USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=23 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 855 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 907 ASN : amide:sc= 0.409 K(o=1.4,f=-4.6!) USER MOD Set 2.1: A 833 THR OG1 : rot 76:sc= 1.19 USER MOD Set 2.2: A 867 THR OG1 : rot 71:sc= -1.81! USER MOD Set 3.1: A 811 ASN : amide:sc= -3.49! C(o=-3.6!,f=-3.3!) USER MOD Set 3.2: A 825 GLN : amide:sc= -0.0752 K(o=-3.6,f=-8!) USER MOD Single : A 798 TYR OH : rot 82:sc= 0.102 USER MOD Single : A 800 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.48) USER MOD Single : A 802 THR OG1 : rot -79:sc= -0.105 USER MOD Single : A 804 THR OG1 : rot 71:sc= 0.187 USER MOD Single : A 807 THR OG1 : rot 84:sc= 1.32 USER MOD Single : A 809 THR OG1 : rot 51:sc= 1.28 USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 73:sc= 0.172 USER MOD Single : A 816 MET CE :methyl -141:sc= -0.887 (180deg=-2.22) USER MOD Single : A 822 MET CE :methyl 139:sc= -0.398 (180deg=-0.926) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 68:sc= 1.27 USER MOD Single : A 838 ASN : amide:sc= 0 K(o=0,f=-0.64) 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= -0.45 X(o=-0.45,f=-0.047) USER MOD Single : A 853 SER OG : rot 66:sc= 0.777 USER MOD Single : A 858 SER OG : rot -96:sc= 1.24 USER MOD Single : A 861 LYS NZ :NH3+ -107:sc= -1.25 (180deg=-3.71!) USER MOD Single : A 869 LYS NZ :NH3+ -168:sc=-0.00873 (180deg=-0.187) USER MOD Single : A 870 MET CE :methyl 169:sc= -0.0686 (180deg=-0.288) USER MOD Single : A 875 LYS NZ :NH3+ 171:sc=-0.00324 (180deg=-0.0983) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 883 SER OG : rot 130:sc= -0.32 USER MOD Single : A 886 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.6!) USER MOD Single : A 887 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.77) USER MOD Single : A 888 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 899 MET CE :methyl 139:sc= -0.213 (180deg=-1.4) USER MOD Single : A 901 THR OG1 : rot 77:sc= 0.322 USER MOD Single : A 902 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 906 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 11.222 -0.926 -0.781 1.00 0.00 N ATOM 220 CA TYR A 798 9.881 -1.069 -0.228 1.00 0.00 C ATOM 221 C TYR A 798 9.123 -2.131 -1.006 1.00 0.00 C ATOM 222 O TYR A 798 7.931 -2.340 -0.790 1.00 0.00 O ATOM 223 CB TYR A 798 9.080 0.236 -0.322 1.00 0.00 C ATOM 224 CG TYR A 798 9.805 1.491 0.107 1.00 0.00 C ATOM 225 CD1 TYR A 798 10.353 1.572 1.378 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.974 2.571 -0.753 1.00 0.00 C ATOM 227 CE1 TYR A 798 11.042 2.691 1.789 1.00 0.00 C ATOM 228 CE2 TYR A 798 10.672 3.696 -0.349 1.00 0.00 C ATOM 229 CZ TYR A 798 11.068 3.847 0.861 1.00 0.00 C ATOM 230 OH TYR A 798 11.910 4.849 1.337 1.00 0.00 O ATOM 0 HA TYR A 798 9.992 -1.344 0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 798 8.752 0.364 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.182 0.133 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 798 10.237 0.742 2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 798 9.556 2.531 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 798 11.542 2.725 2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 798 10.889 4.468 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 798 12.837 4.637 1.101 1.00 0.00 H new ATOM 240 N ASP A 799 9.829 -2.809 -1.897 1.00 0.00 N ATOM 241 CA ASP A 799 9.196 -3.651 -2.906 1.00 0.00 C ATOM 242 C ASP A 799 8.519 -4.869 -2.289 1.00 0.00 C ATOM 243 O ASP A 799 7.529 -5.363 -2.821 1.00 0.00 O ATOM 244 CB ASP A 799 10.225 -4.080 -3.953 1.00 0.00 C ATOM 245 CG ASP A 799 10.850 -2.893 -4.666 1.00 0.00 C ATOM 246 OD1 ASP A 799 11.615 -2.136 -4.020 1.00 0.00 O ATOM 247 OD2 ASP A 799 10.589 -2.712 -5.875 1.00 0.00 O ATOM 0 H ASP A 799 10.848 -2.794 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 799 8.418 -3.061 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 799 11.008 -4.665 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 799 9.746 -4.730 -4.685 1.00 0.00 H new ATOM 252 N GLN A 800 9.034 -5.342 -1.161 1.00 0.00 N ATOM 253 CA GLN A 800 8.389 -6.437 -0.440 1.00 0.00 C ATOM 254 C GLN A 800 7.102 -5.964 0.225 1.00 0.00 C ATOM 255 O GLN A 800 6.051 -6.592 0.090 1.00 0.00 O ATOM 256 CB GLN A 800 9.324 -7.025 0.617 1.00 0.00 C ATOM 257 CG GLN A 800 10.416 -7.909 0.043 1.00 0.00 C ATOM 258 CD GLN A 800 9.865 -9.087 -0.734 1.00 0.00 C ATOM 259 OE1 GLN A 800 9.676 -9.012 -1.944 1.00 0.00 O ATOM 260 NE2 GLN A 800 9.589 -10.178 -0.042 1.00 0.00 N ATOM 0 H GLN A 800 9.888 -4.990 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 800 8.150 -7.212 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 800 9.785 -6.210 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 800 8.735 -7.605 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 800 11.054 -7.314 -0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 800 11.045 -8.276 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 800 9.760 -10.201 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 800 9.205 -10.997 -0.513 1.00 0.00 H new ATOM 269 N ALA A 801 7.190 -4.842 0.933 1.00 0.00 N ATOM 270 CA ALA A 801 6.048 -4.299 1.660 1.00 0.00 C ATOM 271 C ALA A 801 4.954 -3.844 0.700 1.00 0.00 C ATOM 272 O ALA A 801 3.765 -4.034 0.963 1.00 0.00 O ATOM 273 CB ALA A 801 6.488 -3.147 2.550 1.00 0.00 C ATOM 0 H ALA A 801 8.043 -4.290 1.019 1.00 0.00 H new ATOM 0 HA ALA A 801 5.637 -5.090 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 801 5.625 -2.752 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.229 -3.503 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 801 6.926 -2.360 1.936 1.00 0.00 H new ATOM 279 N THR A 802 5.359 -3.249 -0.414 1.00 0.00 N ATOM 280 CA THR A 802 4.410 -2.827 -1.427 1.00 0.00 C ATOM 281 C THR A 802 3.763 -4.036 -2.082 1.00 0.00 C ATOM 282 O THR A 802 2.553 -4.061 -2.278 1.00 0.00 O ATOM 283 CB THR A 802 5.072 -1.943 -2.501 1.00 0.00 C ATOM 284 OG1 THR A 802 6.275 -2.561 -2.969 1.00 0.00 O ATOM 285 CG2 THR A 802 5.385 -0.559 -1.953 1.00 0.00 C ATOM 0 H THR A 802 6.334 -3.050 -0.636 1.00 0.00 H new ATOM 0 HA THR A 802 3.646 -2.232 -0.928 1.00 0.00 H new ATOM 0 HB THR A 802 4.372 -1.834 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.993 -2.412 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.852 0.044 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.462 -0.079 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 802 6.066 -0.648 -1.107 1.00 0.00 H new ATOM 293 N ASP A 803 4.575 -5.049 -2.392 1.00 0.00 N ATOM 294 CA ASP A 803 4.071 -6.298 -2.963 1.00 0.00 C ATOM 295 C ASP A 803 2.926 -6.850 -2.127 1.00 0.00 C ATOM 296 O ASP A 803 1.906 -7.284 -2.663 1.00 0.00 O ATOM 297 CB ASP A 803 5.185 -7.339 -3.065 1.00 0.00 C ATOM 298 CG ASP A 803 4.661 -8.714 -3.421 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.301 -8.927 -4.599 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.611 -9.586 -2.533 1.00 0.00 O ATOM 0 H ASP A 803 5.586 -5.028 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 803 3.703 -6.080 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 803 5.906 -7.022 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.718 -7.391 -2.115 1.00 0.00 H new ATOM 305 N THR A 804 3.097 -6.813 -0.812 1.00 0.00 N ATOM 306 CA THR A 804 2.047 -7.220 0.104 1.00 0.00 C ATOM 307 C THR A 804 0.767 -6.432 -0.171 1.00 0.00 C ATOM 308 O THR A 804 -0.288 -7.013 -0.420 1.00 0.00 O ATOM 309 CB THR A 804 2.478 -7.009 1.569 1.00 0.00 C ATOM 310 OG1 THR A 804 3.742 -7.649 1.795 1.00 0.00 O ATOM 311 CG2 THR A 804 1.442 -7.572 2.531 1.00 0.00 C ATOM 0 H THR A 804 3.956 -6.504 -0.358 1.00 0.00 H new ATOM 0 HA THR A 804 1.859 -8.282 -0.055 1.00 0.00 H new ATOM 0 HB THR A 804 2.567 -5.938 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.448 -7.151 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.772 -7.409 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.488 -7.070 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.323 -8.641 2.353 1.00 0.00 H new ATOM 319 N ILE A 805 0.878 -5.109 -0.168 1.00 0.00 N ATOM 320 CA ILE A 805 -0.270 -4.239 -0.401 1.00 0.00 C ATOM 321 C ILE A 805 -0.872 -4.465 -1.794 1.00 0.00 C ATOM 322 O ILE A 805 -2.076 -4.687 -1.923 1.00 0.00 O ATOM 323 CB ILE A 805 0.110 -2.752 -0.235 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.575 -2.471 1.201 1.00 0.00 C ATOM 325 CG2 ILE A 805 -1.066 -1.858 -0.604 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.094 -1.067 1.408 1.00 0.00 C ATOM 0 H ILE A 805 1.755 -4.613 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 805 -1.019 -4.496 0.348 1.00 0.00 H new ATOM 0 HB ILE A 805 0.936 -2.529 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 805 -0.257 -2.646 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.359 -3.181 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.781 -0.813 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.348 -2.038 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.912 -2.082 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.404 -0.943 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 805 1.947 -0.894 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.306 -0.350 1.176 1.00 0.00 H new ATOM 338 N LEU A 806 -0.030 -4.430 -2.827 1.00 0.00 N ATOM 339 CA LEU A 806 -0.489 -4.621 -4.205 1.00 0.00 C ATOM 340 C LEU A 806 -1.243 -5.944 -4.363 1.00 0.00 C ATOM 341 O LEU A 806 -2.239 -6.017 -5.085 1.00 0.00 O ATOM 342 CB LEU A 806 0.679 -4.582 -5.202 1.00 0.00 C ATOM 343 CG LEU A 806 1.084 -3.190 -5.714 1.00 0.00 C ATOM 344 CD1 LEU A 806 -0.141 -2.348 -6.021 1.00 0.00 C ATOM 345 CD2 LEU A 806 1.988 -2.477 -4.729 1.00 0.00 C ATOM 0 H LEU A 806 0.974 -4.271 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.166 -3.796 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.548 -5.041 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 806 0.418 -5.201 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 806 1.645 -3.332 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 806 0.172 -1.368 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.740 -2.842 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -0.736 -2.228 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.254 -1.496 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.468 -2.357 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.893 -3.064 -4.575 1.00 0.00 H new ATOM 357 N THR A 807 -0.767 -6.984 -3.690 1.00 0.00 N ATOM 358 CA THR A 807 -1.387 -8.298 -3.783 1.00 0.00 C ATOM 359 C THR A 807 -2.680 -8.367 -2.966 1.00 0.00 C ATOM 360 O THR A 807 -3.703 -8.840 -3.456 1.00 0.00 O ATOM 361 CB THR A 807 -0.428 -9.411 -3.318 1.00 0.00 C ATOM 362 OG1 THR A 807 0.811 -9.313 -4.031 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.038 -10.783 -3.552 1.00 0.00 C ATOM 0 H THR A 807 0.045 -6.942 -3.075 1.00 0.00 H new ATOM 0 HA THR A 807 -1.625 -8.456 -4.835 1.00 0.00 H new ATOM 0 HB THR A 807 -0.250 -9.285 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.392 -8.659 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.343 -11.552 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.970 -10.867 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.239 -10.915 -4.615 1.00 0.00 H new ATOM 371 N VAL A 808 -2.637 -7.875 -1.733 1.00 0.00 N ATOM 372 CA VAL A 808 -3.804 -7.929 -0.854 1.00 0.00 C ATOM 373 C VAL A 808 -4.949 -7.083 -1.411 1.00 0.00 C ATOM 374 O VAL A 808 -6.115 -7.381 -1.177 1.00 0.00 O ATOM 375 CB VAL A 808 -3.455 -7.478 0.585 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.696 -7.425 1.465 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.426 -8.414 1.198 1.00 0.00 C ATOM 0 H VAL A 808 -1.814 -7.437 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.128 -8.969 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 808 -3.036 -6.473 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.417 -7.105 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.411 -6.718 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.151 -8.415 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.191 -8.084 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.829 -9.426 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.519 -8.404 0.593 1.00 0.00 H new ATOM 387 N THR A 809 -4.606 -6.052 -2.173 1.00 0.00 N ATOM 388 CA THR A 809 -5.598 -5.171 -2.779 1.00 0.00 C ATOM 389 C THR A 809 -6.653 -5.945 -3.578 1.00 0.00 C ATOM 390 O THR A 809 -7.855 -5.761 -3.375 1.00 0.00 O ATOM 391 CB THR A 809 -4.927 -4.144 -3.708 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.100 -3.257 -2.948 1.00 0.00 O ATOM 393 CG2 THR A 809 -5.973 -3.353 -4.475 1.00 0.00 C ATOM 0 H THR A 809 -3.640 -5.804 -2.388 1.00 0.00 H new ATOM 0 HA THR A 809 -6.095 -4.658 -1.955 1.00 0.00 H new ATOM 0 HB THR A 809 -4.306 -4.682 -4.424 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.502 -3.779 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.479 -2.632 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.574 -4.034 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.617 -2.825 -3.772 1.00 0.00 H new ATOM 401 N GLU A 810 -6.203 -6.816 -4.474 1.00 0.00 N ATOM 402 CA GLU A 810 -7.118 -7.562 -5.328 1.00 0.00 C ATOM 403 C GLU A 810 -7.937 -8.553 -4.509 1.00 0.00 C ATOM 404 O GLU A 810 -9.037 -8.940 -4.909 1.00 0.00 O ATOM 405 CB GLU A 810 -6.370 -8.278 -6.457 1.00 0.00 C ATOM 406 CG GLU A 810 -5.338 -9.288 -5.985 1.00 0.00 C ATOM 407 CD GLU A 810 -4.612 -9.949 -7.137 1.00 0.00 C ATOM 408 OE1 GLU A 810 -3.721 -9.306 -7.729 1.00 0.00 O ATOM 409 OE2 GLU A 810 -4.937 -11.108 -7.468 1.00 0.00 O ATOM 0 H GLU A 810 -5.216 -7.022 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.802 -6.847 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -7.096 -8.788 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -5.873 -7.532 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.614 -8.790 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -5.830 -10.052 -5.382 1.00 0.00 H new ATOM 416 N ASN A 811 -7.398 -8.952 -3.360 1.00 0.00 N ATOM 417 CA ASN A 811 -8.059 -9.932 -2.507 1.00 0.00 C ATOM 418 C ASN A 811 -9.445 -9.465 -2.086 1.00 0.00 C ATOM 419 O ASN A 811 -10.354 -10.274 -1.947 1.00 0.00 O ATOM 420 CB ASN A 811 -7.234 -10.253 -1.254 1.00 0.00 C ATOM 421 CG ASN A 811 -5.939 -10.979 -1.554 1.00 0.00 C ATOM 422 OD1 ASN A 811 -5.818 -11.679 -2.559 1.00 0.00 O ATOM 423 ND2 ASN A 811 -4.970 -10.838 -0.661 1.00 0.00 N ATOM 0 H ASN A 811 -6.507 -8.612 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.154 -10.838 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -7.008 -9.325 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.835 -10.862 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.081 -11.320 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.113 -10.247 0.158 1.00 0.00 H new ATOM 430 N ILE A 812 -9.613 -8.159 -1.901 1.00 0.00 N ATOM 431 CA ILE A 812 -10.906 -7.612 -1.497 1.00 0.00 C ATOM 432 C ILE A 812 -11.975 -7.924 -2.545 1.00 0.00 C ATOM 433 O ILE A 812 -13.120 -8.225 -2.210 1.00 0.00 O ATOM 434 CB ILE A 812 -10.848 -6.082 -1.248 1.00 0.00 C ATOM 435 CG1 ILE A 812 -10.037 -5.760 0.012 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.243 -5.493 -1.124 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.539 -5.801 -0.191 1.00 0.00 C ATOM 0 H ILE A 812 -8.877 -7.464 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 812 -11.169 -8.092 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.354 -5.632 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.318 -4.769 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.306 -6.468 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.171 -4.419 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.798 -5.675 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.763 -5.962 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.038 -5.562 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.243 -6.798 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.255 -5.072 -0.950 1.00 0.00 H new ATOM 449 N PHE A 813 -11.586 -7.880 -3.813 1.00 0.00 N ATOM 450 CA PHE A 813 -12.506 -8.185 -4.903 1.00 0.00 C ATOM 451 C PHE A 813 -12.745 -9.686 -4.989 1.00 0.00 C ATOM 452 O PHE A 813 -13.818 -10.134 -5.390 1.00 0.00 O ATOM 453 CB PHE A 813 -11.958 -7.664 -6.233 1.00 0.00 C ATOM 454 CG PHE A 813 -11.820 -6.169 -6.279 1.00 0.00 C ATOM 455 CD1 PHE A 813 -12.921 -5.370 -6.538 1.00 0.00 C ATOM 456 CD2 PHE A 813 -10.593 -5.565 -6.066 1.00 0.00 C ATOM 457 CE1 PHE A 813 -12.802 -3.997 -6.582 1.00 0.00 C ATOM 458 CE2 PHE A 813 -10.466 -4.191 -6.109 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.573 -3.405 -6.367 1.00 0.00 C ATOM 0 H PHE A 813 -10.642 -7.637 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.454 -7.688 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.984 -8.117 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.617 -7.985 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -13.884 -5.828 -6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -9.725 -6.175 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -13.669 -3.385 -6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -9.503 -3.731 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.477 -2.330 -6.400 1.00 0.00 H new ATOM 469 N SER A 814 -11.743 -10.457 -4.599 1.00 0.00 N ATOM 470 CA SER A 814 -11.852 -11.905 -4.591 1.00 0.00 C ATOM 471 C SER A 814 -12.766 -12.362 -3.455 1.00 0.00 C ATOM 472 O SER A 814 -13.648 -13.200 -3.647 1.00 0.00 O ATOM 473 CB SER A 814 -10.459 -12.527 -4.441 1.00 0.00 C ATOM 474 OG SER A 814 -10.510 -13.940 -4.525 1.00 0.00 O ATOM 0 H SER A 814 -10.841 -10.101 -4.282 1.00 0.00 H new ATOM 0 HA SER A 814 -12.287 -12.235 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.800 -12.139 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.030 -12.234 -3.483 1.00 0.00 H new ATOM 0 HG SER A 814 -9.606 -14.306 -4.427 1.00 0.00 H new ATOM 480 N SER A 815 -12.559 -11.785 -2.281 1.00 0.00 N ATOM 481 CA SER A 815 -13.330 -12.126 -1.096 1.00 0.00 C ATOM 482 C SER A 815 -14.671 -11.399 -1.077 1.00 0.00 C ATOM 483 O SER A 815 -15.477 -11.600 -0.167 1.00 0.00 O ATOM 484 CB SER A 815 -12.527 -11.767 0.153 1.00 0.00 C ATOM 485 OG SER A 815 -11.241 -12.363 0.114 1.00 0.00 O ATOM 0 H SER A 815 -11.852 -11.067 -2.123 1.00 0.00 H new ATOM 0 HA SER A 815 -13.530 -13.197 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.429 -10.684 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.061 -12.101 1.043 1.00 0.00 H new ATOM 0 HG SER A 815 -10.683 -11.894 -0.541 1.00 0.00 H new ATOM 491 N MET A 816 -14.894 -10.549 -2.080 1.00 0.00 N ATOM 492 CA MET A 816 -16.125 -9.770 -2.187 1.00 0.00 C ATOM 493 C MET A 816 -17.344 -10.670 -2.039 1.00 0.00 C ATOM 494 O MET A 816 -17.581 -11.565 -2.853 1.00 0.00 O ATOM 495 CB MET A 816 -16.179 -9.026 -3.521 1.00 0.00 C ATOM 496 CG MET A 816 -17.449 -8.214 -3.716 1.00 0.00 C ATOM 497 SD MET A 816 -17.378 -7.165 -5.177 1.00 0.00 S ATOM 498 CE MET A 816 -16.028 -6.081 -4.724 1.00 0.00 C ATOM 0 H MET A 816 -14.230 -10.383 -2.836 1.00 0.00 H new ATOM 0 HA MET A 816 -16.133 -9.037 -1.380 1.00 0.00 H new ATOM 0 HB2 MET A 816 -15.318 -8.361 -3.591 1.00 0.00 H new ATOM 0 HB3 MET A 816 -16.091 -9.747 -4.333 1.00 0.00 H new ATOM 0 HG2 MET A 816 -18.300 -8.890 -3.799 1.00 0.00 H new ATOM 0 HG3 MET A 816 -17.619 -7.594 -2.836 1.00 0.00 H new ATOM 0 HE1 MET A 816 -16.250 -5.066 -5.054 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.901 -6.091 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 816 -15.110 -6.425 -5.201 1.00 0.00 H new ATOM 508 N GLY A 817 -18.096 -10.433 -0.981 1.00 0.00 N ATOM 509 CA GLY A 817 -19.219 -11.280 -0.655 1.00 0.00 C ATOM 510 C GLY A 817 -19.188 -11.661 0.804 1.00 0.00 C ATOM 511 O GLY A 817 -20.215 -11.663 1.482 1.00 0.00 O ATOM 0 H GLY A 817 -17.946 -9.659 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.151 -10.762 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.196 -12.178 -1.272 1.00 0.00 H new ATOM 515 N ASP A 818 -17.994 -11.967 1.296 1.00 0.00 N ATOM 516 CA ASP A 818 -17.800 -12.239 2.712 1.00 0.00 C ATOM 517 C ASP A 818 -17.311 -10.973 3.395 1.00 0.00 C ATOM 518 O ASP A 818 -16.194 -10.520 3.152 1.00 0.00 O ATOM 519 CB ASP A 818 -16.794 -13.376 2.922 1.00 0.00 C ATOM 520 CG ASP A 818 -16.737 -13.838 4.368 1.00 0.00 C ATOM 521 OD1 ASP A 818 -16.304 -13.048 5.232 1.00 0.00 O ATOM 522 OD2 ASP A 818 -17.127 -14.990 4.651 1.00 0.00 O ATOM 0 H ASP A 818 -17.146 -12.033 0.734 1.00 0.00 H new ATOM 0 HA ASP A 818 -18.749 -12.552 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.063 -14.218 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -15.804 -13.044 2.610 1.00 0.00 H new ATOM 527 N ALA A 819 -18.152 -10.408 4.246 1.00 0.00 N ATOM 528 CA ALA A 819 -17.878 -9.116 4.858 1.00 0.00 C ATOM 529 C ALA A 819 -16.648 -9.169 5.757 1.00 0.00 C ATOM 530 O ALA A 819 -15.737 -8.348 5.621 1.00 0.00 O ATOM 531 CB ALA A 819 -19.095 -8.645 5.636 1.00 0.00 C ATOM 0 H ALA A 819 -19.037 -10.827 4.531 1.00 0.00 H new ATOM 0 HA ALA A 819 -17.665 -8.401 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -18.884 -7.678 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -19.945 -8.550 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -19.331 -9.369 6.416 1.00 0.00 H new ATOM 537 N GLY A 820 -16.622 -10.136 6.661 1.00 0.00 N ATOM 538 CA GLY A 820 -15.488 -10.303 7.554 1.00 0.00 C ATOM 539 C GLY A 820 -14.174 -10.478 6.813 1.00 0.00 C ATOM 540 O GLY A 820 -13.171 -9.859 7.166 1.00 0.00 O ATOM 0 H GLY A 820 -17.371 -10.815 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -15.417 -9.435 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -15.658 -11.171 8.191 1.00 0.00 H new ATOM 544 N GLU A 821 -14.178 -11.309 5.777 1.00 0.00 N ATOM 545 CA GLU A 821 -12.971 -11.568 4.995 1.00 0.00 C ATOM 546 C GLU A 821 -12.539 -10.319 4.221 1.00 0.00 C ATOM 547 O GLU A 821 -11.347 -10.021 4.125 1.00 0.00 O ATOM 548 CB GLU A 821 -13.202 -12.744 4.039 1.00 0.00 C ATOM 549 CG GLU A 821 -11.959 -13.189 3.283 1.00 0.00 C ATOM 550 CD GLU A 821 -10.826 -13.610 4.195 1.00 0.00 C ATOM 551 OE1 GLU A 821 -11.051 -14.467 5.073 1.00 0.00 O ATOM 552 OE2 GLU A 821 -9.708 -13.068 4.056 1.00 0.00 O ATOM 0 H GLU A 821 -15.003 -11.816 5.458 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.167 -11.829 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -13.589 -13.589 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -13.971 -12.466 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -12.218 -14.021 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.619 -12.374 2.644 1.00 0.00 H new ATOM 559 N MET A 822 -13.509 -9.583 3.684 1.00 0.00 N ATOM 560 CA MET A 822 -13.218 -8.341 2.968 1.00 0.00 C ATOM 561 C MET A 822 -12.554 -7.330 3.895 1.00 0.00 C ATOM 562 O MET A 822 -11.533 -6.731 3.550 1.00 0.00 O ATOM 563 CB MET A 822 -14.491 -7.731 2.375 1.00 0.00 C ATOM 564 CG MET A 822 -15.031 -8.472 1.164 1.00 0.00 C ATOM 565 SD MET A 822 -16.583 -7.778 0.560 1.00 0.00 S ATOM 566 CE MET A 822 -16.090 -6.092 0.186 1.00 0.00 C ATOM 0 H MET A 822 -14.499 -9.823 3.730 1.00 0.00 H new ATOM 0 HA MET A 822 -12.536 -8.585 2.153 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.262 -7.707 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.288 -6.698 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.290 -8.444 0.365 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.182 -9.520 1.422 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.552 -5.777 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.413 -5.431 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.005 -6.043 0.090 1.00 0.00 H new ATOM 576 N VAL A 823 -13.132 -7.151 5.079 1.00 0.00 N ATOM 577 CA VAL A 823 -12.577 -6.232 6.063 1.00 0.00 C ATOM 578 C VAL A 823 -11.218 -6.732 6.546 1.00 0.00 C ATOM 579 O VAL A 823 -10.313 -5.941 6.797 1.00 0.00 O ATOM 580 CB VAL A 823 -13.529 -6.041 7.267 1.00 0.00 C ATOM 581 CG1 VAL A 823 -12.926 -5.093 8.293 1.00 0.00 C ATOM 582 CG2 VAL A 823 -14.879 -5.521 6.799 1.00 0.00 C ATOM 0 H VAL A 823 -13.982 -7.629 5.378 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.454 -5.264 5.577 1.00 0.00 H new ATOM 0 HB VAL A 823 -13.672 -7.012 7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -13.615 -4.976 9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -11.982 -5.501 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -12.748 -4.122 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -15.537 -5.392 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -14.746 -4.563 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.323 -6.235 6.106 1.00 0.00 H new ATOM 592 N ARG A 824 -11.082 -8.049 6.649 1.00 0.00 N ATOM 593 CA ARG A 824 -9.821 -8.671 7.037 1.00 0.00 C ATOM 594 C ARG A 824 -8.696 -8.231 6.105 1.00 0.00 C ATOM 595 O ARG A 824 -7.632 -7.809 6.558 1.00 0.00 O ATOM 596 CB ARG A 824 -9.957 -10.197 7.008 1.00 0.00 C ATOM 597 CG ARG A 824 -8.724 -10.939 7.496 1.00 0.00 C ATOM 598 CD ARG A 824 -8.447 -10.656 8.962 1.00 0.00 C ATOM 599 NE ARG A 824 -7.325 -11.438 9.475 1.00 0.00 N ATOM 600 CZ ARG A 824 -7.134 -11.700 10.765 1.00 0.00 C ATOM 601 NH1 ARG A 824 -8.003 -11.264 11.668 1.00 0.00 N ATOM 602 NH2 ARG A 824 -6.081 -12.406 11.153 1.00 0.00 N ATOM 0 H ARG A 824 -11.836 -8.712 6.468 1.00 0.00 H new ATOM 0 HA ARG A 824 -9.577 -8.353 8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -10.809 -10.487 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.178 -10.512 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.862 -12.010 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -7.861 -10.645 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.236 -9.594 9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.339 -10.878 9.547 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.649 -11.804 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.819 -10.727 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -7.855 -11.466 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -5.415 -12.750 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -5.937 -12.605 12.143 1.00 0.00 H new ATOM 616 N GLN A 825 -8.948 -8.311 4.802 1.00 0.00 N ATOM 617 CA GLN A 825 -7.966 -7.903 3.802 1.00 0.00 C ATOM 618 C GLN A 825 -7.673 -6.408 3.914 1.00 0.00 C ATOM 619 O GLN A 825 -6.521 -5.984 3.816 1.00 0.00 O ATOM 620 CB GLN A 825 -8.471 -8.243 2.399 1.00 0.00 C ATOM 621 CG GLN A 825 -8.749 -9.725 2.200 1.00 0.00 C ATOM 622 CD GLN A 825 -7.502 -10.581 2.334 1.00 0.00 C ATOM 623 OE1 GLN A 825 -6.397 -10.158 1.988 1.00 0.00 O ATOM 624 NE2 GLN A 825 -7.666 -11.786 2.850 1.00 0.00 N ATOM 0 H GLN A 825 -9.826 -8.655 4.413 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.039 -8.448 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.384 -7.680 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -7.732 -7.918 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -9.489 -10.052 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.185 -9.879 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -8.597 -12.101 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -6.862 -12.401 2.974 1.00 0.00 H new ATOM 633 N ALA A 826 -8.720 -5.615 4.121 1.00 0.00 N ATOM 634 CA ALA A 826 -8.569 -4.180 4.333 1.00 0.00 C ATOM 635 C ALA A 826 -7.677 -3.890 5.538 1.00 0.00 C ATOM 636 O ALA A 826 -6.853 -2.976 5.500 1.00 0.00 O ATOM 637 CB ALA A 826 -9.928 -3.524 4.512 1.00 0.00 C ATOM 0 H ALA A 826 -9.685 -5.944 4.146 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.089 -3.760 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.797 -2.453 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.532 -3.689 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.431 -3.959 5.376 1.00 0.00 H new ATOM 643 N ARG A 827 -7.839 -4.673 6.605 1.00 0.00 N ATOM 644 CA ARG A 827 -7.012 -4.521 7.798 1.00 0.00 C ATOM 645 C ARG A 827 -5.552 -4.799 7.469 1.00 0.00 C ATOM 646 O ARG A 827 -4.660 -4.087 7.924 1.00 0.00 O ATOM 647 CB ARG A 827 -7.460 -5.459 8.921 1.00 0.00 C ATOM 648 CG ARG A 827 -8.891 -5.241 9.377 1.00 0.00 C ATOM 649 CD ARG A 827 -9.207 -6.069 10.608 1.00 0.00 C ATOM 650 NE ARG A 827 -10.627 -6.037 10.944 1.00 0.00 N ATOM 651 CZ ARG A 827 -11.158 -5.238 11.866 1.00 0.00 C ATOM 652 NH1 ARG A 827 -10.396 -4.361 12.512 1.00 0.00 N ATOM 653 NH2 ARG A 827 -12.457 -5.310 12.133 1.00 0.00 N ATOM 0 H ARG A 827 -8.534 -5.417 6.666 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.126 -3.493 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.350 -6.490 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.794 -5.330 9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -9.049 -4.185 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.576 -5.506 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.899 -7.101 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -8.627 -5.697 11.453 1.00 0.00 H new ATOM 0 HE ARG A 827 -11.252 -6.667 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -9.400 -4.299 12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.807 -3.751 13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -13.044 -5.976 11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -12.867 -4.699 12.839 1.00 0.00 H new ATOM 667 N ILE A 828 -5.322 -5.840 6.674 1.00 0.00 N ATOM 668 CA ILE A 828 -3.978 -6.186 6.234 1.00 0.00 C ATOM 669 C ILE A 828 -3.369 -5.026 5.453 1.00 0.00 C ATOM 670 O ILE A 828 -2.219 -4.655 5.674 1.00 0.00 O ATOM 671 CB ILE A 828 -3.975 -7.458 5.355 1.00 0.00 C ATOM 672 CG1 ILE A 828 -4.604 -8.628 6.116 1.00 0.00 C ATOM 673 CG2 ILE A 828 -2.555 -7.808 4.925 1.00 0.00 C ATOM 674 CD1 ILE A 828 -4.753 -9.888 5.289 1.00 0.00 C ATOM 0 H ILE A 828 -6.052 -6.459 6.322 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.381 -6.387 7.124 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.567 -7.263 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -3.993 -8.850 6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -5.586 -8.326 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -2.573 -8.706 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.134 -6.982 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -1.941 -7.987 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.206 -10.671 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.389 -9.685 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.772 -10.216 4.946 1.00 0.00 H new ATOM 686 N LEU A 829 -4.162 -4.447 4.555 1.00 0.00 N ATOM 687 CA LEU A 829 -3.729 -3.284 3.787 1.00 0.00 C ATOM 688 C LEU A 829 -3.388 -2.122 4.706 1.00 0.00 C ATOM 689 O LEU A 829 -2.345 -1.491 4.552 1.00 0.00 O ATOM 690 CB LEU A 829 -4.808 -2.849 2.797 1.00 0.00 C ATOM 691 CG LEU A 829 -5.002 -3.773 1.602 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.101 -3.241 0.701 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.701 -3.915 0.831 1.00 0.00 C ATOM 0 H LEU A 829 -5.108 -4.764 4.342 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.836 -3.573 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.755 -2.766 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.561 -1.853 2.430 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.298 -4.758 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.230 -3.910 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.034 -3.182 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.829 -2.248 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -3.853 -4.578 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.380 -2.936 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.935 -4.333 1.484 1.00 0.00 H new ATOM 705 N ALA A 830 -4.271 -1.848 5.658 1.00 0.00 N ATOM 706 CA ALA A 830 -4.049 -0.778 6.623 1.00 0.00 C ATOM 707 C ALA A 830 -2.756 -1.008 7.393 1.00 0.00 C ATOM 708 O ALA A 830 -1.898 -0.133 7.448 1.00 0.00 O ATOM 709 CB ALA A 830 -5.225 -0.675 7.581 1.00 0.00 C ATOM 0 H ALA A 830 -5.149 -2.352 5.783 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.961 0.162 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -5.043 0.128 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -6.135 -0.463 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.341 -1.617 8.117 1.00 0.00 H new ATOM 715 N GLN A 831 -2.620 -2.203 7.955 1.00 0.00 N ATOM 716 CA GLN A 831 -1.444 -2.572 8.736 1.00 0.00 C ATOM 717 C GLN A 831 -0.175 -2.456 7.893 1.00 0.00 C ATOM 718 O GLN A 831 0.813 -1.851 8.317 1.00 0.00 O ATOM 719 CB GLN A 831 -1.607 -4.000 9.255 1.00 0.00 C ATOM 720 CG GLN A 831 -0.486 -4.466 10.166 1.00 0.00 C ATOM 721 CD GLN A 831 -0.695 -5.889 10.632 1.00 0.00 C ATOM 722 OE1 GLN A 831 -1.326 -6.131 11.662 1.00 0.00 O ATOM 723 NE2 GLN A 831 -0.174 -6.840 9.877 1.00 0.00 N ATOM 0 H GLN A 831 -3.319 -2.942 7.883 1.00 0.00 H new ATOM 0 HA GLN A 831 -1.351 -1.888 9.580 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.551 -4.072 9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.673 -4.678 8.404 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.465 -4.392 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 831 -0.423 -3.806 11.031 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.341 -6.595 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.287 -7.819 10.140 1.00 0.00 H new ATOM 732 N ALA A 832 -0.223 -3.021 6.692 1.00 0.00 N ATOM 733 CA ALA A 832 0.902 -2.977 5.770 1.00 0.00 C ATOM 734 C ALA A 832 1.254 -1.545 5.408 1.00 0.00 C ATOM 735 O ALA A 832 2.427 -1.164 5.419 1.00 0.00 O ATOM 736 CB ALA A 832 0.584 -3.764 4.514 1.00 0.00 C ATOM 0 H ALA A 832 -1.038 -3.519 6.333 1.00 0.00 H new ATOM 0 HA ALA A 832 1.762 -3.428 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.434 -3.722 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.380 -4.802 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.292 -3.334 4.027 1.00 0.00 H new ATOM 742 N THR A 833 0.234 -0.756 5.100 1.00 0.00 N ATOM 743 CA THR A 833 0.429 0.638 4.752 1.00 0.00 C ATOM 744 C THR A 833 1.021 1.406 5.925 1.00 0.00 C ATOM 745 O THR A 833 1.912 2.230 5.747 1.00 0.00 O ATOM 746 CB THR A 833 -0.890 1.311 4.322 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.423 0.659 3.164 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.674 2.787 4.033 1.00 0.00 C ATOM 0 H THR A 833 -0.739 -1.062 5.085 1.00 0.00 H new ATOM 0 HA THR A 833 1.121 0.661 3.910 1.00 0.00 H new ATOM 0 HB THR A 833 -1.602 1.220 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.832 -0.192 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.618 3.241 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 833 -0.303 3.283 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.055 2.898 3.230 1.00 0.00 H new ATOM 756 N SER A 834 0.541 1.104 7.124 1.00 0.00 N ATOM 757 CA SER A 834 1.005 1.796 8.324 1.00 0.00 C ATOM 758 C SER A 834 2.508 1.611 8.496 1.00 0.00 C ATOM 759 O SER A 834 3.241 2.565 8.754 1.00 0.00 O ATOM 760 CB SER A 834 0.267 1.287 9.563 1.00 0.00 C ATOM 761 OG SER A 834 -1.129 1.523 9.463 1.00 0.00 O ATOM 0 H SER A 834 -0.166 0.389 7.294 1.00 0.00 H new ATOM 0 HA SER A 834 0.792 2.859 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 834 0.450 0.219 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 834 0.659 1.782 10.452 1.00 0.00 H new ATOM 0 HG SER A 834 -1.505 0.965 8.751 1.00 0.00 H new ATOM 767 N ASP A 835 2.962 0.377 8.323 1.00 0.00 N ATOM 768 CA ASP A 835 4.380 0.068 8.423 1.00 0.00 C ATOM 769 C ASP A 835 5.144 0.689 7.261 1.00 0.00 C ATOM 770 O ASP A 835 6.266 1.170 7.426 1.00 0.00 O ATOM 771 CB ASP A 835 4.590 -1.446 8.449 1.00 0.00 C ATOM 772 CG ASP A 835 6.054 -1.832 8.457 1.00 0.00 C ATOM 773 OD1 ASP A 835 6.740 -1.555 9.461 1.00 0.00 O ATOM 774 OD2 ASP A 835 6.529 -2.411 7.458 1.00 0.00 O ATOM 0 H ASP A 835 2.368 -0.425 8.113 1.00 0.00 H new ATOM 0 HA ASP A 835 4.763 0.490 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.104 -1.861 9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 835 4.106 -1.891 7.580 1.00 0.00 H new ATOM 779 N LEU A 836 4.518 0.703 6.091 1.00 0.00 N ATOM 780 CA LEU A 836 5.148 1.242 4.895 1.00 0.00 C ATOM 781 C LEU A 836 5.322 2.755 5.000 1.00 0.00 C ATOM 782 O LEU A 836 6.366 3.284 4.638 1.00 0.00 O ATOM 783 CB LEU A 836 4.333 0.888 3.648 1.00 0.00 C ATOM 784 CG LEU A 836 5.011 1.213 2.321 1.00 0.00 C ATOM 785 CD1 LEU A 836 6.348 0.514 2.246 1.00 0.00 C ATOM 786 CD2 LEU A 836 4.130 0.802 1.154 1.00 0.00 C ATOM 0 H LEU A 836 3.573 0.347 5.946 1.00 0.00 H new ATOM 0 HA LEU A 836 6.136 0.790 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 836 4.106 -0.178 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 836 3.381 1.418 3.692 1.00 0.00 H new ATOM 0 HG LEU A 836 5.170 2.290 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 836 6.829 0.749 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 836 6.981 0.851 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 836 6.200 -0.563 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 836 4.632 1.042 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 836 3.942 -0.271 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 836 3.183 1.339 1.206 1.00 0.00 H new ATOM 798 N VAL A 837 4.298 3.443 5.498 1.00 0.00 N ATOM 799 CA VAL A 837 4.363 4.890 5.689 1.00 0.00 C ATOM 800 C VAL A 837 5.552 5.262 6.561 1.00 0.00 C ATOM 801 O VAL A 837 6.344 6.136 6.207 1.00 0.00 O ATOM 802 CB VAL A 837 3.064 5.444 6.326 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.227 6.904 6.728 1.00 0.00 C ATOM 804 CG2 VAL A 837 1.897 5.293 5.364 1.00 0.00 C ATOM 0 H VAL A 837 3.412 3.022 5.777 1.00 0.00 H new ATOM 0 HA VAL A 837 4.480 5.339 4.702 1.00 0.00 H new ATOM 0 HB VAL A 837 2.859 4.865 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.299 7.265 7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.035 6.994 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 837 3.463 7.500 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 837 0.992 5.687 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.107 5.845 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 837 1.755 4.239 5.127 1.00 0.00 H new ATOM 814 N ASN A 838 5.685 4.577 7.690 1.00 0.00 N ATOM 815 CA ASN A 838 6.789 4.825 8.606 1.00 0.00 C ATOM 816 C ASN A 838 8.117 4.529 7.924 1.00 0.00 C ATOM 817 O ASN A 838 9.051 5.324 7.999 1.00 0.00 O ATOM 818 CB ASN A 838 6.658 3.968 9.869 1.00 0.00 C ATOM 819 CG ASN A 838 5.419 4.291 10.682 1.00 0.00 C ATOM 820 OD1 ASN A 838 4.939 5.425 10.689 1.00 0.00 O ATOM 821 ND2 ASN A 838 4.892 3.293 11.373 1.00 0.00 N ATOM 0 H ASN A 838 5.042 3.846 7.992 1.00 0.00 H new ATOM 0 HA ASN A 838 6.756 5.876 8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 838 6.635 2.916 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 838 7.541 4.112 10.491 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.057 3.449 11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 838 5.320 2.368 11.340 1.00 0.00 H new ATOM 828 N ALA A 839 8.184 3.390 7.241 1.00 0.00 N ATOM 829 CA ALA A 839 9.394 2.977 6.542 1.00 0.00 C ATOM 830 C ALA A 839 9.794 4.000 5.484 1.00 0.00 C ATOM 831 O ALA A 839 10.938 4.447 5.450 1.00 0.00 O ATOM 832 CB ALA A 839 9.201 1.609 5.906 1.00 0.00 C ATOM 0 H ALA A 839 7.408 2.733 7.157 1.00 0.00 H new ATOM 0 HA ALA A 839 10.199 2.914 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.114 1.316 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 839 8.972 0.877 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.378 1.652 5.193 1.00 0.00 H new ATOM 838 N ILE A 840 8.842 4.376 4.637 1.00 0.00 N ATOM 839 CA ILE A 840 9.088 5.333 3.565 1.00 0.00 C ATOM 840 C ILE A 840 9.542 6.681 4.122 1.00 0.00 C ATOM 841 O ILE A 840 10.542 7.241 3.680 1.00 0.00 O ATOM 842 CB ILE A 840 7.825 5.541 2.696 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.472 4.253 1.948 1.00 0.00 C ATOM 844 CG2 ILE A 840 8.021 6.686 1.714 1.00 0.00 C ATOM 845 CD1 ILE A 840 6.226 4.365 1.096 1.00 0.00 C ATOM 0 H ILE A 840 7.884 4.028 4.674 1.00 0.00 H new ATOM 0 HA ILE A 840 9.882 4.917 2.944 1.00 0.00 H new ATOM 0 HB ILE A 840 6.999 5.799 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.312 3.971 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.336 3.449 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.118 6.811 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.222 7.606 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.863 6.463 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 840 6.040 3.414 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.374 4.616 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.365 5.146 0.348 1.00 0.00 H new ATOM 857 N LYS A 841 8.815 7.184 5.107 1.00 0.00 N ATOM 858 CA LYS A 841 9.100 8.495 5.671 1.00 0.00 C ATOM 859 C LYS A 841 10.414 8.503 6.449 1.00 0.00 C ATOM 860 O LYS A 841 11.177 9.464 6.361 1.00 0.00 O ATOM 861 CB LYS A 841 7.934 8.949 6.549 1.00 0.00 C ATOM 862 CG LYS A 841 6.739 9.425 5.735 1.00 0.00 C ATOM 863 CD LYS A 841 5.479 9.545 6.576 1.00 0.00 C ATOM 864 CE LYS A 841 5.720 10.345 7.836 1.00 0.00 C ATOM 865 NZ LYS A 841 4.454 10.754 8.496 1.00 0.00 N ATOM 0 H LYS A 841 8.022 6.704 5.533 1.00 0.00 H new ATOM 0 HA LYS A 841 9.216 9.202 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 841 7.626 8.125 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 841 8.268 9.755 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 841 6.969 10.392 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 841 6.561 8.730 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 841 4.693 10.020 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 841 5.122 8.550 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 841 6.315 9.753 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 841 6.304 11.233 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.671 11.299 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.897 11.342 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.907 9.907 8.753 1.00 0.00 H new ATOM 879 N ALA A 842 10.691 7.434 7.183 1.00 0.00 N ATOM 880 CA ALA A 842 11.945 7.328 7.920 1.00 0.00 C ATOM 881 C ALA A 842 13.118 7.169 6.958 1.00 0.00 C ATOM 882 O ALA A 842 14.188 7.745 7.161 1.00 0.00 O ATOM 883 CB ALA A 842 11.900 6.165 8.899 1.00 0.00 C ATOM 0 H ALA A 842 10.069 6.632 7.285 1.00 0.00 H new ATOM 0 HA ALA A 842 12.084 8.248 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 842 12.846 6.106 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 842 11.087 6.318 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 842 11.734 5.236 8.353 1.00 0.00 H new ATOM 889 N ASP A 843 12.896 6.403 5.895 1.00 0.00 N ATOM 890 CA ASP A 843 13.921 6.178 4.884 1.00 0.00 C ATOM 891 C ASP A 843 14.169 7.456 4.095 1.00 0.00 C ATOM 892 O ASP A 843 15.287 7.727 3.665 1.00 0.00 O ATOM 893 CB ASP A 843 13.504 5.041 3.948 1.00 0.00 C ATOM 894 CG ASP A 843 14.523 4.756 2.866 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.587 4.192 3.183 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.270 5.107 1.694 1.00 0.00 O ATOM 0 H ASP A 843 12.013 5.927 5.712 1.00 0.00 H new ATOM 0 HA ASP A 843 14.848 5.892 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 843 13.344 4.136 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.551 5.293 3.483 1.00 0.00 H new ATOM 901 N ALA A 844 13.116 8.251 3.933 1.00 0.00 N ATOM 902 CA ALA A 844 13.218 9.542 3.264 1.00 0.00 C ATOM 903 C ALA A 844 14.102 10.497 4.054 1.00 0.00 C ATOM 904 O ALA A 844 14.812 11.319 3.474 1.00 0.00 O ATOM 905 CB ALA A 844 11.837 10.149 3.065 1.00 0.00 C ATOM 0 H ALA A 844 12.177 8.021 4.258 1.00 0.00 H new ATOM 0 HA ALA A 844 13.675 9.380 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 844 11.932 11.113 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.230 9.481 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.358 10.289 4.034 1.00 0.00 H new ATOM 911 N GLU A 845 14.058 10.383 5.377 1.00 0.00 N ATOM 912 CA GLU A 845 14.864 11.230 6.248 1.00 0.00 C ATOM 913 C GLU A 845 16.332 10.820 6.185 1.00 0.00 C ATOM 914 O GLU A 845 17.225 11.650 6.352 1.00 0.00 O ATOM 915 CB GLU A 845 14.360 11.155 7.691 1.00 0.00 C ATOM 916 CG GLU A 845 12.909 11.581 7.850 1.00 0.00 C ATOM 917 CD GLU A 845 12.417 11.475 9.278 1.00 0.00 C ATOM 918 OE1 GLU A 845 12.420 10.356 9.836 1.00 0.00 O ATOM 919 OE2 GLU A 845 11.998 12.504 9.848 1.00 0.00 O ATOM 0 H GLU A 845 13.471 9.710 5.870 1.00 0.00 H new ATOM 0 HA GLU A 845 14.772 12.259 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 845 14.472 10.133 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 845 14.987 11.787 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 845 12.798 12.610 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 845 12.282 10.963 7.208 1.00 0.00 H new ATOM 926 N GLY A 846 16.573 9.539 5.941 1.00 0.00 N ATOM 927 CA GLY A 846 17.933 9.056 5.801 1.00 0.00 C ATOM 928 C GLY A 846 18.433 9.190 4.379 1.00 0.00 C ATOM 929 O GLY A 846 19.640 9.184 4.132 1.00 0.00 O ATOM 0 H GLY A 846 15.851 8.826 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 846 18.588 9.614 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 846 17.981 8.011 6.106 1.00 0.00 H new ATOM 933 N GLU A 847 17.495 9.305 3.450 1.00 0.00 N ATOM 934 CA GLU A 847 17.803 9.472 2.040 1.00 0.00 C ATOM 935 C GLU A 847 18.580 10.764 1.810 1.00 0.00 C ATOM 936 O GLU A 847 18.119 11.849 2.169 1.00 0.00 O ATOM 937 CB GLU A 847 16.503 9.481 1.227 1.00 0.00 C ATOM 938 CG GLU A 847 16.702 9.642 -0.269 1.00 0.00 C ATOM 939 CD GLU A 847 17.462 8.487 -0.886 1.00 0.00 C ATOM 940 OE1 GLU A 847 18.708 8.522 -0.878 1.00 0.00 O ATOM 941 OE2 GLU A 847 16.820 7.544 -1.390 1.00 0.00 O ATOM 0 H GLU A 847 16.496 9.285 3.655 1.00 0.00 H new ATOM 0 HA GLU A 847 18.425 8.638 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 847 15.966 8.551 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 847 15.869 10.292 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 847 15.729 9.731 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.240 10.570 -0.462 1.00 0.00 H new ATOM 948 N SER A 848 19.760 10.644 1.222 1.00 0.00 N ATOM 949 CA SER A 848 20.591 11.800 0.946 1.00 0.00 C ATOM 950 C SER A 848 20.114 12.519 -0.313 1.00 0.00 C ATOM 951 O SER A 848 20.502 13.659 -0.578 1.00 0.00 O ATOM 952 CB SER A 848 22.050 11.374 0.797 1.00 0.00 C ATOM 953 OG SER A 848 22.196 10.371 -0.198 1.00 0.00 O ATOM 0 H SER A 848 20.162 9.754 0.927 1.00 0.00 H new ATOM 0 HA SER A 848 20.511 12.492 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 848 22.659 12.240 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.421 10.999 1.751 1.00 0.00 H new ATOM 0 HG SER A 848 23.140 10.119 -0.273 1.00 0.00 H new ATOM 959 N ASP A 849 19.262 11.849 -1.079 1.00 0.00 N ATOM 960 CA ASP A 849 18.721 12.423 -2.301 1.00 0.00 C ATOM 961 C ASP A 849 17.484 13.230 -1.966 1.00 0.00 C ATOM 962 O ASP A 849 16.394 12.677 -1.869 1.00 0.00 O ATOM 963 CB ASP A 849 18.348 11.331 -3.298 1.00 0.00 C ATOM 964 CG ASP A 849 18.210 11.854 -4.711 1.00 0.00 C ATOM 965 OD1 ASP A 849 17.325 12.702 -4.962 1.00 0.00 O ATOM 966 OD2 ASP A 849 18.972 11.397 -5.584 1.00 0.00 O ATOM 0 H ASP A 849 18.931 10.906 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 849 19.482 13.061 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 849 19.108 10.550 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.409 10.870 -2.992 1.00 0.00 H new ATOM 971 N LEU A 850 17.659 14.530 -1.788 1.00 0.00 N ATOM 972 CA LEU A 850 16.576 15.396 -1.333 1.00 0.00 C ATOM 973 C LEU A 850 15.379 15.314 -2.278 1.00 0.00 C ATOM 974 O LEU A 850 14.229 15.296 -1.840 1.00 0.00 O ATOM 975 CB LEU A 850 17.070 16.840 -1.228 1.00 0.00 C ATOM 976 CG LEU A 850 16.615 17.608 0.021 1.00 0.00 C ATOM 977 CD1 LEU A 850 15.100 17.717 0.077 1.00 0.00 C ATOM 978 CD2 LEU A 850 17.145 16.940 1.282 1.00 0.00 C ATOM 0 H LEU A 850 18.543 15.012 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 850 16.255 15.057 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 850 18.160 16.835 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 850 16.734 17.385 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 850 17.024 18.616 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.808 18.266 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.740 18.245 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.664 16.718 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.812 17.498 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.768 15.919 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 850 18.235 16.924 1.255 1.00 0.00 H new ATOM 990 N GLU A 851 15.656 15.234 -3.572 1.00 0.00 N ATOM 991 CA GLU A 851 14.603 15.180 -4.577 1.00 0.00 C ATOM 992 C GLU A 851 13.821 13.879 -4.470 1.00 0.00 C ATOM 993 O GLU A 851 12.595 13.862 -4.600 1.00 0.00 O ATOM 994 CB GLU A 851 15.201 15.321 -5.974 1.00 0.00 C ATOM 995 CG GLU A 851 15.970 16.613 -6.157 1.00 0.00 C ATOM 996 CD GLU A 851 15.093 17.835 -5.966 1.00 0.00 C ATOM 997 OE1 GLU A 851 14.477 18.286 -6.955 1.00 0.00 O ATOM 998 OE2 GLU A 851 15.010 18.348 -4.829 1.00 0.00 O ATOM 0 H GLU A 851 16.602 15.205 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 851 13.917 16.008 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 851 15.865 14.478 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 851 14.401 15.272 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 851 16.796 16.646 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 851 16.408 16.635 -7.155 1.00 0.00 H new ATOM 1005 N ASN A 852 14.535 12.792 -4.218 1.00 0.00 N ATOM 1006 CA ASN A 852 13.902 11.497 -4.036 1.00 0.00 C ATOM 1007 C ASN A 852 13.185 11.451 -2.689 1.00 0.00 C ATOM 1008 O ASN A 852 12.136 10.825 -2.560 1.00 0.00 O ATOM 1009 CB ASN A 852 14.938 10.371 -4.143 1.00 0.00 C ATOM 1010 CG ASN A 852 14.311 8.989 -4.107 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.840 8.482 -5.128 1.00 0.00 O ATOM 1012 ND2 ASN A 852 14.330 8.357 -2.946 1.00 0.00 N ATOM 0 H ASN A 852 15.552 12.782 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 852 13.165 11.351 -4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.499 10.486 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.653 10.462 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 852 13.946 7.415 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 852 14.729 8.811 -2.124 1.00 0.00 H new ATOM 1019 N SER A 853 13.742 12.147 -1.699 1.00 0.00 N ATOM 1020 CA SER A 853 13.111 12.259 -0.390 1.00 0.00 C ATOM 1021 C SER A 853 11.736 12.914 -0.513 1.00 0.00 C ATOM 1022 O SER A 853 10.777 12.493 0.133 1.00 0.00 O ATOM 1023 CB SER A 853 13.990 13.071 0.564 1.00 0.00 C ATOM 1024 OG SER A 853 15.264 12.474 0.714 1.00 0.00 O ATOM 0 H SER A 853 14.630 12.642 -1.781 1.00 0.00 H new ATOM 0 HA SER A 853 12.989 11.254 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 853 14.103 14.086 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.503 13.147 1.536 1.00 0.00 H new ATOM 0 HG SER A 853 15.745 12.511 -0.139 1.00 0.00 H new ATOM 1030 N ARG A 854 11.647 13.938 -1.363 1.00 0.00 N ATOM 1031 CA ARG A 854 10.380 14.626 -1.602 1.00 0.00 C ATOM 1032 C ARG A 854 9.350 13.652 -2.162 1.00 0.00 C ATOM 1033 O ARG A 854 8.180 13.679 -1.780 1.00 0.00 O ATOM 1034 CB ARG A 854 10.565 15.794 -2.576 1.00 0.00 C ATOM 1035 CG ARG A 854 11.635 16.784 -2.153 1.00 0.00 C ATOM 1036 CD ARG A 854 11.728 17.958 -3.114 1.00 0.00 C ATOM 1037 NE ARG A 854 12.952 18.733 -2.913 1.00 0.00 N ATOM 1038 CZ ARG A 854 13.054 19.786 -2.100 1.00 0.00 C ATOM 1039 NH1 ARG A 854 12.003 20.198 -1.399 1.00 0.00 N ATOM 1040 NH2 ARG A 854 14.212 20.417 -1.983 1.00 0.00 N ATOM 0 H ARG A 854 12.435 14.307 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 854 10.026 15.020 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.819 15.398 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 854 9.617 16.321 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 854 11.415 17.151 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 854 12.599 16.278 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 854 11.695 17.591 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 854 10.862 18.606 -2.980 1.00 0.00 H new ATOM 0 HE ARG A 854 13.784 18.449 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 854 11.112 19.709 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 854 12.087 21.004 -0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 854 15.023 20.098 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 854 14.294 21.222 -1.362 1.00 0.00 H new ATOM 1054 N LYS A 855 9.800 12.779 -3.060 1.00 0.00 N ATOM 1055 CA LYS A 855 8.929 11.772 -3.652 1.00 0.00 C ATOM 1056 C LYS A 855 8.445 10.792 -2.592 1.00 0.00 C ATOM 1057 O LYS A 855 7.280 10.406 -2.579 1.00 0.00 O ATOM 1058 CB LYS A 855 9.652 11.002 -4.758 1.00 0.00 C ATOM 1059 CG LYS A 855 10.063 11.852 -5.947 1.00 0.00 C ATOM 1060 CD LYS A 855 10.417 10.980 -7.143 1.00 0.00 C ATOM 1061 CE LYS A 855 11.579 10.048 -6.839 1.00 0.00 C ATOM 1062 NZ LYS A 855 11.701 8.971 -7.856 1.00 0.00 N ATOM 0 H LYS A 855 10.764 12.750 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 855 8.073 12.291 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 855 10.542 10.534 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 855 9.004 10.198 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 855 9.251 12.529 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 855 10.919 12.471 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 855 9.547 10.392 -7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 855 10.672 11.614 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 855 12.505 10.621 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 855 11.441 9.604 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 12.562 8.417 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 10.870 8.347 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 11.756 9.394 -8.805 1.00 0.00 H new ATOM 1076 N LEU A 856 9.353 10.398 -1.709 1.00 0.00 N ATOM 1077 CA LEU A 856 9.034 9.452 -0.650 1.00 0.00 C ATOM 1078 C LEU A 856 8.024 10.047 0.328 1.00 0.00 C ATOM 1079 O LEU A 856 7.012 9.420 0.645 1.00 0.00 O ATOM 1080 CB LEU A 856 10.310 9.037 0.087 1.00 0.00 C ATOM 1081 CG LEU A 856 11.365 8.343 -0.780 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.615 8.042 0.032 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.802 7.067 -1.380 1.00 0.00 C ATOM 0 H LEU A 856 10.320 10.721 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 856 8.584 8.569 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.757 9.924 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 856 10.038 8.370 0.905 1.00 0.00 H new ATOM 0 HG LEU A 856 11.639 9.017 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.351 7.549 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 856 13.032 8.973 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.359 7.388 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.564 6.586 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.500 6.391 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.937 7.307 -1.998 1.00 0.00 H new ATOM 1095 N LEU A 857 8.292 11.266 0.785 1.00 0.00 N ATOM 1096 CA LEU A 857 7.413 11.940 1.736 1.00 0.00 C ATOM 1097 C LEU A 857 6.000 12.090 1.179 1.00 0.00 C ATOM 1098 O LEU A 857 5.020 11.802 1.868 1.00 0.00 O ATOM 1099 CB LEU A 857 7.977 13.314 2.103 1.00 0.00 C ATOM 1100 CG LEU A 857 9.276 13.288 2.907 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.792 14.700 3.129 1.00 0.00 C ATOM 1102 CD2 LEU A 857 9.060 12.584 4.239 1.00 0.00 C ATOM 0 H LEU A 857 9.112 11.808 0.512 1.00 0.00 H new ATOM 0 HA LEU A 857 7.361 11.323 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 857 8.147 13.877 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 857 7.225 13.857 2.675 1.00 0.00 H new ATOM 0 HG LEU A 857 10.024 12.734 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.718 14.663 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.981 15.174 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 857 9.048 15.277 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.994 12.573 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 857 8.299 13.114 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.732 11.560 4.060 1.00 0.00 H new ATOM 1114 N SER A 858 5.901 12.528 -0.068 1.00 0.00 N ATOM 1115 CA SER A 858 4.605 12.715 -0.705 1.00 0.00 C ATOM 1116 C SER A 858 3.927 11.373 -0.971 1.00 0.00 C ATOM 1117 O SER A 858 2.712 11.250 -0.826 1.00 0.00 O ATOM 1118 CB SER A 858 4.764 13.507 -2.004 1.00 0.00 C ATOM 1119 OG SER A 858 5.805 12.970 -2.803 1.00 0.00 O ATOM 0 H SER A 858 6.700 12.760 -0.658 1.00 0.00 H new ATOM 0 HA SER A 858 3.968 13.282 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 858 3.827 13.490 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 858 4.979 14.551 -1.774 1.00 0.00 H new ATOM 0 HG SER A 858 6.633 13.469 -2.640 1.00 0.00 H new ATOM 1125 N ALA A 859 4.717 10.366 -1.335 1.00 0.00 N ATOM 1126 CA ALA A 859 4.186 9.033 -1.599 1.00 0.00 C ATOM 1127 C ALA A 859 3.510 8.465 -0.358 1.00 0.00 C ATOM 1128 O ALA A 859 2.400 7.944 -0.434 1.00 0.00 O ATOM 1129 CB ALA A 859 5.285 8.098 -2.077 1.00 0.00 C ATOM 0 H ALA A 859 5.727 10.448 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 859 3.440 9.119 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 859 4.865 7.110 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.722 8.490 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.057 8.023 -1.311 1.00 0.00 H new ATOM 1135 N ALA A 860 4.180 8.585 0.785 1.00 0.00 N ATOM 1136 CA ALA A 860 3.634 8.101 2.049 1.00 0.00 C ATOM 1137 C ALA A 860 2.357 8.855 2.408 1.00 0.00 C ATOM 1138 O ALA A 860 1.410 8.277 2.947 1.00 0.00 O ATOM 1139 CB ALA A 860 4.663 8.240 3.161 1.00 0.00 C ATOM 0 H ALA A 860 5.102 9.014 0.862 1.00 0.00 H new ATOM 0 HA ALA A 860 3.388 7.045 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.239 7.875 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.549 7.657 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 860 4.939 9.289 3.273 1.00 0.00 H new ATOM 1145 N LYS A 861 2.343 10.147 2.106 1.00 0.00 N ATOM 1146 CA LYS A 861 1.171 10.981 2.328 1.00 0.00 C ATOM 1147 C LYS A 861 -0.008 10.521 1.476 1.00 0.00 C ATOM 1148 O LYS A 861 -1.101 10.283 1.990 1.00 0.00 O ATOM 1149 CB LYS A 861 1.509 12.438 2.012 1.00 0.00 C ATOM 1150 CG LYS A 861 2.198 13.170 3.151 1.00 0.00 C ATOM 1151 CD LYS A 861 1.290 13.331 4.368 1.00 0.00 C ATOM 1152 CE LYS A 861 0.177 14.353 4.142 1.00 0.00 C ATOM 1153 NZ LYS A 861 -0.943 13.820 3.315 1.00 0.00 N ATOM 0 H LYS A 861 3.138 10.643 1.703 1.00 0.00 H new ATOM 0 HA LYS A 861 0.882 10.891 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.151 12.469 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 861 0.591 12.967 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 861 3.096 12.625 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 861 2.519 14.153 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 861 0.847 12.366 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 861 1.889 13.636 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -0.213 14.677 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 861 0.594 15.234 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -0.908 14.246 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -0.854 12.787 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 -1.850 14.055 3.766 1.00 0.00 H new ATOM 1167 N ILE A 862 0.227 10.396 0.177 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.814 9.993 -0.764 1.00 0.00 C ATOM 1169 C ILE A 862 -1.292 8.573 -0.473 1.00 0.00 C ATOM 1170 O ILE A 862 -2.492 8.284 -0.528 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.301 10.077 -2.220 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.136 11.507 -2.543 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.370 9.614 -3.200 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.829 11.643 -3.879 1.00 0.00 C ATOM 0 H ILE A 862 1.135 10.569 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.652 10.680 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 862 0.559 9.415 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.739 12.157 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.806 11.859 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.985 9.682 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.640 8.580 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.252 10.247 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 862 1.110 12.684 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.724 11.020 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 862 0.154 11.323 -4.673 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.347 7.698 -0.154 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.656 6.308 0.153 1.00 0.00 C ATOM 1188 C LEU A 863 -1.556 6.191 1.375 1.00 0.00 C ATOM 1189 O LEU A 863 -2.646 5.626 1.290 1.00 0.00 O ATOM 1190 CB LEU A 863 0.633 5.512 0.377 1.00 0.00 C ATOM 1191 CG LEU A 863 0.451 4.168 1.085 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.604 3.328 0.383 1.00 0.00 C ATOM 1193 CD2 LEU A 863 1.774 3.426 1.161 1.00 0.00 C ATOM 0 H LEU A 863 0.645 7.929 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 863 -1.191 5.894 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.105 5.335 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.322 6.122 0.961 1.00 0.00 H new ATOM 0 HG LEU A 863 0.107 4.357 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.717 2.377 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.555 3.860 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 863 -0.297 3.144 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 863 1.628 2.472 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.150 3.248 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.496 4.025 1.717 1.00 0.00 H new ATOM 1205 N ALA A 864 -1.106 6.737 2.498 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.815 6.587 3.765 1.00 0.00 C ATOM 1207 C ALA A 864 -3.268 7.033 3.654 1.00 0.00 C ATOM 1208 O ALA A 864 -4.147 6.501 4.335 1.00 0.00 O ATOM 1209 CB ALA A 864 -1.105 7.369 4.857 1.00 0.00 C ATOM 0 H ALA A 864 -0.251 7.290 2.558 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.815 5.528 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.642 7.250 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -0.088 6.994 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -1.075 8.425 4.587 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.525 7.989 2.776 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.869 8.509 2.609 1.00 0.00 C ATOM 1217 C ASP A 865 -5.694 7.631 1.686 1.00 0.00 C ATOM 1218 O ASP A 865 -6.898 7.454 1.894 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.831 9.947 2.088 1.00 0.00 C ATOM 1220 CG ASP A 865 -6.213 10.550 1.947 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.799 10.955 2.972 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -6.722 10.627 0.808 1.00 0.00 O ATOM 0 H ASP A 865 -2.824 8.418 2.172 1.00 0.00 H new ATOM 0 HA ASP A 865 -5.348 8.506 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -4.238 10.560 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -4.329 9.966 1.120 1.00 0.00 H new ATOM 1227 N ALA A 866 -5.047 7.072 0.678 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.708 6.136 -0.212 1.00 0.00 C ATOM 1229 C ALA A 866 -6.135 4.900 0.569 1.00 0.00 C ATOM 1230 O ALA A 866 -7.168 4.298 0.285 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.790 5.761 -1.362 1.00 0.00 C ATOM 0 H ALA A 866 -4.067 7.250 0.457 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.597 6.607 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -5.300 5.058 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.525 6.657 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.885 5.298 -0.969 1.00 0.00 H new ATOM 1237 N THR A 867 -5.341 4.546 1.571 1.00 0.00 N ATOM 1238 CA THR A 867 -5.660 3.434 2.447 1.00 0.00 C ATOM 1239 C THR A 867 -6.853 3.766 3.337 1.00 0.00 C ATOM 1240 O THR A 867 -7.740 2.941 3.521 1.00 0.00 O ATOM 1241 CB THR A 867 -4.455 3.062 3.326 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.272 3.058 2.526 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.646 1.694 3.962 1.00 0.00 C ATOM 0 H THR A 867 -4.466 5.019 1.796 1.00 0.00 H new ATOM 0 HA THR A 867 -5.914 2.583 1.814 1.00 0.00 H new ATOM 0 HB THR A 867 -4.364 3.800 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 867 -3.042 3.978 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.779 1.455 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.542 1.703 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.754 0.941 3.181 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.868 4.975 3.888 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.992 5.440 4.691 1.00 0.00 C ATOM 1253 C ALA A 868 -9.288 5.371 3.888 1.00 0.00 C ATOM 1254 O ALA A 868 -10.334 4.983 4.405 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.744 6.857 5.178 1.00 0.00 C ATOM 0 H ALA A 868 -6.111 5.652 3.792 1.00 0.00 H new ATOM 0 HA ALA A 868 -8.090 4.788 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.592 7.190 5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.840 6.880 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.622 7.520 4.321 1.00 0.00 H new ATOM 1261 N LYS A 869 -9.202 5.753 2.620 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.322 5.621 1.700 1.00 0.00 C ATOM 1263 C LYS A 869 -10.667 4.152 1.496 1.00 0.00 C ATOM 1264 O LYS A 869 -11.805 3.731 1.694 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.963 6.248 0.352 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.967 7.766 0.349 1.00 0.00 C ATOM 1267 CD LYS A 869 -11.379 8.312 0.226 1.00 0.00 C ATOM 1268 CE LYS A 869 -12.023 7.884 -1.086 1.00 0.00 C ATOM 1269 NZ LYS A 869 -11.285 8.404 -2.267 1.00 0.00 N ATOM 0 H LYS A 869 -8.363 6.159 2.205 1.00 0.00 H new ATOM 0 HA LYS A 869 -11.184 6.135 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -8.975 5.898 0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.668 5.893 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -9.510 8.135 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -9.359 8.132 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -11.982 7.959 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -11.357 9.400 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -12.060 6.796 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -13.053 8.240 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -11.859 8.266 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -11.093 9.418 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -10.385 7.892 -2.367 1.00 0.00 H new ATOM 1283 N MET A 870 -9.652 3.388 1.121 1.00 0.00 N ATOM 1284 CA MET A 870 -9.786 1.970 0.819 1.00 0.00 C ATOM 1285 C MET A 870 -10.404 1.187 1.974 1.00 0.00 C ATOM 1286 O MET A 870 -11.397 0.482 1.801 1.00 0.00 O ATOM 1287 CB MET A 870 -8.405 1.408 0.485 1.00 0.00 C ATOM 1288 CG MET A 870 -8.369 -0.097 0.349 1.00 0.00 C ATOM 1289 SD MET A 870 -9.552 -0.702 -0.859 1.00 0.00 S ATOM 1290 CE MET A 870 -9.148 -2.435 -0.821 1.00 0.00 C ATOM 0 H MET A 870 -8.700 3.739 1.016 1.00 0.00 H new ATOM 0 HA MET A 870 -10.460 1.864 -0.031 1.00 0.00 H new ATOM 0 HB2 MET A 870 -8.058 1.855 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.704 1.709 1.263 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.366 -0.409 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.577 -0.552 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 870 -9.909 -2.998 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.177 -2.593 -1.291 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.110 -2.777 0.213 1.00 0.00 H new ATOM 1300 N VAL A 871 -9.812 1.326 3.148 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.221 0.573 4.324 1.00 0.00 C ATOM 1302 C VAL A 871 -11.682 0.830 4.685 1.00 0.00 C ATOM 1303 O VAL A 871 -12.458 -0.110 4.857 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.299 0.901 5.517 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -9.878 0.404 6.832 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -7.928 0.292 5.287 1.00 0.00 C ATOM 0 H VAL A 871 -9.034 1.964 3.314 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.129 -0.487 4.086 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.213 1.985 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.199 0.655 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -10.844 0.878 7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -10.007 -0.677 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.280 0.526 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.022 -0.790 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.496 0.702 4.374 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.063 2.096 4.768 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.426 2.451 5.143 1.00 0.00 C ATOM 1318 C GLU A 872 -14.420 2.079 4.045 1.00 0.00 C ATOM 1319 O GLU A 872 -15.572 1.735 4.327 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.516 3.936 5.480 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.775 4.304 6.753 1.00 0.00 C ATOM 1322 CD GLU A 872 -12.952 5.757 7.131 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.113 6.209 7.233 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -11.933 6.455 7.324 1.00 0.00 O ATOM 0 H GLU A 872 -11.452 2.892 4.582 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.691 1.879 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.111 4.516 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.564 4.216 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -13.129 3.675 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -11.713 4.093 6.625 1.00 0.00 H new ATOM 1331 N ALA A 873 -13.972 2.133 2.797 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.800 1.711 1.677 1.00 0.00 C ATOM 1333 C ALA A 873 -15.050 0.210 1.752 1.00 0.00 C ATOM 1334 O ALA A 873 -16.185 -0.248 1.605 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.147 2.079 0.356 1.00 0.00 C ATOM 0 H ALA A 873 -13.043 2.464 2.537 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.757 2.230 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -14.783 1.754 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.012 3.159 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.177 1.588 0.280 1.00 0.00 H new ATOM 1341 N ALA A 874 -13.981 -0.544 1.996 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.060 -1.990 2.157 1.00 0.00 C ATOM 1343 C ALA A 874 -14.973 -2.360 3.319 1.00 0.00 C ATOM 1344 O ALA A 874 -15.840 -3.217 3.180 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.670 -2.573 2.369 1.00 0.00 C ATOM 0 H ALA A 874 -13.037 -0.168 2.087 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.484 -2.412 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.743 -3.654 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.044 -2.344 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.226 -2.139 3.265 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.779 -1.701 4.460 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.610 -1.936 5.640 1.00 0.00 C ATOM 1353 C LYS A 875 -17.084 -1.734 5.312 1.00 0.00 C ATOM 1354 O LYS A 875 -17.920 -2.584 5.623 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.204 -0.997 6.781 1.00 0.00 C ATOM 1356 CG LYS A 875 -13.828 -1.285 7.359 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.397 -0.209 8.347 1.00 0.00 C ATOM 1358 CE LYS A 875 -14.313 -0.145 9.562 1.00 0.00 C ATOM 1359 NZ LYS A 875 -14.257 -1.393 10.370 1.00 0.00 N ATOM 0 H LYS A 875 -14.052 -0.998 4.593 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.457 -2.968 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.226 0.030 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -15.944 -1.069 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -13.838 -2.254 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.100 -1.350 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -12.376 -0.406 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -13.391 0.760 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -14.029 0.703 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -15.338 0.029 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -14.773 -1.252 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -14.694 -2.172 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -13.265 -1.629 10.577 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.390 -0.614 4.669 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.762 -0.305 4.324 1.00 0.00 C ATOM 1375 C GLY A 876 -19.341 -1.254 3.292 1.00 0.00 C ATOM 1376 O GLY A 876 -20.479 -1.698 3.429 1.00 0.00 O ATOM 0 H GLY A 876 -16.708 0.088 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.374 -0.339 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -18.814 0.715 3.942 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.556 -1.572 2.266 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.021 -2.425 1.176 1.00 0.00 C ATOM 1382 C ALA A 877 -19.179 -3.867 1.634 1.00 0.00 C ATOM 1383 O ALA A 877 -19.984 -4.624 1.092 1.00 0.00 O ATOM 1384 CB ALA A 877 -18.060 -2.353 0.001 1.00 0.00 C ATOM 0 H ALA A 877 -17.593 -1.251 2.167 1.00 0.00 H new ATOM 0 HA ALA A 877 -19.998 -2.060 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.420 -2.994 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -17.997 -1.325 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.072 -2.688 0.318 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.394 -4.243 2.627 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.452 -5.583 3.174 1.00 0.00 C ATOM 1392 C ALA A 878 -19.615 -5.723 4.142 1.00 0.00 C ATOM 1393 O ALA A 878 -20.517 -6.533 3.925 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.146 -5.925 3.867 1.00 0.00 C ATOM 0 H ALA A 878 -17.706 -3.635 3.072 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.607 -6.281 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.203 -6.935 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.328 -5.869 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -16.968 -5.218 4.677 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.590 -4.925 5.205 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.592 -5.018 6.257 1.00 0.00 C ATOM 1402 C ALA A 879 -21.981 -4.699 5.720 1.00 0.00 C ATOM 1403 O ALA A 879 -22.974 -5.269 6.167 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.231 -4.104 7.414 1.00 0.00 C ATOM 0 H ALA A 879 -18.884 -4.205 5.359 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.608 -6.044 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -20.990 -4.185 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.262 -4.396 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.181 -3.074 7.062 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.050 -3.772 4.774 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.280 -3.526 4.035 1.00 0.00 C ATOM 1412 C HIS A 880 -23.131 -4.081 2.625 1.00 0.00 C ATOM 1413 O HIS A 880 -22.789 -3.353 1.694 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.620 -2.033 3.996 1.00 0.00 C ATOM 1415 CG HIS A 880 -23.909 -1.458 5.345 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.266 -0.349 5.848 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -24.784 -1.847 6.302 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -23.729 -0.085 7.055 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -24.652 -0.979 7.355 1.00 0.00 N ATOM 0 H HIS A 880 -21.268 -3.178 4.500 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.103 -4.030 4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.788 -1.490 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.485 -1.881 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -25.461 -2.686 6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -23.407 0.726 7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -25.180 -1.018 8.227 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.390 -5.387 2.457 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.057 -6.115 1.228 1.00 0.00 C ATOM 1429 C PRO A 881 -23.799 -5.579 0.004 1.00 0.00 C ATOM 1430 O PRO A 881 -23.250 -5.507 -1.097 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.511 -7.553 1.519 1.00 0.00 C ATOM 1432 CG PRO A 881 -23.663 -7.630 2.999 1.00 0.00 C ATOM 1433 CD PRO A 881 -24.054 -6.253 3.441 1.00 0.00 C ATOM 0 HA PRO A 881 -21.997 -6.021 0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -24.451 -7.777 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.778 -8.276 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -24.423 -8.360 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.732 -7.943 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -25.136 -6.118 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.715 -6.044 4.456 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.057 -5.208 0.219 1.00 0.00 N ATOM 1442 CA ASP A 882 -25.953 -4.795 -0.857 1.00 0.00 C ATOM 1443 C ASP A 882 -25.680 -3.374 -1.341 1.00 0.00 C ATOM 1444 O ASP A 882 -26.172 -2.973 -2.399 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.405 -4.887 -0.387 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.720 -3.893 0.713 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -27.432 -4.189 1.894 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.252 -2.808 0.403 1.00 0.00 O ATOM 0 H ASP A 882 -25.485 -5.185 1.145 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.773 -5.471 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -28.070 -4.712 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -27.605 -5.897 -0.029 1.00 0.00 H new ATOM 1453 N SER A 883 -24.914 -2.610 -0.575 1.00 0.00 N ATOM 1454 CA SER A 883 -24.720 -1.198 -0.873 1.00 0.00 C ATOM 1455 C SER A 883 -23.910 -1.003 -2.151 1.00 0.00 C ATOM 1456 O SER A 883 -22.693 -1.186 -2.166 1.00 0.00 O ATOM 1457 CB SER A 883 -24.037 -0.490 0.294 1.00 0.00 C ATOM 1458 OG SER A 883 -23.928 0.903 0.044 1.00 0.00 O ATOM 0 H SER A 883 -24.419 -2.942 0.253 1.00 0.00 H new ATOM 0 HA SER A 883 -25.705 -0.757 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 883 -24.605 -0.656 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 883 -23.046 -0.914 0.453 1.00 0.00 H new ATOM 0 HG SER A 883 -24.267 1.402 0.817 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.601 -0.618 -3.217 1.00 0.00 N ATOM 1465 CA GLU A 884 -23.970 -0.369 -4.506 1.00 0.00 C ATOM 1466 C GLU A 884 -23.060 0.850 -4.414 1.00 0.00 C ATOM 1467 O GLU A 884 -22.027 0.928 -5.079 1.00 0.00 O ATOM 1468 CB GLU A 884 -25.044 -0.147 -5.571 1.00 0.00 C ATOM 1469 CG GLU A 884 -24.503 -0.007 -6.984 1.00 0.00 C ATOM 1470 CD GLU A 884 -23.863 -1.279 -7.490 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -24.589 -2.277 -7.681 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -22.634 -1.289 -7.712 1.00 0.00 O ATOM 0 H GLU A 884 -25.610 -0.470 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 884 -23.368 -1.234 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -25.744 -0.982 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -25.608 0.751 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -25.315 0.278 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -23.770 0.799 -7.010 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.450 1.795 -3.568 1.00 0.00 N ATOM 1480 CA GLU A 885 -22.669 3.003 -3.352 1.00 0.00 C ATOM 1481 C GLU A 885 -21.366 2.666 -2.638 1.00 0.00 C ATOM 1482 O GLU A 885 -20.306 3.186 -2.983 1.00 0.00 O ATOM 1483 CB GLU A 885 -23.463 4.029 -2.533 1.00 0.00 C ATOM 1484 CG GLU A 885 -24.648 4.649 -3.269 1.00 0.00 C ATOM 1485 CD GLU A 885 -25.753 3.657 -3.576 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -26.439 3.212 -2.631 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -25.940 3.317 -4.762 1.00 0.00 O ATOM 0 H GLU A 885 -24.308 1.746 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.442 3.439 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -23.827 3.547 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -22.788 4.826 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -25.056 5.461 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -24.296 5.090 -4.202 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.446 1.782 -1.651 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.256 1.336 -0.943 1.00 0.00 C ATOM 1496 C GLN A 886 -19.366 0.516 -1.861 1.00 0.00 C ATOM 1497 O GLN A 886 -18.142 0.626 -1.803 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.624 0.532 0.301 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.182 1.386 1.425 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.189 2.418 1.925 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -20.571 3.505 2.356 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -18.906 2.087 1.884 1.00 0.00 N ATOM 0 H GLN A 886 -22.317 1.363 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 886 -19.705 2.220 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.359 -0.226 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -19.740 0.005 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.083 1.893 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.478 0.742 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -18.626 1.176 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.199 2.743 2.217 1.00 0.00 H new ATOM 1511 N GLN A 887 -19.984 -0.297 -2.713 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.244 -1.045 -3.720 1.00 0.00 C ATOM 1513 C GLN A 887 -18.497 -0.080 -4.631 1.00 0.00 C ATOM 1514 O GLN A 887 -17.316 -0.269 -4.913 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.175 -1.930 -4.556 1.00 0.00 C ATOM 1516 CG GLN A 887 -20.896 -3.008 -3.759 1.00 0.00 C ATOM 1517 CD GLN A 887 -19.951 -3.935 -3.019 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -18.822 -4.168 -3.451 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.410 -4.471 -1.899 1.00 0.00 N ATOM 0 H GLN A 887 -20.992 -0.453 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.534 -1.693 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.917 -1.298 -5.044 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.593 -2.406 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.566 -2.534 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -21.517 -3.596 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.352 -4.251 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -19.821 -5.104 -1.358 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.193 0.970 -5.066 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.586 2.008 -5.893 1.00 0.00 C ATOM 1530 C GLN A 888 -17.390 2.629 -5.187 1.00 0.00 C ATOM 1531 O GLN A 888 -16.308 2.746 -5.767 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.600 3.102 -6.226 1.00 0.00 C ATOM 1533 CG GLN A 888 -18.991 4.246 -7.019 1.00 0.00 C ATOM 1534 CD GLN A 888 -19.957 5.381 -7.274 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -20.878 5.625 -6.492 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -19.736 6.097 -8.362 1.00 0.00 N ATOM 0 H GLN A 888 -20.180 1.123 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.252 1.538 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.422 2.668 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -20.024 3.492 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -18.124 4.630 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.630 3.865 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -18.961 5.858 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -20.340 6.889 -8.583 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.592 3.033 -3.934 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.522 3.609 -3.131 1.00 0.00 C ATOM 1547 C ARG A 889 -15.329 2.671 -3.088 1.00 0.00 C ATOM 1548 O ARG A 889 -14.196 3.087 -3.292 1.00 0.00 O ATOM 1549 CB ARG A 889 -16.995 3.900 -1.706 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.025 5.011 -1.608 1.00 0.00 C ATOM 1551 CD ARG A 889 -18.426 5.265 -0.163 1.00 0.00 C ATOM 1552 NE ARG A 889 -17.285 5.670 0.660 1.00 0.00 N ATOM 1553 CZ ARG A 889 -17.258 5.595 1.990 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -18.299 5.112 2.653 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -16.188 6.000 2.658 1.00 0.00 N ATOM 0 H ARG A 889 -18.490 2.971 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.227 4.549 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.418 2.989 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.132 4.165 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -17.620 5.925 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.907 4.745 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -19.190 6.041 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.871 4.362 0.254 1.00 0.00 H new ATOM 0 HE ARG A 889 -16.458 6.033 0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -19.125 4.796 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -18.274 5.056 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -15.382 6.370 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -16.170 5.941 3.676 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.605 1.396 -2.842 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.562 0.384 -2.758 1.00 0.00 C ATOM 1571 C LEU A 890 -13.819 0.241 -4.081 1.00 0.00 C ATOM 1572 O LEU A 890 -12.592 0.240 -4.110 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.168 -0.956 -2.344 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.184 -2.121 -2.271 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.064 -1.816 -1.288 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.908 -3.396 -1.874 1.00 0.00 C ATOM 0 H LEU A 890 -16.549 1.038 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 890 -13.842 0.701 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.639 -0.837 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.958 -1.213 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.743 -2.264 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.373 -2.658 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.529 -0.923 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.485 -1.648 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.195 -4.219 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.374 -3.261 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.676 -3.624 -2.614 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.566 0.124 -5.172 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.974 -0.036 -6.498 1.00 0.00 C ATOM 1590 C ARG A 891 -13.058 1.137 -6.835 1.00 0.00 C ATOM 1591 O ARG A 891 -11.975 0.951 -7.391 1.00 0.00 O ATOM 1592 CB ARG A 891 -15.072 -0.174 -7.552 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.911 -1.428 -7.378 1.00 0.00 C ATOM 1594 CD ARG A 891 -17.120 -1.425 -8.293 1.00 0.00 C ATOM 1595 NE ARG A 891 -17.951 -2.610 -8.097 1.00 0.00 N ATOM 1596 CZ ARG A 891 -19.278 -2.588 -7.997 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -19.945 -1.441 -8.084 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -19.941 -3.719 -7.818 1.00 0.00 N ATOM 0 H ARG A 891 -15.586 0.137 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.371 -0.944 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.722 0.700 -7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.617 -0.183 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -15.300 -2.306 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -16.239 -1.505 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.714 -0.530 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -16.790 -1.380 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 891 -17.483 -3.514 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -19.440 -0.567 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -20.962 -1.435 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -19.435 -4.603 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -20.958 -3.707 -7.741 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.495 2.341 -6.487 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.702 3.539 -6.714 1.00 0.00 C ATOM 1614 C GLU A 892 -11.509 3.594 -5.756 1.00 0.00 C ATOM 1615 O GLU A 892 -10.374 3.834 -6.175 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.571 4.788 -6.543 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.640 4.952 -7.611 1.00 0.00 C ATOM 1618 CD GLU A 892 -14.065 5.197 -8.993 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -13.074 5.945 -9.106 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -14.594 4.634 -9.971 1.00 0.00 O ATOM 0 H GLU A 892 -14.398 2.512 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 892 -12.321 3.507 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -14.052 4.752 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.928 5.668 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -15.261 4.057 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -15.290 5.784 -7.341 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.773 3.348 -4.475 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.755 3.461 -3.436 1.00 0.00 C ATOM 1629 C ALA A 893 -9.664 2.410 -3.586 1.00 0.00 C ATOM 1630 O ALA A 893 -8.486 2.709 -3.407 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.391 3.358 -2.058 1.00 0.00 C ATOM 0 H ALA A 893 -12.691 3.067 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.288 4.439 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.619 3.444 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.118 4.161 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -11.893 2.395 -1.960 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.055 1.183 -3.919 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.097 0.092 -4.062 1.00 0.00 C ATOM 1639 C ALA A 894 -8.091 0.386 -5.165 1.00 0.00 C ATOM 1640 O ALA A 894 -6.909 0.075 -5.034 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.808 -1.228 -4.323 1.00 0.00 C ATOM 0 H ALA A 894 -11.025 0.920 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.552 0.005 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.071 -2.024 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.473 -1.454 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.390 -1.152 -5.241 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.555 1.004 -6.244 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.663 1.375 -7.331 1.00 0.00 C ATOM 1649 C GLU A 895 -6.787 2.550 -6.922 1.00 0.00 C ATOM 1650 O GLU A 895 -5.619 2.616 -7.289 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.439 1.713 -8.600 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.220 0.541 -9.160 1.00 0.00 C ATOM 1653 CD GLU A 895 -9.519 0.696 -10.633 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -10.486 1.414 -10.971 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -8.796 0.109 -11.461 1.00 0.00 O ATOM 0 H GLU A 895 -9.533 1.256 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.027 0.516 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.128 2.531 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.742 2.071 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -8.654 -0.377 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -10.156 0.437 -8.611 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.358 3.472 -6.153 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.584 4.579 -5.624 1.00 0.00 C ATOM 1664 C GLY A 896 -5.493 4.096 -4.687 1.00 0.00 C ATOM 1665 O GLY A 896 -4.349 4.545 -4.765 1.00 0.00 O ATOM 0 H GLY A 896 -8.343 3.472 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -6.138 5.138 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -7.244 5.265 -5.093 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.858 3.171 -3.805 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.914 2.538 -2.891 1.00 0.00 C ATOM 1671 C LEU A 897 -3.836 1.804 -3.684 1.00 0.00 C ATOM 1672 O LEU A 897 -2.640 1.967 -3.426 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.680 1.581 -1.955 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.864 0.859 -0.867 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.185 -0.381 -1.422 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.834 1.795 -0.251 1.00 0.00 C ATOM 0 H LEU A 897 -6.817 2.839 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.419 3.293 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.470 2.149 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.167 0.824 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.558 0.546 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.616 -0.869 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.939 -1.069 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.511 -0.096 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.270 1.262 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -3.152 2.146 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -4.341 2.648 0.200 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.272 1.006 -4.652 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.362 0.277 -5.525 1.00 0.00 C ATOM 1690 C ARG A 898 -2.400 1.244 -6.210 1.00 0.00 C ATOM 1691 O ARG A 898 -1.189 1.052 -6.177 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.157 -0.503 -6.575 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.303 -1.389 -7.467 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.115 -1.946 -8.623 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.586 -0.883 -9.511 1.00 0.00 N ATOM 1696 CZ ARG A 898 -5.810 -0.827 -10.034 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -6.698 -1.779 -9.769 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -6.153 0.187 -10.814 1.00 0.00 N ATOM 0 H ARG A 898 -5.259 0.847 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.784 -0.425 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -4.898 -1.122 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.704 0.203 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.460 -0.816 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -2.889 -2.209 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -3.507 -2.651 -9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -4.969 -2.501 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 898 -3.934 -0.135 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -6.444 -2.558 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -7.634 -1.730 -10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -5.480 0.926 -11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -7.090 0.229 -11.214 1.00 0.00 H new ATOM 1712 N MET A 899 -2.960 2.294 -6.802 1.00 0.00 N ATOM 1713 CA MET A 899 -2.182 3.306 -7.509 1.00 0.00 C ATOM 1714 C MET A 899 -1.171 3.979 -6.586 1.00 0.00 C ATOM 1715 O MET A 899 0.007 4.081 -6.921 1.00 0.00 O ATOM 1716 CB MET A 899 -3.118 4.361 -8.102 1.00 0.00 C ATOM 1717 CG MET A 899 -2.396 5.512 -8.783 1.00 0.00 C ATOM 1718 SD MET A 899 -3.519 6.826 -9.300 1.00 0.00 S ATOM 1719 CE MET A 899 -4.193 7.330 -7.717 1.00 0.00 C ATOM 0 H MET A 899 -3.965 2.468 -6.805 1.00 0.00 H new ATOM 0 HA MET A 899 -1.633 2.808 -8.308 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.779 3.881 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.749 4.760 -7.308 1.00 0.00 H new ATOM 0 HG2 MET A 899 -1.651 5.923 -8.102 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.859 5.135 -9.653 1.00 0.00 H new ATOM 0 HE1 MET A 899 -4.269 8.417 -7.684 1.00 0.00 H new ATOM 0 HE2 MET A 899 -5.183 6.892 -7.587 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.537 6.988 -6.917 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.636 4.437 -5.427 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.775 5.132 -4.474 1.00 0.00 C ATOM 1731 C ALA A 900 0.379 4.242 -4.032 1.00 0.00 C ATOM 1732 O ALA A 900 1.533 4.672 -4.001 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.582 5.591 -3.270 1.00 0.00 C ATOM 0 H ALA A 900 -2.605 4.339 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.356 6.008 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -0.927 6.107 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.370 6.269 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -2.029 4.726 -2.780 1.00 0.00 H new ATOM 1739 N THR A 901 0.063 2.998 -3.712 1.00 0.00 N ATOM 1740 CA THR A 901 1.072 2.040 -3.298 1.00 0.00 C ATOM 1741 C THR A 901 2.016 1.719 -4.453 1.00 0.00 C ATOM 1742 O THR A 901 3.234 1.689 -4.285 1.00 0.00 O ATOM 1743 CB THR A 901 0.426 0.738 -2.804 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.581 1.035 -1.830 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.472 -0.180 -2.196 1.00 0.00 C ATOM 0 H THR A 901 -0.887 2.628 -3.731 1.00 0.00 H new ATOM 0 HA THR A 901 1.636 2.492 -2.482 1.00 0.00 H new ATOM 0 HB THR A 901 -0.030 0.232 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.385 1.368 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 901 0.995 -1.098 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.224 -0.422 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 901 1.949 0.320 -1.353 1.00 0.00 H new ATOM 1753 N ASN A 902 1.438 1.492 -5.625 1.00 0.00 N ATOM 1754 CA ASN A 902 2.201 1.194 -6.825 1.00 0.00 C ATOM 1755 C ASN A 902 3.154 2.346 -7.160 1.00 0.00 C ATOM 1756 O ASN A 902 4.292 2.127 -7.573 1.00 0.00 O ATOM 1757 CB ASN A 902 1.250 0.927 -7.996 1.00 0.00 C ATOM 1758 CG ASN A 902 1.960 0.815 -9.331 1.00 0.00 C ATOM 1759 OD1 ASN A 902 2.101 1.799 -10.055 1.00 0.00 O ATOM 1760 ND2 ASN A 902 2.411 -0.379 -9.665 1.00 0.00 N ATOM 0 H ASN A 902 0.428 1.510 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 902 2.799 0.301 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.701 0.005 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.515 1.731 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.897 -0.511 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 902 2.274 -1.170 -9.036 1.00 0.00 H new ATOM 1767 N ALA A 903 2.681 3.575 -6.971 1.00 0.00 N ATOM 1768 CA ALA A 903 3.497 4.761 -7.207 1.00 0.00 C ATOM 1769 C ALA A 903 4.671 4.810 -6.236 1.00 0.00 C ATOM 1770 O ALA A 903 5.805 5.092 -6.630 1.00 0.00 O ATOM 1771 CB ALA A 903 2.654 6.021 -7.089 1.00 0.00 C ATOM 0 H ALA A 903 1.733 3.775 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 903 3.894 4.706 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.280 6.895 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 903 1.851 5.992 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 903 2.226 6.080 -6.088 1.00 0.00 H new ATOM 1777 N ALA A 904 4.394 4.525 -4.969 1.00 0.00 N ATOM 1778 CA ALA A 904 5.439 4.465 -3.953 1.00 0.00 C ATOM 1779 C ALA A 904 6.420 3.341 -4.269 1.00 0.00 C ATOM 1780 O ALA A 904 7.620 3.458 -4.022 1.00 0.00 O ATOM 1781 CB ALA A 904 4.825 4.267 -2.574 1.00 0.00 C ATOM 0 H ALA A 904 3.455 4.332 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 904 5.984 5.409 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.617 4.224 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 904 4.158 5.100 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 904 4.260 3.335 -2.558 1.00 0.00 H new ATOM 1787 N ALA A 905 5.893 2.261 -4.833 1.00 0.00 N ATOM 1788 CA ALA A 905 6.703 1.120 -5.238 1.00 0.00 C ATOM 1789 C ALA A 905 7.670 1.502 -6.356 1.00 0.00 C ATOM 1790 O ALA A 905 8.779 0.980 -6.441 1.00 0.00 O ATOM 1791 CB ALA A 905 5.801 -0.024 -5.682 1.00 0.00 C ATOM 0 H ALA A 905 4.897 2.152 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 905 7.294 0.796 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 905 6.413 -0.874 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.153 -0.318 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.190 0.300 -6.525 1.00 0.00 H new ATOM 1797 N GLN A 906 7.246 2.427 -7.211 1.00 0.00 N ATOM 1798 CA GLN A 906 8.086 2.896 -8.309 1.00 0.00 C ATOM 1799 C GLN A 906 9.211 3.788 -7.792 1.00 0.00 C ATOM 1800 O GLN A 906 10.266 3.895 -8.418 1.00 0.00 O ATOM 1801 CB GLN A 906 7.251 3.660 -9.338 1.00 0.00 C ATOM 1802 CG GLN A 906 6.229 2.800 -10.064 1.00 0.00 C ATOM 1803 CD GLN A 906 5.408 3.593 -11.062 1.00 0.00 C ATOM 1804 OE1 GLN A 906 5.780 3.721 -12.230 1.00 0.00 O ATOM 1805 NE2 GLN A 906 4.284 4.123 -10.614 1.00 0.00 N ATOM 0 H GLN A 906 6.327 2.867 -7.165 1.00 0.00 H new ATOM 0 HA GLN A 906 8.526 2.022 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 906 6.733 4.477 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 906 7.920 4.110 -10.072 1.00 0.00 H new ATOM 0 HG2 GLN A 906 6.743 1.990 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 906 5.563 2.339 -9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 906 4.012 3.994 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 906 3.688 4.662 -11.243 1.00 0.00 H new ATOM 1814 N ASN A 907 8.985 4.417 -6.647 1.00 0.00 N ATOM 1815 CA ASN A 907 9.972 5.321 -6.061 1.00 0.00 C ATOM 1816 C ASN A 907 10.981 4.569 -5.201 1.00 0.00 C ATOM 1817 O ASN A 907 11.960 5.148 -4.729 1.00 0.00 O ATOM 1818 CB ASN A 907 9.288 6.410 -5.231 1.00 0.00 C ATOM 1819 CG ASN A 907 8.708 7.517 -6.091 1.00 0.00 C ATOM 1820 OD1 ASN A 907 9.222 7.814 -7.172 1.00 0.00 O ATOM 1821 ND2 ASN A 907 7.640 8.143 -5.617 1.00 0.00 N ATOM 0 H ASN A 907 8.127 4.320 -6.103 1.00 0.00 H new ATOM 0 HA ASN A 907 10.510 5.789 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 907 8.493 5.962 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 907 10.008 6.836 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 907 7.214 8.900 -6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 907 7.244 7.867 -4.718 1.00 0.00 H new ATOM 1828 N ALA A 908 10.741 3.282 -4.997 1.00 0.00 N ATOM 1829 CA ALA A 908 11.647 2.456 -4.216 1.00 0.00 C ATOM 1830 C ALA A 908 12.906 2.147 -5.015 1.00 0.00 C ATOM 1831 O ALA A 908 12.856 1.387 -5.984 1.00 0.00 O ATOM 1832 CB ALA A 908 10.958 1.170 -3.791 1.00 0.00 C ATOM 0 H ALA A 908 9.926 2.788 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 908 11.933 3.007 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 908 11.650 0.563 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.084 1.409 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 908 10.646 0.615 -4.676 1.00 0.00 H new