.654 -6.743 1.00 0.00 C ATOM 457 CE1 PHE A 813 -10.113 -3.600 -5.779 1.00 0.00 C ATOM 458 CE2 PHE A 813 -12.275 -3.288 -6.751 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.095 -2.761 -6.270 1.00 0.00 C ATOM 0 H PHE A 813 -10.440 -7.045 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.230 -6.979 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.769 -7.494 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.385 -7.253 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -9.544 -5.618 -5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -13.396 -5.062 -7.122 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -9.189 -3.188 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -13.044 -2.633 -7.133 1.00 0.00 H new ATOM 0 HZ PHE A 813 -10.938 -1.692 -6.277 1.00 0.00 H new ATOM 469 N SER A 814 -11.673 -9.855 -4.799 1.00 0.00 N ATOM 470 CA SER A 814 -11.869 -11.294 -4.901 1.00 0.00 C ATOM 471 C SER A 814 -12.713 -11.804 -3.731 1.00 0.00 C ATOM 472 O SER A 814 -13.425 -12.804 -3.852 1.00 0.00 O ATOM 473 CB SER A 814 -10.510 -12.007 -4.938 1.00 0.00 C ATOM 474 OG SER A 814 -10.662 -13.388 -5.225 1.00 0.00 O ATOM 0 H SER A 814 -10.743 -9.575 -4.489 1.00 0.00 H new ATOM 0 HA SER A 814 -12.403 -11.512 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.874 -11.544 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.007 -11.886 -3.979 1.00 0.00 H new ATOM 0 HG SER A 814 -9.781 -13.817 -5.244 1.00 0.00 H new ATOM 480 N SER A 815 -12.641 -11.102 -2.607 1.00 0.00 N ATOM 481 CA SER A 815 -13.384 -11.481 -1.412 1.00 0.00 C ATOM 482 C SER A 815 -14.824 -10.973 -1.469 1.00 0.00 C ATOM 483 O SER A 815 -15.611 -11.228 -0.557 1.00 0.00 O ATOM 484 CB SER A 815 -12.684 -10.941 -0.165 1.00 0.00 C ATOM 485 OG SER A 815 -11.323 -11.341 -0.136 1.00 0.00 O ATOM 0 H SER A 815 -12.072 -10.262 -2.498 1.00 0.00 H new ATOM 0 HA SER A 815 -13.413 -12.570 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.748 -9.853 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.193 -11.303 0.728 1.00 0.00 H new ATOM 0 HG SER A 815 -10.822 -10.846 -0.818 1.00 0.00 H new ATOM 491 N MET A 816 -15.146 -10.234 -2.538 1.00 0.00 N ATOM 492 CA MET A 816 -16.496 -9.706 -2.752 1.00 0.00 C ATOM 493 C MET A 816 -17.557 -10.769 -2.494 1.00 0.00 C ATOM 494 O MET A 816 -17.708 -11.716 -3.269 1.00 0.00 O ATOM 495 CB MET A 816 -16.640 -9.182 -4.180 1.00 0.00 C ATOM 496 CG MET A 816 -16.221 -7.735 -4.332 1.00 0.00 C ATOM 497 SD MET A 816 -17.327 -6.617 -3.464 1.00 0.00 S ATOM 498 CE MET A 816 -16.492 -5.064 -3.731 1.00 0.00 C ATOM 0 H MET A 816 -14.483 -9.988 -3.273 1.00 0.00 H new ATOM 0 HA MET A 816 -16.645 -8.890 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 816 -16.039 -9.799 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 816 -17.678 -9.288 -4.495 1.00 0.00 H new ATOM 0 HG2 MET A 816 -15.207 -7.610 -3.951 1.00 0.00 H new ATOM 0 HG3 MET A 816 -16.199 -7.474 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 816 -17.054 -4.262 -3.252 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.491 -5.111 -3.303 1.00 0.00 H new ATOM 0 HE3 MET A 816 -16.421 -4.868 -4.801 1.00 0.00 H new ATOM 508 N GLY A 817 -18.278 -10.614 -1.398 1.00 0.00 N ATOM 509 CA GLY A 817 -19.282 -11.585 -1.027 1.00 0.00 C ATOM 510 C GLY A 817 -19.277 -11.842 0.462 1.00 0.00 C ATOM 511 O GLY A 817 -20.331 -11.874 1.097 1.00 0.00 O ATOM 0 H GLY A 817 -18.185 -9.828 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.266 -11.229 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.102 -12.519 -1.560 1.00 0.00 H new ATOM 515 N ASP A 818 -18.089 -12.012 1.025 1.00 0.00 N ATOM 516 CA ASP A 818 -17.958 -12.204 2.460 1.00 0.00 C ATOM 517 C ASP A 818 -17.462 -10.930 3.118 1.00 0.00 C ATOM 518 O ASP A 818 -16.341 -10.481 2.873 1.00 0.00 O ATOM 519 CB ASP A 818 -17.019 -13.363 2.794 1.00 0.00 C ATOM 520 CG ASP A 818 -16.870 -13.553 4.292 1.00 0.00 C ATOM 521 OD1 ASP A 818 -17.892 -13.736 4.982 1.00 0.00 O ATOM 522 OD2 ASP A 818 -15.724 -13.543 4.789 1.00 0.00 O ATOM 0 H ASP A 818 -17.207 -12.021 0.512 1.00 0.00 H new ATOM 0 HA ASP A 818 -18.946 -12.452 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.401 -14.281 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.040 -13.177 2.352 1.00 0.00 H new ATOM 527 N ALA A 819 -18.307 -10.362 3.962 1.00 0.00 N ATOM 528 CA ALA A 819 -18.021 -9.093 4.613 1.00 0.00 C ATOM 529 C ALA A 819 -16.813 -9.202 5.538 1.00 0.00 C ATOM 530 O ALA A 819 -15.915 -8.359 5.501 1.00 0.00 O ATOM 531 CB ALA A 819 -19.244 -8.632 5.387 1.00 0.00 C ATOM 0 H ALA A 819 -19.209 -10.766 4.215 1.00 0.00 H new ATOM 0 HA ALA A 819 -17.780 -8.358 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.029 -7.681 5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.082 -8.507 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -19.499 -9.377 6.141 1.00 0.00 H new ATOM 537 N GLY A 820 -16.797 -10.250 6.349 1.00 0.00 N ATOM 538 CA GLY A 820 -15.710 -10.463 7.287 1.00 0.00 C ATOM 539 C GLY A 820 -14.341 -10.483 6.629 1.00 0.00 C ATOM 540 O GLY A 820 -13.404 -9.857 7.125 1.00 0.00 O ATOM 0 H GLY A 820 -17.525 -10.964 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -15.731 -9.676 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -15.869 -11.408 7.807 1.00 0.00 H new ATOM 544 N GLU A 821 -14.219 -11.201 5.517 1.00 0.00 N ATOM 545 CA GLU A 821 -12.941 -11.319 4.824 1.00 0.00 C ATOM 546 C GLU A 821 -12.521 -9.978 4.226 1.00 0.00 C ATOM 547 O GLU A 821 -11.362 -9.581 4.336 1.00 0.00 O ATOM 548 CB GLU A 821 -13.020 -12.375 3.720 1.00 0.00 C ATOM 549 CG GLU A 821 -11.660 -12.827 3.210 1.00 0.00 C ATOM 550 CD GLU A 821 -10.856 -13.557 4.268 1.00 0.00 C ATOM 551 OE1 GLU A 821 -11.131 -14.755 4.503 1.00 0.00 O ATOM 552 OE2 GLU A 821 -9.948 -12.945 4.865 1.00 0.00 O ATOM 0 H GLU A 821 -14.987 -11.708 5.078 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.193 -11.627 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -13.564 -13.242 4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -13.596 -11.974 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -11.798 -13.480 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.098 -11.959 2.866 1.00 0.00 H new ATOM 559 N MET A 822 -13.470 -9.279 3.610 1.00 0.00 N ATOM 560 CA MET A 822 -13.190 -7.987 2.982 1.00 0.00 C ATOM 561 C MET A 822 -12.659 -6.988 4.005 1.00 0.00 C ATOM 562 O MET A 822 -11.646 -6.327 3.773 1.00 0.00 O ATOM 563 CB MET A 822 -14.445 -7.423 2.311 1.00 0.00 C ATOM 564 CG MET A 822 -14.932 -8.238 1.123 1.00 0.00 C ATOM 565 SD MET A 822 -16.475 -7.608 0.429 1.00 0.00 S ATOM 566 CE MET A 822 -15.990 -5.946 -0.040 1.00 0.00 C ATOM 0 H MET A 822 -14.440 -9.584 3.531 1.00 0.00 H new ATOM 0 HA MET A 822 -12.427 -8.149 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.244 -7.364 3.050 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.241 -6.405 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.164 -8.239 0.349 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.074 -9.274 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.668 -5.572 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.034 -5.294 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 822 -14.973 -5.961 -0.431 1.00 0.00 H new ATOM 576 N VAL A 823 -13.339 -6.896 5.143 1.00 0.00 N ATOM 577 CA VAL A 823 -12.909 -6.006 6.218 1.00 0.00 C ATOM 578 C VAL A 823 -11.560 -6.458 6.775 1.00 0.00 C ATOM 579 O VAL A 823 -10.704 -5.635 7.114 1.00 0.00 O ATOM 580 CB VAL A 823 -13.949 -5.945 7.358 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.464 -5.055 8.493 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.288 -5.448 6.834 1.00 0.00 C ATOM 0 H VAL A 823 -14.188 -7.425 5.345 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.811 -5.006 5.795 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.079 -6.955 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -14.215 -5.030 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.531 -5.452 8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.298 -4.045 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -16.008 -5.412 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.166 -4.450 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.651 -6.126 6.061 1.00 0.00 H new ATOM 592 N ARG A 824 -11.375 -7.772 6.848 1.00 0.00 N ATOM 593 CA ARG A 824 -10.117 -8.347 7.302 1.00 0.00 C ATOM 594 C ARG A 824 -8.964 -7.924 6.397 1.00 0.00 C ATOM 595 O ARG A 824 -7.890 -7.570 6.878 1.00 0.00 O ATOM 596 CB ARG A 824 -10.215 -9.875 7.340 1.00 0.00 C ATOM 597 CG ARG A 824 -8.907 -10.557 7.691 1.00 0.00 C ATOM 598 CD ARG A 824 -8.447 -10.204 9.094 1.00 0.00 C ATOM 599 NE ARG A 824 -7.101 -10.699 9.368 1.00 0.00 N ATOM 600 CZ ARG A 824 -6.549 -10.714 10.578 1.00 0.00 C ATOM 601 NH1 ARG A 824 -7.268 -10.382 11.641 1.00 0.00 N ATOM 602 NH2 ARG A 824 -5.291 -11.105 10.729 1.00 0.00 N ATOM 0 H ARG A 824 -12.085 -8.460 6.597 1.00 0.00 H new ATOM 0 HA ARG A 824 -9.920 -7.975 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -10.973 -10.164 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.553 -10.234 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -9.027 -11.637 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.141 -10.265 6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.468 -9.122 9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.143 -10.624 9.820 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.552 -11.054 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.246 -10.114 11.532 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -6.843 -10.394 12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.746 -11.395 9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -4.868 -11.116 11.657 1.00 0.00 H new ATOM 616 N GLN A 825 -9.193 -7.961 5.088 1.00 0.00 N ATOM 617 CA GLN A 825 -8.172 -7.564 4.125 1.00 0.00 C ATOM 618 C GLN A 825 -7.775 -6.106 4.336 1.00 0.00 C ATOM 619 O GLN A 825 -6.594 -5.763 4.299 1.00 0.00 O ATOM 620 CB GLN A 825 -8.667 -7.767 2.690 1.00 0.00 C ATOM 621 CG GLN A 825 -9.000 -9.208 2.333 1.00 0.00 C ATOM 622 CD GLN A 825 -7.862 -10.169 2.619 1.00 0.00 C ATOM 623 OE1 GLN A 825 -6.980 -10.372 1.789 1.00 0.00 O ATOM 624 NE2 GLN A 825 -7.897 -10.795 3.785 1.00 0.00 N ATOM 0 H GLN A 825 -10.074 -8.261 4.671 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.298 -8.195 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.555 -7.154 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -7.904 -7.403 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -9.881 -9.521 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.258 -9.264 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -8.647 -10.598 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -7.174 -11.474 4.021 1.00 0.00 H new ATOM 633 N ALA A 826 -8.770 -5.256 4.571 1.00 0.00 N ATOM 634 CA ALA A 826 -8.526 -3.844 4.838 1.00 0.00 C ATOM 635 C ALA A 826 -7.680 -3.656 6.099 1.00 0.00 C ATOM 636 O ALA A 826 -6.833 -2.766 6.155 1.00 0.00 O ATOM 637 CB ALA A 826 -9.844 -3.094 4.957 1.00 0.00 C ATOM 0 H ALA A 826 -9.755 -5.522 4.582 1.00 0.00 H new ATOM 0 HA ALA A 826 -7.965 -3.432 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.647 -2.041 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.402 -3.189 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.429 -3.515 5.775 1.00 0.00 H new ATOM 643 N ARG A 827 -7.905 -4.505 7.103 1.00 0.00 N ATOM 644 CA ARG A 827 -7.093 -4.489 8.323 1.00 0.00 C ATOM 645 C ARG A 827 -5.626 -4.733 7.985 1.00 0.00 C ATOM 646 O ARG A 827 -4.735 -4.029 8.469 1.00 0.00 O ATOM 647 CB ARG A 827 -7.543 -5.568 9.308 1.00 0.00 C ATOM 648 CG ARG A 827 -8.916 -5.358 9.922 1.00 0.00 C ATOM 649 CD ARG A 827 -9.195 -6.456 10.934 1.00 0.00 C ATOM 650 NE ARG A 827 -10.497 -6.335 11.581 1.00 0.00 N ATOM 651 CZ ARG A 827 -10.865 -7.082 12.621 1.00 0.00 C ATOM 652 NH1 ARG A 827 -9.977 -7.876 13.210 1.00 0.00 N ATOM 653 NH2 ARG A 827 -12.098 -6.997 13.100 1.00 0.00 N ATOM 0 H ARG A 827 -8.641 -5.211 7.097 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.220 -3.508 8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.536 -6.530 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.810 -5.631 10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -8.964 -4.383 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.679 -5.365 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -9.135 -7.423 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -8.417 -6.442 11.697 1.00 0.00 H new ATOM 0 HE ARG A 827 -11.157 -5.646 11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -9.018 -7.912 12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.255 -8.449 14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -12.768 -6.358 12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -12.376 -7.570 13.896 1.00 0.00 H new ATOM 667 N ILE A 828 -5.394 -5.744 7.154 1.00 0.00 N ATOM 668 CA ILE A 828 -4.048 -6.113 6.737 1.00 0.00 C ATOM 669 C ILE A 828 -3.379 -4.950 6.011 1.00 0.00 C ATOM 670 O ILE A 828 -2.215 -4.637 6.253 1.00 0.00 O ATOM 671 CB ILE A 828 -4.072 -7.352 5.813 1.00 0.00 C ATOM 672 CG1 ILE A 828 -4.778 -8.519 6.511 1.00 0.00 C ATOM 673 CG2 ILE A 828 -2.655 -7.748 5.412 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.027 -9.707 5.607 1.00 0.00 C ATOM 0 H ILE A 828 -6.129 -6.327 6.753 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.478 -6.357 7.633 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.626 -7.100 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.176 -8.840 7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -5.731 -8.170 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -2.692 -8.622 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.182 -6.921 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.077 -7.984 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.530 -10.493 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.655 -9.402 4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.076 -10.082 5.229 1.00 0.00 H new ATOM 686 N LEU A 829 -4.138 -4.301 5.134 1.00 0.00 N ATOM 687 CA LEU A 829 -3.640 -3.152 4.394 1.00 0.00 C ATOM 688 C LEU A 829 -3.292 -2.007 5.333 1.00 0.00 C ATOM 689 O LEU A 829 -2.249 -1.377 5.188 1.00 0.00 O ATOM 690 CB LEU A 829 -4.672 -2.693 3.369 1.00 0.00 C ATOM 691 CG LEU A 829 -4.950 -3.697 2.252 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.063 -3.193 1.357 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.688 -3.953 1.445 1.00 0.00 C ATOM 0 H LEU A 829 -5.103 -4.554 4.920 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.732 -3.455 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.607 -2.477 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.331 -1.759 2.923 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.268 -4.639 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.250 -3.919 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -6.970 -3.056 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.771 -2.241 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -3.902 -4.670 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.342 -3.018 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.913 -4.354 2.098 1.00 0.00 H new ATOM 705 N ALA A 830 -4.160 -1.754 6.306 1.00 0.00 N ATOM 706 CA ALA A 830 -3.920 -0.706 7.291 1.00 0.00 C ATOM 707 C ALA A 830 -2.598 -0.945 8.016 1.00 0.00 C ATOM 708 O ALA A 830 -1.795 -0.029 8.182 1.00 0.00 O ATOM 709 CB ALA A 830 -5.070 -0.635 8.284 1.00 0.00 C ATOM 0 H ALA A 830 -5.036 -2.260 6.434 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.857 0.249 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.874 0.152 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.996 -0.416 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.165 -1.590 8.800 1.00 0.00 H new ATOM 715 N GLN A 831 -2.371 -2.191 8.423 1.00 0.00 N ATOM 716 CA GLN A 831 -1.128 -2.571 9.086 1.00 0.00 C ATOM 717 C GLN A 831 0.062 -2.408 8.143 1.00 0.00 C ATOM 718 O GLN A 831 1.072 -1.791 8.496 1.00 0.00 O ATOM 719 CB GLN A 831 -1.216 -4.020 9.571 1.00 0.00 C ATOM 720 CG GLN A 831 0.104 -4.577 10.087 1.00 0.00 C ATOM 721 CD GLN A 831 -0.017 -6.007 10.580 1.00 0.00 C ATOM 722 OE1 GLN A 831 -0.859 -6.773 10.110 1.00 0.00 O ATOM 723 NE2 GLN A 831 0.838 -6.380 11.519 1.00 0.00 N ATOM 0 H GLN A 831 -3.034 -2.957 8.304 1.00 0.00 H new ATOM 0 HA GLN A 831 -0.980 -1.913 9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -1.961 -4.083 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.569 -4.647 8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.848 -4.533 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.467 -3.947 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.520 -5.714 11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.815 -7.334 11.880 1.00 0.00 H new ATOM 732 N ALA A 832 -0.077 -2.954 6.942 1.00 0.00 N ATOM 733 CA ALA A 832 0.994 -2.947 5.955 1.00 0.00 C ATOM 734 C ALA A 832 1.364 -1.535 5.528 1.00 0.00 C ATOM 735 O ALA A 832 2.542 -1.173 5.511 1.00 0.00 O ATOM 736 CB ALA A 832 0.588 -3.765 4.747 1.00 0.00 C ATOM 0 H ALA A 832 -0.932 -3.412 6.626 1.00 0.00 H new ATOM 0 HA ALA A 832 1.875 -3.391 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.394 -3.755 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.389 -4.792 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.311 -3.338 4.304 1.00 0.00 H new ATOM 742 N THR A 833 0.358 -0.744 5.182 1.00 0.00 N ATOM 743 CA THR A 833 0.581 0.624 4.746 1.00 0.00 C ATOM 744 C THR A 833 1.264 1.438 5.839 1.00 0.00 C ATOM 745 O THR A 833 2.190 2.199 5.564 1.00 0.00 O ATOM 746 CB THR A 833 -0.739 1.309 4.333 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.266 0.684 3.158 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.530 2.796 4.081 1.00 0.00 C ATOM 0 H THR A 833 -0.621 -1.028 5.195 1.00 0.00 H new ATOM 0 HA THR A 833 1.233 0.582 3.874 1.00 0.00 H new ATOM 0 HB THR A 833 -1.450 1.199 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.919 1.280 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.477 3.253 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 833 -0.161 3.271 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.197 2.931 3.280 1.00 0.00 H new ATOM 756 N SER A 834 0.831 1.247 7.078 1.00 0.00 N ATOM 757 CA SER A 834 1.400 1.988 8.199 1.00 0.00 C ATOM 758 C SER A 834 2.886 1.683 8.334 1.00 0.00 C ATOM 759 O SER A 834 3.705 2.583 8.527 1.00 0.00 O ATOM 760 CB SER A 834 0.663 1.657 9.495 1.00 0.00 C ATOM 761 OG SER A 834 -0.697 2.044 9.412 1.00 0.00 O ATOM 0 H SER A 834 0.093 0.591 7.333 1.00 0.00 H new ATOM 0 HA SER A 834 1.281 3.054 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 834 0.730 0.587 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.141 2.167 10.331 1.00 0.00 H new ATOM 0 HG SER A 834 -1.236 1.282 9.112 1.00 0.00 H new ATOM 767 N ASP A 835 3.229 0.412 8.200 1.00 0.00 N ATOM 768 CA ASP A 835 4.619 -0.015 8.253 1.00 0.00 C ATOM 769 C ASP A 835 5.397 0.540 7.065 1.00 0.00 C ATOM 770 O ASP A 835 6.526 1.011 7.214 1.00 0.00 O ATOM 771 CB ASP A 835 4.699 -1.540 8.280 1.00 0.00 C ATOM 772 CG ASP A 835 6.115 -2.051 8.132 1.00 0.00 C ATOM 773 OD1 ASP A 835 6.892 -1.930 9.098 1.00 0.00 O ATOM 774 OD2 ASP A 835 6.459 -2.567 7.049 1.00 0.00 O ATOM 0 H ASP A 835 2.561 -0.345 8.053 1.00 0.00 H new ATOM 0 HA ASP A 835 5.068 0.375 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.281 -1.905 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 835 4.084 -1.947 7.477 1.00 0.00 H new ATOM 779 N LEU A 836 4.770 0.510 5.892 1.00 0.00 N ATOM 780 CA LEU A 836 5.399 1.011 4.676 1.00 0.00 C ATOM 781 C LEU A 836 5.694 2.502 4.804 1.00 0.00 C ATOM 782 O LEU A 836 6.791 2.947 4.489 1.00 0.00 O ATOM 783 CB LEU A 836 4.504 0.762 3.456 1.00 0.00 C ATOM 784 CG LEU A 836 5.225 0.243 2.205 1.00 0.00 C ATOM 785 CD1 LEU A 836 4.287 0.233 1.013 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.465 1.066 1.893 1.00 0.00 C ATOM 0 H LEU A 836 3.827 0.144 5.759 1.00 0.00 H new ATOM 0 HA LEU A 836 6.337 0.473 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.732 0.044 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 836 3.997 1.693 3.202 1.00 0.00 H new ATOM 0 HG LEU A 836 5.544 -0.779 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.817 -0.138 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.437 -0.415 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 836 3.932 1.246 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.950 0.670 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 836 6.179 2.103 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.156 1.016 2.734 1.00 0.00 H new ATOM 798 N VAL A 837 4.712 3.265 5.278 1.00 0.00 N ATOM 799 CA VAL A 837 4.877 4.706 5.462 1.00 0.00 C ATOM 800 C VAL A 837 6.084 5.002 6.351 1.00 0.00 C ATOM 801 O VAL A 837 6.888 5.884 6.048 1.00 0.00 O ATOM 802 CB VAL A 837 3.608 5.353 6.067 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.844 6.822 6.392 1.00 0.00 C ATOM 804 CG2 VAL A 837 2.434 5.214 5.111 1.00 0.00 C ATOM 0 H VAL A 837 3.793 2.910 5.542 1.00 0.00 H new ATOM 0 HA VAL A 837 5.043 5.141 4.476 1.00 0.00 H new ATOM 0 HB VAL A 837 3.375 4.830 6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.936 7.251 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.657 6.909 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 837 4.108 7.358 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.550 5.674 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.671 5.710 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 837 2.239 4.158 4.925 1.00 0.00 H new ATOM 814 N ASN A 838 6.216 4.245 7.435 1.00 0.00 N ATOM 815 CA ASN A 838 7.362 4.385 8.332 1.00 0.00 C ATOM 816 C ASN A 838 8.662 4.098 7.593 1.00 0.00 C ATOM 817 O ASN A 838 9.632 4.849 7.705 1.00 0.00 O ATOM 818 CB ASN A 838 7.231 3.444 9.531 1.00 0.00 C ATOM 819 CG ASN A 838 6.351 4.009 10.632 1.00 0.00 C ATOM 820 OD1 ASN A 838 6.835 4.668 11.549 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.056 3.752 10.557 1.00 0.00 N ATOM 0 H ASN A 838 5.546 3.529 7.715 1.00 0.00 H new ATOM 0 HA ASN A 838 7.380 5.414 8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 838 6.819 2.492 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.222 3.238 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.424 4.105 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 838 4.690 3.201 9.781 1.00 0.00 H new ATOM 828 N ALA A 839 8.664 3.016 6.826 1.00 0.00 N ATOM 829 CA ALA A 839 9.830 2.620 6.051 1.00 0.00 C ATOM 830 C ALA A 839 10.183 3.681 5.011 1.00 0.00 C ATOM 831 O ALA A 839 11.353 3.993 4.807 1.00 0.00 O ATOM 832 CB ALA A 839 9.581 1.275 5.385 1.00 0.00 C ATOM 0 H ALA A 839 7.863 2.393 6.724 1.00 0.00 H new ATOM 0 HA ALA A 839 10.678 2.524 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.459 0.987 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.386 0.522 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.719 1.351 4.722 1.00 0.00 H new ATOM 838 N ILE A 840 9.160 4.238 4.367 1.00 0.00 N ATOM 839 CA ILE A 840 9.353 5.298 3.382 1.00 0.00 C ATOM 840 C ILE A 840 9.943 6.543 4.039 1.00 0.00 C ATOM 841 O ILE A 840 10.903 7.123 3.537 1.00 0.00 O ATOM 842 CB ILE A 840 8.028 5.675 2.678 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.467 4.478 1.911 1.00 0.00 C ATOM 844 CG2 ILE A 840 8.241 6.852 1.737 1.00 0.00 C ATOM 845 CD1 ILE A 840 6.139 4.751 1.237 1.00 0.00 C ATOM 0 H ILE A 840 8.186 3.971 4.511 1.00 0.00 H new ATOM 0 HA ILE A 840 10.046 4.914 2.633 1.00 0.00 H new ATOM 0 HB ILE A 840 7.306 5.966 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.191 4.171 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.349 3.641 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.299 7.104 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.597 7.712 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.980 6.585 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 840 5.806 3.855 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.400 5.028 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.254 5.567 0.523 1.00 0.00 H new ATOM 857 N LYS A 841 9.373 6.939 5.173 1.00 0.00 N ATOM 858 CA LYS A 841 9.863 8.102 5.906 1.00 0.00 C ATOM 859 C LYS A 841 11.323 7.917 6.295 1.00 0.00 C ATOM 860 O LYS A 841 12.131 8.838 6.170 1.00 0.00 O ATOM 861 CB LYS A 841 9.027 8.349 7.159 1.00 0.00 C ATOM 862 CG LYS A 841 7.618 8.832 6.866 1.00 0.00 C ATOM 863 CD LYS A 841 6.868 9.174 8.141 1.00 0.00 C ATOM 864 CE LYS A 841 5.469 9.681 7.842 1.00 0.00 C ATOM 865 NZ LYS A 841 4.725 10.023 9.081 1.00 0.00 N ATOM 0 H LYS A 841 8.574 6.474 5.603 1.00 0.00 H new ATOM 0 HA LYS A 841 9.776 8.968 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 841 8.973 7.426 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 841 9.532 9.086 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 841 7.660 9.710 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 841 7.075 8.061 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 841 6.808 8.291 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 841 7.420 9.932 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 841 5.531 10.561 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.919 8.921 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.775 10.365 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 4.643 9.178 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 5.236 10.766 9.599 1.00 0.00 H new ATOM 879 N ALA A 842 11.652 6.721 6.761 1.00 0.00 N ATOM 880 CA ALA A 842 13.011 6.403 7.162 1.00 0.00 C ATOM 881 C ALA A 842 13.947 6.382 5.957 1.00 0.00 C ATOM 882 O ALA A 842 15.088 6.840 6.033 1.00 0.00 O ATOM 883 CB ALA A 842 13.036 5.069 7.889 1.00 0.00 C ATOM 0 H ALA A 842 10.991 5.952 6.870 1.00 0.00 H new ATOM 0 HA ALA A 842 13.364 7.180 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 842 14.058 4.836 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 842 12.404 5.126 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.664 4.287 7.227 1.00 0.00 H new ATOM 889 N ASP A 843 13.448 5.870 4.838 1.00 0.00 N ATOM 890 CA ASP A 843 14.230 5.800 3.611 1.00 0.00 C ATOM 891 C ASP A 843 14.435 7.195 3.034 1.00 0.00 C ATOM 892 O ASP A 843 15.469 7.486 2.435 1.00 0.00 O ATOM 893 CB ASP A 843 13.540 4.891 2.594 1.00 0.00 C ATOM 894 CG ASP A 843 14.276 4.819 1.276 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.385 4.251 1.245 1.00 0.00 O ATOM 896 OD2 ASP A 843 13.755 5.337 0.264 1.00 0.00 O ATOM 0 H ASP A 843 12.502 5.496 4.756 1.00 0.00 H new ATOM 0 HA ASP A 843 15.208 5.377 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 843 13.453 3.888 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.527 5.253 2.419 1.00 0.00 H new ATOM 901 N ALA A 844 13.444 8.059 3.236 1.00 0.00 N ATOM 902 CA ALA A 844 13.537 9.453 2.822 1.00 0.00 C ATOM 903 C ALA A 844 14.627 10.177 3.604 1.00 0.00 C ATOM 904 O ALA A 844 15.308 11.056 3.076 1.00 0.00 O ATOM 905 CB ALA A 844 12.196 10.151 3.001 1.00 0.00 C ATOM 0 H ALA A 844 12.562 7.814 3.687 1.00 0.00 H new ATOM 0 HA ALA A 844 13.802 9.480 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 844 12.283 11.191 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.441 9.651 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.902 10.112 4.050 1.00 0.00 H new ATOM 911 N GLU A 845 14.793 9.801 4.868 1.00 0.00 N ATOM 912 CA GLU A 845 15.846 10.370 5.700 1.00 0.00 C ATOM 913 C GLU A 845 17.211 9.882 5.231 1.00 0.00 C ATOM 914 O GLU A 845 18.200 10.612 5.283 1.00 0.00 O ATOM 915 CB GLU A 845 15.641 9.996 7.171 1.00 0.00 C ATOM 916 CG GLU A 845 14.348 10.528 7.769 1.00 0.00 C ATOM 917 CD GLU A 845 14.234 12.036 7.664 1.00 0.00 C ATOM 918 OE1 GLU A 845 14.996 12.746 8.350 1.00 0.00 O ATOM 919 OE2 GLU A 845 13.370 12.518 6.901 1.00 0.00 O ATOM 0 H GLU A 845 14.213 9.106 5.338 1.00 0.00 H new ATOM 0 HA GLU A 845 15.801 11.455 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 845 15.653 8.910 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 845 16.481 10.375 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 845 13.501 10.067 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 845 14.289 10.235 8.817 1.00 0.00 H new ATOM 926 N GLY A 846 17.248 8.643 4.752 1.00 0.00 N ATOM 927 CA GLY A 846 18.488 8.062 4.274 1.00 0.00 C ATOM 928 C GLY A 846 18.687 8.262 2.784 1.00 0.00 C ATOM 929 O GLY A 846 19.583 7.663 2.184 1.00 0.00 O ATOM 0 H GLY A 846 16.437 8.028 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 846 19.325 8.507 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 846 18.496 6.995 4.498 1.00 0.00 H new ATOM 933 N GLU A 847 17.845 9.089 2.179 1.00 0.00 N ATOM 934 CA GLU A 847 17.970 9.409 0.767 1.00 0.00 C ATOM 935 C GLU A 847 18.889 10.614 0.589 1.00 0.00 C ATOM 936 O GLU A 847 18.877 11.540 1.403 1.00 0.00 O ATOM 937 CB GLU A 847 16.589 9.681 0.159 1.00 0.00 C ATOM 938 CG GLU A 847 16.613 9.931 -1.342 1.00 0.00 C ATOM 939 CD GLU A 847 17.308 8.823 -2.106 1.00 0.00 C ATOM 940 OE1 GLU A 847 16.641 7.839 -2.479 1.00 0.00 O ATOM 941 OE2 GLU A 847 18.534 8.930 -2.335 1.00 0.00 O ATOM 0 H GLU A 847 17.066 9.551 2.648 1.00 0.00 H new ATOM 0 HA GLU A 847 18.408 8.558 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 847 15.939 8.831 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 847 16.149 10.547 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 847 15.591 10.032 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.118 10.876 -1.541 1.00 0.00 H new ATOM 948 N SER A 848 19.687 10.591 -0.467 1.00 0.00 N ATOM 949 CA SER A 848 20.655 11.647 -0.721 1.00 0.00 C ATOM 950 C SER A 848 19.976 12.873 -1.326 1.00 0.00 C ATOM 951 O SER A 848 20.421 14.005 -1.128 1.00 0.00 O ATOM 952 CB SER A 848 21.740 11.134 -1.666 1.00 0.00 C ATOM 953 OG SER A 848 22.240 9.878 -1.233 1.00 0.00 O ATOM 0 H SER A 848 19.683 9.848 -1.166 1.00 0.00 H new ATOM 0 HA SER A 848 21.106 11.939 0.227 1.00 0.00 H new ATOM 0 HB2 SER A 848 21.335 11.040 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.555 11.856 -1.716 1.00 0.00 H new ATOM 0 HG SER A 848 22.932 9.569 -1.855 1.00 0.00 H new ATOM 959 N ASP A 849 18.890 12.643 -2.053 1.00 0.00 N ATOM 960 CA ASP A 849 18.177 13.723 -2.723 1.00 0.00 C ATOM 961 C ASP A 849 17.092 14.274 -1.817 1.00 0.00 C ATOM 962 O ASP A 849 16.069 13.630 -1.614 1.00 0.00 O ATOM 963 CB ASP A 849 17.547 13.239 -4.031 1.00 0.00 C ATOM 964 CG ASP A 849 18.563 12.807 -5.065 1.00 0.00 C ATOM 965 OD1 ASP A 849 19.199 13.684 -5.685 1.00 0.00 O ATOM 966 OD2 ASP A 849 18.722 11.587 -5.276 1.00 0.00 O ATOM 0 H ASP A 849 18.484 11.718 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 849 18.898 14.508 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 849 16.880 12.404 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 849 16.933 14.038 -4.447 1.00 0.00 H new ATOM 971 N LEU A 850 17.317 15.468 -1.287 1.00 0.00 N ATOM 972 CA LEU A 850 16.384 16.087 -0.349 1.00 0.00 C ATOM 973 C LEU A 850 15.027 16.322 -1.015 1.00 0.00 C ATOM 974 O LEU A 850 13.980 16.073 -0.413 1.00 0.00 O ATOM 975 CB LEU A 850 16.977 17.405 0.175 1.00 0.00 C ATOM 976 CG LEU A 850 16.325 18.001 1.435 1.00 0.00 C ATOM 977 CD1 LEU A 850 15.017 18.705 1.105 1.00 0.00 C ATOM 978 CD2 LEU A 850 16.099 16.920 2.481 1.00 0.00 C ATOM 0 H LEU A 850 18.142 16.032 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 850 16.227 15.415 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 850 18.035 17.244 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 850 16.918 18.146 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 850 17.009 18.745 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.584 19.114 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 850 15.207 19.514 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.322 17.992 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 850 15.637 17.360 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 850 15.443 16.151 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.055 16.473 2.755 1.00 0.00 H new ATOM 990 N GLU A 851 15.049 16.788 -2.258 1.00 0.00 N ATOM 991 CA GLU A 851 13.817 17.009 -3.009 1.00 0.00 C ATOM 992 C GLU A 851 13.058 15.697 -3.174 1.00 0.00 C ATOM 993 O GLU A 851 11.827 15.661 -3.154 1.00 0.00 O ATOM 994 CB GLU A 851 14.118 17.615 -4.379 1.00 0.00 C ATOM 995 CG GLU A 851 14.887 16.700 -5.317 1.00 0.00 C ATOM 996 CD GLU A 851 14.935 17.237 -6.730 1.00 0.00 C ATOM 997 OE1 GLU A 851 15.845 18.030 -7.042 1.00 0.00 O ATOM 998 OE2 GLU A 851 14.053 16.870 -7.539 1.00 0.00 O ATOM 0 H GLU A 851 15.902 17.020 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 851 13.198 17.710 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 851 13.177 17.894 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 851 14.688 18.533 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 851 15.903 16.572 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.423 15.714 -5.321 1.00 0.00 H new ATOM 1005 N ASN A 852 13.815 14.624 -3.319 1.00 0.00 N ATOM 1006 CA ASN A 852 13.248 13.300 -3.496 1.00 0.00 C ATOM 1007 C ASN A 852 12.758 12.754 -2.163 1.00 0.00 C ATOM 1008 O ASN A 852 11.771 12.023 -2.109 1.00 0.00 O ATOM 1009 CB ASN A 852 14.287 12.365 -4.100 1.00 0.00 C ATOM 1010 CG ASN A 852 13.703 11.017 -4.481 1.00 0.00 C ATOM 1011 OD1 ASN A 852 12.542 10.920 -4.874 1.00 0.00 O ATOM 1012 ND2 ASN A 852 14.504 9.970 -4.362 1.00 0.00 N ATOM 0 H ASN A 852 14.835 14.646 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 852 12.399 13.368 -4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 852 14.722 12.832 -4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.097 12.218 -3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 852 14.164 9.038 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 852 15.461 10.095 -4.032 1.00 0.00 H new ATOM 1019 N SER A 853 13.443 13.122 -1.087 1.00 0.00 N ATOM 1020 CA SER A 853 13.009 12.760 0.253 1.00 0.00 C ATOM 1021 C SER A 853 11.589 13.264 0.493 1.00 0.00 C ATOM 1022 O SER A 853 10.749 12.561 1.052 1.00 0.00 O ATOM 1023 CB SER A 853 13.955 13.352 1.298 1.00 0.00 C ATOM 1024 OG SER A 853 15.288 12.930 1.077 1.00 0.00 O ATOM 0 H SER A 853 14.302 13.671 -1.118 1.00 0.00 H new ATOM 0 HA SER A 853 13.024 11.674 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.905 14.440 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.635 13.050 2.295 1.00 0.00 H new ATOM 0 HG SER A 853 15.535 12.260 1.748 1.00 0.00 H new ATOM 1030 N ARG A 854 11.329 14.485 0.036 1.00 0.00 N ATOM 1031 CA ARG A 854 10.008 15.088 0.155 1.00 0.00 C ATOM 1032 C ARG A 854 9.013 14.362 -0.744 1.00 0.00 C ATOM 1033 O ARG A 854 7.842 14.225 -0.402 1.00 0.00 O ATOM 1034 CB ARG A 854 10.071 16.574 -0.209 1.00 0.00 C ATOM 1035 CG ARG A 854 11.096 17.344 0.602 1.00 0.00 C ATOM 1036 CD ARG A 854 11.202 18.791 0.152 1.00 0.00 C ATOM 1037 NE ARG A 854 10.014 19.570 0.495 1.00 0.00 N ATOM 1038 CZ ARG A 854 10.062 20.727 1.153 1.00 0.00 C ATOM 1039 NH1 ARG A 854 11.231 21.208 1.562 1.00 0.00 N ATOM 1040 NH2 ARG A 854 8.950 21.403 1.407 1.00 0.00 N ATOM 0 H ARG A 854 12.021 15.078 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 854 9.672 14.997 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.307 16.672 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 854 9.088 17.020 -0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.824 17.311 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 854 12.069 16.862 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 854 12.078 19.248 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 854 11.355 18.823 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 854 9.102 19.209 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 854 12.090 20.691 1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 854 11.270 22.094 2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 854 8.049 21.038 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 854 8.995 22.288 1.912 1.00 0.00 H new ATOM 1054 N LYS A 855 9.497 13.879 -1.883 1.00 0.00 N ATOM 1055 CA LYS A 855 8.668 13.116 -2.809 1.00 0.00 C ATOM 1056 C LYS A 855 8.254 11.795 -2.172 1.00 0.00 C ATOM 1057 O LYS A 855 7.095 11.388 -2.261 1.00 0.00 O ATOM 1058 CB LYS A 855 9.422 12.859 -4.116 1.00 0.00 C ATOM 1059 CG LYS A 855 8.626 12.060 -5.136 1.00 0.00 C ATOM 1060 CD LYS A 855 9.423 11.823 -6.409 1.00 0.00 C ATOM 1061 CE LYS A 855 9.812 13.131 -7.076 1.00 0.00 C ATOM 1062 NZ LYS A 855 10.534 12.910 -8.356 1.00 0.00 N ATOM 0 H LYS A 855 10.462 14.003 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 855 7.773 13.696 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 855 9.703 13.815 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.347 12.327 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.338 11.102 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 855 7.705 12.591 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 855 10.321 11.252 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 855 8.834 11.222 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 855 8.916 13.723 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 855 10.441 13.710 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 10.781 13.828 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 11.402 12.367 -8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 9.924 12.380 -9.011 1.00 0.00 H new ATOM 1076 N LEU A 856 9.207 11.140 -1.521 1.00 0.00 N ATOM 1077 CA LEU A 856 8.935 9.912 -0.787 1.00 0.00 C ATOM 1078 C LEU A 856 7.913 10.170 0.316 1.00 0.00 C ATOM 1079 O LEU A 856 6.944 9.426 0.465 1.00 0.00 O ATOM 1080 CB LEU A 856 10.231 9.350 -0.194 1.00 0.00 C ATOM 1081 CG LEU A 856 11.262 8.875 -1.221 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.575 8.521 -0.536 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.729 7.678 -1.993 1.00 0.00 C ATOM 0 H LEU A 856 10.181 11.442 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 856 8.522 9.177 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.689 10.117 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 856 9.981 8.515 0.460 1.00 0.00 H new ATOM 0 HG LEU A 856 11.447 9.688 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.296 8.185 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 856 12.966 9.400 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.404 7.724 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.474 7.352 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.517 6.863 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.814 7.959 -2.514 1.00 0.00 H new ATOM 1095 N LEU A 857 8.125 11.242 1.075 1.00 0.00 N ATOM 1096 CA LEU A 857 7.191 11.638 2.126 1.00 0.00 C ATOM 1097 C LEU A 857 5.804 11.899 1.548 1.00 0.00 C ATOM 1098 O LEU A 857 4.787 11.548 2.153 1.00 0.00 O ATOM 1099 CB LEU A 857 7.697 12.889 2.849 1.00 0.00 C ATOM 1100 CG LEU A 857 9.018 12.713 3.599 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.459 14.028 4.220 1.00 0.00 C ATOM 1102 CD2 LEU A 857 8.878 11.637 4.664 1.00 0.00 C ATOM 0 H LEU A 857 8.936 11.853 0.982 1.00 0.00 H new ATOM 0 HA LEU A 857 7.122 10.819 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 857 7.815 13.689 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 857 6.935 13.214 3.557 1.00 0.00 H new ATOM 0 HG LEU A 857 9.783 12.400 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.401 13.883 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.595 14.773 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.698 14.373 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.825 11.521 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 857 8.101 11.925 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.607 10.692 4.193 1.00 0.00 H new ATOM 1114 N SER A 858 5.776 12.513 0.374 1.00 0.00 N ATOM 1115 CA SER A 858 4.529 12.782 -0.326 1.00 0.00 C ATOM 1116 C SER A 858 3.856 11.471 -0.723 1.00 0.00 C ATOM 1117 O SER A 858 2.665 11.273 -0.476 1.00 0.00 O ATOM 1118 CB SER A 858 4.795 13.637 -1.568 1.00 0.00 C ATOM 1119 OG SER A 858 3.588 14.052 -2.182 1.00 0.00 O ATOM 0 H SER A 858 6.610 12.836 -0.117 1.00 0.00 H new ATOM 0 HA SER A 858 3.863 13.330 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.382 14.512 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 858 5.390 13.068 -2.282 1.00 0.00 H new ATOM 0 HG SER A 858 3.793 14.597 -2.970 1.00 0.00 H new ATOM 1125 N ALA A 859 4.635 10.571 -1.318 1.00 0.00 N ATOM 1126 CA ALA A 859 4.136 9.268 -1.738 1.00 0.00 C ATOM 1127 C ALA A 859 3.583 8.489 -0.551 1.00 0.00 C ATOM 1128 O ALA A 859 2.527 7.862 -0.647 1.00 0.00 O ATOM 1129 CB ALA A 859 5.238 8.476 -2.426 1.00 0.00 C ATOM 0 H ALA A 859 5.623 10.724 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 859 3.324 9.427 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 859 4.850 7.505 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.586 9.023 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.069 8.332 -1.735 1.00 0.00 H new ATOM 1135 N ALA A 860 4.298 8.543 0.569 1.00 0.00 N ATOM 1136 CA ALA A 860 3.862 7.890 1.796 1.00 0.00 C ATOM 1137 C ALA A 860 2.519 8.448 2.258 1.00 0.00 C ATOM 1138 O ALA A 860 1.643 7.701 2.694 1.00 0.00 O ATOM 1139 CB ALA A 860 4.910 8.057 2.888 1.00 0.00 C ATOM 0 H ALA A 860 5.187 9.036 0.650 1.00 0.00 H new ATOM 0 HA ALA A 860 3.738 6.827 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.569 7.564 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.849 7.609 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 860 5.063 9.118 3.086 1.00 0.00 H new ATOM 1145 N LYS A 861 2.363 9.764 2.147 1.00 0.00 N ATOM 1146 CA LYS A 861 1.119 10.421 2.524 1.00 0.00 C ATOM 1147 C LYS A 861 -0.021 9.979 1.609 1.00 0.00 C ATOM 1148 O LYS A 861 -1.068 9.535 2.077 1.00 0.00 O ATOM 1149 CB LYS A 861 1.273 11.942 2.458 1.00 0.00 C ATOM 1150 CG LYS A 861 0.017 12.690 2.876 1.00 0.00 C ATOM 1151 CD LYS A 861 0.154 14.190 2.683 1.00 0.00 C ATOM 1152 CE LYS A 861 0.296 14.561 1.216 1.00 0.00 C ATOM 1153 NZ LYS A 861 0.207 16.028 1.011 1.00 0.00 N ATOM 0 H LYS A 861 3.084 10.396 1.799 1.00 0.00 H new ATOM 0 HA LYS A 861 0.882 10.133 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.099 12.245 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.538 12.230 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 861 -0.831 12.326 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 861 -0.199 12.478 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 861 -0.719 14.691 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 861 1.023 14.549 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 861 1.252 14.198 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -0.483 14.065 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 0.308 16.244 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -0.716 16.370 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 0.966 16.500 1.543 1.00 0.00 H new ATOM 1167 N ILE A 862 0.207 10.095 0.303 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.782 9.699 -0.697 1.00 0.00 C ATOM 1169 C ILE A 862 -1.190 8.244 -0.493 1.00 0.00 C ATOM 1170 O ILE A 862 -2.369 7.900 -0.579 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.230 9.889 -2.129 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.090 11.367 -2.377 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.218 9.369 -3.167 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.810 11.626 -3.684 1.00 0.00 C ATOM 0 H ILE A 862 1.074 10.462 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.656 10.338 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 862 0.689 9.311 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.839 11.937 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.702 11.739 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.806 9.514 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.397 8.307 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.158 9.914 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 862 1.002 12.694 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.756 11.085 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 862 0.191 11.286 -4.514 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.207 7.403 -0.212 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.452 6.005 0.097 1.00 0.00 C ATOM 1188 C LEU A 863 -1.345 5.869 1.326 1.00 0.00 C ATOM 1189 O LEU A 863 -2.414 5.253 1.263 1.00 0.00 O ATOM 1190 CB LEU A 863 0.876 5.275 0.319 1.00 0.00 C ATOM 1191 CG LEU A 863 0.781 3.949 1.076 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.265 3.045 0.448 1.00 0.00 C ATOM 1193 CD2 LEU A 863 2.135 3.261 1.119 1.00 0.00 C ATOM 0 H LEU A 863 0.777 7.669 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 863 -0.968 5.550 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.334 5.087 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.548 5.937 0.865 1.00 0.00 H new ATOM 0 HG LEU A 863 0.473 4.160 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.316 2.108 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.237 3.538 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 863 0.006 2.840 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 863 2.048 2.320 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.475 3.064 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.855 3.905 1.624 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.908 6.454 2.434 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.633 6.355 3.694 1.00 0.00 C ATOM 1207 C ALA A 864 -3.063 6.861 3.553 1.00 0.00 C ATOM 1208 O ALA A 864 -3.969 6.399 4.246 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.899 7.122 4.782 1.00 0.00 C ATOM 0 H ALA A 864 -0.051 7.005 2.485 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.682 5.303 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.450 7.041 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.100 6.705 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.820 8.171 4.497 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.267 7.801 2.641 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.592 8.354 2.425 1.00 0.00 C ATOM 1217 C ASP A 865 -5.424 7.479 1.517 1.00 0.00 C ATOM 1218 O ASP A 865 -6.589 7.210 1.810 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.519 9.777 1.871 1.00 0.00 C ATOM 1220 CG ASP A 865 -4.126 10.787 2.927 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -4.719 10.757 4.028 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -3.231 11.619 2.670 1.00 0.00 O ATOM 0 H ASP A 865 -2.538 8.192 2.045 1.00 0.00 H new ATOM 0 HA ASP A 865 -5.081 8.389 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -3.798 9.810 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -5.487 10.051 1.452 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.833 7.025 0.427 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.515 6.107 -0.468 1.00 0.00 C ATOM 1229 C ALA A 866 -5.937 4.856 0.296 1.00 0.00 C ATOM 1230 O ALA A 866 -6.962 4.243 -0.004 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.618 5.753 -1.641 1.00 0.00 C ATOM 0 H ALA A 866 -3.887 7.275 0.141 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.410 6.588 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -5.141 5.064 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.361 6.660 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.707 5.281 -1.273 1.00 0.00 H new ATOM 1237 N THR A 867 -5.150 4.505 1.310 1.00 0.00 N ATOM 1238 CA THR A 867 -5.465 3.374 2.160 1.00 0.00 C ATOM 1239 C THR A 867 -6.713 3.651 2.990 1.00 0.00 C ATOM 1240 O THR A 867 -7.667 2.876 2.962 1.00 0.00 O ATOM 1241 CB THR A 867 -4.298 3.022 3.103 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.089 2.855 2.355 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.594 1.742 3.867 1.00 0.00 C ATOM 0 H THR A 867 -4.289 4.992 1.558 1.00 0.00 H new ATOM 0 HA THR A 867 -5.645 2.525 1.500 1.00 0.00 H new ATOM 0 HB THR A 867 -4.178 3.841 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.789 3.726 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.758 1.511 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.499 1.873 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.737 0.923 3.163 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.713 4.778 3.698 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.825 5.142 4.567 1.00 0.00 C ATOM 1253 C ALA A 868 -9.133 5.180 3.787 1.00 0.00 C ATOM 1254 O ALA A 868 -10.176 4.758 4.285 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.562 6.486 5.231 1.00 0.00 C ATOM 0 H ALA A 868 -5.951 5.456 3.685 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.914 4.382 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.402 6.743 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.651 6.425 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.444 7.253 4.466 1.00 0.00 H new ATOM 1261 N LYS A 869 -9.061 5.658 2.552 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.231 5.726 1.693 1.00 0.00 C ATOM 1263 C LYS A 869 -10.775 4.334 1.394 1.00 0.00 C ATOM 1264 O LYS A 869 -11.960 4.069 1.589 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.896 6.441 0.382 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.421 7.871 0.571 1.00 0.00 C ATOM 1267 CD LYS A 869 -9.258 8.585 -0.760 1.00 0.00 C ATOM 1268 CE LYS A 869 -10.589 8.721 -1.480 1.00 0.00 C ATOM 1269 NZ LYS A 869 -10.445 9.408 -2.789 1.00 0.00 N ATOM 0 H LYS A 869 -8.202 6.004 2.124 1.00 0.00 H new ATOM 0 HA LYS A 869 -10.997 6.292 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -9.124 5.877 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.779 6.442 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -10.135 8.413 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -8.470 7.872 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -8.829 9.573 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -8.557 8.034 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -11.020 7.732 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -11.285 9.278 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -11.376 9.480 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -10.058 10.362 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -9.801 8.864 -3.398 1.00 0.00 H new ATOM 1283 N MET A 870 -9.908 3.436 0.937 1.00 0.00 N ATOM 1284 CA MET A 870 -10.359 2.115 0.519 1.00 0.00 C ATOM 1285 C MET A 870 -10.742 1.257 1.717 1.00 0.00 C ATOM 1286 O MET A 870 -11.622 0.409 1.612 1.00 0.00 O ATOM 1287 CB MET A 870 -9.307 1.391 -0.325 1.00 0.00 C ATOM 1288 CG MET A 870 -8.204 0.717 0.473 1.00 0.00 C ATOM 1289 SD MET A 870 -7.513 -0.694 -0.393 1.00 0.00 S ATOM 1290 CE MET A 870 -8.914 -1.799 -0.328 1.00 0.00 C ATOM 0 H MET A 870 -8.905 3.595 0.848 1.00 0.00 H new ATOM 0 HA MET A 870 -11.243 2.269 -0.100 1.00 0.00 H new ATOM 0 HB2 MET A 870 -9.806 0.639 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 870 -8.854 2.108 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.413 1.438 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.599 0.393 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 870 -9.039 -2.286 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.746 -2.555 0.439 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.814 -1.232 -0.088 1.00 0.00 H new ATOM 1300 N VAL A 871 -10.090 1.477 2.849 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.391 0.720 4.058 1.00 0.00 C ATOM 1302 C VAL A 871 -11.809 1.016 4.537 1.00 0.00 C ATOM 1303 O VAL A 871 -12.562 0.103 4.881 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.376 1.015 5.186 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -9.829 0.411 6.506 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -8.004 0.473 4.813 1.00 0.00 C ATOM 0 H VAL A 871 -9.351 2.171 2.957 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.313 -0.338 3.807 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.316 2.096 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.095 0.635 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -10.793 0.834 6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -9.924 -0.669 6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.298 0.687 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.067 -0.605 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.663 0.948 3.893 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.179 2.290 4.531 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.517 2.687 4.940 1.00 0.00 C ATOM 1318 C GLU A 872 -14.542 2.281 3.889 1.00 0.00 C ATOM 1319 O GLU A 872 -15.674 1.920 4.217 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.578 4.192 5.187 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.656 4.652 6.301 1.00 0.00 C ATOM 1322 CD GLU A 872 -12.917 3.930 7.605 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -13.827 4.354 8.350 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -12.210 2.940 7.896 1.00 0.00 O ATOM 0 H GLU A 872 -11.574 3.061 4.249 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.755 2.173 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.316 4.716 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.602 4.472 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.621 4.491 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.781 5.724 6.452 1.00 0.00 H new ATOM 1331 N ALA A 873 -14.145 2.337 2.624 1.00 0.00 N ATOM 1332 CA ALA A 873 -15.012 1.891 1.545 1.00 0.00 C ATOM 1333 C ALA A 873 -15.248 0.390 1.652 1.00 0.00 C ATOM 1334 O ALA A 873 -16.368 -0.086 1.473 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.416 2.251 0.192 1.00 0.00 C ATOM 0 H ALA A 873 -13.235 2.685 2.323 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.972 2.400 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -15.081 1.908 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.296 3.332 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.444 1.771 0.083 1.00 0.00 H new ATOM 1341 N ALA A 874 -14.183 -0.343 1.972 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.264 -1.782 2.177 1.00 0.00 C ATOM 1343 C ALA A 874 -15.182 -2.104 3.345 1.00 0.00 C ATOM 1344 O ALA A 874 -16.012 -3.000 3.249 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.879 -2.369 2.413 1.00 0.00 C ATOM 0 H ALA A 874 -13.247 0.044 2.095 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.680 -2.232 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.961 -3.445 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.248 -2.171 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.436 -1.911 3.297 1.00 0.00 H new ATOM 1351 N LYS A 875 -15.032 -1.362 4.443 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.905 -1.529 5.603 1.00 0.00 C ATOM 1353 C LYS A 875 -17.370 -1.466 5.192 1.00 0.00 C ATOM 1354 O LYS A 875 -18.153 -2.360 5.505 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.648 -0.447 6.657 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.392 -0.641 7.491 1.00 0.00 C ATOM 1357 CD LYS A 875 -14.324 0.409 8.589 1.00 0.00 C ATOM 1358 CE LYS A 875 -13.156 0.190 9.537 1.00 0.00 C ATOM 1359 NZ LYS A 875 -11.855 0.464 8.883 1.00 0.00 N ATOM 0 H LYS A 875 -14.317 -0.643 4.552 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.682 -2.507 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.586 0.519 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.507 -0.404 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.389 -1.638 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.510 -0.570 6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -14.239 1.397 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -15.255 0.397 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -13.268 0.837 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -13.171 -0.838 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -11.124 0.604 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -11.594 -0.341 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -11.933 1.322 8.301 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.730 -0.402 4.487 1.00 0.00 N ATOM 1374 CA GLY A 876 -19.110 -0.212 4.091 1.00 0.00 C ATOM 1375 C GLY A 876 -19.575 -1.220 3.060 1.00 0.00 C ATOM 1376 O GLY A 876 -20.683 -1.737 3.162 1.00 0.00 O ATOM 0 H GLY A 876 -17.091 0.332 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.748 -0.282 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -19.231 0.794 3.688 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.726 -1.514 2.080 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.093 -2.415 0.995 1.00 0.00 C ATOM 1382 C ALA A 877 -19.209 -3.847 1.490 1.00 0.00 C ATOM 1383 O ALA A 877 -19.994 -4.640 0.969 1.00 0.00 O ATOM 1384 CB ALA A 877 -18.072 -2.329 -0.129 1.00 0.00 C ATOM 0 H ALA A 877 -17.779 -1.141 2.016 1.00 0.00 H new ATOM 0 HA ALA A 877 -20.067 -2.107 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.358 -3.007 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -18.036 -1.309 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.089 -2.610 0.250 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.416 -4.174 2.493 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.427 -5.505 3.063 1.00 0.00 C ATOM 1392 C ALA A 878 -19.525 -5.646 4.105 1.00 0.00 C ATOM 1393 O ALA A 878 -20.497 -6.368 3.893 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.078 -5.817 3.680 1.00 0.00 C ATOM 0 H ALA A 878 -17.754 -3.532 2.930 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.628 -6.216 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.096 -6.820 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.306 -5.762 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -16.861 -5.093 4.465 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.370 -4.934 5.218 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.267 -5.074 6.363 1.00 0.00 C ATOM 1402 C ALA A 879 -21.711 -4.791 5.978 1.00 0.00 C ATOM 1403 O ALA A 879 -22.638 -5.378 6.536 1.00 0.00 O ATOM 1404 CB ALA A 879 -19.824 -4.157 7.489 1.00 0.00 C ATOM 0 H ALA A 879 -18.626 -4.249 5.352 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.216 -6.107 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -20.500 -4.270 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -18.811 -4.419 7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.843 -3.123 7.145 1.00 0.00 H new ATOM 1410 N HIS A 880 -21.899 -3.863 5.052 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.212 -3.607 4.479 1.00 0.00 C ATOM 1412 C HIS A 880 -23.250 -4.134 3.046 1.00 0.00 C ATOM 1413 O HIS A 880 -23.040 -3.384 2.095 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.548 -2.111 4.527 1.00 0.00 C ATOM 1415 CG HIS A 880 -23.699 -1.577 5.921 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -24.844 -0.963 6.372 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -22.841 -1.569 6.968 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -24.688 -0.606 7.631 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -23.479 -0.964 8.020 1.00 0.00 N ATOM 0 H HIS A 880 -21.155 -3.272 4.680 1.00 0.00 H new ATOM 0 HA HIS A 880 -23.967 -4.128 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.763 -1.554 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.473 -1.936 3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -21.837 -1.967 6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -25.425 -0.105 8.241 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -23.085 -0.815 8.949 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.508 -5.442 2.879 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.387 -6.119 1.582 1.00 0.00 C ATOM 1429 C PRO A 881 -24.473 -5.694 0.596 1.00 0.00 C ATOM 1430 O PRO A 881 -24.285 -5.744 -0.624 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.543 -7.608 1.924 1.00 0.00 C ATOM 1432 CG PRO A 881 -23.495 -7.697 3.413 1.00 0.00 C ATOM 1433 CD PRO A 881 -23.947 -6.366 3.930 1.00 0.00 C ATOM 0 HA PRO A 881 -22.442 -5.876 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -24.485 -8.000 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.745 -8.197 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -24.143 -8.495 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.486 -7.925 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -25.027 -6.333 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.492 -6.130 4.892 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.612 -5.281 1.134 1.00 0.00 N ATOM 1442 CA ASP A 882 -26.759 -4.885 0.323 1.00 0.00 C ATOM 1443 C ASP A 882 -26.530 -3.521 -0.322 1.00 0.00 C ATOM 1444 O ASP A 882 -27.091 -3.217 -1.376 1.00 0.00 O ATOM 1445 CB ASP A 882 -28.027 -4.861 1.186 1.00 0.00 C ATOM 1446 CG ASP A 882 -29.249 -4.338 0.455 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -29.480 -3.112 0.475 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -29.963 -5.145 -0.175 1.00 0.00 O ATOM 0 H ASP A 882 -25.769 -5.210 2.139 1.00 0.00 H new ATOM 0 HA ASP A 882 -26.884 -5.617 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -28.232 -5.870 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -27.847 -4.242 2.065 1.00 0.00 H new ATOM 1453 N SER A 883 -25.690 -2.714 0.305 1.00 0.00 N ATOM 1454 CA SER A 883 -25.404 -1.374 -0.180 1.00 0.00 C ATOM 1455 C SER A 883 -24.534 -1.425 -1.434 1.00 0.00 C ATOM 1456 O SER A 883 -23.438 -1.983 -1.418 1.00 0.00 O ATOM 1457 CB SER A 883 -24.720 -0.577 0.924 1.00 0.00 C ATOM 1458 OG SER A 883 -25.528 -0.552 2.088 1.00 0.00 O ATOM 0 H SER A 883 -25.191 -2.967 1.158 1.00 0.00 H new ATOM 0 HA SER A 883 -26.339 -0.882 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.752 -1.021 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 883 -24.531 0.441 0.583 1.00 0.00 H new ATOM 0 HG SER A 883 -25.076 -0.038 2.789 1.00 0.00 H new ATOM 1464 N GLU A 884 -25.026 -0.835 -2.518 1.00 0.00 N ATOM 1465 CA GLU A 884 -24.341 -0.896 -3.801 1.00 0.00 C ATOM 1466 C GLU A 884 -23.433 0.310 -4.010 1.00 0.00 C ATOM 1467 O GLU A 884 -22.401 0.208 -4.675 1.00 0.00 O ATOM 1468 CB GLU A 884 -25.350 -0.978 -4.944 1.00 0.00 C ATOM 1469 CG GLU A 884 -26.315 -2.143 -4.828 1.00 0.00 C ATOM 1470 CD GLU A 884 -27.071 -2.390 -6.114 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -28.000 -1.618 -6.427 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -26.728 -3.353 -6.828 1.00 0.00 O ATOM 0 H GLU A 884 -25.899 -0.308 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 884 -23.724 -1.794 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -25.919 -0.049 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.810 -1.058 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -25.764 -3.043 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -27.024 -1.946 -4.024 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.813 1.449 -3.435 1.00 0.00 N ATOM 1480 CA GLU A 885 -23.015 2.667 -3.562 1.00 0.00 C ATOM 1481 C GLU A 885 -21.634 2.435 -2.966 1.00 0.00 C ATOM 1482 O GLU A 885 -20.619 2.858 -3.524 1.00 0.00 O ATOM 1483 CB GLU A 885 -23.701 3.836 -2.852 1.00 0.00 C ATOM 1484 CG GLU A 885 -25.112 4.111 -3.347 1.00 0.00 C ATOM 1485 CD GLU A 885 -25.822 5.149 -2.506 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -25.666 6.356 -2.790 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -26.546 4.765 -1.568 1.00 0.00 O ATOM 0 H GLU A 885 -24.662 1.554 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.918 2.916 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -23.735 3.630 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -23.098 4.734 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -25.072 4.450 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -25.685 3.184 -3.337 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.612 1.734 -1.839 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.369 1.373 -1.172 1.00 0.00 C ATOM 1496 C GLN A 886 -19.484 0.526 -2.081 1.00 0.00 C ATOM 1497 O GLN A 886 -18.263 0.688 -2.093 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.668 0.604 0.115 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.375 1.432 1.174 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.516 2.558 1.716 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -21.021 3.607 2.108 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -19.208 2.350 1.748 1.00 0.00 N ATOM 0 H GLN A 886 -22.451 1.402 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 886 -19.836 2.293 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.283 -0.263 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -19.732 0.226 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.288 1.850 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.674 0.782 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -18.824 1.466 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.585 3.074 2.107 1.00 0.00 H new ATOM 1511 N GLN A 887 -20.106 -0.366 -2.849 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.370 -1.254 -3.743 1.00 0.00 C ATOM 1513 C GLN A 887 -18.641 -0.439 -4.807 1.00 0.00 C ATOM 1514 O GLN A 887 -17.461 -0.657 -5.076 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.317 -2.250 -4.424 1.00 0.00 C ATOM 1516 CG GLN A 887 -21.325 -2.903 -3.486 1.00 0.00 C ATOM 1517 CD GLN A 887 -20.688 -3.735 -2.392 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -19.620 -4.320 -2.572 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -21.343 -3.797 -1.245 1.00 0.00 N ATOM 0 H GLN A 887 -21.118 -0.492 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.645 -1.809 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.858 -1.734 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.723 -3.030 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.939 -2.127 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -21.994 -3.536 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -22.226 -3.298 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -20.966 -4.344 -0.471 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.355 0.520 -5.391 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.792 1.367 -6.438 1.00 0.00 C ATOM 1530 C GLN A 888 -17.662 2.232 -5.891 1.00 0.00 C ATOM 1531 O GLN A 888 -16.613 2.370 -6.523 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.877 2.253 -7.051 1.00 0.00 C ATOM 1533 CG GLN A 888 -19.366 3.149 -8.170 1.00 0.00 C ATOM 1534 CD GLN A 888 -18.755 2.362 -9.312 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -19.157 1.231 -9.590 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -17.773 2.951 -9.977 1.00 0.00 N ATOM 0 H GLN A 888 -20.325 0.730 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.386 0.717 -7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.676 1.621 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -20.313 2.874 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -20.189 3.755 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.622 3.837 -7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -17.470 3.889 -9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -17.319 2.467 -10.752 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.878 2.810 -4.714 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.867 3.651 -4.081 1.00 0.00 C ATOM 1547 C ARG A 889 -15.607 2.843 -3.792 1.00 0.00 C ATOM 1548 O ARG A 889 -14.493 3.342 -3.932 1.00 0.00 O ATOM 1549 CB ARG A 889 -17.403 4.262 -2.784 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.625 5.142 -2.983 1.00 0.00 C ATOM 1551 CD ARG A 889 -19.136 5.681 -1.659 1.00 0.00 C ATOM 1552 NE ARG A 889 -20.442 6.326 -1.793 1.00 0.00 N ATOM 1553 CZ ARG A 889 -21.277 6.528 -0.775 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -20.907 6.218 0.463 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -22.472 7.067 -0.989 1.00 0.00 N ATOM 0 H ARG A 889 -18.741 2.712 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.620 4.459 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.654 3.459 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.614 4.851 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -18.375 5.972 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -19.412 4.570 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -19.208 4.865 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.418 6.397 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 889 -20.730 6.639 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -19.982 5.824 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -21.548 6.374 1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -22.752 7.327 -1.935 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -23.110 7.221 -0.208 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.798 1.585 -3.406 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.681 0.696 -3.125 1.00 0.00 C ATOM 1571 C LEU A 890 -13.878 0.425 -4.392 1.00 0.00 C ATOM 1572 O LEU A 890 -12.650 0.389 -4.352 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.177 -0.618 -2.520 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.084 -1.642 -2.201 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.052 -1.054 -1.250 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.699 -2.895 -1.607 1.00 0.00 C ATOM 0 H LEU A 890 -16.717 1.160 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 890 -14.030 1.186 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.722 -0.394 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.888 -1.072 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.577 -1.905 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.286 -1.800 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.590 -0.180 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.540 -0.760 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -13.912 -3.616 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.228 -2.640 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.399 -3.330 -2.321 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.574 0.249 -5.515 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.912 0.018 -6.799 1.00 0.00 C ATOM 1590 C ARG A 891 -12.892 1.114 -7.082 1.00 0.00 C ATOM 1591 O ARG A 891 -11.753 0.838 -7.455 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.932 -0.033 -7.939 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.913 -1.190 -7.846 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.874 -1.196 -9.024 1.00 0.00 C ATOM 1595 NE ARG A 891 -16.179 -1.360 -10.302 1.00 0.00 N ATOM 1596 CZ ARG A 891 -16.582 -0.813 -11.452 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -17.671 -0.054 -11.489 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -15.895 -1.024 -12.567 1.00 0.00 N ATOM 0 H ARG A 891 -15.593 0.262 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.400 -0.943 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.491 0.903 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.398 -0.100 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -15.366 -2.132 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -16.476 -1.118 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.596 -2.003 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -17.438 -0.263 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 891 -15.332 -1.929 -10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -18.205 0.114 -10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -17.974 0.361 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -15.057 -1.605 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -16.205 -0.605 -13.444 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.307 2.355 -6.881 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.450 3.500 -7.140 1.00 0.00 C ATOM 1614 C GLU A 892 -11.397 3.667 -6.049 1.00 0.00 C ATOM 1615 O GLU A 892 -10.224 3.895 -6.340 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.287 4.773 -7.258 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.223 4.769 -8.454 1.00 0.00 C ATOM 1618 CD GLU A 892 -13.478 4.574 -9.756 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -12.907 5.553 -10.269 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -13.475 3.438 -10.281 1.00 0.00 O ATOM 0 H GLU A 892 -14.237 2.595 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 892 -11.933 3.321 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -13.873 4.900 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.620 5.632 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -14.960 3.974 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -14.772 5.710 -8.488 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.817 3.545 -4.799 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.924 3.764 -3.668 1.00 0.00 C ATOM 1629 C ALA A 893 -9.819 2.715 -3.615 1.00 0.00 C ATOM 1630 O ALA A 893 -8.645 3.048 -3.447 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.715 3.773 -2.368 1.00 0.00 C ATOM 0 H ALA A 893 -12.772 3.295 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.448 4.736 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -11.037 3.937 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.455 4.573 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -12.220 2.815 -2.243 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.191 1.451 -3.774 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.233 0.359 -3.671 1.00 0.00 C ATOM 1639 C ALA A 894 -8.245 0.375 -4.828 1.00 0.00 C ATOM 1640 O ALA A 894 -7.052 0.156 -4.633 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.948 -0.976 -3.598 1.00 0.00 C ATOM 0 H ALA A 894 -11.147 1.158 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.668 0.500 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.214 -1.778 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.597 -0.994 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.547 -1.117 -4.497 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.737 0.649 -6.030 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.860 0.748 -7.191 1.00 0.00 C ATOM 1649 C GLU A 895 -6.953 1.966 -7.079 1.00 0.00 C ATOM 1650 O GLU A 895 -5.842 1.969 -7.604 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.664 0.802 -8.487 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.133 -0.562 -8.962 1.00 0.00 C ATOM 1653 CD GLU A 895 -7.979 -1.505 -9.239 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -7.077 -1.139 -10.019 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -7.961 -2.614 -8.665 1.00 0.00 O ATOM 0 H GLU A 895 -9.726 0.805 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.239 -0.147 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.531 1.446 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -8.054 1.260 -9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -9.785 -1.002 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -9.728 -0.444 -9.868 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.431 2.997 -6.388 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.607 4.160 -6.126 1.00 0.00 C ATOM 1664 C GLY A 896 -5.500 3.842 -5.143 1.00 0.00 C ATOM 1665 O GLY A 896 -4.376 4.310 -5.297 1.00 0.00 O ATOM 0 H GLY A 896 -8.375 3.046 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -6.174 4.519 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -7.226 4.965 -5.731 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.817 3.036 -4.135 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.819 2.567 -3.177 1.00 0.00 C ATOM 1671 C LEU A 897 -3.837 1.630 -3.873 1.00 0.00 C ATOM 1672 O LEU A 897 -2.620 1.736 -3.694 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.514 1.868 -1.994 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.601 1.356 -0.865 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.062 -0.031 -1.177 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.454 2.324 -0.620 1.00 0.00 C ATOM 0 H LEU A 897 -6.761 2.692 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.260 3.417 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.233 2.564 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.082 1.023 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.202 1.290 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.421 -0.364 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.893 -0.727 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.485 0.002 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -2.821 1.943 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -2.864 2.427 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -3.854 3.297 -0.335 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.381 0.716 -4.663 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.582 -0.189 -5.477 1.00 0.00 C ATOM 1690 C ARG A 898 -2.616 0.620 -6.332 1.00 0.00 C ATOM 1691 O ARG A 898 -1.417 0.356 -6.352 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.520 -1.020 -6.358 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.876 -2.206 -7.059 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.919 -2.954 -7.876 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.415 -4.197 -8.459 1.00 0.00 N ATOM 1696 CZ ARG A 898 -5.177 -5.038 -9.164 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -6.463 -4.769 -9.359 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -4.655 -6.145 -9.673 1.00 0.00 N ATOM 0 H ARG A 898 -5.388 0.581 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 898 -3.003 -0.860 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -5.341 -1.386 -5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.956 -0.366 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -3.071 -1.862 -7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -3.429 -2.875 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -5.775 -3.180 -7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -5.278 -2.305 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 898 -3.433 -4.434 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -6.871 -3.919 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -7.043 -5.413 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -3.668 -6.357 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -5.240 -6.784 -10.211 1.00 0.00 H new ATOM 1712 N MET A 899 -3.155 1.635 -6.997 1.00 0.00 N ATOM 1713 CA MET A 899 -2.366 2.546 -7.817 1.00 0.00 C ATOM 1714 C MET A 899 -1.342 3.307 -6.976 1.00 0.00 C ATOM 1715 O MET A 899 -0.179 3.391 -7.347 1.00 0.00 O ATOM 1716 CB MET A 899 -3.298 3.534 -8.524 1.00 0.00 C ATOM 1717 CG MET A 899 -2.586 4.684 -9.216 1.00 0.00 C ATOM 1718 SD MET A 899 -3.738 5.867 -9.939 1.00 0.00 S ATOM 1719 CE MET A 899 -2.613 7.154 -10.466 1.00 0.00 C ATOM 0 H MET A 899 -4.152 1.850 -6.983 1.00 0.00 H new ATOM 0 HA MET A 899 -1.822 1.958 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.889 2.992 -9.262 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.996 3.942 -7.793 1.00 0.00 H new ATOM 0 HG2 MET A 899 -1.946 5.196 -8.498 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.937 4.289 -9.997 1.00 0.00 H new ATOM 0 HE1 MET A 899 -3.177 7.961 -10.935 1.00 0.00 H new ATOM 0 HE2 MET A 899 -2.074 7.542 -9.602 1.00 0.00 H new ATOM 0 HE3 MET A 899 -1.902 6.744 -11.183 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.781 3.852 -5.843 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.906 4.636 -4.972 1.00 0.00 C ATOM 1731 C ALA A 900 0.295 3.821 -4.513 1.00 0.00 C ATOM 1732 O ALA A 900 1.437 4.271 -4.605 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.681 5.150 -3.768 1.00 0.00 C ATOM 0 H ALA A 900 -2.740 3.765 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.537 5.485 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -1.017 5.732 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.503 5.781 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -2.080 4.306 -3.205 1.00 0.00 H new ATOM 1739 N THR A 901 0.027 2.618 -4.032 1.00 0.00 N ATOM 1740 CA THR A 901 1.075 1.732 -3.548 1.00 0.00 C ATOM 1741 C THR A 901 1.966 1.271 -4.698 1.00 0.00 C ATOM 1742 O THR A 901 3.191 1.278 -4.591 1.00 0.00 O ATOM 1743 CB THR A 901 0.468 0.504 -2.855 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.534 0.923 -1.922 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.544 -0.285 -2.129 1.00 0.00 C ATOM 0 H THR A 901 -0.914 2.230 -3.966 1.00 0.00 H new ATOM 0 HA THR A 901 1.676 2.290 -2.830 1.00 0.00 H new ATOM 0 HB THR A 901 0.017 -0.136 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.353 1.160 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 901 1.095 -1.152 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.296 -0.619 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 901 2.015 0.348 -1.377 1.00 0.00 H new ATOM 1753 N ASN A 902 1.332 0.879 -5.794 1.00 0.00 N ATOM 1754 CA ASN A 902 2.035 0.441 -6.989 1.00 0.00 C ATOM 1755 C ASN A 902 2.934 1.556 -7.520 1.00 0.00 C ATOM 1756 O ASN A 902 4.066 1.315 -7.949 1.00 0.00 O ATOM 1757 CB ASN A 902 1.019 0.025 -8.057 1.00 0.00 C ATOM 1758 CG ASN A 902 1.659 -0.425 -9.352 1.00 0.00 C ATOM 1759 OD1 ASN A 902 1.881 0.375 -10.260 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.962 -1.706 -9.447 1.00 0.00 N ATOM 0 H ASN A 902 0.316 0.856 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 902 2.663 -0.414 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.402 -0.783 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.354 0.864 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.397 -2.066 -10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 902 1.761 -2.336 -8.671 1.00 0.00 H new ATOM 1767 N ALA A 903 2.419 2.782 -7.483 1.00 0.00 N ATOM 1768 CA ALA A 903 3.179 3.951 -7.898 1.00 0.00 C ATOM 1769 C ALA A 903 4.358 4.174 -6.970 1.00 0.00 C ATOM 1770 O ALA A 903 5.476 4.336 -7.430 1.00 0.00 O ATOM 1771 CB ALA A 903 2.300 5.193 -7.933 1.00 0.00 C ATOM 0 H ALA A 903 1.472 2.989 -7.167 1.00 0.00 H new ATOM 0 HA ALA A 903 3.551 3.767 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 903 2.895 6.051 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 903 1.483 5.041 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 903 1.892 5.378 -6.939 1.00 0.00 H new ATOM 1777 N ALA A 904 4.103 4.162 -5.664 1.00 0.00 N ATOM 1778 CA ALA A 904 5.154 4.361 -4.669 1.00 0.00 C ATOM 1779 C ALA A 904 6.233 3.290 -4.796 1.00 0.00 C ATOM 1780 O ALA A 904 7.420 3.557 -4.600 1.00 0.00 O ATOM 1781 CB ALA A 904 4.564 4.356 -3.266 1.00 0.00 C ATOM 0 H ALA A 904 3.174 4.016 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 904 5.615 5.332 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.360 4.505 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 904 3.833 5.160 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 904 4.076 3.399 -3.080 1.00 0.00 H new ATOM 1787 N ALA A 905 5.803 2.084 -5.139 1.00 0.00 N ATOM 1788 CA ALA A 905 6.707 0.965 -5.361 1.00 0.00 C ATOM 1789 C ALA A 905 7.713 1.289 -6.467 1.00 0.00 C ATOM 1790 O ALA A 905 8.928 1.165 -6.282 1.00 0.00 O ATOM 1791 CB ALA A 905 5.902 -0.279 -5.715 1.00 0.00 C ATOM 0 H ALA A 905 4.818 1.854 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 905 7.268 0.778 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 905 6.580 -1.116 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.223 -0.518 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.326 -0.094 -6.621 1.00 0.00 H new ATOM 1797 N GLN A 906 7.194 1.717 -7.610 1.00 0.00 N ATOM 1798 CA GLN A 906 8.021 2.055 -8.765 1.00 0.00 C ATOM 1799 C GLN A 906 8.654 3.438 -8.618 1.00 0.00 C ATOM 1800 O GLN A 906 9.656 3.744 -9.265 1.00 0.00 O ATOM 1801 CB GLN A 906 7.183 2.000 -10.044 1.00 0.00 C ATOM 1802 CG GLN A 906 6.622 0.620 -10.342 1.00 0.00 C ATOM 1803 CD GLN A 906 5.752 0.602 -11.580 1.00 0.00 C ATOM 1804 OE1 GLN A 906 6.238 0.405 -12.693 1.00 0.00 O ATOM 1805 NE2 GLN A 906 4.457 0.802 -11.399 1.00 0.00 N ATOM 0 H GLN A 906 6.193 1.840 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 906 8.826 1.322 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 906 6.359 2.708 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 906 7.796 2.324 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 906 7.445 -0.083 -10.470 1.00 0.00 H new ATOM 0 HG3 GLN A 906 6.039 0.276 -9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 906 4.092 0.962 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 906 3.823 0.796 -12.198 1.00 0.00 H new ATOM 1814 N ASN A 907 8.037 4.271 -7.788 1.00 0.00 N ATOM 1815 CA ASN A 907 8.474 5.652 -7.581 1.00 0.00 C ATOM 1816 C ASN A 907 9.896 5.690 -7.056 1.00 0.00 C ATOM 1817 O ASN A 907 10.719 6.463 -7.542 1.00 0.00 O ATOM 1818 CB ASN A 907 7.554 6.358 -6.583 1.00 0.00 C ATOM 1819 CG ASN A 907 7.557 7.869 -6.729 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.536 8.467 -7.176 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.456 8.492 -6.343 1.00 0.00 N ATOM 0 H ASN A 907 7.219 4.010 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 907 8.432 6.165 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 907 6.537 5.989 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 907 7.860 6.097 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 907 6.395 9.508 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 907 5.668 7.956 -5.978 1.00 0.00 H new ATOM 1828 N ALA A 908 10.166 4.841 -6.065 1.00 0.00 N ATOM 1829 CA ALA A 908 11.473 4.772 -5.420 1.00 0.00 C ATOM 1830 C ALA A 908 12.603 4.725 -6.444 1.00 0.00 C ATOM 1831 O ALA A 908 12.776 3.728 -7.149 1.00 0.00 O ATOM 1832 CB ALA A 908 11.539 3.557 -4.510 1.00 0.00 C ATOM 0 H ALA A 908 9.484 4.183 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 908 11.602 5.677 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.518 3.513 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.765 3.632 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.381 2.653 -5.098 1.00 0.00 H new