USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 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= 0.0946 K(o=0.25,f=-0.71!) USER MOD Set 1.2: A 906 GLN : amide:sc= 0.16 K(o=0.25,f=-0.44) USER MOD Set 2.1: A 852 ASN : amide:sc= 1.74 K(o=2.3,f=-3.9!) USER MOD Set 2.2: A 855 LYS NZ :NH3+ 170:sc= 0.573 (180deg=0) USER MOD Set 3.1: A 833 THR OG1 : rot 74:sc= 1.24 USER MOD Set 3.2: A 867 THR OG1 : rot 68:sc= -2.02! USER MOD Set 4.1: A 816 MET CE :methyl 180:sc= -1.02 (180deg=-0.983) USER MOD Set 4.2: A 822 MET CE :methyl 162:sc= -0.128 (180deg=-0.629) USER MOD Set 4.3: A 887 GLN : amide:sc= 0.851 K(o=-0.29,f=-4.4) USER MOD Single : A 798 TYR OH : rot 89:sc= 0.538 USER MOD Single : A 800 GLN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 802 THR OG1 : rot 140:sc= -0.389 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 809 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 811 ASN : amide:sc= 1.13 K(o=1.1,f=-0.00052) USER MOD Single : A 814 SER OG : rot 75:sc= 0.0551 USER MOD Single : A 815 SER OG : rot 82:sc= 1.33 USER MOD Single : A 825 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4.1!) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 838 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) 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 101:sc= 1.22 USER MOD Single : A 858 SER OG : rot 88:sc= 1.28 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 176:sc= -0.213 (180deg=-0.222) USER MOD Single : A 875 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0206) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=-0.00067) USER MOD Single : A 883 SER OG : rot 160:sc= 0 USER MOD Single : A 886 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.23) USER MOD Single : A 888 GLN : amide:sc= 0.587 K(o=0.59,f=-3.2!) USER MOD Single : A 899 MET CE :methyl 144:sc= -0.195 (180deg=-0.851) USER MOD Single : A 901 THR OG1 : rot 74:sc= 0.974 USER MOD Single : A 907 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 11.111 -0.205 -0.728 1.00 0.00 N ATOM 220 CA TYR A 798 9.685 -0.460 -0.555 1.00 0.00 C ATOM 221 C TYR A 798 9.197 -1.574 -1.470 1.00 0.00 C ATOM 222 O TYR A 798 8.114 -2.114 -1.266 1.00 0.00 O ATOM 223 CB TYR A 798 8.875 0.809 -0.852 1.00 0.00 C ATOM 224 CG TYR A 798 9.536 2.089 -0.393 1.00 0.00 C ATOM 225 CD1 TYR A 798 9.944 2.237 0.926 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.750 3.146 -1.269 1.00 0.00 C ATOM 227 CE1 TYR A 798 10.543 3.399 1.360 1.00 0.00 C ATOM 228 CE2 TYR A 798 10.349 4.314 -0.840 1.00 0.00 C ATOM 229 CZ TYR A 798 10.757 4.448 0.422 1.00 0.00 C ATOM 230 OH TYR A 798 11.344 5.593 0.909 1.00 0.00 O ATOM 0 HA TYR A 798 9.539 -0.766 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 798 8.697 0.870 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 798 7.900 0.725 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 798 9.789 1.427 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 798 9.443 3.053 -2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 798 10.844 3.512 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 798 10.489 5.129 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 798 12.319 5.514 0.843 1.00 0.00 H new ATOM 240 N ASP A 799 10.015 -1.940 -2.449 1.00 0.00 N ATOM 241 CA ASP A 799 9.570 -2.802 -3.539 1.00 0.00 C ATOM 242 C ASP A 799 9.277 -4.226 -3.070 1.00 0.00 C ATOM 243 O ASP A 799 8.508 -4.946 -3.707 1.00 0.00 O ATOM 244 CB ASP A 799 10.600 -2.801 -4.676 1.00 0.00 C ATOM 245 CG ASP A 799 12.008 -3.126 -4.213 1.00 0.00 C ATOM 246 OD1 ASP A 799 12.564 -2.350 -3.406 1.00 0.00 O ATOM 247 OD2 ASP A 799 12.560 -4.164 -4.651 1.00 0.00 O ATOM 0 H ASP A 799 10.992 -1.653 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 799 8.631 -2.394 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 799 10.297 -3.526 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 799 10.600 -1.822 -5.156 1.00 0.00 H new ATOM 252 N GLN A 800 9.887 -4.637 -1.966 1.00 0.00 N ATOM 253 CA GLN A 800 9.579 -5.935 -1.369 1.00 0.00 C ATOM 254 C GLN A 800 8.218 -5.893 -0.678 1.00 0.00 C ATOM 255 O GLN A 800 7.378 -6.773 -0.871 1.00 0.00 O ATOM 256 CB GLN A 800 10.647 -6.361 -0.353 1.00 0.00 C ATOM 257 CG GLN A 800 12.062 -6.450 -0.910 1.00 0.00 C ATOM 258 CD GLN A 800 12.694 -5.090 -1.124 1.00 0.00 C ATOM 259 OE1 GLN A 800 12.374 -4.129 -0.421 1.00 0.00 O ATOM 260 NE2 GLN A 800 13.597 -4.997 -2.080 1.00 0.00 N ATOM 0 H GLN A 800 10.593 -4.097 -1.467 1.00 0.00 H new ATOM 0 HA GLN A 800 9.561 -6.666 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.642 -5.653 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.371 -7.333 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 800 12.681 -7.030 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 800 12.042 -6.990 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 800 13.834 -5.816 -2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 800 14.059 -4.106 -2.260 1.00 0.00 H new ATOM 269 N ALA A 801 8.011 -4.855 0.127 1.00 0.00 N ATOM 270 CA ALA A 801 6.803 -4.725 0.933 1.00 0.00 C ATOM 271 C ALA A 801 5.570 -4.453 0.076 1.00 0.00 C ATOM 272 O ALA A 801 4.482 -4.954 0.365 1.00 0.00 O ATOM 273 CB ALA A 801 6.979 -3.619 1.962 1.00 0.00 C ATOM 0 H ALA A 801 8.671 -4.086 0.238 1.00 0.00 H new ATOM 0 HA ALA A 801 6.644 -5.675 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 801 6.071 -3.530 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.820 -3.858 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 801 7.172 -2.675 1.452 1.00 0.00 H new ATOM 279 N THR A 802 5.747 -3.669 -0.982 1.00 0.00 N ATOM 280 CA THR A 802 4.641 -3.306 -1.857 1.00 0.00 C ATOM 281 C THR A 802 4.010 -4.537 -2.493 1.00 0.00 C ATOM 282 O THR A 802 2.793 -4.595 -2.666 1.00 0.00 O ATOM 283 CB THR A 802 5.097 -2.334 -2.958 1.00 0.00 C ATOM 284 OG1 THR A 802 6.334 -2.784 -3.524 1.00 0.00 O ATOM 285 CG2 THR A 802 5.268 -0.931 -2.399 1.00 0.00 C ATOM 0 H THR A 802 6.647 -3.273 -1.254 1.00 0.00 H new ATOM 0 HA THR A 802 3.894 -2.810 -1.237 1.00 0.00 H new ATOM 0 HB THR A 802 4.332 -2.308 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.318 -2.648 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.591 -0.259 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.318 -0.583 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 802 6.018 -0.943 -1.608 1.00 0.00 H new ATOM 293 N ASP A 803 4.843 -5.529 -2.803 1.00 0.00 N ATOM 294 CA ASP A 803 4.379 -6.782 -3.401 1.00 0.00 C ATOM 295 C ASP A 803 3.226 -7.370 -2.592 1.00 0.00 C ATOM 296 O ASP A 803 2.238 -7.851 -3.150 1.00 0.00 O ATOM 297 CB ASP A 803 5.533 -7.791 -3.480 1.00 0.00 C ATOM 298 CG ASP A 803 5.111 -9.125 -4.074 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.628 -10.000 -3.319 1.00 0.00 O ATOM 300 OD2 ASP A 803 5.269 -9.309 -5.301 1.00 0.00 O ATOM 0 H ASP A 803 5.850 -5.489 -2.649 1.00 0.00 H new ATOM 0 HA ASP A 803 4.023 -6.570 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 803 6.338 -7.369 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.935 -7.955 -2.480 1.00 0.00 H new ATOM 305 N THR A 804 3.349 -7.293 -1.277 1.00 0.00 N ATOM 306 CA THR A 804 2.327 -7.800 -0.381 1.00 0.00 C ATOM 307 C THR A 804 1.058 -6.949 -0.447 1.00 0.00 C ATOM 308 O THR A 804 -0.040 -7.477 -0.608 1.00 0.00 O ATOM 309 CB THR A 804 2.851 -7.843 1.066 1.00 0.00 C ATOM 310 OG1 THR A 804 4.043 -8.638 1.114 1.00 0.00 O ATOM 311 CG2 THR A 804 1.808 -8.417 2.014 1.00 0.00 C ATOM 0 H THR A 804 4.154 -6.881 -0.805 1.00 0.00 H new ATOM 0 HA THR A 804 2.079 -8.812 -0.703 1.00 0.00 H new ATOM 0 HB THR A 804 3.070 -6.824 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.381 -8.666 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 804 2.208 -8.434 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.912 -7.797 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.556 -9.432 1.706 1.00 0.00 H new ATOM 319 N ILE A 805 1.217 -5.632 -0.352 1.00 0.00 N ATOM 320 CA ILE A 805 0.075 -4.724 -0.344 1.00 0.00 C ATOM 321 C ILE A 805 -0.732 -4.834 -1.637 1.00 0.00 C ATOM 322 O ILE A 805 -1.960 -4.910 -1.600 1.00 0.00 O ATOM 323 CB ILE A 805 0.506 -3.260 -0.122 1.00 0.00 C ATOM 324 CG1 ILE A 805 1.147 -3.101 1.259 1.00 0.00 C ATOM 325 CG2 ILE A 805 -0.687 -2.323 -0.272 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.603 -1.692 1.559 1.00 0.00 C ATOM 0 H ILE A 805 2.124 -5.171 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 805 -0.556 -5.025 0.492 1.00 0.00 H new ATOM 0 HB ILE A 805 1.244 -2.995 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.431 -3.411 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 805 2.002 -3.773 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.364 -1.294 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.103 -2.421 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.448 -2.583 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 805 2.046 -1.657 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 805 2.344 -1.384 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.748 -1.017 1.519 1.00 0.00 H new ATOM 338 N LEU A 806 -0.041 -4.858 -2.778 1.00 0.00 N ATOM 339 CA LEU A 806 -0.713 -5.037 -4.062 1.00 0.00 C ATOM 340 C LEU A 806 -1.547 -6.318 -4.056 1.00 0.00 C ATOM 341 O LEU A 806 -2.705 -6.314 -4.470 1.00 0.00 O ATOM 342 CB LEU A 806 0.290 -5.076 -5.227 1.00 0.00 C ATOM 343 CG LEU A 806 0.686 -3.712 -5.814 1.00 0.00 C ATOM 344 CD1 LEU A 806 -0.540 -2.835 -5.998 1.00 0.00 C ATOM 345 CD2 LEU A 806 1.714 -3.009 -4.949 1.00 0.00 C ATOM 0 H LEU A 806 0.972 -4.757 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.369 -4.179 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.194 -5.580 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 806 -0.133 -5.685 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 806 1.140 -3.892 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 806 -0.240 -1.873 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -1.238 -3.323 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -1.023 -2.678 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.970 -2.048 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.302 -2.848 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.610 -3.625 -4.876 1.00 0.00 H new ATOM 357 N THR A 807 -0.961 -7.396 -3.542 1.00 0.00 N ATOM 358 CA THR A 807 -1.630 -8.692 -3.492 1.00 0.00 C ATOM 359 C THR A 807 -2.852 -8.655 -2.568 1.00 0.00 C ATOM 360 O THR A 807 -3.934 -9.120 -2.932 1.00 0.00 O ATOM 361 CB THR A 807 -0.663 -9.796 -3.020 1.00 0.00 C ATOM 362 OG1 THR A 807 0.524 -9.785 -3.825 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.318 -11.168 -3.107 1.00 0.00 C ATOM 0 H THR A 807 -0.018 -7.397 -3.152 1.00 0.00 H new ATOM 0 HA THR A 807 -1.964 -8.919 -4.505 1.00 0.00 H new ATOM 0 HB THR A 807 -0.405 -9.597 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.026 -8.961 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.615 -11.929 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.206 -11.188 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.602 -11.371 -4.140 1.00 0.00 H new ATOM 371 N VAL A 808 -2.681 -8.095 -1.374 1.00 0.00 N ATOM 372 CA VAL A 808 -3.774 -8.013 -0.411 1.00 0.00 C ATOM 373 C VAL A 808 -4.913 -7.158 -0.964 1.00 0.00 C ATOM 374 O VAL A 808 -6.082 -7.452 -0.737 1.00 0.00 O ATOM 375 CB VAL A 808 -3.307 -7.444 0.949 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.461 -7.395 1.941 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.166 -8.274 1.515 1.00 0.00 C ATOM 0 H VAL A 808 -1.801 -7.693 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.131 -9.030 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 808 -2.950 -6.428 0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.108 -6.991 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.252 -6.757 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -4.850 -8.401 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -1.852 -7.857 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.500 -9.301 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.326 -8.260 0.820 1.00 0.00 H new ATOM 387 N THR A 809 -4.559 -6.120 -1.716 1.00 0.00 N ATOM 388 CA THR A 809 -5.545 -5.261 -2.362 1.00 0.00 C ATOM 389 C THR A 809 -6.446 -6.064 -3.299 1.00 0.00 C ATOM 390 O THR A 809 -7.674 -5.946 -3.257 1.00 0.00 O ATOM 391 CB THR A 809 -4.856 -4.147 -3.169 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.056 -3.337 -2.302 1.00 0.00 O ATOM 393 CG2 THR A 809 -5.884 -3.286 -3.885 1.00 0.00 C ATOM 0 H THR A 809 -3.591 -5.853 -1.893 1.00 0.00 H new ATOM 0 HA THR A 809 -6.152 -4.817 -1.573 1.00 0.00 H new ATOM 0 HB THR A 809 -4.214 -4.611 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.200 -3.784 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.375 -2.505 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.466 -3.906 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.550 -2.829 -3.153 1.00 0.00 H new ATOM 401 N GLU A 810 -5.823 -6.890 -4.132 1.00 0.00 N ATOM 402 CA GLU A 810 -6.545 -7.725 -5.084 1.00 0.00 C ATOM 403 C GLU A 810 -7.499 -8.667 -4.351 1.00 0.00 C ATOM 404 O GLU A 810 -8.538 -9.066 -4.879 1.00 0.00 O ATOM 405 CB GLU A 810 -5.547 -8.535 -5.917 1.00 0.00 C ATOM 406 CG GLU A 810 -4.503 -7.676 -6.618 1.00 0.00 C ATOM 407 CD GLU A 810 -3.401 -8.495 -7.265 1.00 0.00 C ATOM 408 OE1 GLU A 810 -2.534 -9.019 -6.535 1.00 0.00 O ATOM 409 OE2 GLU A 810 -3.397 -8.627 -8.505 1.00 0.00 O ATOM 0 H GLU A 810 -4.809 -6.999 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.130 -7.084 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -5.041 -9.251 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -6.093 -9.111 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.992 -7.068 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.062 -6.988 -5.896 1.00 0.00 H new ATOM 416 N ASN A 811 -7.150 -8.977 -3.109 1.00 0.00 N ATOM 417 CA ASN A 811 -7.892 -9.943 -2.314 1.00 0.00 C ATOM 418 C ASN A 811 -9.269 -9.435 -1.901 1.00 0.00 C ATOM 419 O ASN A 811 -10.155 -10.236 -1.610 1.00 0.00 O ATOM 420 CB ASN A 811 -7.094 -10.340 -1.070 1.00 0.00 C ATOM 421 CG ASN A 811 -6.251 -11.583 -1.279 1.00 0.00 C ATOM 422 OD1 ASN A 811 -6.687 -12.694 -0.987 1.00 0.00 O ATOM 423 ND2 ASN A 811 -5.042 -11.408 -1.788 1.00 0.00 N ATOM 0 H ASN A 811 -6.349 -8.568 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.044 -10.816 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.446 -9.512 -0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.782 -10.510 -0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.436 -12.212 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.716 -10.469 -2.017 1.00 0.00 H new ATOM 430 N ILE A 812 -9.461 -8.119 -1.865 1.00 0.00 N ATOM 431 CA ILE A 812 -10.761 -7.564 -1.482 1.00 0.00 C ATOM 432 C ILE A 812 -11.824 -7.937 -2.509 1.00 0.00 C ATOM 433 O ILE A 812 -12.940 -8.320 -2.154 1.00 0.00 O ATOM 434 CB ILE A 812 -10.735 -6.024 -1.299 1.00 0.00 C ATOM 435 CG1 ILE A 812 -9.997 -5.636 -0.012 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.146 -5.454 -1.275 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.493 -5.679 -0.129 1.00 0.00 C ATOM 0 H ILE A 812 -8.748 -7.425 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 812 -11.006 -8.001 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.201 -5.602 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.300 -4.630 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.308 -6.307 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.099 -4.373 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.648 -5.686 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.702 -5.895 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.046 -5.392 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.177 -6.689 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.169 -4.987 -0.906 1.00 0.00 H new ATOM 449 N PHE A 813 -11.463 -7.856 -3.782 1.00 0.00 N ATOM 450 CA PHE A 813 -12.383 -8.199 -4.858 1.00 0.00 C ATOM 451 C PHE A 813 -12.652 -9.699 -4.872 1.00 0.00 C ATOM 452 O PHE A 813 -13.714 -10.147 -5.300 1.00 0.00 O ATOM 453 CB PHE A 813 -11.830 -7.732 -6.205 1.00 0.00 C ATOM 454 CG PHE A 813 -11.761 -6.235 -6.323 1.00 0.00 C ATOM 455 CD1 PHE A 813 -12.834 -5.514 -6.819 1.00 0.00 C ATOM 456 CD2 PHE A 813 -10.615 -5.553 -5.949 1.00 0.00 C ATOM 457 CE1 PHE A 813 -12.767 -4.140 -6.939 1.00 0.00 C ATOM 458 CE2 PHE A 813 -10.542 -4.178 -6.064 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.651 -3.466 -6.524 1.00 0.00 C ATOM 0 H PHE A 813 -10.540 -7.556 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.328 -7.686 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.833 -8.149 -6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.457 -8.126 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -13.734 -6.032 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -9.769 -6.102 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -13.598 -3.596 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -9.633 -3.658 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.628 -2.387 -6.552 1.00 0.00 H new ATOM 469 N SER A 814 -11.688 -10.467 -4.391 1.00 0.00 N ATOM 470 CA SER A 814 -11.855 -11.904 -4.244 1.00 0.00 C ATOM 471 C SER A 814 -12.730 -12.216 -3.025 1.00 0.00 C ATOM 472 O SER A 814 -13.424 -13.230 -2.983 1.00 0.00 O ATOM 473 CB SER A 814 -10.484 -12.561 -4.099 1.00 0.00 C ATOM 474 OG SER A 814 -9.607 -12.122 -5.124 1.00 0.00 O ATOM 0 H SER A 814 -10.777 -10.117 -4.094 1.00 0.00 H new ATOM 0 HA SER A 814 -12.351 -12.302 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 814 -10.061 -12.320 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.588 -13.645 -4.142 1.00 0.00 H new ATOM 0 HG SER A 814 -9.310 -11.208 -4.931 1.00 0.00 H new ATOM 480 N SER A 815 -12.692 -11.326 -2.040 1.00 0.00 N ATOM 481 CA SER A 815 -13.476 -11.483 -0.821 1.00 0.00 C ATOM 482 C SER A 815 -14.902 -10.969 -1.003 1.00 0.00 C ATOM 483 O SER A 815 -15.717 -11.066 -0.085 1.00 0.00 O ATOM 484 CB SER A 815 -12.802 -10.749 0.336 1.00 0.00 C ATOM 485 OG SER A 815 -11.469 -11.198 0.516 1.00 0.00 O ATOM 0 H SER A 815 -12.121 -10.481 -2.063 1.00 0.00 H new ATOM 0 HA SER A 815 -13.528 -12.548 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.805 -9.676 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.370 -10.909 1.253 1.00 0.00 H new ATOM 0 HG SER A 815 -10.882 -10.747 -0.126 1.00 0.00 H new ATOM 491 N MET A 816 -15.185 -10.407 -2.180 1.00 0.00 N ATOM 492 CA MET A 816 -16.507 -9.860 -2.491 1.00 0.00 C ATOM 493 C MET A 816 -17.621 -10.828 -2.114 1.00 0.00 C ATOM 494 O MET A 816 -17.638 -11.982 -2.549 1.00 0.00 O ATOM 495 CB MET A 816 -16.605 -9.518 -3.975 1.00 0.00 C ATOM 496 CG MET A 816 -16.159 -8.105 -4.286 1.00 0.00 C ATOM 497 SD MET A 816 -17.266 -6.874 -3.581 1.00 0.00 S ATOM 498 CE MET A 816 -16.366 -5.381 -3.970 1.00 0.00 C ATOM 0 H MET A 816 -14.510 -10.319 -2.939 1.00 0.00 H new ATOM 0 HA MET A 816 -16.631 -8.953 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 816 -15.996 -10.219 -4.545 1.00 0.00 H new ATOM 0 HB3 MET A 816 -17.635 -9.649 -4.305 1.00 0.00 H new ATOM 0 HG2 MET A 816 -15.152 -7.950 -3.899 1.00 0.00 H new ATOM 0 HG3 MET A 816 -16.109 -7.971 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 816 -16.918 -4.517 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.384 -5.414 -3.497 1.00 0.00 H new ATOM 0 HE3 MET A 816 -16.246 -5.300 -5.050 1.00 0.00 H new ATOM 508 N GLY A 817 -18.542 -10.352 -1.295 1.00 0.00 N ATOM 509 CA GLY A 817 -19.632 -11.182 -0.841 1.00 0.00 C ATOM 510 C GLY A 817 -19.736 -11.196 0.667 1.00 0.00 C ATOM 511 O GLY A 817 -20.691 -10.660 1.233 1.00 0.00 O ATOM 0 H GLY A 817 -18.553 -9.398 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.567 -10.819 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.490 -12.200 -1.205 1.00 0.00 H new ATOM 515 N ASP A 818 -18.745 -11.787 1.319 1.00 0.00 N ATOM 516 CA ASP A 818 -18.739 -11.880 2.771 1.00 0.00 C ATOM 517 C ASP A 818 -18.133 -10.624 3.387 1.00 0.00 C ATOM 518 O ASP A 818 -17.037 -10.203 3.015 1.00 0.00 O ATOM 519 CB ASP A 818 -17.967 -13.115 3.237 1.00 0.00 C ATOM 520 CG ASP A 818 -18.073 -13.324 4.735 1.00 0.00 C ATOM 521 OD1 ASP A 818 -17.278 -12.723 5.483 1.00 0.00 O ATOM 522 OD2 ASP A 818 -18.962 -14.087 5.172 1.00 0.00 O ATOM 0 H ASP A 818 -17.935 -12.209 0.865 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.773 -11.972 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -18.348 -13.996 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.918 -13.012 2.959 1.00 0.00 H new ATOM 527 N ALA A 819 -18.852 -10.041 4.334 1.00 0.00 N ATOM 528 CA ALA A 819 -18.440 -8.797 4.967 1.00 0.00 C ATOM 529 C ALA A 819 -17.143 -8.969 5.753 1.00 0.00 C ATOM 530 O ALA A 819 -16.178 -8.232 5.541 1.00 0.00 O ATOM 531 CB ALA A 819 -19.551 -8.294 5.875 1.00 0.00 C ATOM 0 H ALA A 819 -19.734 -10.415 4.684 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.251 -8.062 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.241 -7.362 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.451 -8.119 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -19.759 -9.039 6.643 1.00 0.00 H new ATOM 537 N GLY A 820 -17.132 -9.942 6.653 1.00 0.00 N ATOM 538 CA GLY A 820 -15.960 -10.214 7.470 1.00 0.00 C ATOM 539 C GLY A 820 -14.691 -10.389 6.655 1.00 0.00 C ATOM 540 O GLY A 820 -13.648 -9.826 7.000 1.00 0.00 O ATOM 0 H GLY A 820 -17.925 -10.557 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -15.820 -9.396 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.135 -11.116 8.056 1.00 0.00 H new ATOM 544 N GLU A 821 -14.781 -11.162 5.573 1.00 0.00 N ATOM 545 CA GLU A 821 -13.640 -11.380 4.683 1.00 0.00 C ATOM 546 C GLU A 821 -13.077 -10.057 4.171 1.00 0.00 C ATOM 547 O GLU A 821 -11.880 -9.791 4.287 1.00 0.00 O ATOM 548 CB GLU A 821 -14.049 -12.246 3.489 1.00 0.00 C ATOM 549 CG GLU A 821 -14.276 -13.707 3.825 1.00 0.00 C ATOM 550 CD GLU A 821 -13.008 -14.399 4.276 1.00 0.00 C ATOM 551 OE1 GLU A 821 -12.101 -14.597 3.437 1.00 0.00 O ATOM 552 OE2 GLU A 821 -12.910 -14.755 5.467 1.00 0.00 O ATOM 0 H GLU A 821 -15.632 -11.648 5.291 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.869 -11.892 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.963 -11.839 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -13.276 -12.177 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -15.028 -13.784 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -14.675 -14.220 2.950 1.00 0.00 H new ATOM 559 N MET A 822 -13.958 -9.230 3.618 1.00 0.00 N ATOM 560 CA MET A 822 -13.557 -7.963 3.015 1.00 0.00 C ATOM 561 C MET A 822 -12.945 -7.026 4.051 1.00 0.00 C ATOM 562 O MET A 822 -11.904 -6.412 3.808 1.00 0.00 O ATOM 563 CB MET A 822 -14.759 -7.283 2.361 1.00 0.00 C ATOM 564 CG MET A 822 -15.410 -8.106 1.264 1.00 0.00 C ATOM 565 SD MET A 822 -16.904 -7.337 0.613 1.00 0.00 S ATOM 566 CE MET A 822 -16.241 -5.793 -0.004 1.00 0.00 C ATOM 0 H MET A 822 -14.960 -9.416 3.575 1.00 0.00 H new ATOM 0 HA MET A 822 -12.804 -8.181 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.502 -7.065 3.128 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.441 -6.327 1.944 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.697 -8.251 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.655 -9.094 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.946 -5.350 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.079 -5.108 0.828 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.294 -5.980 -0.509 1.00 0.00 H new ATOM 576 N VAL A 823 -13.592 -6.928 5.209 1.00 0.00 N ATOM 577 CA VAL A 823 -13.125 -6.050 6.276 1.00 0.00 C ATOM 578 C VAL A 823 -11.733 -6.455 6.748 1.00 0.00 C ATOM 579 O VAL A 823 -10.872 -5.601 6.971 1.00 0.00 O ATOM 580 CB VAL A 823 -14.101 -6.040 7.475 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.536 -5.233 8.637 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.453 -5.482 7.055 1.00 0.00 C ATOM 0 H VAL A 823 -14.442 -7.446 5.432 1.00 0.00 H new ATOM 0 HA VAL A 823 -13.080 -5.043 5.862 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.233 -7.069 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -14.244 -5.244 9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.592 -5.672 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.367 -4.205 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -16.128 -5.482 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.329 -4.462 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.872 -6.102 6.262 1.00 0.00 H new ATOM 592 N ARG A 824 -11.506 -7.758 6.877 1.00 0.00 N ATOM 593 CA ARG A 824 -10.220 -8.266 7.340 1.00 0.00 C ATOM 594 C ARG A 824 -9.096 -7.826 6.408 1.00 0.00 C ATOM 595 O ARG A 824 -8.057 -7.350 6.863 1.00 0.00 O ATOM 596 CB ARG A 824 -10.236 -9.791 7.431 1.00 0.00 C ATOM 597 CG ARG A 824 -8.927 -10.379 7.938 1.00 0.00 C ATOM 598 CD ARG A 824 -8.896 -11.887 7.779 1.00 0.00 C ATOM 599 NE ARG A 824 -8.997 -12.280 6.377 1.00 0.00 N ATOM 600 CZ ARG A 824 -9.908 -13.122 5.904 1.00 0.00 C ATOM 601 NH1 ARG A 824 -10.775 -13.699 6.722 1.00 0.00 N ATOM 602 NH2 ARG A 824 -9.943 -13.389 4.609 1.00 0.00 N ATOM 0 H ARG A 824 -12.195 -8.480 6.668 1.00 0.00 H new ATOM 0 HA ARG A 824 -10.042 -7.853 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.045 -10.100 8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.454 -10.204 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.093 -9.937 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.793 -10.120 8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.971 -12.279 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.717 -12.330 8.342 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.326 -11.883 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.745 -13.497 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -11.473 -14.345 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.272 -12.949 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -10.641 -14.035 4.240 1.00 0.00 H new ATOM 616 N GLN A 825 -9.317 -7.969 5.106 1.00 0.00 N ATOM 617 CA GLN A 825 -8.297 -7.630 4.118 1.00 0.00 C ATOM 618 C GLN A 825 -7.961 -6.143 4.175 1.00 0.00 C ATOM 619 O GLN A 825 -6.799 -5.757 4.055 1.00 0.00 O ATOM 620 CB GLN A 825 -8.753 -8.021 2.709 1.00 0.00 C ATOM 621 CG GLN A 825 -9.131 -9.490 2.572 1.00 0.00 C ATOM 622 CD GLN A 825 -8.059 -10.428 3.097 1.00 0.00 C ATOM 623 OE1 GLN A 825 -8.064 -10.798 4.269 1.00 0.00 O ATOM 624 NE2 GLN A 825 -7.137 -10.821 2.236 1.00 0.00 N ATOM 0 H GLN A 825 -10.190 -8.316 4.710 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.396 -8.195 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.610 -7.407 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -7.955 -7.793 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -10.061 -9.672 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.321 -9.715 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.167 -10.492 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -6.395 -11.454 2.536 1.00 0.00 H new ATOM 633 N ALA A 826 -8.983 -5.315 4.373 1.00 0.00 N ATOM 634 CA ALA A 826 -8.786 -3.879 4.537 1.00 0.00 C ATOM 635 C ALA A 826 -7.934 -3.582 5.767 1.00 0.00 C ATOM 636 O ALA A 826 -7.086 -2.687 5.749 1.00 0.00 O ATOM 637 CB ALA A 826 -10.126 -3.171 4.646 1.00 0.00 C ATOM 0 H ALA A 826 -9.957 -5.615 4.424 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.260 -3.507 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.963 -2.100 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.706 -3.349 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.672 -3.555 5.508 1.00 0.00 H new ATOM 643 N ARG A 827 -8.158 -4.339 6.836 1.00 0.00 N ATOM 644 CA ARG A 827 -7.385 -4.174 8.062 1.00 0.00 C ATOM 645 C ARG A 827 -5.944 -4.615 7.839 1.00 0.00 C ATOM 646 O ARG A 827 -5.008 -3.990 8.342 1.00 0.00 O ATOM 647 CB ARG A 827 -8.012 -4.967 9.211 1.00 0.00 C ATOM 648 CG ARG A 827 -9.458 -4.594 9.482 1.00 0.00 C ATOM 649 CD ARG A 827 -10.012 -5.310 10.702 1.00 0.00 C ATOM 650 NE ARG A 827 -9.490 -4.758 11.951 1.00 0.00 N ATOM 651 CZ ARG A 827 -10.225 -4.589 13.049 1.00 0.00 C ATOM 652 NH1 ARG A 827 -11.482 -5.019 13.082 1.00 0.00 N ATOM 653 NH2 ARG A 827 -9.700 -4.009 14.122 1.00 0.00 N ATOM 0 H ARG A 827 -8.867 -5.071 6.879 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.392 -3.118 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.956 -6.031 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -7.427 -4.805 10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -9.533 -3.517 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -10.065 -4.840 8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -11.100 -5.237 10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -9.763 -6.370 10.643 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.507 -4.487 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -11.885 -5.479 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -12.044 -4.889 13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -8.731 -3.691 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.266 -3.881 14.961 1.00 0.00 H new ATOM 667 N ILE A 828 -5.772 -5.689 7.072 1.00 0.00 N ATOM 668 CA ILE A 828 -4.444 -6.157 6.703 1.00 0.00 C ATOM 669 C ILE A 828 -3.728 -5.094 5.876 1.00 0.00 C ATOM 670 O ILE A 828 -2.544 -4.832 6.080 1.00 0.00 O ATOM 671 CB ILE A 828 -4.499 -7.481 5.907 1.00 0.00 C ATOM 672 CG1 ILE A 828 -5.174 -8.576 6.740 1.00 0.00 C ATOM 673 CG2 ILE A 828 -3.096 -7.917 5.497 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.334 -9.889 6.004 1.00 0.00 C ATOM 0 H ILE A 828 -6.537 -6.249 6.696 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.895 -6.343 7.626 1.00 0.00 H new ATOM 0 HB ILE A 828 -5.088 -7.317 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.589 -8.745 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -6.156 -8.225 7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -3.154 -8.851 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.644 -7.147 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.486 -8.065 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.819 -10.615 6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.945 -9.735 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.353 -10.263 5.710 1.00 0.00 H new ATOM 686 N LEU A 829 -4.461 -4.474 4.954 1.00 0.00 N ATOM 687 CA LEU A 829 -3.923 -3.372 4.164 1.00 0.00 C ATOM 688 C LEU A 829 -3.449 -2.247 5.068 1.00 0.00 C ATOM 689 O LEU A 829 -2.356 -1.721 4.884 1.00 0.00 O ATOM 690 CB LEU A 829 -4.967 -2.834 3.184 1.00 0.00 C ATOM 691 CG LEU A 829 -5.218 -3.702 1.954 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.309 -3.092 1.094 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.936 -3.863 1.153 1.00 0.00 C ATOM 0 H LEU A 829 -5.428 -4.716 4.737 1.00 0.00 H new ATOM 0 HA LEU A 829 -3.076 -3.758 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.909 -2.707 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.653 -1.845 2.852 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.547 -4.688 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.478 -3.721 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.230 -3.019 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -6.004 -2.097 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -4.129 -4.484 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.582 -2.883 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.176 -4.337 1.774 1.00 0.00 H new ATOM 705 N ALA A 830 -4.270 -1.892 6.048 1.00 0.00 N ATOM 706 CA ALA A 830 -3.925 -0.844 6.999 1.00 0.00 C ATOM 707 C ALA A 830 -2.639 -1.187 7.748 1.00 0.00 C ATOM 708 O ALA A 830 -1.752 -0.347 7.896 1.00 0.00 O ATOM 709 CB ALA A 830 -5.069 -0.621 7.978 1.00 0.00 C ATOM 0 H ALA A 830 -5.184 -2.317 6.205 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.756 0.078 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.797 0.165 8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.964 -0.324 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.267 -1.544 8.523 1.00 0.00 H new ATOM 715 N GLN A 831 -2.539 -2.431 8.200 1.00 0.00 N ATOM 716 CA GLN A 831 -1.363 -2.898 8.927 1.00 0.00 C ATOM 717 C GLN A 831 -0.131 -2.926 8.021 1.00 0.00 C ATOM 718 O GLN A 831 0.931 -2.410 8.382 1.00 0.00 O ATOM 719 CB GLN A 831 -1.625 -4.291 9.504 1.00 0.00 C ATOM 720 CG GLN A 831 -0.432 -4.888 10.228 1.00 0.00 C ATOM 721 CD GLN A 831 -0.718 -6.275 10.758 1.00 0.00 C ATOM 722 OE1 GLN A 831 -0.507 -7.272 10.069 1.00 0.00 O ATOM 723 NE2 GLN A 831 -1.200 -6.350 11.987 1.00 0.00 N ATOM 0 H GLN A 831 -3.262 -3.139 8.075 1.00 0.00 H new ATOM 0 HA GLN A 831 -1.167 -2.202 9.743 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.467 -4.236 10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.919 -4.960 8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.419 -4.929 9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 831 -0.148 -4.237 11.055 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.360 -5.498 12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.411 -7.260 12.397 1.00 0.00 H new ATOM 732 N ALA A 832 -0.287 -3.523 6.844 1.00 0.00 N ATOM 733 CA ALA A 832 0.809 -3.658 5.888 1.00 0.00 C ATOM 734 C ALA A 832 1.288 -2.299 5.402 1.00 0.00 C ATOM 735 O ALA A 832 2.491 -2.052 5.298 1.00 0.00 O ATOM 736 CB ALA A 832 0.373 -4.508 4.709 1.00 0.00 C ATOM 0 H ALA A 832 -1.169 -3.925 6.526 1.00 0.00 H new ATOM 0 HA ALA A 832 1.640 -4.148 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.198 -4.602 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.083 -5.498 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.476 -4.036 4.214 1.00 0.00 H new ATOM 742 N THR A 833 0.340 -1.420 5.102 1.00 0.00 N ATOM 743 CA THR A 833 0.668 -0.086 4.640 1.00 0.00 C ATOM 744 C THR A 833 1.343 0.713 5.748 1.00 0.00 C ATOM 745 O THR A 833 2.247 1.497 5.490 1.00 0.00 O ATOM 746 CB THR A 833 -0.584 0.667 4.141 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.223 -0.079 3.098 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.219 2.047 3.622 1.00 0.00 C ATOM 0 H THR A 833 -0.660 -1.611 5.172 1.00 0.00 H new ATOM 0 HA THR A 833 1.357 -0.192 3.802 1.00 0.00 H new ATOM 0 HB THR A 833 -1.267 0.780 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.684 -0.853 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.119 2.556 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 833 0.241 2.627 4.422 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.483 1.950 2.794 1.00 0.00 H new ATOM 756 N SER A 834 0.925 0.476 6.986 1.00 0.00 N ATOM 757 CA SER A 834 1.495 1.179 8.129 1.00 0.00 C ATOM 758 C SER A 834 2.990 0.890 8.230 1.00 0.00 C ATOM 759 O SER A 834 3.788 1.786 8.511 1.00 0.00 O ATOM 760 CB SER A 834 0.776 0.771 9.420 1.00 0.00 C ATOM 761 OG SER A 834 1.205 1.547 10.531 1.00 0.00 O ATOM 0 H SER A 834 0.195 -0.196 7.224 1.00 0.00 H new ATOM 0 HA SER A 834 1.358 2.251 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 834 -0.300 0.887 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 834 0.960 -0.284 9.621 1.00 0.00 H new ATOM 0 HG SER A 834 0.724 1.260 11.335 1.00 0.00 H new ATOM 767 N ASP A 835 3.363 -0.360 7.974 1.00 0.00 N ATOM 768 CA ASP A 835 4.769 -0.753 7.957 1.00 0.00 C ATOM 769 C ASP A 835 5.526 0.039 6.898 1.00 0.00 C ATOM 770 O ASP A 835 6.631 0.528 7.142 1.00 0.00 O ATOM 771 CB ASP A 835 4.904 -2.258 7.693 1.00 0.00 C ATOM 772 CG ASP A 835 6.342 -2.696 7.485 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.134 -2.654 8.453 1.00 0.00 O ATOM 774 OD2 ASP A 835 6.684 -3.103 6.355 1.00 0.00 O ATOM 0 H ASP A 835 2.711 -1.119 7.775 1.00 0.00 H new ATOM 0 HA ASP A 835 5.201 -0.534 8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.480 -2.808 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 835 4.319 -2.521 6.812 1.00 0.00 H new ATOM 779 N LEU A 836 4.909 0.188 5.734 1.00 0.00 N ATOM 780 CA LEU A 836 5.517 0.925 4.636 1.00 0.00 C ATOM 781 C LEU A 836 5.556 2.419 4.916 1.00 0.00 C ATOM 782 O LEU A 836 6.597 3.042 4.759 1.00 0.00 O ATOM 783 CB LEU A 836 4.782 0.660 3.324 1.00 0.00 C ATOM 784 CG LEU A 836 5.527 -0.251 2.353 1.00 0.00 C ATOM 785 CD1 LEU A 836 4.751 -0.397 1.057 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.921 0.290 2.080 1.00 0.00 C ATOM 0 H LEU A 836 3.986 -0.193 5.526 1.00 0.00 H new ATOM 0 HA LEU A 836 6.543 0.569 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.813 0.215 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 836 4.588 1.613 2.832 1.00 0.00 H new ATOM 0 HG LEU A 836 5.622 -1.236 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 836 5.298 -1.050 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.772 -0.828 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 836 4.625 0.583 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 836 7.439 -0.372 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 836 6.846 1.286 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.480 0.344 3.014 1.00 0.00 H new ATOM 798 N VAL A 837 4.431 2.990 5.331 1.00 0.00 N ATOM 799 CA VAL A 837 4.342 4.427 5.585 1.00 0.00 C ATOM 800 C VAL A 837 5.431 4.887 6.550 1.00 0.00 C ATOM 801 O VAL A 837 6.119 5.878 6.296 1.00 0.00 O ATOM 802 CB VAL A 837 2.953 4.822 6.138 1.00 0.00 C ATOM 803 CG1 VAL A 837 2.916 6.294 6.513 1.00 0.00 C ATOM 804 CG2 VAL A 837 1.871 4.519 5.118 1.00 0.00 C ATOM 0 H VAL A 837 3.564 2.480 5.500 1.00 0.00 H new ATOM 0 HA VAL A 837 4.487 4.927 4.627 1.00 0.00 H new ATOM 0 HB VAL A 837 2.768 4.233 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 837 1.928 6.546 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 837 3.667 6.494 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 837 3.126 6.899 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 837 0.900 4.803 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.063 5.083 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 837 1.872 3.453 4.892 1.00 0.00 H new ATOM 814 N ASN A 838 5.604 4.150 7.639 1.00 0.00 N ATOM 815 CA ASN A 838 6.645 4.465 8.613 1.00 0.00 C ATOM 816 C ASN A 838 8.031 4.312 7.997 1.00 0.00 C ATOM 817 O ASN A 838 8.926 5.121 8.249 1.00 0.00 O ATOM 818 CB ASN A 838 6.523 3.576 9.853 1.00 0.00 C ATOM 819 CG ASN A 838 5.392 4.010 10.769 1.00 0.00 C ATOM 820 OD1 ASN A 838 5.588 4.822 11.673 1.00 0.00 O ATOM 821 ND2 ASN A 838 4.206 3.468 10.553 1.00 0.00 N ATOM 0 H ASN A 838 5.040 3.332 7.871 1.00 0.00 H new ATOM 0 HA ASN A 838 6.510 5.504 8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 838 6.359 2.544 9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 838 7.462 3.597 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 838 3.415 3.719 11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 838 4.082 2.798 9.794 1.00 0.00 H new ATOM 828 N ALA A 839 8.197 3.286 7.171 1.00 0.00 N ATOM 829 CA ALA A 839 9.477 3.013 6.534 1.00 0.00 C ATOM 830 C ALA A 839 9.812 4.067 5.482 1.00 0.00 C ATOM 831 O ALA A 839 10.939 4.543 5.418 1.00 0.00 O ATOM 832 CB ALA A 839 9.469 1.623 5.917 1.00 0.00 C ATOM 0 H ALA A 839 7.457 2.628 6.927 1.00 0.00 H new ATOM 0 HA ALA A 839 10.252 3.055 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.431 1.430 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.292 0.881 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.678 1.561 5.170 1.00 0.00 H new ATOM 838 N ILE A 840 8.825 4.430 4.667 1.00 0.00 N ATOM 839 CA ILE A 840 9.018 5.436 3.622 1.00 0.00 C ATOM 840 C ILE A 840 9.466 6.764 4.225 1.00 0.00 C ATOM 841 O ILE A 840 10.432 7.368 3.765 1.00 0.00 O ATOM 842 CB ILE A 840 7.731 5.662 2.794 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.270 4.356 2.140 1.00 0.00 C ATOM 844 CG2 ILE A 840 7.967 6.726 1.731 1.00 0.00 C ATOM 845 CD1 ILE A 840 5.964 4.480 1.382 1.00 0.00 C ATOM 0 H ILE A 840 7.882 4.043 4.709 1.00 0.00 H new ATOM 0 HA ILE A 840 9.794 5.055 2.958 1.00 0.00 H new ATOM 0 HB ILE A 840 6.947 6.005 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.045 4.010 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.161 3.593 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.053 6.875 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.250 7.663 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.767 6.403 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 840 5.703 3.515 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.175 4.796 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.073 5.218 0.588 1.00 0.00 H new ATOM 857 N LYS A 841 8.769 7.204 5.268 1.00 0.00 N ATOM 858 CA LYS A 841 9.111 8.453 5.940 1.00 0.00 C ATOM 859 C LYS A 841 10.522 8.387 6.519 1.00 0.00 C ATOM 860 O LYS A 841 11.285 9.350 6.442 1.00 0.00 O ATOM 861 CB LYS A 841 8.108 8.750 7.056 1.00 0.00 C ATOM 862 CG LYS A 841 6.705 9.046 6.556 1.00 0.00 C ATOM 863 CD LYS A 841 5.736 9.233 7.712 1.00 0.00 C ATOM 864 CE LYS A 841 4.319 9.479 7.223 1.00 0.00 C ATOM 865 NZ LYS A 841 3.360 9.605 8.352 1.00 0.00 N ATOM 0 H LYS A 841 7.966 6.716 5.665 1.00 0.00 H new ATOM 0 HA LYS A 841 9.072 9.255 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 841 8.070 7.897 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 841 8.465 9.602 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 841 6.718 9.945 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 841 6.363 8.229 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 841 5.753 8.348 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 841 6.060 10.073 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 841 4.294 10.388 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.011 8.659 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.404 9.772 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.365 8.728 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.639 10.403 8.957 1.00 0.00 H new ATOM 879 N ALA A 842 10.862 7.237 7.085 1.00 0.00 N ATOM 880 CA ALA A 842 12.162 7.040 7.706 1.00 0.00 C ATOM 881 C ALA A 842 13.271 6.982 6.657 1.00 0.00 C ATOM 882 O ALA A 842 14.366 7.510 6.862 1.00 0.00 O ATOM 883 CB ALA A 842 12.148 5.769 8.538 1.00 0.00 C ATOM 0 H ALA A 842 10.250 6.422 7.126 1.00 0.00 H new ATOM 0 HA ALA A 842 12.366 7.890 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 842 13.124 5.626 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 842 11.387 5.851 9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 842 11.923 4.917 7.897 1.00 0.00 H new ATOM 889 N ASP A 843 12.977 6.349 5.531 1.00 0.00 N ATOM 890 CA ASP A 843 13.939 6.220 4.448 1.00 0.00 C ATOM 891 C ASP A 843 14.126 7.565 3.754 1.00 0.00 C ATOM 892 O ASP A 843 15.212 7.887 3.276 1.00 0.00 O ATOM 893 CB ASP A 843 13.467 5.151 3.461 1.00 0.00 C ATOM 894 CG ASP A 843 14.412 4.955 2.293 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.541 4.460 2.502 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.016 5.262 1.155 1.00 0.00 O ATOM 0 H ASP A 843 12.074 5.914 5.344 1.00 0.00 H new ATOM 0 HA ASP A 843 14.903 5.911 4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 843 13.352 4.204 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.483 5.426 3.081 1.00 0.00 H new ATOM 901 N ALA A 844 13.061 8.360 3.737 1.00 0.00 N ATOM 902 CA ALA A 844 13.111 9.705 3.180 1.00 0.00 C ATOM 903 C ALA A 844 14.046 10.594 3.990 1.00 0.00 C ATOM 904 O ALA A 844 14.732 11.456 3.437 1.00 0.00 O ATOM 905 CB ALA A 844 11.720 10.312 3.130 1.00 0.00 C ATOM 0 H ALA A 844 12.148 8.093 4.105 1.00 0.00 H new ATOM 0 HA ALA A 844 13.499 9.636 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 844 11.776 11.317 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.076 9.694 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.308 10.362 4.138 1.00 0.00 H new ATOM 911 N GLU A 845 14.072 10.385 5.301 1.00 0.00 N ATOM 912 CA GLU A 845 14.973 11.130 6.174 1.00 0.00 C ATOM 913 C GLU A 845 16.421 10.746 5.885 1.00 0.00 C ATOM 914 O GLU A 845 17.315 11.594 5.895 1.00 0.00 O ATOM 915 CB GLU A 845 14.650 10.863 7.645 1.00 0.00 C ATOM 916 CG GLU A 845 13.270 11.337 8.072 1.00 0.00 C ATOM 917 CD GLU A 845 13.083 12.831 7.901 1.00 0.00 C ATOM 918 OE1 GLU A 845 13.666 13.602 8.692 1.00 0.00 O ATOM 919 OE2 GLU A 845 12.350 13.242 6.976 1.00 0.00 O ATOM 0 H GLU A 845 13.481 9.707 5.783 1.00 0.00 H new ATOM 0 HA GLU A 845 14.836 12.193 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 845 14.730 9.793 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 845 15.400 11.354 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 845 12.514 10.812 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 845 13.107 11.072 9.117 1.00 0.00 H new ATOM 926 N GLY A 846 16.635 9.464 5.613 1.00 0.00 N ATOM 927 CA GLY A 846 17.967 8.972 5.321 1.00 0.00 C ATOM 928 C GLY A 846 18.468 9.427 3.966 1.00 0.00 C ATOM 929 O GLY A 846 19.665 9.651 3.787 1.00 0.00 O ATOM 0 H GLY A 846 15.904 8.753 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 846 18.655 9.315 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 846 17.965 7.883 5.357 1.00 0.00 H new ATOM 933 N GLU A 847 17.549 9.555 3.013 1.00 0.00 N ATOM 934 CA GLU A 847 17.878 10.039 1.676 1.00 0.00 C ATOM 935 C GLU A 847 18.571 11.396 1.747 1.00 0.00 C ATOM 936 O GLU A 847 17.991 12.378 2.211 1.00 0.00 O ATOM 937 CB GLU A 847 16.603 10.138 0.827 1.00 0.00 C ATOM 938 CG GLU A 847 16.817 10.741 -0.555 1.00 0.00 C ATOM 939 CD GLU A 847 17.805 9.961 -1.396 1.00 0.00 C ATOM 940 OE1 GLU A 847 19.019 10.234 -1.307 1.00 0.00 O ATOM 941 OE2 GLU A 847 17.377 9.066 -2.149 1.00 0.00 O ATOM 0 H GLU A 847 16.563 9.328 3.144 1.00 0.00 H new ATOM 0 HA GLU A 847 18.563 9.331 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 847 16.177 9.141 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 847 15.869 10.739 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 847 15.861 10.787 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.171 11.766 -0.447 1.00 0.00 H new ATOM 948 N SER A 848 19.817 11.444 1.296 1.00 0.00 N ATOM 949 CA SER A 848 20.589 12.674 1.312 1.00 0.00 C ATOM 950 C SER A 848 20.089 13.640 0.241 1.00 0.00 C ATOM 951 O SER A 848 20.264 14.854 0.355 1.00 0.00 O ATOM 952 CB SER A 848 22.071 12.364 1.102 1.00 0.00 C ATOM 953 OG SER A 848 22.546 11.474 2.101 1.00 0.00 O ATOM 0 H SER A 848 20.315 10.640 0.913 1.00 0.00 H new ATOM 0 HA SER A 848 20.463 13.151 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 848 22.219 11.924 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.648 13.288 1.128 1.00 0.00 H new ATOM 0 HG SER A 848 23.496 11.287 1.948 1.00 0.00 H new ATOM 959 N ASP A 849 19.450 13.096 -0.790 1.00 0.00 N ATOM 960 CA ASP A 849 18.904 13.915 -1.863 1.00 0.00 C ATOM 961 C ASP A 849 17.632 14.610 -1.393 1.00 0.00 C ATOM 962 O ASP A 849 16.684 13.962 -0.958 1.00 0.00 O ATOM 963 CB ASP A 849 18.611 13.067 -3.100 1.00 0.00 C ATOM 964 CG ASP A 849 18.228 13.917 -4.291 1.00 0.00 C ATOM 965 OD1 ASP A 849 17.103 14.459 -4.301 1.00 0.00 O ATOM 966 OD2 ASP A 849 19.036 14.027 -5.230 1.00 0.00 O ATOM 0 H ASP A 849 19.299 12.094 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 849 19.645 14.668 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 849 19.489 12.471 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.804 12.369 -2.878 1.00 0.00 H new ATOM 971 N LEU A 850 17.622 15.928 -1.493 1.00 0.00 N ATOM 972 CA LEU A 850 16.534 16.733 -0.961 1.00 0.00 C ATOM 973 C LEU A 850 15.241 16.514 -1.748 1.00 0.00 C ATOM 974 O LEU A 850 14.188 16.242 -1.163 1.00 0.00 O ATOM 975 CB LEU A 850 16.938 18.212 -0.985 1.00 0.00 C ATOM 976 CG LEU A 850 16.212 19.123 0.011 1.00 0.00 C ATOM 977 CD1 LEU A 850 14.800 19.434 -0.456 1.00 0.00 C ATOM 978 CD2 LEU A 850 16.189 18.480 1.391 1.00 0.00 C ATOM 0 H LEU A 850 18.362 16.468 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 850 16.343 16.426 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 850 18.009 18.279 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 850 16.769 18.598 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 850 16.758 20.065 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.311 20.082 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.839 19.937 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.236 18.506 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 850 15.671 19.137 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 850 15.669 17.523 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.211 18.319 1.734 1.00 0.00 H new ATOM 990 N GLU A 851 15.317 16.624 -3.071 1.00 0.00 N ATOM 991 CA GLU A 851 14.127 16.509 -3.907 1.00 0.00 C ATOM 992 C GLU A 851 13.550 15.101 -3.824 1.00 0.00 C ATOM 993 O GLU A 851 12.332 14.917 -3.805 1.00 0.00 O ATOM 994 CB GLU A 851 14.428 16.870 -5.371 1.00 0.00 C ATOM 995 CG GLU A 851 15.234 15.826 -6.128 1.00 0.00 C ATOM 996 CD GLU A 851 15.316 16.110 -7.610 1.00 0.00 C ATOM 997 OE1 GLU A 851 16.202 16.884 -8.030 1.00 0.00 O ATOM 998 OE2 GLU A 851 14.496 15.559 -8.373 1.00 0.00 O ATOM 0 H GLU A 851 16.183 16.791 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 851 13.391 17.219 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 851 13.485 17.030 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 851 14.970 17.815 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 851 16.242 15.782 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.784 14.845 -5.975 1.00 0.00 H new ATOM 1005 N ASN A 852 14.431 14.114 -3.758 1.00 0.00 N ATOM 1006 CA ASN A 852 14.007 12.726 -3.678 1.00 0.00 C ATOM 1007 C ASN A 852 13.411 12.443 -2.305 1.00 0.00 C ATOM 1008 O ASN A 852 12.500 11.628 -2.170 1.00 0.00 O ATOM 1009 CB ASN A 852 15.183 11.788 -3.945 1.00 0.00 C ATOM 1010 CG ASN A 852 14.730 10.413 -4.408 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.740 10.285 -5.131 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.432 9.376 -3.987 1.00 0.00 N ATOM 0 H ASN A 852 15.442 14.249 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 852 13.247 12.550 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.832 12.229 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.777 11.686 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 852 15.160 8.431 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 852 16.246 9.520 -3.389 1.00 0.00 H new ATOM 1019 N SER A 853 13.914 13.144 -1.296 1.00 0.00 N ATOM 1020 CA SER A 853 13.405 13.009 0.061 1.00 0.00 C ATOM 1021 C SER A 853 11.945 13.450 0.122 1.00 0.00 C ATOM 1022 O SER A 853 11.083 12.730 0.636 1.00 0.00 O ATOM 1023 CB SER A 853 14.253 13.842 1.028 1.00 0.00 C ATOM 1024 OG SER A 853 13.800 13.710 2.365 1.00 0.00 O ATOM 0 H SER A 853 14.677 13.814 -1.394 1.00 0.00 H new ATOM 0 HA SER A 853 13.465 11.962 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 853 15.295 13.527 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 853 14.218 14.891 0.733 1.00 0.00 H new ATOM 0 HG SER A 853 14.377 13.080 2.845 1.00 0.00 H new ATOM 1030 N ARG A 854 11.668 14.630 -0.429 1.00 0.00 N ATOM 1031 CA ARG A 854 10.308 15.153 -0.476 1.00 0.00 C ATOM 1032 C ARG A 854 9.420 14.247 -1.318 1.00 0.00 C ATOM 1033 O ARG A 854 8.250 14.038 -1.000 1.00 0.00 O ATOM 1034 CB ARG A 854 10.288 16.572 -1.049 1.00 0.00 C ATOM 1035 CG ARG A 854 10.995 17.595 -0.176 1.00 0.00 C ATOM 1036 CD ARG A 854 10.889 18.991 -0.765 1.00 0.00 C ATOM 1037 NE ARG A 854 11.551 19.988 0.073 1.00 0.00 N ATOM 1038 CZ ARG A 854 11.661 21.276 -0.243 1.00 0.00 C ATOM 1039 NH1 ARG A 854 11.143 21.732 -1.376 1.00 0.00 N ATOM 1040 NH2 ARG A 854 12.294 22.102 0.581 1.00 0.00 N ATOM 0 H ARG A 854 12.369 15.241 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 854 9.925 15.183 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.756 16.563 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 854 9.253 16.882 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.560 17.586 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 854 12.045 17.322 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 854 11.334 19.000 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 854 9.838 19.256 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 854 11.955 19.677 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 854 10.659 21.095 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 854 11.229 22.720 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 854 12.693 21.748 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 854 12.382 23.090 0.344 1.00 0.00 H new ATOM 1054 N LYS A 855 9.997 13.704 -2.383 1.00 0.00 N ATOM 1055 CA LYS A 855 9.293 12.779 -3.264 1.00 0.00 C ATOM 1056 C LYS A 855 8.772 11.578 -2.478 1.00 0.00 C ATOM 1057 O LYS A 855 7.600 11.209 -2.589 1.00 0.00 O ATOM 1058 CB LYS A 855 10.235 12.300 -4.368 1.00 0.00 C ATOM 1059 CG LYS A 855 9.579 11.373 -5.376 1.00 0.00 C ATOM 1060 CD LYS A 855 10.615 10.663 -6.229 1.00 0.00 C ATOM 1061 CE LYS A 855 11.514 11.645 -6.963 1.00 0.00 C ATOM 1062 NZ LYS A 855 12.588 10.946 -7.713 1.00 0.00 N ATOM 0 H LYS A 855 10.961 13.891 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 855 8.445 13.300 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 855 10.635 13.168 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 855 11.081 11.785 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.969 10.637 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.908 11.945 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 855 11.224 10.016 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 855 10.112 10.021 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 855 10.916 12.241 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 855 11.959 12.336 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 13.076 11.623 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 13.270 10.537 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 12.172 10.187 -8.289 1.00 0.00 H new ATOM 1076 N LEU A 856 9.655 10.987 -1.680 1.00 0.00 N ATOM 1077 CA LEU A 856 9.309 9.836 -0.854 1.00 0.00 C ATOM 1078 C LEU A 856 8.203 10.189 0.136 1.00 0.00 C ATOM 1079 O LEU A 856 7.212 9.469 0.257 1.00 0.00 O ATOM 1080 CB LEU A 856 10.548 9.340 -0.104 1.00 0.00 C ATOM 1081 CG LEU A 856 11.685 8.836 -0.994 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.927 8.548 -0.165 1.00 0.00 C ATOM 1083 CD2 LEU A 856 11.253 7.591 -1.748 1.00 0.00 C ATOM 0 H LEU A 856 10.625 11.290 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 856 8.943 9.043 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.926 10.151 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 856 10.249 8.536 0.568 1.00 0.00 H new ATOM 0 HG LEU A 856 11.927 9.615 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.724 8.191 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 856 13.250 9.461 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.698 7.786 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 856 12.073 7.244 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.985 6.809 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 856 10.390 7.825 -2.372 1.00 0.00 H new ATOM 1095 N LEU A 857 8.371 11.314 0.824 1.00 0.00 N ATOM 1096 CA LEU A 857 7.378 11.780 1.789 1.00 0.00 C ATOM 1097 C LEU A 857 6.022 11.997 1.121 1.00 0.00 C ATOM 1098 O LEU A 857 4.979 11.684 1.698 1.00 0.00 O ATOM 1099 CB LEU A 857 7.846 13.075 2.455 1.00 0.00 C ATOM 1100 CG LEU A 857 9.069 12.932 3.361 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.517 14.294 3.870 1.00 0.00 C ATOM 1102 CD2 LEU A 857 8.762 12.002 4.527 1.00 0.00 C ATOM 0 H LEU A 857 9.186 11.921 0.732 1.00 0.00 H new ATOM 0 HA LEU A 857 7.266 11.009 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 857 8.072 13.804 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 857 7.023 13.481 3.043 1.00 0.00 H new ATOM 0 HG LEU A 857 9.881 12.498 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.389 14.173 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.776 14.931 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.708 14.754 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.643 11.911 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 857 7.936 12.409 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.487 11.019 4.145 1.00 0.00 H new ATOM 1114 N SER A 858 6.049 12.514 -0.102 1.00 0.00 N ATOM 1115 CA SER A 858 4.826 12.759 -0.857 1.00 0.00 C ATOM 1116 C SER A 858 4.137 11.442 -1.204 1.00 0.00 C ATOM 1117 O SER A 858 2.911 11.340 -1.155 1.00 0.00 O ATOM 1118 CB SER A 858 5.145 13.544 -2.132 1.00 0.00 C ATOM 1119 OG SER A 858 5.826 14.750 -1.825 1.00 0.00 O ATOM 0 H SER A 858 6.905 12.772 -0.592 1.00 0.00 H new ATOM 0 HA SER A 858 4.148 13.349 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.758 12.934 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 858 4.222 13.768 -2.667 1.00 0.00 H new ATOM 0 HG SER A 858 6.791 14.582 -1.792 1.00 0.00 H new ATOM 1125 N ALA A 859 4.933 10.431 -1.540 1.00 0.00 N ATOM 1126 CA ALA A 859 4.401 9.114 -1.862 1.00 0.00 C ATOM 1127 C ALA A 859 3.724 8.501 -0.644 1.00 0.00 C ATOM 1128 O ALA A 859 2.621 7.961 -0.743 1.00 0.00 O ATOM 1129 CB ALA A 859 5.509 8.204 -2.372 1.00 0.00 C ATOM 0 H ALA A 859 5.949 10.500 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 859 3.656 9.225 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 859 5.095 7.224 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.951 8.637 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.276 8.099 -1.604 1.00 0.00 H new ATOM 1135 N ALA A 860 4.386 8.607 0.503 1.00 0.00 N ATOM 1136 CA ALA A 860 3.840 8.103 1.758 1.00 0.00 C ATOM 1137 C ALA A 860 2.547 8.823 2.115 1.00 0.00 C ATOM 1138 O ALA A 860 1.605 8.213 2.611 1.00 0.00 O ATOM 1139 CB ALA A 860 4.858 8.257 2.881 1.00 0.00 C ATOM 0 H ALA A 860 5.306 9.039 0.589 1.00 0.00 H new ATOM 0 HA ALA A 860 3.617 7.044 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.435 7.876 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.759 7.695 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 860 5.110 9.311 3.002 1.00 0.00 H new ATOM 1145 N LYS A 861 2.513 10.125 1.847 1.00 0.00 N ATOM 1146 CA LYS A 861 1.333 10.941 2.115 1.00 0.00 C ATOM 1147 C LYS A 861 0.136 10.442 1.310 1.00 0.00 C ATOM 1148 O LYS A 861 -0.930 10.173 1.867 1.00 0.00 O ATOM 1149 CB LYS A 861 1.624 12.408 1.781 1.00 0.00 C ATOM 1150 CG LYS A 861 0.424 13.330 1.940 1.00 0.00 C ATOM 1151 CD LYS A 861 -0.083 13.361 3.374 1.00 0.00 C ATOM 1152 CE LYS A 861 0.943 13.967 4.317 1.00 0.00 C ATOM 1153 NZ LYS A 861 0.453 13.998 5.719 1.00 0.00 N ATOM 0 H LYS A 861 3.294 10.640 1.442 1.00 0.00 H new ATOM 0 HA LYS A 861 1.089 10.860 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.429 12.763 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.984 12.471 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 861 0.698 14.339 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 861 -0.377 13.000 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 861 -1.007 13.937 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 861 -0.322 12.348 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 861 1.867 13.391 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 861 1.181 14.980 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 1.181 14.418 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -0.415 14.569 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 0.250 13.029 6.037 1.00 0.00 H new ATOM 1167 N ILE A 862 0.322 10.311 0.002 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.745 9.852 -0.879 1.00 0.00 C ATOM 1169 C ILE A 862 -1.165 8.430 -0.522 1.00 0.00 C ATOM 1170 O ILE A 862 -2.359 8.129 -0.431 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.316 9.906 -2.364 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.060 11.337 -2.757 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.429 9.379 -3.261 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.574 11.467 -4.174 1.00 0.00 C ATOM 0 H ILE A 862 1.202 10.516 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.592 10.524 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 862 0.559 9.270 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.813 11.978 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.822 11.704 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -1.110 9.425 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.652 8.346 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.323 9.989 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 862 0.819 12.509 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.467 10.854 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 862 -0.193 11.132 -4.872 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.174 7.571 -0.301 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.421 6.176 0.035 1.00 0.00 C ATOM 1188 C LEU A 863 -1.222 6.044 1.323 1.00 0.00 C ATOM 1189 O LEU A 863 -2.301 5.455 1.326 1.00 0.00 O ATOM 1190 CB LEU A 863 0.900 5.411 0.165 1.00 0.00 C ATOM 1191 CG LEU A 863 0.796 4.051 0.861 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.281 3.197 0.211 1.00 0.00 C ATOM 1193 CD2 LEU A 863 2.141 3.341 0.847 1.00 0.00 C ATOM 0 H LEU A 863 0.814 7.821 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 863 -1.007 5.745 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.315 5.261 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.608 6.030 0.715 1.00 0.00 H new ATOM 0 HG LEU A 863 0.512 4.215 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.339 2.235 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.242 3.705 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 863 -0.035 3.038 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 863 2.048 2.376 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.461 3.187 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.879 3.950 1.369 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.701 6.609 2.406 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.310 6.459 3.721 1.00 0.00 C ATOM 1207 C ALA A 864 -2.771 6.888 3.710 1.00 0.00 C ATOM 1208 O ALA A 864 -3.594 6.350 4.454 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.533 7.259 4.752 1.00 0.00 C ATOM 0 H ALA A 864 0.146 7.178 2.398 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.275 5.403 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -0.997 7.139 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.495 6.900 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.539 8.313 4.474 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.094 7.843 2.854 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.453 8.341 2.772 1.00 0.00 C ATOM 1217 C ASP A 865 -5.301 7.485 1.849 1.00 0.00 C ATOM 1218 O ASP A 865 -6.493 7.282 2.098 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.466 9.797 2.309 1.00 0.00 C ATOM 1220 CG ASP A 865 -5.858 10.391 2.311 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.350 10.760 3.399 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -6.462 10.499 1.223 1.00 0.00 O ATOM 0 H ASP A 865 -2.437 8.285 2.211 1.00 0.00 H new ATOM 0 HA ASP A 865 -4.886 8.288 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -3.821 10.388 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -4.049 9.859 1.304 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.688 6.975 0.796 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.374 6.082 -0.120 1.00 0.00 C ATOM 1229 C ALA A 866 -5.822 4.828 0.616 1.00 0.00 C ATOM 1230 O ALA A 866 -6.857 4.245 0.299 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.476 5.729 -1.293 1.00 0.00 C ATOM 0 H ALA A 866 -3.715 7.164 0.554 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.256 6.588 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -5.007 5.059 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.200 6.639 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.576 5.236 -0.926 1.00 0.00 H new ATOM 1237 N THR A 867 -5.042 4.428 1.611 1.00 0.00 N ATOM 1238 CA THR A 867 -5.392 3.292 2.444 1.00 0.00 C ATOM 1239 C THR A 867 -6.586 3.620 3.332 1.00 0.00 C ATOM 1240 O THR A 867 -7.522 2.836 3.434 1.00 0.00 O ATOM 1241 CB THR A 867 -4.205 2.861 3.323 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.002 2.899 2.554 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.417 1.456 3.865 1.00 0.00 C ATOM 0 H THR A 867 -4.160 4.877 1.859 1.00 0.00 H new ATOM 0 HA THR A 867 -5.654 2.469 1.779 1.00 0.00 H new ATOM 0 HB THR A 867 -4.128 3.550 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.788 3.828 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.565 1.172 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.326 1.431 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.511 0.756 3.035 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.551 4.793 3.954 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.625 5.234 4.834 1.00 0.00 C ATOM 1253 C ALA A 868 -8.968 5.249 4.111 1.00 0.00 C ATOM 1254 O ALA A 868 -9.961 4.729 4.625 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.310 6.610 5.398 1.00 0.00 C ATOM 0 H ALA A 868 -5.784 5.459 3.863 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.699 4.522 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.120 6.929 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.380 6.567 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.204 7.323 4.580 1.00 0.00 H new ATOM 1261 N LYS A 869 -8.995 5.827 2.915 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.225 5.896 2.131 1.00 0.00 C ATOM 1263 C LYS A 869 -10.627 4.503 1.647 1.00 0.00 C ATOM 1264 O LYS A 869 -11.813 4.182 1.558 1.00 0.00 O ATOM 1265 CB LYS A 869 -10.056 6.855 0.947 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.066 6.384 -0.105 1.00 0.00 C ATOM 1267 CD LYS A 869 -8.885 7.415 -1.206 1.00 0.00 C ATOM 1268 CE LYS A 869 -10.197 7.729 -1.901 1.00 0.00 C ATOM 1269 NZ LYS A 869 -10.030 8.766 -2.949 1.00 0.00 N ATOM 0 H LYS A 869 -8.183 6.253 2.468 1.00 0.00 H new ATOM 0 HA LYS A 869 -11.021 6.281 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -11.027 7.004 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -9.733 7.825 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -8.104 6.181 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -9.413 5.446 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -8.469 8.330 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -8.165 7.045 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -10.598 6.820 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -10.926 8.069 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -10.948 8.953 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -9.672 9.642 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -9.354 8.431 -3.664 1.00 0.00 H new ATOM 1283 N MET A 870 -9.623 3.685 1.351 1.00 0.00 N ATOM 1284 CA MET A 870 -9.833 2.298 0.951 1.00 0.00 C ATOM 1285 C MET A 870 -10.466 1.503 2.087 1.00 0.00 C ATOM 1286 O MET A 870 -11.454 0.794 1.893 1.00 0.00 O ATOM 1287 CB MET A 870 -8.492 1.675 0.548 1.00 0.00 C ATOM 1288 CG MET A 870 -8.510 0.162 0.443 1.00 0.00 C ATOM 1289 SD MET A 870 -9.668 -0.439 -0.794 1.00 0.00 S ATOM 1290 CE MET A 870 -9.409 -2.198 -0.629 1.00 0.00 C ATOM 0 H MET A 870 -8.642 3.964 1.381 1.00 0.00 H new ATOM 0 HA MET A 870 -10.513 2.272 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 870 -8.187 2.090 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.736 1.967 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.509 -0.192 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.770 -0.262 1.413 1.00 0.00 H new ATOM 0 HE1 MET A 870 -10.104 -2.731 -1.278 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.386 -2.443 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.579 -2.495 0.406 1.00 0.00 H new ATOM 1300 N VAL A 871 -9.894 1.641 3.274 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.386 0.959 4.459 1.00 0.00 C ATOM 1302 C VAL A 871 -11.831 1.351 4.759 1.00 0.00 C ATOM 1303 O VAL A 871 -12.659 0.497 5.071 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.480 1.258 5.675 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -10.103 0.770 6.969 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -8.114 0.620 5.480 1.00 0.00 C ATOM 0 H VAL A 871 -9.077 2.228 3.441 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.361 -0.113 4.263 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.366 2.340 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.438 0.998 7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -11.060 1.268 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -10.260 -0.307 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.484 0.837 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.228 -0.459 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.649 1.024 4.581 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.137 2.637 4.635 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.493 3.124 4.874 1.00 0.00 C ATOM 1318 C GLU A 872 -14.463 2.574 3.836 1.00 0.00 C ATOM 1319 O GLU A 872 -15.607 2.245 4.154 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.528 4.653 4.860 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.770 5.290 6.009 1.00 0.00 C ATOM 1322 CD GLU A 872 -13.251 4.808 7.360 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.348 5.229 7.788 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -12.540 4.005 7.998 1.00 0.00 O ATOM 0 H GLU A 872 -11.468 3.360 4.371 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.803 2.772 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.109 5.009 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.566 4.984 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.708 5.069 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.877 6.373 5.954 1.00 0.00 H new ATOM 1331 N ALA A 873 -14.001 2.472 2.596 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.824 1.944 1.521 1.00 0.00 C ATOM 1333 C ALA A 873 -15.086 0.460 1.728 1.00 0.00 C ATOM 1334 O ALA A 873 -16.219 -0.003 1.596 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.161 2.186 0.177 1.00 0.00 C ATOM 0 H ALA A 873 -13.061 2.748 2.312 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.781 2.466 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -14.791 1.784 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.025 3.257 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.190 1.691 0.156 1.00 0.00 H new ATOM 1341 N ALA A 874 -14.031 -0.276 2.069 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.138 -1.710 2.322 1.00 0.00 C ATOM 1343 C ALA A 874 -15.062 -1.987 3.499 1.00 0.00 C ATOM 1344 O ALA A 874 -15.896 -2.884 3.432 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.762 -2.307 2.570 1.00 0.00 C ATOM 0 H ALA A 874 -13.089 0.099 2.177 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.568 -2.182 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.858 -3.377 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.133 -2.147 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.308 -1.826 3.436 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.915 -1.209 4.568 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.788 -1.331 5.735 1.00 0.00 C ATOM 1353 C LYS A 875 -17.252 -1.206 5.330 1.00 0.00 C ATOM 1354 O LYS A 875 -18.077 -2.055 5.672 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.457 -0.257 6.773 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.210 -0.543 7.592 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.823 0.660 8.439 1.00 0.00 C ATOM 1358 CE LYS A 875 -12.682 0.341 9.391 1.00 0.00 C ATOM 1359 NZ LYS A 875 -13.126 -0.503 10.529 1.00 0.00 N ATOM 0 H LYS A 875 -14.200 -0.487 4.652 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.621 -2.315 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.332 0.698 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.305 -0.148 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.384 -1.405 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.386 -0.804 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -13.532 1.484 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -14.689 0.995 9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -11.889 -0.172 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -12.258 1.270 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -12.344 -0.613 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -13.933 -0.050 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -13.412 -1.439 10.176 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.558 -0.151 4.586 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.923 0.104 4.182 1.00 0.00 C ATOM 1375 C GLY A 876 -19.442 -0.916 3.189 1.00 0.00 C ATOM 1376 O GLY A 876 -20.575 -1.378 3.309 1.00 0.00 O ATOM 0 H GLY A 876 -16.880 0.535 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.564 0.105 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -18.987 1.099 3.741 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.612 -1.278 2.217 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.017 -2.208 1.170 1.00 0.00 C ATOM 1382 C ALA A 877 -19.194 -3.614 1.721 1.00 0.00 C ATOM 1383 O ALA A 877 -20.007 -4.391 1.224 1.00 0.00 O ATOM 1384 CB ALA A 877 -17.993 -2.212 0.047 1.00 0.00 C ATOM 0 H ALA A 877 -17.653 -0.941 2.133 1.00 0.00 H new ATOM 0 HA ALA A 877 -19.978 -1.875 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.307 -2.910 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -17.914 -1.211 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.023 -2.518 0.440 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.429 -3.938 2.747 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.507 -5.249 3.358 1.00 0.00 C ATOM 1392 C ALA A 878 -19.674 -5.328 4.328 1.00 0.00 C ATOM 1393 O ALA A 878 -20.609 -6.100 4.118 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.209 -5.578 4.067 1.00 0.00 C ATOM 0 H ALA A 878 -17.747 -3.311 3.174 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.671 -5.982 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.283 -6.566 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.390 -5.569 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.020 -4.836 4.842 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.626 -4.517 5.378 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.622 -4.575 6.439 1.00 0.00 C ATOM 1402 C ALA A 879 -22.014 -4.243 5.910 1.00 0.00 C ATOM 1403 O ALA A 879 -23.015 -4.736 6.428 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.234 -3.651 7.580 1.00 0.00 C ATOM 0 H ALA A 879 -18.905 -3.809 5.517 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.654 -5.595 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -20.988 -3.706 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.268 -3.956 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.167 -2.627 7.212 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.074 -3.397 4.891 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.309 -3.178 4.153 1.00 0.00 C ATOM 1412 C HIS A 880 -23.198 -3.846 2.784 1.00 0.00 C ATOM 1413 O HIS A 880 -22.948 -3.179 1.778 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.606 -1.679 3.995 1.00 0.00 C ATOM 1415 CG HIS A 880 -23.842 -0.965 5.291 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.059 0.080 5.736 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -24.793 -1.145 6.237 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -23.518 0.508 6.898 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -24.570 -0.219 7.223 1.00 0.00 N ATOM 0 H HIS A 880 -21.280 -2.851 4.557 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.135 -3.618 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.771 -1.206 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.484 -1.558 3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -25.582 -1.882 6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -23.103 1.316 7.483 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -25.127 -0.110 8.070 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.382 -5.177 2.726 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.093 -5.962 1.520 1.00 0.00 C ATOM 1429 C PRO A 881 -24.029 -5.625 0.365 1.00 0.00 C ATOM 1430 O PRO A 881 -23.626 -5.608 -0.799 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.303 -7.410 1.973 1.00 0.00 C ATOM 1432 CG PRO A 881 -24.221 -7.321 3.139 1.00 0.00 C ATOM 1433 CD PRO A 881 -23.907 -6.018 3.817 1.00 0.00 C ATOM 0 HA PRO A 881 -22.091 -5.762 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -23.736 -8.014 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.358 -7.878 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -25.262 -7.353 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -24.071 -8.160 3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -24.795 -5.578 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.173 -6.147 4.613 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.281 -5.346 0.703 1.00 0.00 N ATOM 1442 CA ASP A 882 -26.317 -5.061 -0.285 1.00 0.00 C ATOM 1443 C ASP A 882 -26.186 -3.651 -0.854 1.00 0.00 C ATOM 1444 O ASP A 882 -26.899 -3.285 -1.788 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.700 -5.234 0.348 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.939 -4.265 1.489 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -27.305 -4.426 2.556 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.755 -3.336 1.325 1.00 0.00 O ATOM 0 H ASP A 882 -25.608 -5.311 1.668 1.00 0.00 H new ATOM 0 HA ASP A 882 -26.193 -5.766 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -28.466 -5.090 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -27.804 -6.255 0.715 1.00 0.00 H new ATOM 1453 N SER A 883 -25.281 -2.864 -0.293 1.00 0.00 N ATOM 1454 CA SER A 883 -25.102 -1.488 -0.724 1.00 0.00 C ATOM 1455 C SER A 883 -24.185 -1.427 -1.942 1.00 0.00 C ATOM 1456 O SER A 883 -22.961 -1.492 -1.817 1.00 0.00 O ATOM 1457 CB SER A 883 -24.539 -0.644 0.424 1.00 0.00 C ATOM 1458 OG SER A 883 -24.570 0.741 0.115 1.00 0.00 O ATOM 0 H SER A 883 -24.660 -3.155 0.462 1.00 0.00 H new ATOM 0 HA SER A 883 -26.072 -1.079 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 883 -25.116 -0.829 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 883 -23.513 -0.949 0.632 1.00 0.00 H new ATOM 0 HG SER A 883 -24.517 1.262 0.943 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.790 -1.315 -3.119 1.00 0.00 N ATOM 1465 CA GLU A 884 -24.042 -1.264 -4.373 1.00 0.00 C ATOM 1466 C GLU A 884 -23.253 0.036 -4.491 1.00 0.00 C ATOM 1467 O GLU A 884 -22.193 0.073 -5.119 1.00 0.00 O ATOM 1468 CB GLU A 884 -24.990 -1.406 -5.563 1.00 0.00 C ATOM 1469 CG GLU A 884 -26.096 -0.363 -5.587 1.00 0.00 C ATOM 1470 CD GLU A 884 -26.944 -0.444 -6.833 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -27.741 -1.396 -6.955 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -26.814 0.442 -7.701 1.00 0.00 O ATOM 0 H GLU A 884 -25.802 -1.257 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 884 -23.337 -2.095 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -24.415 -1.335 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -25.439 -2.399 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -26.731 -0.492 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -25.654 0.631 -5.517 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.772 1.095 -3.881 1.00 0.00 N ATOM 1480 CA GLU A 885 -23.107 2.390 -3.900 1.00 0.00 C ATOM 1481 C GLU A 885 -21.779 2.278 -3.160 1.00 0.00 C ATOM 1482 O GLU A 885 -20.756 2.798 -3.605 1.00 0.00 O ATOM 1483 CB GLU A 885 -24.015 3.450 -3.263 1.00 0.00 C ATOM 1484 CG GLU A 885 -23.820 4.860 -3.810 1.00 0.00 C ATOM 1485 CD GLU A 885 -22.769 5.657 -3.070 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -23.106 6.268 -2.035 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -21.608 5.697 -3.520 1.00 0.00 O ATOM 0 H GLU A 885 -24.653 1.081 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.908 2.696 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -25.054 3.157 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -23.838 3.463 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -23.542 4.797 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -24.769 5.394 -3.762 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.798 1.551 -2.047 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.589 1.285 -1.280 1.00 0.00 C ATOM 1496 C GLN A 886 -19.608 0.438 -2.083 1.00 0.00 C ATOM 1497 O GLN A 886 -18.395 0.632 -1.997 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.930 0.587 0.034 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.503 1.520 1.083 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.504 2.569 1.530 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -20.874 3.685 1.889 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -19.226 2.216 1.513 1.00 0.00 N ATOM 0 H GLN A 886 -22.643 1.134 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 886 -20.116 2.242 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.647 -0.210 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -20.030 0.116 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.389 2.013 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.825 0.938 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -18.960 1.280 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.509 2.881 1.805 1.00 0.00 H new ATOM 1511 N GLN A 887 -20.139 -0.494 -2.870 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.304 -1.350 -3.709 1.00 0.00 C ATOM 1513 C GLN A 887 -18.553 -0.507 -4.730 1.00 0.00 C ATOM 1514 O GLN A 887 -17.368 -0.723 -4.981 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.147 -2.406 -4.434 1.00 0.00 C ATOM 1516 CG GLN A 887 -21.062 -3.204 -3.522 1.00 0.00 C ATOM 1517 CD GLN A 887 -20.328 -3.897 -2.390 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -19.168 -4.284 -2.522 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -21.004 -4.048 -1.266 1.00 0.00 N ATOM 0 H GLN A 887 -21.140 -0.676 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.591 -1.862 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.751 -1.913 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.480 -3.094 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.816 -2.538 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -21.591 -3.951 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.965 -3.712 -1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -20.565 -4.501 -0.464 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.251 0.469 -5.302 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.649 1.378 -6.267 1.00 0.00 C ATOM 1530 C GLN A 888 -17.572 2.230 -5.602 1.00 0.00 C ATOM 1531 O GLN A 888 -16.499 2.440 -6.170 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.718 2.271 -6.903 1.00 0.00 C ATOM 1533 CG GLN A 888 -19.152 3.269 -7.897 1.00 0.00 C ATOM 1534 CD GLN A 888 -18.444 2.608 -9.064 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -18.814 1.519 -9.499 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -17.406 3.258 -9.563 1.00 0.00 N ATOM 0 H GLN A 888 -20.237 0.650 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.183 0.783 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.453 1.643 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -20.246 2.811 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -19.961 3.894 -8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.454 3.929 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -17.133 4.160 -9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -16.879 2.858 -10.339 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.856 2.703 -4.389 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.874 3.460 -3.619 1.00 0.00 C ATOM 1547 C ARG A 889 -15.617 2.634 -3.413 1.00 0.00 C ATOM 1548 O ARG A 889 -14.499 3.131 -3.556 1.00 0.00 O ATOM 1549 CB ARG A 889 -17.429 3.860 -2.252 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.644 4.764 -2.312 1.00 0.00 C ATOM 1551 CD ARG A 889 -19.076 5.171 -0.916 1.00 0.00 C ATOM 1552 NE ARG A 889 -20.302 5.960 -0.922 1.00 0.00 N ATOM 1553 CZ ARG A 889 -20.670 6.759 0.077 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -19.861 6.951 1.115 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -21.840 7.380 0.023 1.00 0.00 N ATOM 0 H ARG A 889 -18.754 2.576 -3.922 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.640 4.362 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.690 2.957 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.644 4.363 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -18.415 5.652 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -19.462 4.250 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -19.225 4.278 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.279 5.746 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 889 -20.912 5.896 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -18.954 6.485 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -20.147 7.564 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -22.453 7.244 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -22.127 7.993 0.786 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.811 1.365 -3.076 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.704 0.450 -2.854 1.00 0.00 C ATOM 1571 C LEU A 890 -13.910 0.236 -4.134 1.00 0.00 C ATOM 1572 O LEU A 890 -12.685 0.196 -4.107 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.217 -0.886 -2.318 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.143 -1.947 -2.089 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.095 -1.449 -1.106 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.775 -3.229 -1.584 1.00 0.00 C ATOM 0 H LEU A 890 -16.732 0.946 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 890 -14.040 0.894 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.736 -0.707 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.954 -1.282 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.649 -2.149 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.340 -2.221 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.623 -0.550 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.571 -1.219 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.000 -3.978 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.291 -3.034 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.489 -3.597 -2.320 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.617 0.105 -5.254 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.971 -0.040 -6.554 1.00 0.00 C ATOM 1590 C ARG A 891 -12.991 1.100 -6.792 1.00 0.00 C ATOM 1591 O ARG A 891 -11.820 0.877 -7.098 1.00 0.00 O ATOM 1592 CB ARG A 891 -15.007 -0.057 -7.680 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.873 -1.303 -7.712 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.847 -1.262 -8.880 1.00 0.00 C ATOM 1595 NE ARG A 891 -16.153 -1.169 -10.166 1.00 0.00 N ATOM 1596 CZ ARG A 891 -16.759 -0.899 -11.323 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -18.064 -0.670 -11.359 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -16.052 -0.846 -12.443 1.00 0.00 N ATOM 0 H ARG A 891 -15.636 0.096 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.432 -0.988 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.651 0.817 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.490 0.037 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -15.241 -2.187 -7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -16.425 -1.390 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.468 -2.158 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -17.516 -0.409 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 891 -15.144 -1.320 -10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -18.611 -0.700 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -18.521 -0.464 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -15.046 -1.012 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -16.514 -0.640 -13.329 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.480 2.321 -6.627 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.675 3.510 -6.856 1.00 0.00 C ATOM 1614 C GLU A 892 -11.579 3.654 -5.798 1.00 0.00 C ATOM 1615 O GLU A 892 -10.460 4.069 -6.108 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.577 4.745 -6.867 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.565 4.754 -8.024 1.00 0.00 C ATOM 1618 CD GLU A 892 -15.592 5.860 -7.913 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -15.194 7.039 -7.813 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -16.804 5.556 -7.915 1.00 0.00 O ATOM 0 H GLU A 892 -14.438 2.514 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 892 -12.184 3.413 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -14.127 4.794 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.957 5.640 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -14.019 4.865 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -15.077 3.793 -8.066 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.896 3.303 -4.559 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.941 3.419 -3.463 1.00 0.00 C ATOM 1629 C ALA A 893 -9.806 2.414 -3.610 1.00 0.00 C ATOM 1630 O ALA A 893 -8.638 2.757 -3.425 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.637 3.231 -2.125 1.00 0.00 C ATOM 0 H ALA A 893 -12.808 2.935 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.514 4.421 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.908 3.321 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.406 3.994 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -12.097 2.243 -2.090 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.153 1.176 -3.948 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.160 0.125 -4.110 1.00 0.00 C ATOM 1639 C ALA A 894 -8.227 0.441 -5.267 1.00 0.00 C ATOM 1640 O ALA A 894 -7.027 0.203 -5.179 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.825 -1.228 -4.310 1.00 0.00 C ATOM 0 H ALA A 894 -11.114 0.878 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.568 0.077 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.060 -1.995 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.442 -1.462 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.450 -1.198 -5.203 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.780 0.986 -6.345 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.970 1.430 -7.471 1.00 0.00 C ATOM 1649 C GLU A 895 -7.000 2.521 -7.030 1.00 0.00 C ATOM 1650 O GLU A 895 -5.829 2.511 -7.403 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.855 1.948 -8.607 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.644 0.858 -9.310 1.00 0.00 C ATOM 1653 CD GLU A 895 -8.755 -0.169 -9.974 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -7.969 0.202 -10.873 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -8.829 -1.356 -9.595 1.00 0.00 O ATOM 0 H GLU A 895 -9.783 1.130 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.401 0.575 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.549 2.687 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -8.230 2.461 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -10.291 0.360 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -10.293 1.311 -10.060 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.498 3.450 -6.220 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.664 4.515 -5.700 1.00 0.00 C ATOM 1664 C GLY A 896 -5.554 3.996 -4.807 1.00 0.00 C ATOM 1665 O GLY A 896 -4.399 4.391 -4.953 1.00 0.00 O ATOM 0 H GLY A 896 -8.470 3.483 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -6.229 5.070 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -7.282 5.215 -5.138 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.907 3.105 -3.887 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.935 2.498 -2.980 1.00 0.00 C ATOM 1671 C LEU A 897 -3.933 1.656 -3.764 1.00 0.00 C ATOM 1672 O LEU A 897 -2.724 1.737 -3.537 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.672 1.652 -1.922 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.811 0.995 -0.826 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.221 -0.322 -1.305 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.703 1.933 -0.370 1.00 0.00 C ATOM 0 H LEU A 897 -6.865 2.784 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.378 3.282 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.412 2.288 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.220 0.864 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.462 0.789 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.619 -0.761 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -5.027 -1.006 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.594 -0.143 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.110 1.446 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -3.063 2.179 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -4.142 2.847 0.031 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.446 0.861 -4.694 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.612 0.015 -5.536 1.00 0.00 C ATOM 1690 C ARG A 898 -2.626 0.868 -6.322 1.00 0.00 C ATOM 1691 O ARG A 898 -1.427 0.598 -6.327 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.492 -0.798 -6.490 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.744 -1.831 -7.311 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.707 -2.658 -8.145 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.028 -3.719 -8.886 1.00 0.00 N ATOM 1696 CZ ARG A 898 -4.613 -4.855 -9.267 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -5.899 -5.072 -9.000 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -3.912 -5.767 -9.926 1.00 0.00 N ATOM 0 H ARG A 898 -5.445 0.785 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 898 -3.049 -0.672 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -5.264 -1.303 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -5.000 -0.112 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -3.026 -1.333 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -3.175 -2.485 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -5.462 -3.098 -7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -5.230 -2.006 -8.845 1.00 0.00 H new ATOM 0 HE ARG A 898 -3.046 -3.582 -9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -6.442 -4.367 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -6.341 -5.943 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -2.929 -5.598 -10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -4.356 -6.637 -10.219 1.00 0.00 H new ATOM 1712 N MET A 899 -3.139 1.912 -6.962 1.00 0.00 N ATOM 1713 CA MET A 899 -2.307 2.830 -7.729 1.00 0.00 C ATOM 1714 C MET A 899 -1.293 3.530 -6.833 1.00 0.00 C ATOM 1715 O MET A 899 -0.119 3.627 -7.182 1.00 0.00 O ATOM 1716 CB MET A 899 -3.174 3.868 -8.443 1.00 0.00 C ATOM 1717 CG MET A 899 -2.381 4.870 -9.269 1.00 0.00 C ATOM 1718 SD MET A 899 -3.435 6.078 -10.097 1.00 0.00 S ATOM 1719 CE MET A 899 -4.253 6.834 -8.693 1.00 0.00 C ATOM 0 H MET A 899 -4.132 2.144 -6.964 1.00 0.00 H new ATOM 0 HA MET A 899 -1.765 2.246 -8.473 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.879 3.352 -9.095 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.762 4.408 -7.701 1.00 0.00 H new ATOM 0 HG2 MET A 899 -1.676 5.392 -8.621 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.793 4.335 -10.015 1.00 0.00 H new ATOM 0 HE1 MET A 899 -4.399 7.897 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 899 -5.221 6.358 -8.536 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.638 6.708 -7.802 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.746 4.006 -5.678 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.874 4.704 -4.739 1.00 0.00 C ATOM 1731 C ALA A 900 0.267 3.805 -4.280 1.00 0.00 C ATOM 1732 O ALA A 900 1.428 4.211 -4.283 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.666 5.201 -3.542 1.00 0.00 C ATOM 0 H ALA A 900 -2.714 3.921 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.445 5.563 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -0.998 5.719 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.443 5.887 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -2.126 4.354 -3.033 1.00 0.00 H new ATOM 1739 N THR A 901 -0.069 2.581 -3.901 1.00 0.00 N ATOM 1740 CA THR A 901 0.926 1.622 -3.451 1.00 0.00 C ATOM 1741 C THR A 901 1.872 1.243 -4.586 1.00 0.00 C ATOM 1742 O THR A 901 3.089 1.224 -4.413 1.00 0.00 O ATOM 1743 CB THR A 901 0.265 0.346 -2.910 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.697 0.682 -1.904 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.312 -0.592 -2.330 1.00 0.00 C ATOM 0 H THR A 901 -1.026 2.229 -3.897 1.00 0.00 H new ATOM 0 HA THR A 901 1.491 2.101 -2.651 1.00 0.00 H new ATOM 0 HB THR A 901 -0.239 -0.159 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.488 1.076 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 901 0.825 -1.491 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.026 -0.866 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 901 1.836 -0.093 -1.515 1.00 0.00 H new ATOM 1753 N ASN A 902 1.301 0.945 -5.747 1.00 0.00 N ATOM 1754 CA ASN A 902 2.077 0.551 -6.910 1.00 0.00 C ATOM 1755 C ASN A 902 3.029 1.682 -7.304 1.00 0.00 C ATOM 1756 O ASN A 902 4.173 1.448 -7.687 1.00 0.00 O ATOM 1757 CB ASN A 902 1.146 0.218 -8.081 1.00 0.00 C ATOM 1758 CG ASN A 902 1.825 -0.582 -9.183 1.00 0.00 C ATOM 1759 OD1 ASN A 902 3.032 -0.485 -9.400 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.042 -1.377 -9.893 1.00 0.00 N ATOM 0 H ASN A 902 0.294 0.970 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 902 2.659 -0.337 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.291 -0.345 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.757 1.145 -8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 902 1.435 -1.936 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.045 -1.431 -9.683 1.00 0.00 H new ATOM 1767 N ALA A 903 2.543 2.915 -7.191 1.00 0.00 N ATOM 1768 CA ALA A 903 3.354 4.091 -7.473 1.00 0.00 C ATOM 1769 C ALA A 903 4.449 4.258 -6.425 1.00 0.00 C ATOM 1770 O ALA A 903 5.598 4.535 -6.760 1.00 0.00 O ATOM 1771 CB ALA A 903 2.484 5.337 -7.540 1.00 0.00 C ATOM 0 H ALA A 903 1.587 3.124 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 903 3.830 3.951 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.108 6.205 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 903 1.743 5.221 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 903 1.977 5.478 -6.586 1.00 0.00 H new ATOM 1777 N ALA A 904 4.092 4.076 -5.156 1.00 0.00 N ATOM 1778 CA ALA A 904 5.065 4.143 -4.066 1.00 0.00 C ATOM 1779 C ALA A 904 6.136 3.074 -4.245 1.00 0.00 C ATOM 1780 O ALA A 904 7.291 3.261 -3.863 1.00 0.00 O ATOM 1781 CB ALA A 904 4.377 3.982 -2.719 1.00 0.00 C ATOM 0 H ALA A 904 3.137 3.881 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 904 5.541 5.123 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.119 4.035 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 904 3.645 4.779 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 904 3.873 3.016 -2.681 1.00 0.00 H new ATOM 1787 N ALA A 905 5.734 1.960 -4.843 1.00 0.00 N ATOM 1788 CA ALA A 905 6.646 0.882 -5.185 1.00 0.00 C ATOM 1789 C ALA A 905 7.719 1.370 -6.153 1.00 0.00 C ATOM 1790 O ALA A 905 8.885 0.988 -6.054 1.00 0.00 O ATOM 1791 CB ALA A 905 5.864 -0.274 -5.795 1.00 0.00 C ATOM 0 H ALA A 905 4.764 1.780 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 905 7.143 0.538 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 905 6.549 -1.082 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.129 -0.636 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.353 0.067 -6.695 1.00 0.00 H new ATOM 1797 N GLN A 906 7.316 2.241 -7.070 1.00 0.00 N ATOM 1798 CA GLN A 906 8.221 2.780 -8.077 1.00 0.00 C ATOM 1799 C GLN A 906 9.167 3.804 -7.457 1.00 0.00 C ATOM 1800 O GLN A 906 10.255 4.048 -7.963 1.00 0.00 O ATOM 1801 CB GLN A 906 7.432 3.433 -9.214 1.00 0.00 C ATOM 1802 CG GLN A 906 6.296 2.575 -9.752 1.00 0.00 C ATOM 1803 CD GLN A 906 6.764 1.247 -10.321 1.00 0.00 C ATOM 1804 OE1 GLN A 906 7.874 1.132 -10.840 1.00 0.00 O ATOM 1805 NE2 GLN A 906 5.914 0.235 -10.223 1.00 0.00 N ATOM 0 H GLN A 906 6.360 2.591 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 906 8.807 1.954 -8.479 1.00 0.00 H new ATOM 0 HB2 GLN A 906 7.023 4.380 -8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 906 8.116 3.665 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 906 5.581 2.387 -8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 906 5.768 3.129 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 906 5.003 0.374 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 906 6.170 -0.683 -10.586 1.00 0.00 H new ATOM 1814 N ASN A 907 8.749 4.393 -6.342 1.00 0.00 N ATOM 1815 CA ASN A 907 9.554 5.403 -5.657 1.00 0.00 C ATOM 1816 C ASN A 907 10.772 4.773 -4.990 1.00 0.00 C ATOM 1817 O ASN A 907 11.642 5.473 -4.469 1.00 0.00 O ATOM 1818 CB ASN A 907 8.719 6.163 -4.620 1.00 0.00 C ATOM 1819 CG ASN A 907 7.826 7.221 -5.246 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.207 8.385 -5.362 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.637 6.826 -5.665 1.00 0.00 N ATOM 0 H ASN A 907 7.857 4.190 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 907 9.900 6.112 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 907 8.103 5.455 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 907 9.386 6.637 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 907 6.002 7.495 -6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 907 6.354 5.852 -5.553 1.00 0.00 H new ATOM 1828 N ALA A 908 10.835 3.449 -5.015 1.00 0.00 N ATOM 1829 CA ALA A 908 11.971 2.722 -4.470 1.00 0.00 C ATOM 1830 C ALA A 908 13.115 2.671 -5.485 1.00 0.00 C ATOM 1831 O ALA A 908 13.640 1.600 -5.785 1.00 0.00 O ATOM 1832 CB ALA A 908 11.551 1.317 -4.065 1.00 0.00 C ATOM 0 H ALA A 908 10.107 2.854 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 908 12.326 3.247 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.410 0.783 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.769 1.375 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.173 0.785 -4.938 1.00 0.00 H new