USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 902 ASN : amide:sc= 0.143 K(o=0.91,f=-1.6!) USER MOD Set 1.2: A 906 GLN : amide:sc= 0.77 K(o=0.91,f=-1) USER MOD Set 2.1: A 833 THR OG1 : rot -163:sc= 0.275 USER MOD Set 2.2: A 867 THR OG1 : rot 70:sc= -0.543! USER MOD Set 3.1: A 852 ASN : amide:sc= 0.555 K(o=0.64,f=-3.9!) USER MOD Set 3.2: A 855 LYS NZ :NH3+ 144:sc= 0.0838 (180deg=0) USER MOD Set 4.1: A 816 MET CE :methyl -140:sc= -0.301 (180deg=-1.49) USER MOD Set 4.2: A 822 MET CE :methyl 150:sc= -0.107 (180deg=-0.617) USER MOD Set 4.3: A 887 GLN : amide:sc= -0.0198 K(o=-0.43,f=-1.4) USER MOD Single : A 798 TYR OH : rot -88:sc= 1.24 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 802 THR OG1 : rot -81:sc= -0.776 USER MOD Single : A 804 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 807 THR OG1 : rot 96:sc= 1.33 USER MOD Single : A 809 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 811 ASN : amide:sc= 1.06 K(o=1.1,f=-0.085) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 85:sc= 1.2 USER MOD Single : A 825 GLN : amide:sc= -4.49! K(o=-4.5!,f=-1.2) USER MOD Single : A 831 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 834 SER OG : rot 55:sc= 1.25 USER MOD Single : A 838 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.1) 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 853 SER OG : rot -81:sc= -0.586 USER MOD Single : A 858 SER OG : rot 84:sc= 1.22 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.16) USER MOD Single : A 870 MET CE :methyl -178:sc= -0.294 (180deg=-0.31) USER MOD Single : A 875 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.13) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 883 SER OG : rot -170:sc= -0.209 USER MOD Single : A 886 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.038) USER MOD Single : A 888 GLN : amide:sc= 0.0993 K(o=0.099,f=-2.4) USER MOD Single : A 899 MET CE :methyl 146:sc= -0.0851 (180deg=-0.763) USER MOD Single : A 901 THR OG1 : rot 71:sc= 0.695 USER MOD Single : A 907 ASN : amide:sc= 0.989 K(o=0.99,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 10.346 -2.041 0.687 1.00 0.00 N ATOM 220 CA TYR A 798 9.192 -1.563 -0.045 1.00 0.00 C ATOM 221 C TYR A 798 8.502 -2.715 -0.751 1.00 0.00 C ATOM 222 O TYR A 798 7.292 -2.886 -0.637 1.00 0.00 O ATOM 223 CB TYR A 798 9.614 -0.509 -1.075 1.00 0.00 C ATOM 224 CG TYR A 798 10.637 0.481 -0.560 1.00 0.00 C ATOM 225 CD1 TYR A 798 12.003 0.224 -0.643 1.00 0.00 C ATOM 226 CD2 TYR A 798 10.232 1.679 0.018 1.00 0.00 C ATOM 227 CE1 TYR A 798 12.930 1.135 -0.162 1.00 0.00 C ATOM 228 CE2 TYR A 798 11.147 2.590 0.498 1.00 0.00 C ATOM 229 CZ TYR A 798 12.542 2.287 0.367 1.00 0.00 C ATOM 230 OH TYR A 798 13.402 3.228 0.889 1.00 0.00 O ATOM 0 HA TYR A 798 8.498 -1.112 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 798 10.022 -1.014 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.730 0.036 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 798 12.345 -0.698 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 798 9.177 1.900 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 798 13.983 0.903 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 798 10.822 3.510 0.961 1.00 0.00 H new ATOM 0 HH TYR A 798 13.573 3.027 1.833 1.00 0.00 H new ATOM 240 N ASP A 799 9.297 -3.538 -1.425 1.00 0.00 N ATOM 241 CA ASP A 799 8.775 -4.575 -2.313 1.00 0.00 C ATOM 242 C ASP A 799 8.031 -5.651 -1.534 1.00 0.00 C ATOM 243 O ASP A 799 7.047 -6.200 -2.017 1.00 0.00 O ATOM 244 CB ASP A 799 9.909 -5.214 -3.121 1.00 0.00 C ATOM 245 CG ASP A 799 10.792 -6.120 -2.283 1.00 0.00 C ATOM 246 OD1 ASP A 799 11.355 -5.640 -1.273 1.00 0.00 O ATOM 247 OD2 ASP A 799 10.931 -7.311 -2.634 1.00 0.00 O ATOM 0 H ASP A 799 10.315 -3.508 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 799 8.073 -4.097 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 799 9.483 -5.789 -3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 799 10.520 -4.428 -3.564 1.00 0.00 H new ATOM 252 N GLN A 800 8.492 -5.948 -0.327 1.00 0.00 N ATOM 253 CA GLN A 800 7.819 -6.934 0.506 1.00 0.00 C ATOM 254 C GLN A 800 6.428 -6.445 0.881 1.00 0.00 C ATOM 255 O GLN A 800 5.447 -7.181 0.781 1.00 0.00 O ATOM 256 CB GLN A 800 8.626 -7.233 1.771 1.00 0.00 C ATOM 257 CG GLN A 800 9.995 -7.836 1.498 1.00 0.00 C ATOM 258 CD GLN A 800 10.707 -8.250 2.771 1.00 0.00 C ATOM 259 OE1 GLN A 800 10.498 -7.664 3.832 1.00 0.00 O ATOM 260 NE2 GLN A 800 11.550 -9.263 2.679 1.00 0.00 N ATOM 0 H GLN A 800 9.320 -5.526 0.094 1.00 0.00 H new ATOM 0 HA GLN A 800 7.732 -7.856 -0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 800 8.752 -6.310 2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 800 8.057 -7.917 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 800 9.884 -8.704 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 800 10.608 -7.112 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 800 11.697 -9.724 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 800 12.054 -9.584 3.506 1.00 0.00 H new ATOM 269 N ALA A 801 6.346 -5.187 1.283 1.00 0.00 N ATOM 270 CA ALA A 801 5.086 -4.603 1.702 1.00 0.00 C ATOM 271 C ALA A 801 4.169 -4.365 0.508 1.00 0.00 C ATOM 272 O ALA A 801 2.983 -4.682 0.560 1.00 0.00 O ATOM 273 CB ALA A 801 5.331 -3.306 2.456 1.00 0.00 C ATOM 0 H ALA A 801 7.141 -4.550 1.327 1.00 0.00 H new ATOM 0 HA ALA A 801 4.589 -5.307 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 801 4.377 -2.879 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 801 5.940 -3.507 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 801 5.852 -2.601 1.808 1.00 0.00 H new ATOM 279 N THR A 802 4.724 -3.831 -0.575 1.00 0.00 N ATOM 280 CA THR A 802 3.935 -3.508 -1.752 1.00 0.00 C ATOM 281 C THR A 802 3.404 -4.763 -2.427 1.00 0.00 C ATOM 282 O THR A 802 2.235 -4.817 -2.793 1.00 0.00 O ATOM 283 CB THR A 802 4.737 -2.681 -2.771 1.00 0.00 C ATOM 284 OG1 THR A 802 5.945 -3.364 -3.121 1.00 0.00 O ATOM 285 CG2 THR A 802 5.060 -1.308 -2.205 1.00 0.00 C ATOM 0 H THR A 802 5.717 -3.614 -0.659 1.00 0.00 H new ATOM 0 HA THR A 802 3.094 -2.909 -1.403 1.00 0.00 H new ATOM 0 HB THR A 802 4.130 -2.554 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.620 -3.210 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.628 -0.736 -2.939 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.133 -0.783 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 802 5.651 -1.419 -1.296 1.00 0.00 H new ATOM 293 N ASP A 803 4.257 -5.771 -2.579 1.00 0.00 N ATOM 294 CA ASP A 803 3.842 -7.032 -3.190 1.00 0.00 C ATOM 295 C ASP A 803 2.709 -7.649 -2.381 1.00 0.00 C ATOM 296 O ASP A 803 1.780 -8.241 -2.932 1.00 0.00 O ATOM 297 CB ASP A 803 5.021 -8.005 -3.277 1.00 0.00 C ATOM 298 CG ASP A 803 4.743 -9.180 -4.194 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.942 -9.045 -5.419 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.314 -10.244 -3.688 1.00 0.00 O ATOM 0 H ASP A 803 5.235 -5.742 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 803 3.491 -6.830 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 803 5.902 -7.471 -3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.255 -8.376 -2.279 1.00 0.00 H new ATOM 305 N THR A 804 2.783 -7.478 -1.065 1.00 0.00 N ATOM 306 CA THR A 804 1.716 -7.909 -0.182 1.00 0.00 C ATOM 307 C THR A 804 0.460 -7.067 -0.415 1.00 0.00 C ATOM 308 O THR A 804 -0.588 -7.602 -0.764 1.00 0.00 O ATOM 309 CB THR A 804 2.142 -7.817 1.301 1.00 0.00 C ATOM 310 OG1 THR A 804 3.289 -8.647 1.536 1.00 0.00 O ATOM 311 CG2 THR A 804 1.012 -8.251 2.225 1.00 0.00 C ATOM 0 H THR A 804 3.574 -7.043 -0.590 1.00 0.00 H new ATOM 0 HA THR A 804 1.497 -8.952 -0.410 1.00 0.00 H new ATOM 0 HB THR A 804 2.388 -6.777 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.097 -8.182 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.340 -8.176 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.147 -7.605 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 804 0.738 -9.283 2.005 1.00 0.00 H new ATOM 319 N ILE A 805 0.581 -5.751 -0.253 1.00 0.00 N ATOM 320 CA ILE A 805 -0.552 -4.837 -0.402 1.00 0.00 C ATOM 321 C ILE A 805 -1.220 -4.986 -1.770 1.00 0.00 C ATOM 322 O ILE A 805 -2.443 -5.080 -1.862 1.00 0.00 O ATOM 323 CB ILE A 805 -0.125 -3.365 -0.203 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.346 -3.128 1.235 1.00 0.00 C ATOM 325 CG2 ILE A 805 -1.267 -2.420 -0.551 1.00 0.00 C ATOM 326 CD1 ILE A 805 0.872 -1.732 1.481 1.00 0.00 C ATOM 0 H ILE A 805 1.460 -5.290 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 805 -1.269 -5.106 0.373 1.00 0.00 H new ATOM 0 HB ILE A 805 0.707 -3.160 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 805 -0.484 -3.319 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.128 -3.849 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.944 -1.389 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.555 -2.565 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -2.121 -2.628 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.187 -1.640 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 805 1.723 -1.543 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.086 -1.005 1.274 1.00 0.00 H new ATOM 338 N LEU A 806 -0.412 -5.022 -2.823 1.00 0.00 N ATOM 339 CA LEU A 806 -0.915 -5.163 -4.188 1.00 0.00 C ATOM 340 C LEU A 806 -1.773 -6.421 -4.325 1.00 0.00 C ATOM 341 O LEU A 806 -2.838 -6.398 -4.951 1.00 0.00 O ATOM 342 CB LEU A 806 0.252 -5.212 -5.179 1.00 0.00 C ATOM 343 CG LEU A 806 0.654 -3.864 -5.795 1.00 0.00 C ATOM 344 CD1 LEU A 806 0.661 -2.758 -4.757 1.00 0.00 C ATOM 345 CD2 LEU A 806 2.020 -3.972 -6.443 1.00 0.00 C ATOM 0 H LEU A 806 0.604 -4.955 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.537 -4.297 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.120 -5.633 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 806 -0.008 -5.897 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 806 -0.088 -3.611 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 806 0.950 -1.819 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.335 -2.657 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 806 1.373 -3.003 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.294 -3.010 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 806 2.758 -4.255 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.992 -4.728 -7.227 1.00 0.00 H new ATOM 357 N THR A 807 -1.306 -7.509 -3.721 1.00 0.00 N ATOM 358 CA THR A 807 -2.012 -8.782 -3.759 1.00 0.00 C ATOM 359 C THR A 807 -3.207 -8.792 -2.802 1.00 0.00 C ATOM 360 O THR A 807 -4.265 -9.330 -3.118 1.00 0.00 O ATOM 361 CB THR A 807 -1.057 -9.941 -3.413 1.00 0.00 C ATOM 362 OG1 THR A 807 0.097 -9.876 -4.258 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.738 -11.293 -3.590 1.00 0.00 C ATOM 0 H THR A 807 -0.433 -7.532 -3.195 1.00 0.00 H new ATOM 0 HA THR A 807 -2.387 -8.916 -4.774 1.00 0.00 H new ATOM 0 HB THR A 807 -0.764 -9.840 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 807 0.816 -9.400 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 807 -1.037 -12.089 -3.338 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.606 -11.352 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 807 -2.058 -11.406 -4.626 1.00 0.00 H new ATOM 371 N VAL A 808 -3.043 -8.200 -1.630 1.00 0.00 N ATOM 372 CA VAL A 808 -4.128 -8.133 -0.662 1.00 0.00 C ATOM 373 C VAL A 808 -5.270 -7.270 -1.194 1.00 0.00 C ATOM 374 O VAL A 808 -6.438 -7.590 -0.996 1.00 0.00 O ATOM 375 CB VAL A 808 -3.644 -7.596 0.705 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.812 -7.394 1.658 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.625 -8.544 1.317 1.00 0.00 C ATOM 0 H VAL A 808 -2.174 -7.761 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.492 -9.149 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 808 -3.170 -6.629 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.443 -7.016 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.511 -6.676 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.320 -8.345 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.294 -8.151 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -3.081 -9.524 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.768 -8.638 0.650 1.00 0.00 H new ATOM 387 N THR A 809 -4.919 -6.199 -1.900 1.00 0.00 N ATOM 388 CA THR A 809 -5.908 -5.299 -2.482 1.00 0.00 C ATOM 389 C THR A 809 -6.857 -6.033 -3.425 1.00 0.00 C ATOM 390 O THR A 809 -8.076 -5.967 -3.264 1.00 0.00 O ATOM 391 CB THR A 809 -5.234 -4.156 -3.258 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.432 -3.367 -2.376 1.00 0.00 O ATOM 393 CG2 THR A 809 -6.280 -3.286 -3.929 1.00 0.00 C ATOM 0 H THR A 809 -3.952 -5.933 -2.083 1.00 0.00 H new ATOM 0 HA THR A 809 -6.478 -4.890 -1.648 1.00 0.00 H new ATOM 0 HB THR A 809 -4.593 -4.588 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.718 -3.922 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.788 -2.481 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.865 -3.890 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.940 -2.861 -3.172 1.00 0.00 H new ATOM 401 N GLU A 810 -6.296 -6.739 -4.404 1.00 0.00 N ATOM 402 CA GLU A 810 -7.103 -7.476 -5.369 1.00 0.00 C ATOM 403 C GLU A 810 -7.958 -8.517 -4.655 1.00 0.00 C ATOM 404 O GLU A 810 -9.022 -8.907 -5.136 1.00 0.00 O ATOM 405 CB GLU A 810 -6.218 -8.140 -6.430 1.00 0.00 C ATOM 406 CG GLU A 810 -5.232 -9.141 -5.859 1.00 0.00 C ATOM 407 CD GLU A 810 -4.389 -9.817 -6.915 1.00 0.00 C ATOM 408 OE1 GLU A 810 -4.877 -10.780 -7.542 1.00 0.00 O ATOM 409 OE2 GLU A 810 -3.224 -9.409 -7.106 1.00 0.00 O ATOM 0 H GLU A 810 -5.289 -6.815 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.762 -6.770 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -6.854 -8.644 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -5.668 -7.367 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.577 -8.633 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -5.778 -9.900 -5.299 1.00 0.00 H new ATOM 416 N ASN A 811 -7.491 -8.948 -3.489 1.00 0.00 N ATOM 417 CA ASN A 811 -8.204 -9.944 -2.707 1.00 0.00 C ATOM 418 C ASN A 811 -9.508 -9.398 -2.141 1.00 0.00 C ATOM 419 O ASN A 811 -10.406 -10.167 -1.820 1.00 0.00 O ATOM 420 CB ASN A 811 -7.331 -10.502 -1.581 1.00 0.00 C ATOM 421 CG ASN A 811 -6.644 -11.797 -1.972 1.00 0.00 C ATOM 422 OD1 ASN A 811 -7.179 -12.884 -1.758 1.00 0.00 O ATOM 423 ND2 ASN A 811 -5.457 -11.694 -2.544 1.00 0.00 N ATOM 0 H ASN A 811 -6.622 -8.622 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.449 -10.758 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.578 -9.762 -1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.946 -10.672 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.952 -12.534 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -5.046 -10.774 -2.705 1.00 0.00 H new ATOM 430 N ILE A 812 -9.626 -8.077 -2.021 1.00 0.00 N ATOM 431 CA ILE A 812 -10.894 -7.477 -1.614 1.00 0.00 C ATOM 432 C ILE A 812 -11.950 -7.740 -2.687 1.00 0.00 C ATOM 433 O ILE A 812 -13.104 -8.030 -2.381 1.00 0.00 O ATOM 434 CB ILE A 812 -10.786 -5.950 -1.347 1.00 0.00 C ATOM 435 CG1 ILE A 812 -10.116 -5.671 0.001 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.157 -5.285 -1.389 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.611 -5.760 -0.027 1.00 0.00 C ATOM 0 H ILE A 812 -8.873 -7.412 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 812 -11.181 -7.943 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.168 -5.527 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.404 -4.675 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.497 -6.379 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.049 -4.217 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.604 -5.435 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.799 -5.726 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.215 -5.549 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.311 -6.763 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.217 -5.033 -0.737 1.00 0.00 H new ATOM 449 N PHE A 813 -11.528 -7.668 -3.943 1.00 0.00 N ATOM 450 CA PHE A 813 -12.415 -7.930 -5.067 1.00 0.00 C ATOM 451 C PHE A 813 -12.715 -9.419 -5.170 1.00 0.00 C ATOM 452 O PHE A 813 -13.806 -9.821 -5.573 1.00 0.00 O ATOM 453 CB PHE A 813 -11.794 -7.410 -6.365 1.00 0.00 C ATOM 454 CG PHE A 813 -11.610 -5.921 -6.373 1.00 0.00 C ATOM 455 CD1 PHE A 813 -10.469 -5.345 -5.837 1.00 0.00 C ATOM 456 CD2 PHE A 813 -12.583 -5.094 -6.908 1.00 0.00 C ATOM 457 CE1 PHE A 813 -10.306 -3.974 -5.833 1.00 0.00 C ATOM 458 CE2 PHE A 813 -12.427 -3.724 -6.904 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.287 -3.163 -6.367 1.00 0.00 C ATOM 0 H PHE A 813 -10.573 -7.429 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.355 -7.404 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.827 -7.891 -6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.428 -7.697 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -9.699 -5.976 -5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -13.476 -5.528 -7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -9.412 -3.537 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -13.196 -3.091 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.162 -2.090 -6.364 1.00 0.00 H new ATOM 469 N SER A 814 -11.745 -10.234 -4.785 1.00 0.00 N ATOM 470 CA SER A 814 -11.932 -11.674 -4.729 1.00 0.00 C ATOM 471 C SER A 814 -12.904 -12.032 -3.600 1.00 0.00 C ATOM 472 O SER A 814 -13.765 -12.900 -3.751 1.00 0.00 O ATOM 473 CB SER A 814 -10.579 -12.366 -4.514 1.00 0.00 C ATOM 474 OG SER A 814 -10.681 -13.770 -4.669 1.00 0.00 O ATOM 0 H SER A 814 -10.816 -9.920 -4.505 1.00 0.00 H new ATOM 0 HA SER A 814 -12.355 -12.019 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.852 -11.973 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.206 -12.136 -3.516 1.00 0.00 H new ATOM 0 HG SER A 814 -9.802 -14.179 -4.527 1.00 0.00 H new ATOM 480 N SER A 815 -12.771 -11.336 -2.479 1.00 0.00 N ATOM 481 CA SER A 815 -13.606 -11.580 -1.312 1.00 0.00 C ATOM 482 C SER A 815 -14.949 -10.855 -1.421 1.00 0.00 C ATOM 483 O SER A 815 -15.826 -11.041 -0.575 1.00 0.00 O ATOM 484 CB SER A 815 -12.876 -11.126 -0.046 1.00 0.00 C ATOM 485 OG SER A 815 -11.580 -11.700 0.025 1.00 0.00 O ATOM 0 H SER A 815 -12.086 -10.591 -2.354 1.00 0.00 H new ATOM 0 HA SER A 815 -13.803 -12.651 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.798 -10.039 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.453 -11.411 0.834 1.00 0.00 H new ATOM 0 HG SER A 815 -10.950 -11.151 -0.487 1.00 0.00 H new ATOM 491 N MET A 816 -15.099 -10.032 -2.461 1.00 0.00 N ATOM 492 CA MET A 816 -16.311 -9.239 -2.658 1.00 0.00 C ATOM 493 C MET A 816 -17.547 -10.126 -2.622 1.00 0.00 C ATOM 494 O MET A 816 -17.690 -11.051 -3.426 1.00 0.00 O ATOM 495 CB MET A 816 -16.244 -8.467 -3.980 1.00 0.00 C ATOM 496 CG MET A 816 -17.465 -7.595 -4.247 1.00 0.00 C ATOM 497 SD MET A 816 -17.226 -6.479 -5.644 1.00 0.00 S ATOM 498 CE MET A 816 -15.886 -5.467 -5.022 1.00 0.00 C ATOM 0 H MET A 816 -14.391 -9.898 -3.183 1.00 0.00 H new ATOM 0 HA MET A 816 -16.381 -8.519 -1.842 1.00 0.00 H new ATOM 0 HB2 MET A 816 -15.354 -7.838 -3.978 1.00 0.00 H new ATOM 0 HB3 MET A 816 -16.130 -9.177 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 816 -18.328 -8.233 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 816 -17.693 -7.011 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 816 -16.054 -4.428 -5.305 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.845 -5.546 -3.936 1.00 0.00 H new ATOM 0 HE3 MET A 816 -14.943 -5.811 -5.447 1.00 0.00 H new ATOM 508 N GLY A 817 -18.423 -9.848 -1.672 1.00 0.00 N ATOM 509 CA GLY A 817 -19.585 -10.684 -1.463 1.00 0.00 C ATOM 510 C GLY A 817 -19.577 -11.309 -0.086 1.00 0.00 C ATOM 511 O GLY A 817 -20.474 -12.074 0.267 1.00 0.00 O ATOM 0 H GLY A 817 -18.350 -9.053 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.490 -10.089 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.611 -11.468 -2.220 1.00 0.00 H new ATOM 515 N ASP A 818 -18.537 -11.004 0.680 1.00 0.00 N ATOM 516 CA ASP A 818 -18.433 -11.451 2.063 1.00 0.00 C ATOM 517 C ASP A 818 -17.985 -10.290 2.933 1.00 0.00 C ATOM 518 O ASP A 818 -16.882 -9.774 2.762 1.00 0.00 O ATOM 519 CB ASP A 818 -17.436 -12.604 2.193 1.00 0.00 C ATOM 520 CG ASP A 818 -17.454 -13.242 3.569 1.00 0.00 C ATOM 521 OD1 ASP A 818 -17.031 -12.592 4.546 1.00 0.00 O ATOM 522 OD2 ASP A 818 -17.908 -14.400 3.683 1.00 0.00 O ATOM 0 H ASP A 818 -17.746 -10.443 0.362 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.411 -11.806 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.663 -13.362 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.432 -12.236 1.981 1.00 0.00 H new ATOM 527 N ALA A 819 -18.832 -9.890 3.866 1.00 0.00 N ATOM 528 CA ALA A 819 -18.574 -8.710 4.681 1.00 0.00 C ATOM 529 C ALA A 819 -17.336 -8.888 5.556 1.00 0.00 C ATOM 530 O ALA A 819 -16.416 -8.070 5.523 1.00 0.00 O ATOM 531 CB ALA A 819 -19.795 -8.395 5.528 1.00 0.00 C ATOM 0 H ALA A 819 -19.708 -10.366 4.080 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.376 -7.871 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.598 -7.512 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.649 -8.205 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -20.015 -9.242 6.178 1.00 0.00 H new ATOM 537 N GLY A 820 -17.316 -9.954 6.336 1.00 0.00 N ATOM 538 CA GLY A 820 -16.188 -10.221 7.212 1.00 0.00 C ATOM 539 C GLY A 820 -14.870 -10.351 6.468 1.00 0.00 C ATOM 540 O GLY A 820 -13.867 -9.756 6.864 1.00 0.00 O ATOM 0 H GLY A 820 -18.064 -10.646 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -16.107 -9.418 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.377 -11.140 7.767 1.00 0.00 H new ATOM 544 N GLU A 821 -14.878 -11.109 5.381 1.00 0.00 N ATOM 545 CA GLU A 821 -13.656 -11.408 4.643 1.00 0.00 C ATOM 546 C GLU A 821 -13.103 -10.157 3.954 1.00 0.00 C ATOM 547 O GLU A 821 -11.888 -9.979 3.860 1.00 0.00 O ATOM 548 CB GLU A 821 -13.926 -12.516 3.621 1.00 0.00 C ATOM 549 CG GLU A 821 -12.670 -13.113 3.005 1.00 0.00 C ATOM 550 CD GLU A 821 -11.795 -13.846 4.006 1.00 0.00 C ATOM 551 OE1 GLU A 821 -12.239 -14.017 5.162 1.00 0.00 O ATOM 552 OE2 GLU A 821 -10.662 -14.244 3.656 1.00 0.00 O ATOM 0 H GLU A 821 -15.720 -11.530 4.988 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.901 -11.753 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.494 -13.311 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -14.553 -12.116 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -12.957 -13.803 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -12.089 -12.317 2.541 1.00 0.00 H new ATOM 559 N MET A 822 -13.993 -9.286 3.483 1.00 0.00 N ATOM 560 CA MET A 822 -13.568 -8.044 2.839 1.00 0.00 C ATOM 561 C MET A 822 -12.876 -7.123 3.839 1.00 0.00 C ATOM 562 O MET A 822 -11.826 -6.550 3.543 1.00 0.00 O ATOM 563 CB MET A 822 -14.758 -7.327 2.199 1.00 0.00 C ATOM 564 CG MET A 822 -15.262 -7.990 0.928 1.00 0.00 C ATOM 565 SD MET A 822 -16.778 -7.237 0.300 1.00 0.00 S ATOM 566 CE MET A 822 -16.240 -5.545 0.063 1.00 0.00 C ATOM 0 H MET A 822 -15.004 -9.415 3.534 1.00 0.00 H new ATOM 0 HA MET A 822 -12.856 -8.302 2.055 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.573 -7.280 2.921 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.473 -6.300 1.973 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.489 -7.932 0.162 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.440 -9.048 1.121 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.800 -5.097 -0.758 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.417 -4.976 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.176 -5.531 -0.173 1.00 0.00 H new ATOM 576 N VAL A 823 -13.460 -6.990 5.025 1.00 0.00 N ATOM 577 CA VAL A 823 -12.865 -6.173 6.079 1.00 0.00 C ATOM 578 C VAL A 823 -11.551 -6.794 6.546 1.00 0.00 C ATOM 579 O VAL A 823 -10.589 -6.087 6.850 1.00 0.00 O ATOM 580 CB VAL A 823 -13.821 -6.009 7.284 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.189 -5.143 8.362 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.146 -5.411 6.839 1.00 0.00 C ATOM 0 H VAL A 823 -14.341 -7.435 5.281 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.676 -5.184 5.662 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.008 -6.998 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -13.880 -5.042 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.266 -5.608 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -12.968 -4.157 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -15.805 -5.304 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -14.972 -4.433 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.613 -6.068 6.105 1.00 0.00 H new ATOM 592 N ARG A 824 -11.525 -8.122 6.585 1.00 0.00 N ATOM 593 CA ARG A 824 -10.321 -8.876 6.922 1.00 0.00 C ATOM 594 C ARG A 824 -9.146 -8.428 6.056 1.00 0.00 C ATOM 595 O ARG A 824 -8.085 -8.071 6.567 1.00 0.00 O ATOM 596 CB ARG A 824 -10.586 -10.371 6.721 1.00 0.00 C ATOM 597 CG ARG A 824 -9.393 -11.271 6.997 1.00 0.00 C ATOM 598 CD ARG A 824 -9.723 -12.711 6.643 1.00 0.00 C ATOM 599 NE ARG A 824 -8.630 -13.633 6.940 1.00 0.00 N ATOM 600 CZ ARG A 824 -8.681 -14.940 6.692 1.00 0.00 C ATOM 601 NH1 ARG A 824 -9.733 -15.460 6.066 1.00 0.00 N ATOM 602 NH2 ARG A 824 -7.673 -15.722 7.056 1.00 0.00 N ATOM 0 H ARG A 824 -12.337 -8.706 6.384 1.00 0.00 H new ATOM 0 HA ARG A 824 -10.065 -8.689 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.408 -10.671 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.916 -10.533 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.534 -10.935 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.114 -11.203 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -10.612 -13.020 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.966 -12.773 5.582 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.781 -13.255 7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.503 -14.857 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.770 -16.462 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.861 -15.322 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.710 -16.724 6.867 1.00 0.00 H new ATOM 616 N GLN A 825 -9.358 -8.425 4.745 1.00 0.00 N ATOM 617 CA GLN A 825 -8.326 -8.019 3.798 1.00 0.00 C ATOM 618 C GLN A 825 -7.966 -6.544 3.979 1.00 0.00 C ATOM 619 O GLN A 825 -6.796 -6.169 3.893 1.00 0.00 O ATOM 620 CB GLN A 825 -8.793 -8.273 2.363 1.00 0.00 C ATOM 621 CG GLN A 825 -9.088 -9.733 2.056 1.00 0.00 C ATOM 622 CD GLN A 825 -7.864 -10.623 2.159 1.00 0.00 C ATOM 623 OE1 GLN A 825 -7.965 -11.797 2.501 1.00 0.00 O ATOM 624 NE2 GLN A 825 -6.697 -10.078 1.851 1.00 0.00 N ATOM 0 H GLN A 825 -10.240 -8.701 4.312 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.435 -8.615 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.691 -7.685 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -8.028 -7.915 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -9.852 -10.095 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.502 -9.810 1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.650 -9.098 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.845 -10.638 1.894 1.00 0.00 H new ATOM 633 N ALA A 826 -8.975 -5.716 4.233 1.00 0.00 N ATOM 634 CA ALA A 826 -8.769 -4.284 4.432 1.00 0.00 C ATOM 635 C ALA A 826 -7.832 -4.004 5.606 1.00 0.00 C ATOM 636 O ALA A 826 -6.991 -3.106 5.538 1.00 0.00 O ATOM 637 CB ALA A 826 -10.102 -3.585 4.647 1.00 0.00 C ATOM 0 H ALA A 826 -9.948 -6.013 4.306 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.298 -3.891 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.934 -2.518 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.737 -3.735 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.592 -4.000 5.528 1.00 0.00 H new ATOM 643 N ARG A 827 -7.972 -4.779 6.677 1.00 0.00 N ATOM 644 CA ARG A 827 -7.128 -4.608 7.856 1.00 0.00 C ATOM 645 C ARG A 827 -5.680 -4.948 7.534 1.00 0.00 C ATOM 646 O ARG A 827 -4.756 -4.303 8.034 1.00 0.00 O ATOM 647 CB ARG A 827 -7.612 -5.483 9.012 1.00 0.00 C ATOM 648 CG ARG A 827 -9.024 -5.170 9.467 1.00 0.00 C ATOM 649 CD ARG A 827 -9.412 -6.010 10.669 1.00 0.00 C ATOM 650 NE ARG A 827 -9.230 -7.440 10.422 1.00 0.00 N ATOM 651 CZ ARG A 827 -10.208 -8.337 10.503 1.00 0.00 C ATOM 652 NH1 ARG A 827 -11.449 -7.955 10.775 1.00 0.00 N ATOM 653 NH2 ARG A 827 -9.944 -9.621 10.307 1.00 0.00 N ATOM 0 H ARG A 827 -8.659 -5.529 6.754 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.193 -3.562 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.561 -6.529 8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.933 -5.362 9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -9.102 -4.112 9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.722 -5.355 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.812 -5.712 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -10.454 -5.816 10.925 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.297 -7.769 10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -11.658 -6.968 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -12.194 -8.649 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -8.992 -9.919 10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.693 -10.311 10.369 1.00 0.00 H new ATOM 667 N ILE A 828 -5.490 -5.955 6.690 1.00 0.00 N ATOM 668 CA ILE A 828 -4.155 -6.361 6.270 1.00 0.00 C ATOM 669 C ILE A 828 -3.468 -5.214 5.537 1.00 0.00 C ATOM 670 O ILE A 828 -2.274 -4.972 5.712 1.00 0.00 O ATOM 671 CB ILE A 828 -4.199 -7.601 5.350 1.00 0.00 C ATOM 672 CG1 ILE A 828 -4.992 -8.726 6.015 1.00 0.00 C ATOM 673 CG2 ILE A 828 -2.787 -8.071 5.019 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.205 -9.929 5.122 1.00 0.00 C ATOM 0 H ILE A 828 -6.245 -6.506 6.282 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.593 -6.621 7.167 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.697 -7.325 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.470 -9.042 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -5.962 -8.340 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -2.837 -8.945 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.247 -7.272 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.265 -8.332 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.775 -10.686 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.755 -9.628 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.239 -10.341 4.830 1.00 0.00 H new ATOM 686 N LEU A 829 -4.242 -4.499 4.729 1.00 0.00 N ATOM 687 CA LEU A 829 -3.736 -3.337 4.014 1.00 0.00 C ATOM 688 C LEU A 829 -3.282 -2.263 4.989 1.00 0.00 C ATOM 689 O LEU A 829 -2.179 -1.741 4.871 1.00 0.00 O ATOM 690 CB LEU A 829 -4.805 -2.775 3.076 1.00 0.00 C ATOM 691 CG LEU A 829 -5.172 -3.683 1.906 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.251 -3.040 1.053 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.939 -3.984 1.071 1.00 0.00 C ATOM 0 H LEU A 829 -5.225 -4.706 4.553 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.879 -3.653 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.705 -2.571 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.457 -1.821 2.681 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.562 -4.621 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.501 -3.701 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.140 -2.868 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.888 -2.089 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -4.213 -4.633 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.525 -3.053 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.193 -4.483 1.690 1.00 0.00 H new ATOM 705 N ALA A 830 -4.128 -1.956 5.964 1.00 0.00 N ATOM 706 CA ALA A 830 -3.801 -0.956 6.972 1.00 0.00 C ATOM 707 C ALA A 830 -2.505 -1.314 7.693 1.00 0.00 C ATOM 708 O ALA A 830 -1.652 -0.455 7.926 1.00 0.00 O ATOM 709 CB ALA A 830 -4.942 -0.818 7.969 1.00 0.00 C ATOM 0 H ALA A 830 -5.046 -2.385 6.078 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.657 0.001 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.684 -0.068 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.848 -0.512 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.113 -1.776 8.461 1.00 0.00 H new ATOM 715 N GLN A 831 -2.361 -2.592 8.019 1.00 0.00 N ATOM 716 CA GLN A 831 -1.167 -3.091 8.687 1.00 0.00 C ATOM 717 C GLN A 831 0.061 -2.977 7.781 1.00 0.00 C ATOM 718 O GLN A 831 1.098 -2.448 8.187 1.00 0.00 O ATOM 719 CB GLN A 831 -1.385 -4.549 9.100 1.00 0.00 C ATOM 720 CG GLN A 831 -0.150 -5.225 9.672 1.00 0.00 C ATOM 721 CD GLN A 831 -0.402 -6.672 10.034 1.00 0.00 C ATOM 722 OE1 GLN A 831 -1.250 -7.333 9.434 1.00 0.00 O ATOM 723 NE2 GLN A 831 0.335 -7.177 11.008 1.00 0.00 N ATOM 0 H GLN A 831 -3.063 -3.307 7.829 1.00 0.00 H new ATOM 0 HA GLN A 831 -0.986 -2.483 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.184 -4.590 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.726 -5.114 8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.660 -5.171 8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.180 -4.683 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.027 -6.594 11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.212 -8.150 11.289 1.00 0.00 H new ATOM 732 N ALA A 832 -0.070 -3.464 6.555 1.00 0.00 N ATOM 733 CA ALA A 832 1.035 -3.477 5.606 1.00 0.00 C ATOM 734 C ALA A 832 1.451 -2.066 5.209 1.00 0.00 C ATOM 735 O ALA A 832 2.642 -1.752 5.166 1.00 0.00 O ATOM 736 CB ALA A 832 0.657 -4.289 4.379 1.00 0.00 C ATOM 0 H ALA A 832 -0.938 -3.858 6.192 1.00 0.00 H new ATOM 0 HA ALA A 832 1.892 -3.944 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.489 -4.293 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.428 -5.312 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.218 -3.845 3.904 1.00 0.00 H new ATOM 742 N THR A 833 0.467 -1.219 4.935 1.00 0.00 N ATOM 743 CA THR A 833 0.730 0.163 4.563 1.00 0.00 C ATOM 744 C THR A 833 1.510 0.885 5.654 1.00 0.00 C ATOM 745 O THR A 833 2.373 1.715 5.366 1.00 0.00 O ATOM 746 CB THR A 833 -0.585 0.925 4.283 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.229 0.387 3.123 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.330 2.413 4.087 1.00 0.00 C ATOM 0 H THR A 833 -0.522 -1.467 4.964 1.00 0.00 H new ATOM 0 HA THR A 833 1.328 0.143 3.652 1.00 0.00 H new ATOM 0 HB THR A 833 -1.235 0.801 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.892 1.027 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.274 2.921 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 833 0.125 2.826 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.342 2.559 3.241 1.00 0.00 H new ATOM 756 N SER A 834 1.226 0.537 6.902 1.00 0.00 N ATOM 757 CA SER A 834 1.860 1.194 8.042 1.00 0.00 C ATOM 758 C SER A 834 3.380 1.052 7.982 1.00 0.00 C ATOM 759 O SER A 834 4.112 1.961 8.375 1.00 0.00 O ATOM 760 CB SER A 834 1.322 0.626 9.357 1.00 0.00 C ATOM 761 OG SER A 834 -0.057 0.931 9.516 1.00 0.00 O ATOM 0 H SER A 834 0.562 -0.195 7.153 1.00 0.00 H new ATOM 0 HA SER A 834 1.617 2.256 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 834 1.464 -0.455 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.888 1.036 10.193 1.00 0.00 H new ATOM 0 HG SER A 834 -0.554 0.619 8.731 1.00 0.00 H new ATOM 767 N ASP A 835 3.847 -0.073 7.457 1.00 0.00 N ATOM 768 CA ASP A 835 5.277 -0.317 7.348 1.00 0.00 C ATOM 769 C ASP A 835 5.885 0.585 6.282 1.00 0.00 C ATOM 770 O ASP A 835 6.938 1.190 6.491 1.00 0.00 O ATOM 771 CB ASP A 835 5.557 -1.782 7.018 1.00 0.00 C ATOM 772 CG ASP A 835 7.035 -2.110 7.089 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.567 -2.240 8.210 1.00 0.00 O ATOM 774 OD2 ASP A 835 7.667 -2.250 6.018 1.00 0.00 O ATOM 0 H ASP A 835 3.259 -0.827 7.102 1.00 0.00 H new ATOM 0 HA ASP A 835 5.735 -0.089 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 835 5.011 -2.420 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 835 5.184 -2.006 6.019 1.00 0.00 H new ATOM 779 N LEU A 836 5.199 0.690 5.147 1.00 0.00 N ATOM 780 CA LEU A 836 5.645 1.546 4.054 1.00 0.00 C ATOM 781 C LEU A 836 5.673 3.004 4.478 1.00 0.00 C ATOM 782 O LEU A 836 6.645 3.712 4.220 1.00 0.00 O ATOM 783 CB LEU A 836 4.737 1.386 2.837 1.00 0.00 C ATOM 784 CG LEU A 836 4.963 0.118 2.022 1.00 0.00 C ATOM 785 CD1 LEU A 836 3.881 -0.035 0.970 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.333 0.147 1.366 1.00 0.00 C ATOM 0 H LEU A 836 4.329 0.191 4.961 1.00 0.00 H new ATOM 0 HA LEU A 836 6.656 1.238 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.700 1.403 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 836 4.875 2.248 2.184 1.00 0.00 H new ATOM 0 HG LEU A 836 4.917 -0.738 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.057 -0.945 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 836 2.907 -0.095 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 836 3.900 0.825 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.479 -0.765 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 836 6.401 1.011 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.103 0.217 2.134 1.00 0.00 H new ATOM 798 N VAL A 837 4.607 3.446 5.136 1.00 0.00 N ATOM 799 CA VAL A 837 4.508 4.826 5.595 1.00 0.00 C ATOM 800 C VAL A 837 5.697 5.187 6.477 1.00 0.00 C ATOM 801 O VAL A 837 6.223 6.291 6.399 1.00 0.00 O ATOM 802 CB VAL A 837 3.194 5.079 6.369 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.140 6.504 6.902 1.00 0.00 C ATOM 804 CG2 VAL A 837 1.993 4.804 5.482 1.00 0.00 C ATOM 0 H VAL A 837 3.798 2.867 5.364 1.00 0.00 H new ATOM 0 HA VAL A 837 4.510 5.460 4.708 1.00 0.00 H new ATOM 0 HB VAL A 837 3.167 4.396 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.205 6.655 7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 837 3.980 6.673 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 837 3.196 7.206 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.077 4.987 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.024 5.462 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 837 2.015 3.765 5.152 1.00 0.00 H new ATOM 814 N ASN A 838 6.133 4.240 7.295 1.00 0.00 N ATOM 815 CA ASN A 838 7.270 4.469 8.174 1.00 0.00 C ATOM 816 C ASN A 838 8.587 4.409 7.407 1.00 0.00 C ATOM 817 O ASN A 838 9.411 5.314 7.518 1.00 0.00 O ATOM 818 CB ASN A 838 7.289 3.453 9.319 1.00 0.00 C ATOM 819 CG ASN A 838 6.163 3.670 10.311 1.00 0.00 C ATOM 820 OD1 ASN A 838 5.681 4.790 10.491 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.737 2.602 10.964 1.00 0.00 N ATOM 0 H ASN A 838 5.719 3.311 7.368 1.00 0.00 H new ATOM 0 HA ASN A 838 7.160 5.470 8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 838 7.217 2.446 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.244 3.516 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.983 2.688 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 838 6.162 1.692 10.786 1.00 0.00 H new ATOM 828 N ALA A 839 8.776 3.352 6.621 1.00 0.00 N ATOM 829 CA ALA A 839 10.030 3.146 5.897 1.00 0.00 C ATOM 830 C ALA A 839 10.284 4.252 4.878 1.00 0.00 C ATOM 831 O ALA A 839 11.337 4.891 4.898 1.00 0.00 O ATOM 832 CB ALA A 839 10.029 1.795 5.201 1.00 0.00 C ATOM 0 H ALA A 839 8.078 2.624 6.468 1.00 0.00 H new ATOM 0 HA ALA A 839 10.835 3.173 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.970 1.660 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.915 1.004 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 839 9.201 1.751 4.493 1.00 0.00 H new ATOM 838 N ILE A 840 9.308 4.482 4.004 1.00 0.00 N ATOM 839 CA ILE A 840 9.440 5.478 2.943 1.00 0.00 C ATOM 840 C ILE A 840 9.676 6.866 3.534 1.00 0.00 C ATOM 841 O ILE A 840 10.490 7.640 3.030 1.00 0.00 O ATOM 842 CB ILE A 840 8.181 5.506 2.045 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.928 4.124 1.441 1.00 0.00 C ATOM 844 CG2 ILE A 840 8.332 6.545 0.941 1.00 0.00 C ATOM 845 CD1 ILE A 840 6.637 4.030 0.655 1.00 0.00 C ATOM 0 H ILE A 840 8.414 3.991 4.009 1.00 0.00 H new ATOM 0 HA ILE A 840 10.299 5.197 2.333 1.00 0.00 H new ATOM 0 HB ILE A 840 7.325 5.780 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.761 3.865 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.910 3.385 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.436 6.549 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.470 7.531 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 840 9.198 6.300 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 840 6.526 3.021 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.795 4.257 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.659 4.744 -0.168 1.00 0.00 H new ATOM 857 N LYS A 841 8.975 7.160 4.620 1.00 0.00 N ATOM 858 CA LYS A 841 9.100 8.445 5.294 1.00 0.00 C ATOM 859 C LYS A 841 10.473 8.583 5.943 1.00 0.00 C ATOM 860 O LYS A 841 11.113 9.626 5.836 1.00 0.00 O ATOM 861 CB LYS A 841 8.002 8.584 6.344 1.00 0.00 C ATOM 862 CG LYS A 841 7.988 9.914 7.079 1.00 0.00 C ATOM 863 CD LYS A 841 6.867 9.955 8.103 1.00 0.00 C ATOM 864 CE LYS A 841 5.497 9.866 7.444 1.00 0.00 C ATOM 865 NZ LYS A 841 4.405 9.722 8.440 1.00 0.00 N ATOM 0 H LYS A 841 8.310 6.521 5.056 1.00 0.00 H new ATOM 0 HA LYS A 841 8.992 9.240 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 841 7.036 8.442 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 841 8.113 7.782 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 841 8.946 10.070 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 841 7.863 10.728 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 841 6.987 9.131 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 841 6.934 10.878 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 841 5.325 10.760 6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 841 5.478 9.017 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.491 9.665 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 4.554 8.855 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 4.405 10.545 9.076 1.00 0.00 H new ATOM 879 N ALA A 842 10.929 7.516 6.590 1.00 0.00 N ATOM 880 CA ALA A 842 12.210 7.531 7.283 1.00 0.00 C ATOM 881 C ALA A 842 13.350 7.699 6.294 1.00 0.00 C ATOM 882 O ALA A 842 14.297 8.448 6.543 1.00 0.00 O ATOM 883 CB ALA A 842 12.393 6.257 8.091 1.00 0.00 C ATOM 0 H ALA A 842 10.429 6.629 6.648 1.00 0.00 H new ATOM 0 HA ALA A 842 12.220 8.379 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 842 13.355 6.285 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 842 11.593 6.175 8.827 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.362 5.395 7.424 1.00 0.00 H new ATOM 889 N ASP A 843 13.249 7.004 5.172 1.00 0.00 N ATOM 890 CA ASP A 843 14.231 7.134 4.106 1.00 0.00 C ATOM 891 C ASP A 843 14.187 8.535 3.517 1.00 0.00 C ATOM 892 O ASP A 843 15.218 9.101 3.164 1.00 0.00 O ATOM 893 CB ASP A 843 13.992 6.089 3.012 1.00 0.00 C ATOM 894 CG ASP A 843 14.579 4.736 3.362 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.801 4.661 3.611 1.00 0.00 O ATOM 896 OD2 ASP A 843 13.838 3.730 3.362 1.00 0.00 O ATOM 0 H ASP A 843 12.497 6.344 4.975 1.00 0.00 H new ATOM 0 HA ASP A 843 15.220 6.962 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 843 12.920 5.984 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 843 14.429 6.440 2.077 1.00 0.00 H new ATOM 901 N ALA A 844 12.991 9.099 3.437 1.00 0.00 N ATOM 902 CA ALA A 844 12.815 10.457 2.943 1.00 0.00 C ATOM 903 C ALA A 844 13.432 11.474 3.895 1.00 0.00 C ATOM 904 O ALA A 844 14.033 12.458 3.466 1.00 0.00 O ATOM 905 CB ALA A 844 11.342 10.756 2.738 1.00 0.00 C ATOM 0 H ALA A 844 12.124 8.635 3.709 1.00 0.00 H new ATOM 0 HA ALA A 844 13.329 10.536 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 844 11.226 11.775 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 844 10.926 10.057 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 844 10.814 10.651 3.686 1.00 0.00 H new ATOM 911 N GLU A 845 13.283 11.237 5.191 1.00 0.00 N ATOM 912 CA GLU A 845 13.862 12.116 6.202 1.00 0.00 C ATOM 913 C GLU A 845 15.375 11.933 6.264 1.00 0.00 C ATOM 914 O GLU A 845 16.093 12.756 6.837 1.00 0.00 O ATOM 915 CB GLU A 845 13.234 11.850 7.572 1.00 0.00 C ATOM 916 CG GLU A 845 11.729 12.071 7.602 1.00 0.00 C ATOM 917 CD GLU A 845 11.124 11.817 8.967 1.00 0.00 C ATOM 918 OE1 GLU A 845 11.133 10.653 9.422 1.00 0.00 O ATOM 919 OE2 GLU A 845 10.629 12.781 9.589 1.00 0.00 O ATOM 0 H GLU A 845 12.766 10.443 5.569 1.00 0.00 H new ATOM 0 HA GLU A 845 13.649 13.148 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 845 13.449 10.823 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 845 13.704 12.500 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 845 11.511 13.095 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 845 11.256 11.414 6.872 1.00 0.00 H new ATOM 926 N GLY A 846 15.852 10.849 5.668 1.00 0.00 N ATOM 927 CA GLY A 846 17.274 10.594 5.607 1.00 0.00 C ATOM 928 C GLY A 846 17.894 11.119 4.326 1.00 0.00 C ATOM 929 O GLY A 846 19.024 11.609 4.335 1.00 0.00 O ATOM 0 H GLY A 846 15.273 10.137 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 846 17.762 11.060 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 846 17.453 9.521 5.683 1.00 0.00 H new ATOM 933 N GLU A 847 17.157 11.011 3.226 1.00 0.00 N ATOM 934 CA GLU A 847 17.626 11.481 1.928 1.00 0.00 C ATOM 935 C GLU A 847 17.933 12.975 1.971 1.00 0.00 C ATOM 936 O GLU A 847 17.099 13.782 2.390 1.00 0.00 O ATOM 937 CB GLU A 847 16.581 11.187 0.844 1.00 0.00 C ATOM 938 CG GLU A 847 17.007 11.612 -0.554 1.00 0.00 C ATOM 939 CD GLU A 847 18.230 10.864 -1.052 1.00 0.00 C ATOM 940 OE1 GLU A 847 19.313 11.022 -0.451 1.00 0.00 O ATOM 941 OE2 GLU A 847 18.116 10.130 -2.054 1.00 0.00 O ATOM 0 H GLU A 847 16.224 10.598 3.208 1.00 0.00 H new ATOM 0 HA GLU A 847 18.545 10.948 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 847 16.368 10.118 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 847 15.652 11.696 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 847 16.181 11.448 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.216 12.682 -0.555 1.00 0.00 H new ATOM 948 N SER A 848 19.132 13.334 1.538 1.00 0.00 N ATOM 949 CA SER A 848 19.582 14.717 1.571 1.00 0.00 C ATOM 950 C SER A 848 19.055 15.498 0.368 1.00 0.00 C ATOM 951 O SER A 848 19.075 16.731 0.358 1.00 0.00 O ATOM 952 CB SER A 848 21.108 14.766 1.614 1.00 0.00 C ATOM 953 OG SER A 848 21.607 14.041 2.728 1.00 0.00 O ATOM 0 H SER A 848 19.816 12.680 1.157 1.00 0.00 H new ATOM 0 HA SER A 848 19.185 15.186 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 848 21.515 14.350 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 848 21.441 15.802 1.671 1.00 0.00 H new ATOM 0 HG SER A 848 22.586 14.084 2.735 1.00 0.00 H new ATOM 959 N ASP A 849 18.588 14.779 -0.644 1.00 0.00 N ATOM 960 CA ASP A 849 17.997 15.412 -1.814 1.00 0.00 C ATOM 961 C ASP A 849 16.573 15.833 -1.508 1.00 0.00 C ATOM 962 O ASP A 849 15.715 14.990 -1.261 1.00 0.00 O ATOM 963 CB ASP A 849 18.004 14.471 -3.021 1.00 0.00 C ATOM 964 CG ASP A 849 19.384 14.273 -3.606 1.00 0.00 C ATOM 965 OD1 ASP A 849 19.819 15.120 -4.411 1.00 0.00 O ATOM 966 OD2 ASP A 849 20.049 13.278 -3.249 1.00 0.00 O ATOM 0 H ASP A 849 18.607 13.760 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 849 18.597 16.288 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 849 17.599 13.504 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.343 14.870 -3.790 1.00 0.00 H new ATOM 971 N LEU A 850 16.325 17.132 -1.519 1.00 0.00 N ATOM 972 CA LEU A 850 15.016 17.669 -1.184 1.00 0.00 C ATOM 973 C LEU A 850 13.958 17.197 -2.175 1.00 0.00 C ATOM 974 O LEU A 850 12.836 16.874 -1.791 1.00 0.00 O ATOM 975 CB LEU A 850 15.072 19.191 -1.171 1.00 0.00 C ATOM 976 CG LEU A 850 14.631 19.857 0.136 1.00 0.00 C ATOM 977 CD1 LEU A 850 13.169 19.557 0.429 1.00 0.00 C ATOM 978 CD2 LEU A 850 15.509 19.396 1.291 1.00 0.00 C ATOM 0 H LEU A 850 17.019 17.840 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 850 14.740 17.305 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 850 16.094 19.501 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 850 14.445 19.567 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 850 14.742 20.935 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 850 12.878 20.040 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 850 12.550 19.936 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.030 18.480 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 850 15.182 19.879 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 850 15.429 18.314 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 850 16.546 19.664 1.089 1.00 0.00 H new ATOM 990 N GLU A 851 14.329 17.140 -3.447 1.00 0.00 N ATOM 991 CA GLU A 851 13.399 16.737 -4.490 1.00 0.00 C ATOM 992 C GLU A 851 13.021 15.264 -4.342 1.00 0.00 C ATOM 993 O GLU A 851 11.872 14.887 -4.570 1.00 0.00 O ATOM 994 CB GLU A 851 13.998 17.006 -5.872 1.00 0.00 C ATOM 995 CG GLU A 851 14.268 18.479 -6.133 1.00 0.00 C ATOM 996 CD GLU A 851 14.917 18.729 -7.478 1.00 0.00 C ATOM 997 OE1 GLU A 851 14.190 18.824 -8.489 1.00 0.00 O ATOM 998 OE2 GLU A 851 16.159 18.853 -7.531 1.00 0.00 O ATOM 0 H GLU A 851 15.266 17.368 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 851 12.490 17.330 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 851 14.930 16.450 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 851 13.318 16.627 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 851 13.329 19.030 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.912 18.870 -5.346 1.00 0.00 H new ATOM 1005 N ASN A 852 13.984 14.442 -3.940 1.00 0.00 N ATOM 1006 CA ASN A 852 13.734 13.015 -3.754 1.00 0.00 C ATOM 1007 C ASN A 852 13.015 12.765 -2.432 1.00 0.00 C ATOM 1008 O ASN A 852 12.135 11.907 -2.346 1.00 0.00 O ATOM 1009 CB ASN A 852 15.043 12.215 -3.796 1.00 0.00 C ATOM 1010 CG ASN A 852 14.807 10.713 -3.865 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.809 10.258 -4.418 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.723 9.930 -3.315 1.00 0.00 N ATOM 0 H ASN A 852 14.940 14.735 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 852 13.098 12.679 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.628 12.528 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.635 12.446 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 852 15.611 8.917 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 852 16.540 10.341 -2.863 1.00 0.00 H new ATOM 1019 N SER A 853 13.367 13.537 -1.410 1.00 0.00 N ATOM 1020 CA SER A 853 12.792 13.343 -0.086 1.00 0.00 C ATOM 1021 C SER A 853 11.324 13.750 -0.071 1.00 0.00 C ATOM 1022 O SER A 853 10.481 13.026 0.456 1.00 0.00 O ATOM 1023 CB SER A 853 13.584 14.124 0.964 1.00 0.00 C ATOM 1024 OG SER A 853 13.777 15.467 0.569 1.00 0.00 O ATOM 0 H SER A 853 14.043 14.298 -1.473 1.00 0.00 H new ATOM 0 HA SER A 853 12.851 12.283 0.162 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.055 14.096 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 853 14.551 13.647 1.122 1.00 0.00 H new ATOM 0 HG SER A 853 14.527 15.519 -0.060 1.00 0.00 H new ATOM 1030 N ARG A 854 11.021 14.901 -0.666 1.00 0.00 N ATOM 1031 CA ARG A 854 9.639 15.355 -0.792 1.00 0.00 C ATOM 1032 C ARG A 854 8.812 14.344 -1.569 1.00 0.00 C ATOM 1033 O ARG A 854 7.650 14.105 -1.247 1.00 0.00 O ATOM 1034 CB ARG A 854 9.568 16.711 -1.488 1.00 0.00 C ATOM 1035 CG ARG A 854 9.986 17.874 -0.610 1.00 0.00 C ATOM 1036 CD ARG A 854 9.843 19.191 -1.349 1.00 0.00 C ATOM 1037 NE ARG A 854 8.495 19.369 -1.892 1.00 0.00 N ATOM 1038 CZ ARG A 854 8.171 20.302 -2.788 1.00 0.00 C ATOM 1039 NH1 ARG A 854 9.088 21.163 -3.218 1.00 0.00 N ATOM 1040 NH2 ARG A 854 6.927 20.380 -3.246 1.00 0.00 N ATOM 0 H ARG A 854 11.712 15.535 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 854 9.233 15.455 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.205 16.689 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 854 8.548 16.878 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 854 9.375 17.891 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 854 11.020 17.741 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 854 10.073 20.014 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 854 10.570 19.233 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 854 7.760 18.742 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 854 10.043 21.111 -2.863 1.00 0.00 H new ATOM 0 HH12 ARG A 854 8.837 21.875 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 854 6.219 19.726 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 854 6.680 21.094 -3.931 1.00 0.00 H new ATOM 1054 N LYS A 855 9.423 13.754 -2.587 1.00 0.00 N ATOM 1055 CA LYS A 855 8.763 12.750 -3.406 1.00 0.00 C ATOM 1056 C LYS A 855 8.360 11.549 -2.554 1.00 0.00 C ATOM 1057 O LYS A 855 7.201 11.131 -2.562 1.00 0.00 O ATOM 1058 CB LYS A 855 9.692 12.316 -4.538 1.00 0.00 C ATOM 1059 CG LYS A 855 9.053 11.374 -5.543 1.00 0.00 C ATOM 1060 CD LYS A 855 10.047 10.958 -6.615 1.00 0.00 C ATOM 1061 CE LYS A 855 11.187 10.138 -6.028 1.00 0.00 C ATOM 1062 NZ LYS A 855 12.266 9.899 -7.021 1.00 0.00 N ATOM 0 H LYS A 855 10.383 13.957 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 855 7.859 13.181 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 855 10.045 13.203 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.568 11.830 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.677 10.489 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.195 11.861 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 855 9.535 10.376 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 855 10.449 11.845 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 855 11.599 10.656 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 855 10.802 9.182 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 13.189 9.919 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 12.127 8.970 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 12.238 10.641 -7.749 1.00 0.00 H new ATOM 1076 N LEU A 856 9.316 11.020 -1.798 1.00 0.00 N ATOM 1077 CA LEU A 856 9.058 9.887 -0.916 1.00 0.00 C ATOM 1078 C LEU A 856 8.040 10.251 0.165 1.00 0.00 C ATOM 1079 O LEU A 856 7.112 9.486 0.435 1.00 0.00 O ATOM 1080 CB LEU A 856 10.362 9.404 -0.275 1.00 0.00 C ATOM 1081 CG LEU A 856 11.354 8.731 -1.227 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.666 8.442 -0.512 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.766 7.444 -1.787 1.00 0.00 C ATOM 0 H LEU A 856 10.278 11.358 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 856 8.640 9.080 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.855 10.257 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 856 10.117 8.702 0.522 1.00 0.00 H new ATOM 0 HG LEU A 856 11.551 9.412 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.360 7.964 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 856 13.098 9.376 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.481 7.779 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.485 6.979 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.542 6.760 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.850 7.670 -2.333 1.00 0.00 H new ATOM 1095 N LEU A 857 8.205 11.428 0.768 1.00 0.00 N ATOM 1096 CA LEU A 857 7.280 11.900 1.798 1.00 0.00 C ATOM 1097 C LEU A 857 5.859 12.000 1.254 1.00 0.00 C ATOM 1098 O LEU A 857 4.901 11.618 1.927 1.00 0.00 O ATOM 1099 CB LEU A 857 7.724 13.261 2.343 1.00 0.00 C ATOM 1100 CG LEU A 857 8.965 13.236 3.237 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.386 14.648 3.607 1.00 0.00 C ATOM 1102 CD2 LEU A 857 8.699 12.415 4.490 1.00 0.00 C ATOM 0 H LEU A 857 8.969 12.071 0.562 1.00 0.00 H new ATOM 0 HA LEU A 857 7.291 11.173 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 857 7.917 13.925 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 857 6.899 13.694 2.908 1.00 0.00 H new ATOM 0 HG LEU A 857 9.779 12.769 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.270 14.609 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.615 15.209 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.575 15.141 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.591 12.407 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 857 7.871 12.856 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.444 11.393 4.208 1.00 0.00 H new ATOM 1114 N SER A 858 5.732 12.507 0.034 1.00 0.00 N ATOM 1115 CA SER A 858 4.433 12.635 -0.605 1.00 0.00 C ATOM 1116 C SER A 858 3.856 11.263 -0.934 1.00 0.00 C ATOM 1117 O SER A 858 2.673 11.017 -0.720 1.00 0.00 O ATOM 1118 CB SER A 858 4.546 13.478 -1.876 1.00 0.00 C ATOM 1119 OG SER A 858 5.070 14.767 -1.587 1.00 0.00 O ATOM 0 H SER A 858 6.515 12.836 -0.531 1.00 0.00 H new ATOM 0 HA SER A 858 3.759 13.135 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.190 12.973 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 858 3.565 13.576 -2.340 1.00 0.00 H new ATOM 0 HG SER A 858 6.049 14.723 -1.556 1.00 0.00 H new ATOM 1125 N ALA A 859 4.704 10.370 -1.437 1.00 0.00 N ATOM 1126 CA ALA A 859 4.277 9.024 -1.803 1.00 0.00 C ATOM 1127 C ALA A 859 3.716 8.279 -0.597 1.00 0.00 C ATOM 1128 O ALA A 859 2.647 7.675 -0.674 1.00 0.00 O ATOM 1129 CB ALA A 859 5.437 8.250 -2.413 1.00 0.00 C ATOM 0 H ALA A 859 5.694 10.556 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 859 3.483 9.110 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 859 5.104 7.247 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.790 8.766 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.249 8.181 -1.689 1.00 0.00 H new ATOM 1135 N ALA A 860 4.433 8.339 0.517 1.00 0.00 N ATOM 1136 CA ALA A 860 4.002 7.675 1.742 1.00 0.00 C ATOM 1137 C ALA A 860 2.707 8.286 2.266 1.00 0.00 C ATOM 1138 O ALA A 860 1.817 7.575 2.734 1.00 0.00 O ATOM 1139 CB ALA A 860 5.091 7.759 2.801 1.00 0.00 C ATOM 0 H ALA A 860 5.317 8.841 0.599 1.00 0.00 H new ATOM 0 HA ALA A 860 3.815 6.626 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.755 7.259 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.995 7.273 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 860 5.305 8.805 3.021 1.00 0.00 H new ATOM 1145 N LYS A 861 2.602 9.605 2.170 1.00 0.00 N ATOM 1146 CA LYS A 861 1.429 10.321 2.656 1.00 0.00 C ATOM 1147 C LYS A 861 0.216 10.026 1.776 1.00 0.00 C ATOM 1148 O LYS A 861 -0.883 9.785 2.278 1.00 0.00 O ATOM 1149 CB LYS A 861 1.716 11.823 2.697 1.00 0.00 C ATOM 1150 CG LYS A 861 0.666 12.632 3.439 1.00 0.00 C ATOM 1151 CD LYS A 861 1.149 14.050 3.685 1.00 0.00 C ATOM 1152 CE LYS A 861 0.153 14.852 4.502 1.00 0.00 C ATOM 1153 NZ LYS A 861 0.698 16.182 4.870 1.00 0.00 N ATOM 0 H LYS A 861 3.318 10.203 1.758 1.00 0.00 H new ATOM 0 HA LYS A 861 1.202 9.980 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.685 11.985 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.793 12.196 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 861 -0.258 12.653 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 861 0.436 12.152 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 861 2.107 14.023 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 861 1.319 14.547 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -0.767 14.980 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -0.105 14.301 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -0.008 16.704 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 1.563 16.059 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 0.921 16.717 4.006 1.00 0.00 H new ATOM 1167 N ILE A 862 0.427 10.035 0.464 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.623 9.680 -0.486 1.00 0.00 C ATOM 1169 C ILE A 862 -1.079 8.247 -0.245 1.00 0.00 C ATOM 1170 O ILE A 862 -2.274 7.960 -0.222 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.138 9.840 -1.949 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.005 11.327 -2.289 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.084 9.146 -2.926 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.576 11.588 -3.666 1.00 0.00 C ATOM 0 H ILE A 862 1.317 10.285 0.033 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.461 10.360 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 862 0.836 9.361 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.973 11.802 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.646 11.800 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.716 9.277 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.133 8.083 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.079 9.583 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 862 0.647 12.663 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.569 11.144 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 862 -0.075 11.146 -4.420 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.115 7.361 -0.042 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.400 5.968 0.257 1.00 0.00 C ATOM 1188 C LEU A 863 -1.258 5.834 1.510 1.00 0.00 C ATOM 1189 O LEU A 863 -2.309 5.186 1.490 1.00 0.00 O ATOM 1190 CB LEU A 863 0.904 5.192 0.431 1.00 0.00 C ATOM 1191 CG LEU A 863 0.766 3.855 1.151 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.296 2.998 0.483 1.00 0.00 C ATOM 1193 CD2 LEU A 863 2.102 3.140 1.195 1.00 0.00 C ATOM 0 H LEU A 863 0.879 7.586 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 863 -0.959 5.552 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.338 5.015 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.609 5.814 0.983 1.00 0.00 H new ATOM 0 HG LEU A 863 0.449 4.040 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.381 2.048 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.254 3.517 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 863 -0.016 2.814 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 863 1.988 2.187 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.453 2.962 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.827 3.756 1.726 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.810 6.443 2.596 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.521 6.361 3.862 1.00 0.00 C ATOM 1207 C ALA A 864 -2.954 6.857 3.713 1.00 0.00 C ATOM 1208 O ALA A 864 -3.875 6.333 4.342 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.783 7.156 4.924 1.00 0.00 C ATOM 0 H ALA A 864 0.044 7.000 2.626 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.561 5.317 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.322 7.089 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.221 6.751 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.717 8.200 4.617 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.145 7.843 2.848 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.467 8.399 2.620 1.00 0.00 C ATOM 1217 C ASP A 865 -5.278 7.530 1.681 1.00 0.00 C ATOM 1218 O ASP A 865 -6.497 7.402 1.826 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.369 9.821 2.068 1.00 0.00 C ATOM 1220 CG ASP A 865 -5.725 10.439 1.798 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.436 10.773 2.769 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -6.090 10.597 0.615 1.00 0.00 O ATOM 0 H ASP A 865 -2.403 8.272 2.295 1.00 0.00 H new ATOM 0 HA ASP A 865 -4.979 8.430 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -3.825 10.445 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -3.790 9.809 1.145 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.608 6.937 0.713 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.243 5.970 -0.157 1.00 0.00 C ATOM 1229 C ALA A 866 -5.764 4.808 0.674 1.00 0.00 C ATOM 1230 O ALA A 866 -6.839 4.276 0.415 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.259 5.492 -1.210 1.00 0.00 C ATOM 0 H ALA A 866 -3.623 7.109 0.510 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.085 6.435 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -4.746 4.765 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -3.921 6.341 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.402 5.027 -0.723 1.00 0.00 H new ATOM 1237 N THR A 867 -5.007 4.462 1.708 1.00 0.00 N ATOM 1238 CA THR A 867 -5.379 3.387 2.614 1.00 0.00 C ATOM 1239 C THR A 867 -6.565 3.789 3.484 1.00 0.00 C ATOM 1240 O THR A 867 -7.516 3.029 3.627 1.00 0.00 O ATOM 1241 CB THR A 867 -4.194 2.994 3.519 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.017 2.816 2.725 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.487 1.708 4.280 1.00 0.00 C ATOM 0 H THR A 867 -4.124 4.917 1.940 1.00 0.00 H new ATOM 0 HA THR A 867 -5.661 2.530 2.002 1.00 0.00 H new ATOM 0 HB THR A 867 -4.039 3.796 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.718 3.685 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.634 1.456 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.370 1.847 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.667 0.899 3.572 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.507 4.990 4.051 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.576 5.494 4.908 1.00 0.00 C ATOM 1253 C ALA A 868 -8.921 5.484 4.187 1.00 0.00 C ATOM 1254 O ALA A 868 -9.936 5.081 4.758 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.245 6.898 5.390 1.00 0.00 C ATOM 0 H ALA A 868 -5.727 5.636 3.932 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.656 4.831 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.050 7.263 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.314 6.878 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.134 7.561 4.532 1.00 0.00 H new ATOM 1261 N LYS A 869 -8.925 5.918 2.931 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.148 5.910 2.133 1.00 0.00 C ATOM 1263 C LYS A 869 -10.539 4.479 1.779 1.00 0.00 C ATOM 1264 O LYS A 869 -11.699 4.092 1.906 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.975 6.738 0.857 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.621 8.194 1.118 1.00 0.00 C ATOM 1267 CD LYS A 869 -9.690 9.032 -0.152 1.00 0.00 C ATOM 1268 CE LYS A 869 -8.704 8.561 -1.211 1.00 0.00 C ATOM 1269 NZ LYS A 869 -7.292 8.662 -0.753 1.00 0.00 N ATOM 0 H LYS A 869 -8.103 6.277 2.446 1.00 0.00 H new ATOM 0 HA LYS A 869 -10.943 6.359 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -9.194 6.287 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.898 6.695 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -10.303 8.606 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -8.617 8.254 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -10.701 8.991 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -9.486 10.075 0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -8.925 7.527 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -8.834 9.156 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.657 8.346 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -7.076 9.650 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.155 8.061 0.084 1.00 0.00 H new ATOM 1283 N MET A 870 -9.552 3.702 1.350 1.00 0.00 N ATOM 1284 CA MET A 870 -9.756 2.307 0.968 1.00 0.00 C ATOM 1285 C MET A 870 -10.337 1.482 2.117 1.00 0.00 C ATOM 1286 O MET A 870 -11.356 0.809 1.960 1.00 0.00 O ATOM 1287 CB MET A 870 -8.422 1.710 0.508 1.00 0.00 C ATOM 1288 CG MET A 870 -8.402 0.197 0.447 1.00 0.00 C ATOM 1289 SD MET A 870 -9.699 -0.475 -0.599 1.00 0.00 S ATOM 1290 CE MET A 870 -9.403 -2.220 -0.367 1.00 0.00 C ATOM 0 H MET A 870 -8.587 4.020 1.257 1.00 0.00 H new ATOM 0 HA MET A 870 -10.478 2.277 0.152 1.00 0.00 H new ATOM 0 HB2 MET A 870 -8.182 2.105 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.636 2.045 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.433 -0.134 0.074 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.510 -0.204 1.455 1.00 0.00 H new ATOM 0 HE1 MET A 870 -10.102 -2.792 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.382 -2.459 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.544 -2.477 0.683 1.00 0.00 H new ATOM 1300 N VAL A 871 -9.689 1.554 3.268 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.067 0.757 4.425 1.00 0.00 C ATOM 1302 C VAL A 871 -11.488 1.074 4.890 1.00 0.00 C ATOM 1303 O VAL A 871 -12.282 0.166 5.138 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.057 0.969 5.578 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -9.575 0.409 6.889 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -7.727 0.322 5.226 1.00 0.00 C ATOM 0 H VAL A 871 -8.888 2.165 3.427 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.047 -0.291 4.126 1.00 0.00 H new ATOM 0 HB VAL A 871 -8.919 2.043 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -8.837 0.578 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -10.507 0.907 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -9.753 -0.661 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.021 0.475 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -7.873 -0.747 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.333 0.773 4.315 1.00 0.00 H new ATOM 1316 N GLU A 872 -11.815 2.357 4.977 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.145 2.768 5.412 1.00 0.00 C ATOM 1318 C GLU A 872 -14.202 2.383 4.380 1.00 0.00 C ATOM 1319 O GLU A 872 -15.311 1.981 4.741 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.189 4.271 5.679 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.418 4.688 6.922 1.00 0.00 C ATOM 1322 CD GLU A 872 -12.985 4.078 8.189 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.119 4.431 8.575 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -12.303 3.225 8.795 1.00 0.00 O ATOM 0 H GLU A 872 -11.183 3.126 4.754 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.367 2.244 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -12.783 4.798 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.228 4.583 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.375 4.391 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.433 5.775 7.007 1.00 0.00 H new ATOM 1331 N ALA A 873 -13.858 2.495 3.104 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.773 2.120 2.036 1.00 0.00 C ATOM 1333 C ALA A 873 -15.039 0.619 2.063 1.00 0.00 C ATOM 1334 O ALA A 873 -16.185 0.186 1.960 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.222 2.541 0.684 1.00 0.00 C ATOM 0 H ALA A 873 -12.954 2.842 2.784 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.717 2.640 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -14.921 2.251 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.086 3.622 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.263 2.052 0.514 1.00 0.00 H new ATOM 1341 N ALA A 874 -13.971 -0.161 2.217 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.075 -1.613 2.331 1.00 0.00 C ATOM 1343 C ALA A 874 -15.000 -2.013 3.473 1.00 0.00 C ATOM 1344 O ALA A 874 -15.833 -2.898 3.314 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.695 -2.222 2.535 1.00 0.00 C ATOM 0 H ALA A 874 -13.016 0.193 2.266 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.502 -1.995 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.784 -3.305 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.059 -1.975 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.252 -1.823 3.448 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.855 -1.350 4.618 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.709 -1.618 5.774 1.00 0.00 C ATOM 1353 C LYS A 875 -17.183 -1.449 5.419 1.00 0.00 C ATOM 1354 O LYS A 875 -17.997 -2.343 5.656 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.360 -0.681 6.932 1.00 0.00 C ATOM 1356 CG LYS A 875 -13.979 -0.905 7.518 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.679 0.109 8.607 1.00 0.00 C ATOM 1358 CE LYS A 875 -12.294 -0.095 9.197 1.00 0.00 C ATOM 1359 NZ LYS A 875 -11.973 0.940 10.213 1.00 0.00 N ATOM 0 H LYS A 875 -14.155 -0.624 4.771 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.534 -2.650 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.432 0.350 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.102 -0.805 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -13.913 -1.913 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.229 -0.830 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -13.756 1.116 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -14.427 0.028 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -12.234 -1.083 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -11.551 -0.066 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -11.049 0.730 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -11.939 1.875 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -12.706 0.941 10.951 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.510 -0.304 4.836 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.886 -0.011 4.490 1.00 0.00 C ATOM 1375 C GLY A 876 -19.405 -0.891 3.371 1.00 0.00 C ATOM 1376 O GLY A 876 -20.549 -1.343 3.413 1.00 0.00 O ATOM 0 H GLY A 876 -16.844 0.430 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.514 -0.142 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -18.967 1.035 4.193 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.561 -1.137 2.375 1.00 0.00 N ATOM 1381 CA ALA A 877 -18.943 -1.946 1.222 1.00 0.00 C ATOM 1382 C ALA A 877 -19.121 -3.403 1.611 1.00 0.00 C ATOM 1383 O ALA A 877 -19.937 -4.118 1.035 1.00 0.00 O ATOM 1384 CB ALA A 877 -17.904 -1.819 0.122 1.00 0.00 C ATOM 0 H ALA A 877 -17.604 -0.786 2.343 1.00 0.00 H new ATOM 0 HA ALA A 877 -19.899 -1.575 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.202 -2.428 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -17.825 -0.776 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -16.938 -2.162 0.493 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.346 -3.841 2.584 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.436 -5.205 3.064 1.00 0.00 C ATOM 1392 C ALA A 878 -19.694 -5.404 3.888 1.00 0.00 C ATOM 1393 O ALA A 878 -20.542 -6.229 3.551 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.208 -5.556 3.881 1.00 0.00 C ATOM 0 H ALA A 878 -17.646 -3.270 3.058 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.485 -5.870 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.288 -6.584 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.317 -5.455 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.134 -4.882 4.735 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.819 -4.628 4.963 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.929 -4.780 5.894 1.00 0.00 C ATOM 1402 C ALA A 879 -22.268 -4.511 5.215 1.00 0.00 C ATOM 1403 O ALA A 879 -23.293 -5.066 5.610 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.735 -3.875 7.098 1.00 0.00 C ATOM 0 H ALA A 879 -19.163 -3.887 5.209 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.943 -5.814 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.572 -3.999 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.807 -4.138 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.687 -2.837 6.769 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.261 -3.644 4.208 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.431 -3.461 3.353 1.00 0.00 C ATOM 1412 C HIS A 880 -23.166 -4.094 1.992 1.00 0.00 C ATOM 1413 O HIS A 880 -22.825 -3.398 1.034 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.779 -1.979 3.184 1.00 0.00 C ATOM 1415 CG HIS A 880 -24.205 -1.311 4.453 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -25.513 -0.992 4.737 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -23.481 -0.893 5.516 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -25.575 -0.409 5.918 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -24.355 -0.337 6.415 1.00 0.00 N ATOM 0 H HIS A 880 -21.462 -3.059 3.964 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.283 -3.947 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.912 -1.455 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.578 -1.884 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -22.411 -0.981 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -26.474 -0.051 6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -24.104 0.065 7.318 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.326 -5.423 1.890 1.00 0.00 N ATOM 1428 CA PRO A 881 -22.886 -6.183 0.716 1.00 0.00 C ATOM 1429 C PRO A 881 -23.659 -5.818 -0.551 1.00 0.00 C ATOM 1430 O PRO A 881 -23.086 -5.723 -1.639 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.158 -7.639 1.103 1.00 0.00 C ATOM 1432 CG PRO A 881 -24.201 -7.572 2.161 1.00 0.00 C ATOM 1433 CD PRO A 881 -23.963 -6.288 2.896 1.00 0.00 C ATOM 0 HA PRO A 881 -21.842 -5.977 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -23.503 -8.217 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.254 -8.124 1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -25.200 -7.593 1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -24.129 -8.426 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -24.895 -5.857 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.319 -6.436 3.763 1.00 0.00 H new ATOM 1441 N ASP A 882 -24.965 -5.622 -0.401 1.00 0.00 N ATOM 1442 CA ASP A 882 -25.843 -5.347 -1.537 1.00 0.00 C ATOM 1443 C ASP A 882 -25.717 -3.909 -2.023 1.00 0.00 C ATOM 1444 O ASP A 882 -26.119 -3.589 -3.140 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.303 -5.631 -1.176 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.562 -7.093 -0.884 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -27.825 -7.856 -1.840 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -27.523 -7.483 0.305 1.00 0.00 O ATOM 0 H ASP A 882 -25.442 -5.648 0.500 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.529 -6.010 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -27.579 -5.037 -0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -27.944 -5.310 -1.997 1.00 0.00 H new ATOM 1453 N SER A 883 -25.169 -3.044 -1.183 1.00 0.00 N ATOM 1454 CA SER A 883 -25.086 -1.630 -1.505 1.00 0.00 C ATOM 1455 C SER A 883 -23.921 -1.346 -2.453 1.00 0.00 C ATOM 1456 O SER A 883 -22.760 -1.295 -2.037 1.00 0.00 O ATOM 1457 CB SER A 883 -24.951 -0.813 -0.222 1.00 0.00 C ATOM 1458 OG SER A 883 -26.019 -1.096 0.671 1.00 0.00 O ATOM 0 H SER A 883 -24.777 -3.297 -0.276 1.00 0.00 H new ATOM 0 HA SER A 883 -26.004 -1.338 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.999 -1.038 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 883 -24.943 0.250 -0.462 1.00 0.00 H new ATOM 0 HG SER A 883 -26.004 -0.455 1.412 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.239 -1.163 -3.732 1.00 0.00 N ATOM 1465 CA GLU A 884 -23.229 -0.909 -4.751 1.00 0.00 C ATOM 1466 C GLU A 884 -22.673 0.507 -4.637 1.00 0.00 C ATOM 1467 O GLU A 884 -21.593 0.798 -5.152 1.00 0.00 O ATOM 1468 CB GLU A 884 -23.798 -1.143 -6.150 1.00 0.00 C ATOM 1469 CG GLU A 884 -24.210 -2.584 -6.400 1.00 0.00 C ATOM 1470 CD GLU A 884 -24.586 -2.841 -7.843 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -23.685 -3.152 -8.651 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -25.783 -2.735 -8.182 1.00 0.00 O ATOM 0 H GLU A 884 -25.195 -1.187 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 884 -22.411 -1.610 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -24.662 -0.495 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -23.053 -0.852 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -23.391 -3.246 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -25.055 -2.833 -5.759 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.407 1.383 -3.961 1.00 0.00 N ATOM 1480 CA GLU A 885 -22.921 2.730 -3.692 1.00 0.00 C ATOM 1481 C GLU A 885 -21.666 2.648 -2.830 1.00 0.00 C ATOM 1482 O GLU A 885 -20.697 3.382 -3.034 1.00 0.00 O ATOM 1483 CB GLU A 885 -24.001 3.552 -2.984 1.00 0.00 C ATOM 1484 CG GLU A 885 -23.735 5.048 -2.987 1.00 0.00 C ATOM 1485 CD GLU A 885 -23.652 5.615 -4.390 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -24.489 5.239 -5.239 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -22.759 6.448 -4.650 1.00 0.00 O ATOM 0 H GLU A 885 -24.337 1.186 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.680 3.223 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -24.961 3.362 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -24.087 3.210 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -24.528 5.557 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -22.802 5.250 -2.460 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.691 1.724 -1.877 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.532 1.437 -1.048 1.00 0.00 C ATOM 1496 C GLN A 886 -19.441 0.784 -1.886 1.00 0.00 C ATOM 1497 O GLN A 886 -18.257 1.095 -1.737 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.921 0.505 0.102 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.909 1.104 1.088 1.00 0.00 C ATOM 1500 CD GLN A 886 -21.313 2.227 1.919 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -22.022 3.140 2.343 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -20.014 2.166 2.166 1.00 0.00 N ATOM 0 H GLN A 886 -22.511 1.157 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 886 -20.158 2.374 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.349 -0.407 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -20.019 0.216 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.773 1.483 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -22.270 0.320 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -19.460 1.393 1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -19.567 2.892 2.726 1.00 0.00 H new ATOM 1511 N GLN A 887 -19.855 -0.123 -2.771 1.00 0.00 N ATOM 1512 CA GLN A 887 -18.924 -0.836 -3.640 1.00 0.00 C ATOM 1513 C GLN A 887 -18.146 0.141 -4.509 1.00 0.00 C ATOM 1514 O GLN A 887 -16.939 -0.001 -4.679 1.00 0.00 O ATOM 1515 CB GLN A 887 -19.665 -1.833 -4.536 1.00 0.00 C ATOM 1516 CG GLN A 887 -20.497 -2.852 -3.775 1.00 0.00 C ATOM 1517 CD GLN A 887 -19.683 -3.674 -2.796 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -18.495 -3.924 -3.005 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.322 -4.098 -1.719 1.00 0.00 N ATOM 0 H GLN A 887 -20.833 -0.381 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.229 -1.382 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.316 -1.281 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -18.938 -2.361 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.289 -2.334 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -20.981 -3.521 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.307 -3.867 -1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -19.830 -4.656 -1.021 1.00 0.00 H new ATOM 1528 N GLN A 888 -18.848 1.132 -5.051 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.230 2.150 -5.895 1.00 0.00 C ATOM 1530 C GLN A 888 -17.060 2.802 -5.169 1.00 0.00 C ATOM 1531 O GLN A 888 -15.943 2.840 -5.688 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.267 3.209 -6.303 1.00 0.00 C ATOM 1533 CG GLN A 888 -18.716 4.294 -7.220 1.00 0.00 C ATOM 1534 CD GLN A 888 -18.001 5.404 -6.481 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -18.358 5.753 -5.356 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -16.973 5.947 -7.106 1.00 0.00 N ATOM 0 H GLN A 888 -19.852 1.252 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 888 -17.853 1.670 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.100 2.714 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -19.667 3.677 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -18.027 3.841 -7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -19.536 4.722 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -16.715 5.624 -8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -16.437 6.689 -6.656 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.329 3.302 -3.968 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.308 3.958 -3.162 1.00 0.00 C ATOM 1547 C ARG A 889 -15.122 3.037 -2.941 1.00 0.00 C ATOM 1548 O ARG A 889 -13.969 3.452 -3.049 1.00 0.00 O ATOM 1549 CB ARG A 889 -16.879 4.377 -1.810 1.00 0.00 C ATOM 1550 CG ARG A 889 -17.824 5.561 -1.876 1.00 0.00 C ATOM 1551 CD ARG A 889 -18.431 5.846 -0.514 1.00 0.00 C ATOM 1552 NE ARG A 889 -17.413 5.934 0.531 1.00 0.00 N ATOM 1553 CZ ARG A 889 -17.653 5.729 1.827 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -18.887 5.471 2.246 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -16.658 5.796 2.703 1.00 0.00 N ATOM 0 H ARG A 889 -18.250 3.265 -3.530 1.00 0.00 H new ATOM 0 HA ARG A 889 -15.976 4.844 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.406 3.529 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.055 4.621 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -17.287 6.441 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.616 5.359 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -18.991 6.781 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -19.142 5.059 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 889 -16.460 6.167 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -19.655 5.429 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -19.067 5.315 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -15.712 6.004 2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -16.840 5.640 3.694 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.418 1.783 -2.635 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.390 0.780 -2.429 1.00 0.00 C ATOM 1571 C LEU A 890 -13.551 0.590 -3.683 1.00 0.00 C ATOM 1572 O LEU A 890 -12.327 0.610 -3.627 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.028 -0.550 -2.034 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.080 -1.748 -2.033 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -12.972 -1.554 -1.015 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.849 -3.021 -1.745 1.00 0.00 C ATOM 0 H LEU A 890 -16.371 1.436 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 890 -13.738 1.125 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.459 -0.447 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.851 -0.758 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.624 -1.830 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.308 -2.418 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.405 -0.656 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.406 -1.448 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.164 -3.868 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.328 -2.944 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.610 -3.168 -2.512 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.219 0.418 -4.813 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.542 0.119 -6.065 1.00 0.00 C ATOM 1590 C ARG A 891 -12.584 1.237 -6.467 1.00 0.00 C ATOM 1591 O ARG A 891 -11.443 0.966 -6.836 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.566 -0.147 -7.169 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.423 -1.373 -6.898 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.476 -1.579 -7.970 1.00 0.00 C ATOM 1595 NE ARG A 891 -17.300 -2.762 -7.710 1.00 0.00 N ATOM 1596 CZ ARG A 891 -18.235 -3.212 -8.543 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -18.483 -2.569 -9.677 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -18.928 -4.304 -8.243 1.00 0.00 N ATOM 0 H ARG A 891 -15.234 0.481 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 891 -12.944 -0.781 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.211 0.725 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.045 -0.277 -8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -14.786 -2.255 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -15.909 -1.268 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.115 -0.697 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -15.990 -1.682 -8.940 1.00 0.00 H new ATOM 0 HE ARG A 891 -17.148 -3.271 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -17.956 -1.728 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -19.200 -2.916 -10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -18.744 -4.801 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -19.644 -4.646 -8.884 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.026 2.488 -6.363 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.174 3.612 -6.732 1.00 0.00 C ATOM 1614 C GLU A 892 -11.034 3.785 -5.726 1.00 0.00 C ATOM 1615 O GLU A 892 -9.914 4.153 -6.094 1.00 0.00 O ATOM 1616 CB GLU A 892 -12.980 4.914 -6.850 1.00 0.00 C ATOM 1617 CG GLU A 892 -13.595 5.394 -5.542 1.00 0.00 C ATOM 1618 CD GLU A 892 -14.005 6.850 -5.594 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -13.130 7.724 -5.769 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -15.217 7.131 -5.477 1.00 0.00 O ATOM 0 H GLU A 892 -13.956 2.745 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 892 -11.747 3.389 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -12.329 5.696 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -13.776 4.769 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -14.467 4.783 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -12.879 5.250 -4.733 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.322 3.504 -4.458 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.336 3.650 -3.397 1.00 0.00 C ATOM 1629 C ALA A 893 -9.302 2.538 -3.455 1.00 0.00 C ATOM 1630 O ALA A 893 -8.112 2.782 -3.286 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.014 3.667 -2.036 1.00 0.00 C ATOM 0 H ALA A 893 -12.234 3.173 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 893 -9.823 4.600 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.261 3.777 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -11.711 4.503 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -11.556 2.733 -1.888 1.00 0.00 H new ATOM 1637 N ALA A 894 -9.763 1.319 -3.703 1.00 0.00 N ATOM 1638 CA ALA A 894 -8.882 0.163 -3.780 1.00 0.00 C ATOM 1639 C ALA A 894 -7.870 0.324 -4.900 1.00 0.00 C ATOM 1640 O ALA A 894 -6.689 0.026 -4.729 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.687 -1.110 -3.978 1.00 0.00 C ATOM 0 H ALA A 894 -10.749 1.105 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.340 0.091 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.011 -1.963 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.371 -1.242 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.258 -1.039 -4.904 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.331 0.806 -6.046 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.446 1.042 -7.174 1.00 0.00 C ATOM 1649 C GLU A 895 -6.464 2.158 -6.846 1.00 0.00 C ATOM 1650 O GLU A 895 -5.290 2.080 -7.200 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.244 1.386 -8.429 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.189 0.280 -8.864 1.00 0.00 C ATOM 1653 CD GLU A 895 -9.864 0.580 -10.181 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -10.784 1.419 -10.208 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -9.465 -0.015 -11.205 1.00 0.00 O ATOM 0 H GLU A 895 -9.309 1.040 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 895 -6.887 0.127 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -8.819 2.294 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.552 1.603 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -8.635 -0.655 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -9.948 0.132 -8.096 1.00 0.00 H new ATOM 1662 N GLY A 896 -6.947 3.181 -6.151 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.087 4.273 -5.734 1.00 0.00 C ATOM 1664 C GLY A 896 -5.052 3.817 -4.724 1.00 0.00 C ATOM 1665 O GLY A 896 -3.891 4.217 -4.790 1.00 0.00 O ATOM 0 H GLY A 896 -7.922 3.274 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -5.585 4.694 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -6.693 5.068 -5.300 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.483 2.973 -3.795 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.602 2.391 -2.793 1.00 0.00 C ATOM 1671 C LEU A 897 -3.559 1.500 -3.460 1.00 0.00 C ATOM 1672 O LEU A 897 -2.361 1.620 -3.196 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.446 1.599 -1.774 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.695 0.935 -0.606 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.154 -0.427 -1.005 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.567 1.827 -0.114 1.00 0.00 C ATOM 0 H LEU A 897 -6.455 2.673 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.070 3.183 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.192 2.274 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -5.986 0.822 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.407 0.793 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.629 -0.872 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.980 -1.074 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.465 -0.314 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.050 1.338 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -2.864 2.006 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -3.977 2.778 0.227 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.023 0.617 -4.332 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.144 -0.297 -5.047 1.00 0.00 C ATOM 1690 C ARG A 898 -2.148 0.497 -5.887 1.00 0.00 C ATOM 1691 O ARG A 898 -0.954 0.196 -5.904 1.00 0.00 O ATOM 1692 CB ARG A 898 -3.978 -1.221 -5.937 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.290 -2.524 -6.306 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.201 -3.401 -7.152 1.00 0.00 C ATOM 1695 NE ARG A 898 -3.687 -4.764 -7.302 1.00 0.00 N ATOM 1696 CZ ARG A 898 -3.784 -5.472 -8.428 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -4.362 -4.947 -9.502 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -3.309 -6.710 -8.476 1.00 0.00 N ATOM 0 H ARG A 898 -5.011 0.514 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.590 -0.905 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -4.914 -1.450 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.236 -0.688 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.372 -2.312 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -3.004 -3.058 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -5.190 -3.438 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -4.320 -2.951 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 898 -3.229 -5.196 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -4.734 -3.998 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -4.434 -5.493 -10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -2.870 -7.120 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -3.383 -7.252 -9.337 1.00 0.00 H new ATOM 1712 N MET A 899 -2.654 1.531 -6.551 1.00 0.00 N ATOM 1713 CA MET A 899 -1.834 2.395 -7.391 1.00 0.00 C ATOM 1714 C MET A 899 -0.805 3.149 -6.551 1.00 0.00 C ATOM 1715 O MET A 899 0.370 3.190 -6.898 1.00 0.00 O ATOM 1716 CB MET A 899 -2.724 3.384 -8.149 1.00 0.00 C ATOM 1717 CG MET A 899 -1.982 4.263 -9.142 1.00 0.00 C ATOM 1718 SD MET A 899 -3.093 5.367 -10.043 1.00 0.00 S ATOM 1719 CE MET A 899 -3.734 6.373 -8.706 1.00 0.00 C ATOM 0 H MET A 899 -3.639 1.792 -6.522 1.00 0.00 H new ATOM 0 HA MET A 899 -1.299 1.773 -8.109 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.495 2.826 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.234 4.022 -7.427 1.00 0.00 H new ATOM 0 HG2 MET A 899 -1.235 4.855 -8.613 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.445 3.633 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 899 -3.908 7.387 -9.065 1.00 0.00 H new ATOM 0 HE2 MET A 899 -4.672 5.949 -8.349 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.012 6.396 -7.889 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.253 3.728 -5.439 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.368 4.474 -4.548 1.00 0.00 C ATOM 1731 C ALA A 900 0.743 3.580 -4.015 1.00 0.00 C ATOM 1732 O ALA A 900 1.910 3.966 -3.988 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.154 5.075 -3.393 1.00 0.00 C ATOM 0 H ALA A 900 -2.226 3.695 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 900 0.084 5.282 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -0.477 5.627 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -1.914 5.752 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -1.635 4.278 -2.826 1.00 0.00 H new ATOM 1739 N THR A 901 0.368 2.377 -3.606 1.00 0.00 N ATOM 1740 CA THR A 901 1.319 1.409 -3.084 1.00 0.00 C ATOM 1741 C THR A 901 2.319 0.990 -4.158 1.00 0.00 C ATOM 1742 O THR A 901 3.532 1.043 -3.949 1.00 0.00 O ATOM 1743 CB THR A 901 0.593 0.161 -2.558 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.397 0.544 -1.596 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.574 -0.810 -1.927 1.00 0.00 C ATOM 0 H THR A 901 -0.597 2.047 -3.626 1.00 0.00 H new ATOM 0 HA THR A 901 1.855 1.888 -2.265 1.00 0.00 H new ATOM 0 HB THR A 901 0.110 -0.336 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.139 0.993 -2.052 1.00 0.00 H new ATOM 0 HG21 THR A 901 1.036 -1.685 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.309 -1.119 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 901 2.083 -0.324 -1.095 1.00 0.00 H new ATOM 1753 N ASN A 902 1.797 0.581 -5.306 1.00 0.00 N ATOM 1754 CA ASN A 902 2.620 0.159 -6.427 1.00 0.00 C ATOM 1755 C ASN A 902 3.561 1.295 -6.841 1.00 0.00 C ATOM 1756 O ASN A 902 4.740 1.076 -7.112 1.00 0.00 O ATOM 1757 CB ASN A 902 1.731 -0.244 -7.609 1.00 0.00 C ATOM 1758 CG ASN A 902 2.466 -1.057 -8.662 1.00 0.00 C ATOM 1759 OD1 ASN A 902 3.676 -0.921 -8.853 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.735 -1.920 -9.348 1.00 0.00 N ATOM 0 H ASN A 902 0.794 0.533 -5.485 1.00 0.00 H new ATOM 0 HA ASN A 902 3.216 -0.702 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.885 -0.822 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 902 1.324 0.655 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.171 -2.502 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.736 -2.004 -9.161 1.00 0.00 H new ATOM 1767 N ALA A 903 3.026 2.515 -6.869 1.00 0.00 N ATOM 1768 CA ALA A 903 3.815 3.696 -7.198 1.00 0.00 C ATOM 1769 C ALA A 903 4.911 3.926 -6.164 1.00 0.00 C ATOM 1770 O ALA A 903 6.054 4.206 -6.519 1.00 0.00 O ATOM 1771 CB ALA A 903 2.926 4.924 -7.305 1.00 0.00 C ATOM 0 H ALA A 903 2.045 2.709 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 903 4.287 3.523 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.535 5.794 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 903 2.183 4.768 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 903 2.421 5.092 -6.354 1.00 0.00 H new ATOM 1777 N ALA A 904 4.561 3.807 -4.886 1.00 0.00 N ATOM 1778 CA ALA A 904 5.542 3.922 -3.809 1.00 0.00 C ATOM 1779 C ALA A 904 6.644 2.882 -3.974 1.00 0.00 C ATOM 1780 O ALA A 904 7.806 3.137 -3.664 1.00 0.00 O ATOM 1781 CB ALA A 904 4.871 3.767 -2.452 1.00 0.00 C ATOM 0 H ALA A 904 3.607 3.631 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 904 5.990 4.914 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.619 3.856 -1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 904 4.118 4.545 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 904 4.395 2.789 -2.391 1.00 0.00 H new ATOM 1787 N ALA A 905 6.265 1.715 -4.478 1.00 0.00 N ATOM 1788 CA ALA A 905 7.214 0.648 -4.759 1.00 0.00 C ATOM 1789 C ALA A 905 8.210 1.072 -5.835 1.00 0.00 C ATOM 1790 O ALA A 905 9.408 0.822 -5.722 1.00 0.00 O ATOM 1791 CB ALA A 905 6.470 -0.610 -5.187 1.00 0.00 C ATOM 0 H ALA A 905 5.297 1.483 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 905 7.774 0.436 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 905 7.187 -1.404 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.801 -0.927 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.889 -0.401 -6.085 1.00 0.00 H new ATOM 1797 N GLN A 906 7.705 1.738 -6.870 1.00 0.00 N ATOM 1798 CA GLN A 906 8.544 2.220 -7.964 1.00 0.00 C ATOM 1799 C GLN A 906 9.417 3.383 -7.494 1.00 0.00 C ATOM 1800 O GLN A 906 10.468 3.665 -8.070 1.00 0.00 O ATOM 1801 CB GLN A 906 7.682 2.672 -9.148 1.00 0.00 C ATOM 1802 CG GLN A 906 6.626 1.660 -9.572 1.00 0.00 C ATOM 1803 CD GLN A 906 7.206 0.310 -9.945 1.00 0.00 C ATOM 1804 OE1 GLN A 906 8.333 0.210 -10.431 1.00 0.00 O ATOM 1805 NE2 GLN A 906 6.432 -0.741 -9.729 1.00 0.00 N ATOM 0 H GLN A 906 6.714 1.957 -6.974 1.00 0.00 H new ATOM 0 HA GLN A 906 9.184 1.398 -8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 906 7.188 3.608 -8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 906 8.332 2.880 -9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 906 5.911 1.529 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 906 6.072 2.058 -10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 906 5.504 -0.616 -9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 906 6.763 -1.676 -9.967 1.00 0.00 H new ATOM 1814 N ASN A 907 8.965 4.052 -6.440 1.00 0.00 N ATOM 1815 CA ASN A 907 9.662 5.215 -5.895 1.00 0.00 C ATOM 1816 C ASN A 907 10.862 4.810 -5.049 1.00 0.00 C ATOM 1817 O ASN A 907 11.607 5.671 -4.580 1.00 0.00 O ATOM 1818 CB ASN A 907 8.711 6.077 -5.062 1.00 0.00 C ATOM 1819 CG ASN A 907 8.017 7.142 -5.887 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.513 8.253 -6.021 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.866 6.813 -6.447 1.00 0.00 N ATOM 0 H ASN A 907 8.110 3.807 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 907 10.024 5.796 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 907 7.961 5.438 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 907 9.270 6.553 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 907 6.361 7.495 -7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 907 6.483 5.877 -6.313 1.00 0.00 H new ATOM 1828 N ALA A 908 11.033 3.509 -4.838 1.00 0.00 N ATOM 1829 CA ALA A 908 12.164 3.004 -4.071 1.00 0.00 C ATOM 1830 C ALA A 908 13.481 3.298 -4.784 1.00 0.00 C ATOM 1831 O ALA A 908 13.956 2.504 -5.598 1.00 0.00 O ATOM 1832 CB ALA A 908 12.013 1.509 -3.822 1.00 0.00 C ATOM 0 H ALA A 908 10.403 2.787 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 908 12.179 3.516 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.866 1.148 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 908 11.095 1.324 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.969 0.984 -4.776 1.00 0.00 H new