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= -0.46 K(o=-0.46,f=-1.3!) USER MOD Set 1.2: A 906 GLN : amide:sc= 0 X(o=-0.46,f=-0.94) USER MOD Set 2.1: A 833 THR OG1 : rot 79:sc= 1.04 USER MOD Set 2.2: A 867 THR OG1 : rot 72:sc= -0.618 USER MOD Set 3.1: A 816 MET CE :methyl 145:sc= -0.265 (180deg=-1.33!) USER MOD Set 3.2: A 887 GLN : amide:sc= 0.542 K(o=0.28,f=-3.1) USER MOD Single : A 798 TYR OH : rot 44:sc= -0.651! USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 802 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 804 THR OG1 : rot 74:sc= 0.483 USER MOD Single : A 807 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 809 THR OG1 : rot 53:sc= 1.27 USER MOD Single : A 811 ASN : amide:sc= 1.09 K(o=1.1,f=-0.18) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 85:sc= 1.27 USER MOD Single : A 822 MET CE :methyl 158:sc= -0.262 (180deg=-1.07) USER MOD Single : A 825 GLN : amide:sc= 0.231 K(o=0.23,f=-7.1!) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 53:sc= 1.23 USER MOD Single : A 838 ASN : amide:sc= 1.19 K(o=1.2,f=-0.051) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 180:sc= 0 USER MOD Single : A 852 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.2) USER MOD Single : A 853 SER OG : rot 65:sc= 0.704 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 77:sc= 1.27 USER MOD Single : A 861 LYS NZ :NH3+ 162:sc= -0.0432 (180deg=-0.278) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 138:sc= -0.643 (180deg=-1.1) USER MOD Single : A 875 LYS NZ :NH3+ -145:sc= -1.5 (180deg=-3.82!) USER MOD Single : A 880 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 883 SER OG : rot -170:sc= -0.458 USER MOD Single : A 886 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.2!) USER MOD Single : A 888 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 899 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 901 THR OG1 : rot 79:sc= 0.854 USER MOD Single : A 907 ASN : amide:sc= -0.0489 K(o=-0.049,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 10.347 -2.234 0.663 1.00 0.00 N ATOM 220 CA TYR A 798 9.228 -1.629 -0.025 1.00 0.00 C ATOM 221 C TYR A 798 8.640 -2.617 -1.013 1.00 0.00 C ATOM 222 O TYR A 798 7.428 -2.731 -1.136 1.00 0.00 O ATOM 223 CB TYR A 798 9.683 -0.363 -0.758 1.00 0.00 C ATOM 224 CG TYR A 798 10.436 0.621 0.118 1.00 0.00 C ATOM 225 CD1 TYR A 798 11.770 0.412 0.449 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.808 1.760 0.615 1.00 0.00 C ATOM 227 CE1 TYR A 798 12.455 1.311 1.248 1.00 0.00 C ATOM 228 CE2 TYR A 798 10.486 2.659 1.410 1.00 0.00 C ATOM 229 CZ TYR A 798 11.825 2.416 1.723 1.00 0.00 C ATOM 230 OH TYR A 798 12.478 3.326 2.513 1.00 0.00 O ATOM 0 HA TYR A 798 8.466 -1.357 0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 798 10.320 -0.649 -1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.809 0.135 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 798 12.279 -0.465 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 798 8.771 1.942 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 798 13.492 1.133 1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 798 9.988 3.540 1.786 1.00 0.00 H new ATOM 0 HH TYR A 798 13.368 3.502 2.142 1.00 0.00 H new ATOM 240 N ASP A 799 9.511 -3.360 -1.678 1.00 0.00 N ATOM 241 CA ASP A 799 9.090 -4.301 -2.706 1.00 0.00 C ATOM 242 C ASP A 799 8.304 -5.447 -2.088 1.00 0.00 C ATOM 243 O ASP A 799 7.276 -5.858 -2.618 1.00 0.00 O ATOM 244 CB ASP A 799 10.306 -4.861 -3.450 1.00 0.00 C ATOM 245 CG ASP A 799 11.067 -3.807 -4.232 1.00 0.00 C ATOM 246 OD1 ASP A 799 10.746 -3.595 -5.420 1.00 0.00 O ATOM 247 OD2 ASP A 799 12.003 -3.201 -3.671 1.00 0.00 O ATOM 0 H ASP A 799 10.519 -3.330 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 799 8.452 -3.769 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 799 10.980 -5.328 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 799 9.977 -5.644 -4.133 1.00 0.00 H new ATOM 252 N GLN A 800 8.778 -5.934 -0.948 1.00 0.00 N ATOM 253 CA GLN A 800 8.114 -7.021 -0.238 1.00 0.00 C ATOM 254 C GLN A 800 6.770 -6.565 0.324 1.00 0.00 C ATOM 255 O GLN A 800 5.760 -7.251 0.170 1.00 0.00 O ATOM 256 CB GLN A 800 9.013 -7.542 0.888 1.00 0.00 C ATOM 257 CG GLN A 800 10.253 -8.259 0.384 1.00 0.00 C ATOM 258 CD GLN A 800 11.274 -8.525 1.473 1.00 0.00 C ATOM 259 OE1 GLN A 800 11.239 -9.555 2.144 1.00 0.00 O ATOM 260 NE2 GLN A 800 12.203 -7.600 1.648 1.00 0.00 N ATOM 0 H GLN A 800 9.624 -5.591 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 800 7.928 -7.829 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 800 9.316 -6.706 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 800 8.439 -8.222 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 800 9.959 -9.206 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 800 10.716 -7.662 -0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 800 12.200 -6.758 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 800 12.923 -7.728 2.359 1.00 0.00 H new ATOM 269 N ALA A 801 6.761 -5.397 0.957 1.00 0.00 N ATOM 270 CA ALA A 801 5.547 -4.870 1.570 1.00 0.00 C ATOM 271 C ALA A 801 4.492 -4.529 0.520 1.00 0.00 C ATOM 272 O ALA A 801 3.317 -4.865 0.678 1.00 0.00 O ATOM 273 CB ALA A 801 5.866 -3.649 2.418 1.00 0.00 C ATOM 0 H ALA A 801 7.580 -4.797 1.059 1.00 0.00 H new ATOM 0 HA ALA A 801 5.136 -5.648 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 801 4.949 -3.269 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 801 6.568 -3.926 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 801 6.310 -2.876 1.791 1.00 0.00 H new ATOM 279 N THR A 802 4.914 -3.875 -0.558 1.00 0.00 N ATOM 280 CA THR A 802 3.985 -3.465 -1.600 1.00 0.00 C ATOM 281 C THR A 802 3.446 -4.665 -2.358 1.00 0.00 C ATOM 282 O THR A 802 2.279 -4.686 -2.727 1.00 0.00 O ATOM 283 CB THR A 802 4.621 -2.481 -2.596 1.00 0.00 C ATOM 284 OG1 THR A 802 5.822 -3.039 -3.146 1.00 0.00 O ATOM 285 CG2 THR A 802 4.925 -1.155 -1.917 1.00 0.00 C ATOM 0 H THR A 802 5.886 -3.620 -0.730 1.00 0.00 H new ATOM 0 HA THR A 802 3.165 -2.956 -1.093 1.00 0.00 H new ATOM 0 HB THR A 802 3.912 -2.303 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.536 -3.004 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.375 -0.472 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.001 -0.722 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 802 5.618 -1.319 -1.092 1.00 0.00 H new ATOM 293 N ASP A 803 4.294 -5.664 -2.580 1.00 0.00 N ATOM 294 CA ASP A 803 3.864 -6.899 -3.228 1.00 0.00 C ATOM 295 C ASP A 803 2.694 -7.508 -2.467 1.00 0.00 C ATOM 296 O ASP A 803 1.691 -7.914 -3.061 1.00 0.00 O ATOM 297 CB ASP A 803 5.019 -7.898 -3.303 1.00 0.00 C ATOM 298 CG ASP A 803 4.595 -9.235 -3.873 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.559 -9.376 -5.111 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.299 -10.156 -3.083 1.00 0.00 O ATOM 0 H ASP A 803 5.281 -5.643 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 803 3.544 -6.664 -4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 803 5.816 -7.481 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.431 -8.047 -2.305 1.00 0.00 H new ATOM 305 N THR A 804 2.826 -7.542 -1.147 1.00 0.00 N ATOM 306 CA THR A 804 1.760 -8.014 -0.283 1.00 0.00 C ATOM 307 C THR A 804 0.515 -7.139 -0.436 1.00 0.00 C ATOM 308 O THR A 804 -0.561 -7.635 -0.761 1.00 0.00 O ATOM 309 CB THR A 804 2.213 -8.024 1.189 1.00 0.00 C ATOM 310 OG1 THR A 804 3.441 -8.753 1.311 1.00 0.00 O ATOM 311 CG2 THR A 804 1.154 -8.653 2.085 1.00 0.00 C ATOM 0 H THR A 804 3.667 -7.246 -0.652 1.00 0.00 H new ATOM 0 HA THR A 804 1.514 -9.033 -0.581 1.00 0.00 H new ATOM 0 HB THR A 804 2.363 -6.992 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.178 -8.215 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.501 -8.646 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.228 -8.083 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 804 0.974 -9.681 1.769 1.00 0.00 H new ATOM 319 N ILE A 805 0.678 -5.831 -0.233 1.00 0.00 N ATOM 320 CA ILE A 805 -0.436 -4.888 -0.337 1.00 0.00 C ATOM 321 C ILE A 805 -1.120 -4.980 -1.704 1.00 0.00 C ATOM 322 O ILE A 805 -2.336 -5.135 -1.781 1.00 0.00 O ATOM 323 CB ILE A 805 0.030 -3.433 -0.098 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.552 -3.260 1.333 1.00 0.00 C ATOM 325 CG2 ILE A 805 -1.101 -2.451 -0.374 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.140 -1.893 1.602 1.00 0.00 C ATOM 0 H ILE A 805 1.572 -5.400 0.005 1.00 0.00 H new ATOM 0 HA ILE A 805 -1.152 -5.163 0.438 1.00 0.00 H new ATOM 0 HB ILE A 805 0.845 -3.221 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 805 -0.264 -3.439 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.311 -4.018 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.750 -1.434 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.424 -2.550 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.939 -2.665 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.489 -1.843 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 805 1.978 -1.718 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.378 -1.131 1.440 1.00 0.00 H new ATOM 338 N LEU A 806 -0.328 -4.902 -2.770 1.00 0.00 N ATOM 339 CA LEU A 806 -0.841 -4.986 -4.139 1.00 0.00 C ATOM 340 C LEU A 806 -1.712 -6.226 -4.324 1.00 0.00 C ATOM 341 O LEU A 806 -2.836 -6.143 -4.825 1.00 0.00 O ATOM 342 CB LEU A 806 0.325 -5.021 -5.136 1.00 0.00 C ATOM 343 CG LEU A 806 0.731 -3.668 -5.741 1.00 0.00 C ATOM 344 CD1 LEU A 806 0.794 -2.585 -4.684 1.00 0.00 C ATOM 345 CD2 LEU A 806 2.078 -3.789 -6.434 1.00 0.00 C ATOM 0 H LEU A 806 0.683 -4.779 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.453 -4.104 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.194 -5.448 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 806 0.062 -5.697 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 806 -0.030 -3.387 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 806 1.084 -1.642 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.185 -2.475 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 806 1.528 -2.858 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.356 -2.825 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 806 2.833 -4.098 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.012 -4.531 -7.230 1.00 0.00 H new ATOM 357 N THR A 807 -1.195 -7.365 -3.884 1.00 0.00 N ATOM 358 CA THR A 807 -1.885 -8.634 -4.045 1.00 0.00 C ATOM 359 C THR A 807 -3.120 -8.719 -3.143 1.00 0.00 C ATOM 360 O THR A 807 -4.180 -9.167 -3.573 1.00 0.00 O ATOM 361 CB THR A 807 -0.937 -9.810 -3.748 1.00 0.00 C ATOM 362 OG1 THR A 807 0.272 -9.654 -4.508 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.586 -11.141 -4.096 1.00 0.00 C ATOM 0 H THR A 807 -0.294 -7.434 -3.410 1.00 0.00 H new ATOM 0 HA THR A 807 -2.215 -8.696 -5.082 1.00 0.00 H new ATOM 0 HB THR A 807 -0.712 -9.807 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 807 0.934 -9.167 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.893 -11.953 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.493 -11.269 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.838 -11.157 -5.156 1.00 0.00 H new ATOM 371 N VAL A 808 -2.991 -8.280 -1.897 1.00 0.00 N ATOM 372 CA VAL A 808 -4.117 -8.306 -0.969 1.00 0.00 C ATOM 373 C VAL A 808 -5.223 -7.364 -1.439 1.00 0.00 C ATOM 374 O VAL A 808 -6.405 -7.682 -1.316 1.00 0.00 O ATOM 375 CB VAL A 808 -3.690 -7.945 0.476 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.896 -7.874 1.403 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.687 -8.958 1.001 1.00 0.00 C ATOM 0 H VAL A 808 -2.126 -7.905 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.497 -9.328 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 808 -3.221 -6.962 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.566 -7.619 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.587 -7.112 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.399 -8.841 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.397 -8.690 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -3.138 -9.950 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.805 -8.962 0.361 1.00 0.00 H new ATOM 387 N THR A 809 -4.832 -6.226 -2.010 1.00 0.00 N ATOM 388 CA THR A 809 -5.784 -5.238 -2.508 1.00 0.00 C ATOM 389 C THR A 809 -6.753 -5.845 -3.521 1.00 0.00 C ATOM 390 O THR A 809 -7.971 -5.757 -3.354 1.00 0.00 O ATOM 391 CB THR A 809 -5.069 -4.044 -3.163 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.265 -3.361 -2.197 1.00 0.00 O ATOM 393 CG2 THR A 809 -6.083 -3.087 -3.765 1.00 0.00 C ATOM 0 H THR A 809 -3.854 -5.965 -2.139 1.00 0.00 H new ATOM 0 HA THR A 809 -6.345 -4.892 -1.640 1.00 0.00 H new ATOM 0 HB THR A 809 -4.425 -4.418 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.671 -4.002 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.562 -2.247 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.670 -3.608 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.745 -2.718 -2.982 1.00 0.00 H new ATOM 401 N GLU A 810 -6.213 -6.467 -4.565 1.00 0.00 N ATOM 402 CA GLU A 810 -7.048 -7.090 -5.584 1.00 0.00 C ATOM 403 C GLU A 810 -7.880 -8.206 -4.962 1.00 0.00 C ATOM 404 O GLU A 810 -8.962 -8.541 -5.444 1.00 0.00 O ATOM 405 CB GLU A 810 -6.204 -7.628 -6.746 1.00 0.00 C ATOM 406 CG GLU A 810 -5.201 -8.695 -6.341 1.00 0.00 C ATOM 407 CD GLU A 810 -4.468 -9.289 -7.522 1.00 0.00 C ATOM 408 OE1 GLU A 810 -5.043 -10.152 -8.219 1.00 0.00 O ATOM 409 OE2 GLU A 810 -3.311 -8.892 -7.768 1.00 0.00 O ATOM 0 H GLU A 810 -5.209 -6.552 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.717 -6.331 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -6.870 -8.039 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -5.669 -6.798 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.477 -8.263 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -5.719 -9.489 -5.804 1.00 0.00 H new ATOM 416 N ASN A 811 -7.375 -8.761 -3.869 1.00 0.00 N ATOM 417 CA ASN A 811 -8.065 -9.827 -3.168 1.00 0.00 C ATOM 418 C ASN A 811 -9.303 -9.319 -2.437 1.00 0.00 C ATOM 419 O ASN A 811 -10.191 -10.106 -2.117 1.00 0.00 O ATOM 420 CB ASN A 811 -7.131 -10.561 -2.203 1.00 0.00 C ATOM 421 CG ASN A 811 -6.479 -11.773 -2.841 1.00 0.00 C ATOM 422 OD1 ASN A 811 -7.007 -12.880 -2.771 1.00 0.00 O ATOM 423 ND2 ASN A 811 -5.333 -11.575 -3.471 1.00 0.00 N ATOM 0 H ASN A 811 -6.486 -8.487 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.396 -10.538 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.358 -9.875 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.694 -10.875 -1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.856 -12.357 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.926 -10.640 -3.507 1.00 0.00 H new ATOM 430 N ILE A 812 -9.369 -8.015 -2.160 1.00 0.00 N ATOM 431 CA ILE A 812 -10.600 -7.422 -1.632 1.00 0.00 C ATOM 432 C ILE A 812 -11.737 -7.678 -2.615 1.00 0.00 C ATOM 433 O ILE A 812 -12.838 -8.066 -2.226 1.00 0.00 O ATOM 434 CB ILE A 812 -10.475 -5.890 -1.369 1.00 0.00 C ATOM 435 CG1 ILE A 812 -9.783 -5.605 -0.035 1.00 0.00 C ATOM 436 CG2 ILE A 812 -11.834 -5.205 -1.392 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.280 -5.716 -0.080 1.00 0.00 C ATOM 0 H ILE A 812 -8.599 -7.359 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 812 -10.801 -7.893 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 812 -9.865 -5.484 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.052 -4.601 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.165 -6.298 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -11.707 -4.139 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.298 -5.350 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.472 -5.635 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -7.869 -5.499 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -7.998 -6.727 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -7.884 -5.003 -0.803 1.00 0.00 H new ATOM 449 N PHE A 813 -11.433 -7.499 -3.895 1.00 0.00 N ATOM 450 CA PHE A 813 -12.402 -7.707 -4.962 1.00 0.00 C ATOM 451 C PHE A 813 -12.787 -9.181 -5.058 1.00 0.00 C ATOM 452 O PHE A 813 -13.933 -9.520 -5.345 1.00 0.00 O ATOM 453 CB PHE A 813 -11.832 -7.214 -6.296 1.00 0.00 C ATOM 454 CG PHE A 813 -11.601 -5.728 -6.337 1.00 0.00 C ATOM 455 CD1 PHE A 813 -10.548 -5.161 -5.637 1.00 0.00 C ATOM 456 CD2 PHE A 813 -12.429 -4.898 -7.077 1.00 0.00 C ATOM 457 CE1 PHE A 813 -10.327 -3.798 -5.676 1.00 0.00 C ATOM 458 CE2 PHE A 813 -12.210 -3.536 -7.122 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.189 -2.980 -6.404 1.00 0.00 C ATOM 0 H PHE A 813 -10.512 -7.207 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.300 -7.134 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.890 -7.726 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.516 -7.490 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -9.893 -5.792 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -13.257 -5.323 -7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -9.490 -3.368 -5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -12.848 -2.908 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.050 -1.909 -6.401 1.00 0.00 H new ATOM 469 N SER A 814 -11.825 -10.052 -4.794 1.00 0.00 N ATOM 470 CA SER A 814 -12.064 -11.488 -4.820 1.00 0.00 C ATOM 471 C SER A 814 -12.879 -11.931 -3.603 1.00 0.00 C ATOM 472 O SER A 814 -13.646 -12.894 -3.671 1.00 0.00 O ATOM 473 CB SER A 814 -10.729 -12.232 -4.860 1.00 0.00 C ATOM 474 OG SER A 814 -9.897 -11.717 -5.888 1.00 0.00 O ATOM 0 H SER A 814 -10.868 -9.789 -4.558 1.00 0.00 H new ATOM 0 HA SER A 814 -12.638 -11.727 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 814 -10.226 -12.138 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.904 -13.295 -5.026 1.00 0.00 H new ATOM 0 HG SER A 814 -9.047 -12.205 -5.896 1.00 0.00 H new ATOM 480 N SER A 815 -12.713 -11.219 -2.493 1.00 0.00 N ATOM 481 CA SER A 815 -13.389 -11.565 -1.246 1.00 0.00 C ATOM 482 C SER A 815 -14.810 -11.006 -1.201 1.00 0.00 C ATOM 483 O SER A 815 -15.545 -11.250 -0.241 1.00 0.00 O ATOM 484 CB SER A 815 -12.589 -11.043 -0.051 1.00 0.00 C ATOM 485 OG SER A 815 -11.242 -11.489 -0.107 1.00 0.00 O ATOM 0 H SER A 815 -12.114 -10.396 -2.431 1.00 0.00 H new ATOM 0 HA SER A 815 -13.453 -12.652 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.615 -9.953 -0.039 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.050 -11.383 0.876 1.00 0.00 H new ATOM 0 HG SER A 815 -10.719 -10.880 -0.669 1.00 0.00 H new ATOM 491 N MET A 816 -15.185 -10.249 -2.232 1.00 0.00 N ATOM 492 CA MET A 816 -16.499 -9.609 -2.286 1.00 0.00 C ATOM 493 C MET A 816 -17.620 -10.636 -2.201 1.00 0.00 C ATOM 494 O MET A 816 -17.919 -11.339 -3.168 1.00 0.00 O ATOM 495 CB MET A 816 -16.641 -8.774 -3.554 1.00 0.00 C ATOM 496 CG MET A 816 -15.712 -7.575 -3.588 1.00 0.00 C ATOM 497 SD MET A 816 -15.983 -6.531 -5.028 1.00 0.00 S ATOM 498 CE MET A 816 -17.693 -6.092 -4.751 1.00 0.00 C ATOM 0 H MET A 816 -14.595 -10.064 -3.043 1.00 0.00 H new ATOM 0 HA MET A 816 -16.580 -8.949 -1.422 1.00 0.00 H new ATOM 0 HB2 MET A 816 -16.442 -9.404 -4.421 1.00 0.00 H new ATOM 0 HB3 MET A 816 -17.671 -8.429 -3.641 1.00 0.00 H new ATOM 0 HG2 MET A 816 -15.854 -6.984 -2.683 1.00 0.00 H new ATOM 0 HG3 MET A 816 -14.678 -7.921 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 816 -17.866 -5.070 -5.089 1.00 0.00 H new ATOM 0 HE2 MET A 816 -18.338 -6.772 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 816 -17.920 -6.165 -3.687 1.00 0.00 H new ATOM 508 N GLY A 817 -18.227 -10.709 -1.032 1.00 0.00 N ATOM 509 CA GLY A 817 -19.266 -11.681 -0.774 1.00 0.00 C ATOM 510 C GLY A 817 -19.413 -11.923 0.709 1.00 0.00 C ATOM 511 O GLY A 817 -20.519 -11.920 1.245 1.00 0.00 O ATOM 0 H GLY A 817 -18.014 -10.100 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.212 -11.328 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.028 -12.617 -1.279 1.00 0.00 H new ATOM 515 N ASP A 818 -18.283 -12.121 1.375 1.00 0.00 N ATOM 516 CA ASP A 818 -18.264 -12.214 2.825 1.00 0.00 C ATOM 517 C ASP A 818 -17.840 -10.870 3.393 1.00 0.00 C ATOM 518 O ASP A 818 -16.727 -10.408 3.145 1.00 0.00 O ATOM 519 CB ASP A 818 -17.306 -13.310 3.303 1.00 0.00 C ATOM 520 CG ASP A 818 -17.422 -13.579 4.794 1.00 0.00 C ATOM 521 OD1 ASP A 818 -17.123 -12.673 5.601 1.00 0.00 O ATOM 522 OD2 ASP A 818 -17.822 -14.701 5.170 1.00 0.00 O ATOM 0 H ASP A 818 -17.369 -12.220 0.933 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.263 -12.475 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.510 -14.230 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.282 -13.020 3.069 1.00 0.00 H new ATOM 527 N ALA A 819 -18.730 -10.250 4.149 1.00 0.00 N ATOM 528 CA ALA A 819 -18.505 -8.903 4.650 1.00 0.00 C ATOM 529 C ALA A 819 -17.310 -8.853 5.601 1.00 0.00 C ATOM 530 O ALA A 819 -16.375 -8.077 5.394 1.00 0.00 O ATOM 531 CB ALA A 819 -19.765 -8.392 5.331 1.00 0.00 C ATOM 0 H ALA A 819 -19.620 -10.660 4.431 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.271 -8.255 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.593 -7.383 5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.586 -8.378 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -20.021 -9.048 6.163 1.00 0.00 H new ATOM 537 N GLY A 820 -17.338 -9.689 6.628 1.00 0.00 N ATOM 538 CA GLY A 820 -16.234 -9.746 7.575 1.00 0.00 C ATOM 539 C GLY A 820 -14.896 -10.031 6.910 1.00 0.00 C ATOM 540 O GLY A 820 -13.875 -9.454 7.290 1.00 0.00 O ATOM 0 H GLY A 820 -18.105 -10.332 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -16.173 -8.799 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.437 -10.519 8.316 1.00 0.00 H new ATOM 544 N GLU A 821 -14.903 -10.904 5.908 1.00 0.00 N ATOM 545 CA GLU A 821 -13.677 -11.287 5.214 1.00 0.00 C ATOM 546 C GLU A 821 -13.127 -10.124 4.384 1.00 0.00 C ATOM 547 O GLU A 821 -11.913 -9.961 4.251 1.00 0.00 O ATOM 548 CB GLU A 821 -13.935 -12.507 4.328 1.00 0.00 C ATOM 549 CG GLU A 821 -12.677 -13.113 3.733 1.00 0.00 C ATOM 550 CD GLU A 821 -12.950 -14.423 3.028 1.00 0.00 C ATOM 551 OE1 GLU A 821 -12.914 -15.479 3.685 1.00 0.00 O ATOM 552 OE2 GLU A 821 -13.185 -14.407 1.800 1.00 0.00 O ATOM 0 H GLU A 821 -15.745 -11.361 5.557 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.927 -11.546 5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.450 -13.267 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -14.606 -12.220 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -12.235 -12.409 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.945 -13.274 4.524 1.00 0.00 H new ATOM 559 N MET A 822 -14.022 -9.309 3.837 1.00 0.00 N ATOM 560 CA MET A 822 -13.612 -8.126 3.083 1.00 0.00 C ATOM 561 C MET A 822 -12.931 -7.118 4.000 1.00 0.00 C ATOM 562 O MET A 822 -11.924 -6.509 3.636 1.00 0.00 O ATOM 563 CB MET A 822 -14.811 -7.471 2.397 1.00 0.00 C ATOM 564 CG MET A 822 -15.359 -8.271 1.230 1.00 0.00 C ATOM 565 SD MET A 822 -16.772 -7.472 0.444 1.00 0.00 S ATOM 566 CE MET A 822 -16.078 -5.864 0.055 1.00 0.00 C ATOM 0 H MET A 822 -15.031 -9.443 3.900 1.00 0.00 H new ATOM 0 HA MET A 822 -12.905 -8.447 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.604 -7.326 3.131 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.520 -6.482 2.043 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.571 -8.415 0.491 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.654 -9.261 1.579 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.653 -5.405 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.118 -5.227 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.041 -5.982 -0.261 1.00 0.00 H new ATOM 576 N VAL A 823 -13.482 -6.955 5.196 1.00 0.00 N ATOM 577 CA VAL A 823 -12.908 -6.055 6.187 1.00 0.00 C ATOM 578 C VAL A 823 -11.567 -6.600 6.681 1.00 0.00 C ATOM 579 O VAL A 823 -10.644 -5.837 6.969 1.00 0.00 O ATOM 580 CB VAL A 823 -13.868 -5.844 7.379 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.272 -4.884 8.401 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.214 -5.328 6.888 1.00 0.00 C ATOM 0 H VAL A 823 -14.328 -7.436 5.503 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.748 -5.088 5.709 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.017 -6.807 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -13.970 -4.755 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.333 -5.290 8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.086 -3.919 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -15.881 -5.184 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.073 -4.378 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.653 -6.052 6.202 1.00 0.00 H new ATOM 592 N ARG A 824 -11.470 -7.926 6.751 1.00 0.00 N ATOM 593 CA ARG A 824 -10.223 -8.599 7.109 1.00 0.00 C ATOM 594 C ARG A 824 -9.085 -8.120 6.211 1.00 0.00 C ATOM 595 O ARG A 824 -8.009 -7.759 6.686 1.00 0.00 O ATOM 596 CB ARG A 824 -10.380 -10.116 6.960 1.00 0.00 C ATOM 597 CG ARG A 824 -9.150 -10.908 7.374 1.00 0.00 C ATOM 598 CD ARG A 824 -9.200 -12.337 6.851 1.00 0.00 C ATOM 599 NE ARG A 824 -8.927 -12.408 5.414 1.00 0.00 N ATOM 600 CZ ARG A 824 -9.058 -13.512 4.675 1.00 0.00 C ATOM 601 NH1 ARG A 824 -9.543 -14.628 5.206 1.00 0.00 N ATOM 602 NH2 ARG A 824 -8.719 -13.485 3.396 1.00 0.00 N ATOM 0 H ARG A 824 -12.247 -8.560 6.563 1.00 0.00 H new ATOM 0 HA ARG A 824 -9.989 -8.359 8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.229 -10.444 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.615 -10.346 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.255 -10.413 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.074 -10.921 8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.472 -12.945 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -10.183 -12.763 7.054 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.616 -11.557 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.820 -14.647 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.639 -15.466 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -8.361 -12.625 2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.816 -14.324 2.825 1.00 0.00 H new ATOM 616 N GLN A 825 -9.354 -8.107 4.910 1.00 0.00 N ATOM 617 CA GLN A 825 -8.370 -7.694 3.915 1.00 0.00 C ATOM 618 C GLN A 825 -7.907 -6.260 4.153 1.00 0.00 C ATOM 619 O GLN A 825 -6.716 -5.958 4.062 1.00 0.00 O ATOM 620 CB GLN A 825 -8.960 -7.817 2.513 1.00 0.00 C ATOM 621 CG GLN A 825 -9.369 -9.229 2.136 1.00 0.00 C ATOM 622 CD GLN A 825 -8.210 -10.200 2.188 1.00 0.00 C ATOM 623 OE1 GLN A 825 -7.958 -10.829 3.214 1.00 0.00 O ATOM 624 NE2 GLN A 825 -7.491 -10.317 1.087 1.00 0.00 N ATOM 0 H GLN A 825 -10.255 -8.381 4.517 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.506 -8.352 4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.831 -7.166 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -8.229 -7.456 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -10.154 -9.569 2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.792 -9.226 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.736 -9.776 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -6.691 -10.949 1.065 1.00 0.00 H new ATOM 633 N ALA A 826 -8.855 -5.381 4.460 1.00 0.00 N ATOM 634 CA ALA A 826 -8.548 -3.979 4.716 1.00 0.00 C ATOM 635 C ALA A 826 -7.641 -3.830 5.935 1.00 0.00 C ATOM 636 O ALA A 826 -6.744 -2.984 5.957 1.00 0.00 O ATOM 637 CB ALA A 826 -9.829 -3.181 4.899 1.00 0.00 C ATOM 0 H ALA A 826 -9.845 -5.616 4.538 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.014 -3.584 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.583 -2.136 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.434 -3.252 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.390 -3.581 5.744 1.00 0.00 H new ATOM 643 N ARG A 827 -7.870 -4.672 6.940 1.00 0.00 N ATOM 644 CA ARG A 827 -7.047 -4.676 8.145 1.00 0.00 C ATOM 645 C ARG A 827 -5.612 -5.074 7.810 1.00 0.00 C ATOM 646 O ARG A 827 -4.654 -4.532 8.366 1.00 0.00 O ATOM 647 CB ARG A 827 -7.619 -5.641 9.185 1.00 0.00 C ATOM 648 CG ARG A 827 -9.017 -5.280 9.658 1.00 0.00 C ATOM 649 CD ARG A 827 -9.557 -6.325 10.618 1.00 0.00 C ATOM 650 NE ARG A 827 -10.923 -6.033 11.043 1.00 0.00 N ATOM 651 CZ ARG A 827 -11.816 -6.966 11.370 1.00 0.00 C ATOM 652 NH1 ARG A 827 -11.494 -8.254 11.304 1.00 0.00 N ATOM 653 NH2 ARG A 827 -13.033 -6.606 11.759 1.00 0.00 N ATOM 0 H ARG A 827 -8.621 -5.362 6.943 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.050 -3.668 8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.637 -6.646 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.951 -5.669 10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -8.998 -4.307 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.683 -5.192 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -9.529 -7.304 10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -8.910 -6.380 11.494 1.00 0.00 H new ATOM 0 HE ARG A 827 -11.211 -5.056 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -10.560 -8.531 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -12.181 -8.965 11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -13.282 -5.618 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -13.719 -7.317 12.010 1.00 0.00 H new ATOM 667 N ILE A 828 -5.470 -6.026 6.895 1.00 0.00 N ATOM 668 CA ILE A 828 -4.157 -6.469 6.441 1.00 0.00 C ATOM 669 C ILE A 828 -3.428 -5.325 5.746 1.00 0.00 C ATOM 670 O ILE A 828 -2.255 -5.059 6.019 1.00 0.00 O ATOM 671 CB ILE A 828 -4.269 -7.666 5.468 1.00 0.00 C ATOM 672 CG1 ILE A 828 -5.042 -8.815 6.122 1.00 0.00 C ATOM 673 CG2 ILE A 828 -2.884 -8.135 5.039 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.302 -9.980 5.188 1.00 0.00 C ATOM 0 H ILE A 828 -6.252 -6.508 6.451 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.596 -6.787 7.319 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.814 -7.341 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.483 -9.172 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -5.995 -8.437 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -2.981 -8.978 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.362 -7.319 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.316 -8.444 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.853 -10.756 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.888 -9.638 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.352 -10.385 4.838 1.00 0.00 H new ATOM 686 N LEU A 829 -4.142 -4.639 4.861 1.00 0.00 N ATOM 687 CA LEU A 829 -3.581 -3.514 4.125 1.00 0.00 C ATOM 688 C LEU A 829 -3.152 -2.401 5.067 1.00 0.00 C ATOM 689 O LEU A 829 -2.072 -1.835 4.912 1.00 0.00 O ATOM 690 CB LEU A 829 -4.590 -2.978 3.111 1.00 0.00 C ATOM 691 CG LEU A 829 -4.946 -3.946 1.987 1.00 0.00 C ATOM 692 CD1 LEU A 829 -5.933 -3.300 1.033 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.694 -4.384 1.246 1.00 0.00 C ATOM 0 H LEU A 829 -5.115 -4.844 4.636 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.700 -3.873 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.504 -2.705 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.191 -2.064 2.671 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.412 -4.830 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.179 -4.000 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -6.841 -3.033 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.489 -2.402 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -3.966 -5.074 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.200 -3.511 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.016 -4.881 1.940 1.00 0.00 H new ATOM 705 N ALA A 830 -3.997 -2.097 6.046 1.00 0.00 N ATOM 706 CA ALA A 830 -3.694 -1.062 7.027 1.00 0.00 C ATOM 707 C ALA A 830 -2.400 -1.382 7.769 1.00 0.00 C ATOM 708 O ALA A 830 -1.556 -0.508 7.976 1.00 0.00 O ATOM 709 CB ALA A 830 -4.847 -0.909 8.009 1.00 0.00 C ATOM 0 H ALA A 830 -4.899 -2.554 6.181 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.559 -0.118 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.606 -0.133 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.751 -0.631 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.010 -1.853 8.528 1.00 0.00 H new ATOM 715 N GLN A 831 -2.240 -2.645 8.142 1.00 0.00 N ATOM 716 CA GLN A 831 -1.052 -3.092 8.851 1.00 0.00 C ATOM 717 C GLN A 831 0.182 -3.010 7.953 1.00 0.00 C ATOM 718 O GLN A 831 1.210 -2.453 8.342 1.00 0.00 O ATOM 719 CB GLN A 831 -1.248 -4.525 9.347 1.00 0.00 C ATOM 720 CG GLN A 831 -0.081 -5.059 10.156 1.00 0.00 C ATOM 721 CD GLN A 831 -0.308 -6.477 10.634 1.00 0.00 C ATOM 722 OE1 GLN A 831 0.053 -7.440 9.958 1.00 0.00 O ATOM 723 NE2 GLN A 831 -0.910 -6.614 11.801 1.00 0.00 N ATOM 0 H GLN A 831 -2.924 -3.381 7.963 1.00 0.00 H new ATOM 0 HA GLN A 831 -0.895 -2.435 9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.150 -4.568 9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.412 -5.177 8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.824 -5.024 9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.087 -4.411 11.017 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.193 -5.788 12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.092 -7.545 12.175 1.00 0.00 H new ATOM 732 N ALA A 832 0.065 -3.554 6.748 1.00 0.00 N ATOM 733 CA ALA A 832 1.174 -3.579 5.801 1.00 0.00 C ATOM 734 C ALA A 832 1.586 -2.173 5.383 1.00 0.00 C ATOM 735 O ALA A 832 2.775 -1.857 5.322 1.00 0.00 O ATOM 736 CB ALA A 832 0.800 -4.407 4.585 1.00 0.00 C ATOM 0 H ALA A 832 -0.792 -3.986 6.402 1.00 0.00 H new ATOM 0 HA ALA A 832 2.030 -4.038 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.634 -4.420 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.571 -5.426 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.074 -3.970 4.102 1.00 0.00 H new ATOM 742 N THR A 833 0.600 -1.326 5.116 1.00 0.00 N ATOM 743 CA THR A 833 0.860 0.044 4.702 1.00 0.00 C ATOM 744 C THR A 833 1.599 0.812 5.794 1.00 0.00 C ATOM 745 O THR A 833 2.434 1.672 5.511 1.00 0.00 O ATOM 746 CB THR A 833 -0.452 0.778 4.344 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.103 0.117 3.253 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.191 2.231 3.977 1.00 0.00 C ATOM 0 H THR A 833 -0.389 -1.566 5.179 1.00 0.00 H new ATOM 0 HA THR A 833 1.489 0.002 3.813 1.00 0.00 H new ATOM 0 HB THR A 833 -1.097 0.757 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.579 -0.673 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.134 2.719 3.730 1.00 0.00 H new ATOM 0 HG22 THR A 833 0.272 2.742 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.476 2.275 3.116 1.00 0.00 H new ATOM 756 N SER A 834 1.314 0.464 7.041 1.00 0.00 N ATOM 757 CA SER A 834 1.924 1.147 8.180 1.00 0.00 C ATOM 758 C SER A 834 3.443 0.994 8.163 1.00 0.00 C ATOM 759 O SER A 834 4.172 1.935 8.479 1.00 0.00 O ATOM 760 CB SER A 834 1.350 0.619 9.495 1.00 0.00 C ATOM 761 OG SER A 834 -0.029 0.941 9.615 1.00 0.00 O ATOM 0 H SER A 834 0.667 -0.284 7.292 1.00 0.00 H new ATOM 0 HA SER A 834 1.689 2.208 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 834 1.480 -0.462 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.901 1.045 10.333 1.00 0.00 H new ATOM 0 HG SER A 834 -0.508 0.632 8.818 1.00 0.00 H new ATOM 767 N ASP A 835 3.918 -0.181 7.768 1.00 0.00 N ATOM 768 CA ASP A 835 5.353 -0.428 7.698 1.00 0.00 C ATOM 769 C ASP A 835 5.995 0.464 6.643 1.00 0.00 C ATOM 770 O ASP A 835 7.076 1.017 6.853 1.00 0.00 O ATOM 771 CB ASP A 835 5.641 -1.897 7.388 1.00 0.00 C ATOM 772 CG ASP A 835 7.127 -2.177 7.291 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.791 -2.266 8.345 1.00 0.00 O ATOM 774 OD2 ASP A 835 7.641 -2.307 6.163 1.00 0.00 O ATOM 0 H ASP A 835 3.336 -0.972 7.493 1.00 0.00 H new ATOM 0 HA ASP A 835 5.783 -0.191 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 835 5.204 -2.524 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 835 5.159 -2.171 6.450 1.00 0.00 H new ATOM 779 N LEU A 836 5.305 0.617 5.518 1.00 0.00 N ATOM 780 CA LEU A 836 5.777 1.474 4.439 1.00 0.00 C ATOM 781 C LEU A 836 5.834 2.927 4.872 1.00 0.00 C ATOM 782 O LEU A 836 6.816 3.608 4.614 1.00 0.00 O ATOM 783 CB LEU A 836 4.881 1.349 3.211 1.00 0.00 C ATOM 784 CG LEU A 836 5.089 0.082 2.394 1.00 0.00 C ATOM 785 CD1 LEU A 836 4.016 -0.043 1.327 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.468 0.085 1.754 1.00 0.00 C ATOM 0 H LEU A 836 4.414 0.157 5.330 1.00 0.00 H new ATOM 0 HA LEU A 836 6.784 1.143 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.840 1.390 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 836 5.050 2.212 2.566 1.00 0.00 H new ATOM 0 HG LEU A 836 5.016 -0.775 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.179 -0.954 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.035 -0.084 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 836 4.062 0.819 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.602 -0.828 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 836 6.563 0.950 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.230 0.135 2.532 1.00 0.00 H new ATOM 798 N VAL A 837 4.784 3.394 5.535 1.00 0.00 N ATOM 799 CA VAL A 837 4.726 4.778 5.989 1.00 0.00 C ATOM 800 C VAL A 837 5.939 5.113 6.858 1.00 0.00 C ATOM 801 O VAL A 837 6.534 6.180 6.721 1.00 0.00 O ATOM 802 CB VAL A 837 3.419 5.070 6.760 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.393 6.501 7.276 1.00 0.00 C ATOM 804 CG2 VAL A 837 2.211 4.807 5.869 1.00 0.00 C ATOM 0 H VAL A 837 3.963 2.837 5.770 1.00 0.00 H new ATOM 0 HA VAL A 837 4.741 5.413 5.103 1.00 0.00 H new ATOM 0 HB VAL A 837 3.377 4.401 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.462 6.677 7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.236 6.661 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 837 3.463 7.192 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.297 5.017 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.259 5.452 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 837 2.212 3.764 5.553 1.00 0.00 H new ATOM 814 N ASN A 838 6.324 4.182 7.723 1.00 0.00 N ATOM 815 CA ASN A 838 7.504 4.365 8.566 1.00 0.00 C ATOM 816 C ASN A 838 8.783 4.327 7.739 1.00 0.00 C ATOM 817 O ASN A 838 9.665 5.172 7.902 1.00 0.00 O ATOM 818 CB ASN A 838 7.567 3.294 9.659 1.00 0.00 C ATOM 819 CG ASN A 838 6.589 3.550 10.788 1.00 0.00 C ATOM 820 OD1 ASN A 838 6.913 4.235 11.758 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.390 3.007 10.674 1.00 0.00 N ATOM 0 H ASN A 838 5.840 3.295 7.860 1.00 0.00 H new ATOM 0 HA ASN A 838 7.419 5.346 9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 838 7.359 2.319 9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.579 3.252 10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.694 3.149 11.406 1.00 0.00 H new ATOM 0 HD22 ASN A 838 5.160 2.446 9.854 1.00 0.00 H new ATOM 828 N ALA A 839 8.874 3.348 6.845 1.00 0.00 N ATOM 829 CA ALA A 839 10.060 3.170 6.015 1.00 0.00 C ATOM 830 C ALA A 839 10.258 4.354 5.073 1.00 0.00 C ATOM 831 O ALA A 839 11.328 4.956 5.043 1.00 0.00 O ATOM 832 CB ALA A 839 9.957 1.873 5.226 1.00 0.00 C ATOM 0 H ALA A 839 8.137 2.663 6.676 1.00 0.00 H new ATOM 0 HA ALA A 839 10.929 3.117 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.848 1.750 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.874 1.033 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 839 9.075 1.905 4.586 1.00 0.00 H new ATOM 838 N ILE A 840 9.210 4.687 4.326 1.00 0.00 N ATOM 839 CA ILE A 840 9.255 5.787 3.365 1.00 0.00 C ATOM 840 C ILE A 840 9.649 7.108 4.039 1.00 0.00 C ATOM 841 O ILE A 840 10.450 7.873 3.500 1.00 0.00 O ATOM 842 CB ILE A 840 7.895 5.950 2.648 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.552 4.681 1.859 1.00 0.00 C ATOM 844 CG2 ILE A 840 7.917 7.154 1.722 1.00 0.00 C ATOM 845 CD1 ILE A 840 6.187 4.721 1.204 1.00 0.00 C ATOM 0 H ILE A 840 8.311 4.207 4.368 1.00 0.00 H new ATOM 0 HA ILE A 840 10.017 5.538 2.627 1.00 0.00 H new ATOM 0 HB ILE A 840 7.127 6.111 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.309 4.526 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.598 3.823 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 840 6.950 7.250 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.120 8.055 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.697 7.022 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 840 6.015 3.790 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.420 4.844 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.142 5.558 0.507 1.00 0.00 H new ATOM 857 N LYS A 841 9.095 7.367 5.223 1.00 0.00 N ATOM 858 CA LYS A 841 9.447 8.569 5.978 1.00 0.00 C ATOM 859 C LYS A 841 10.930 8.581 6.321 1.00 0.00 C ATOM 860 O LYS A 841 11.592 9.616 6.230 1.00 0.00 O ATOM 861 CB LYS A 841 8.635 8.663 7.269 1.00 0.00 C ATOM 862 CG LYS A 841 7.214 9.164 7.079 1.00 0.00 C ATOM 863 CD LYS A 841 6.473 9.203 8.406 1.00 0.00 C ATOM 864 CE LYS A 841 5.058 9.729 8.253 1.00 0.00 C ATOM 865 NZ LYS A 841 4.356 9.812 9.563 1.00 0.00 N ATOM 0 H LYS A 841 8.407 6.767 5.677 1.00 0.00 H new ATOM 0 HA LYS A 841 9.217 9.427 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 841 8.601 7.678 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 841 9.152 9.327 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 841 7.231 10.160 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 841 6.685 8.515 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 841 6.443 8.201 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 841 7.020 9.833 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 841 5.085 10.716 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.499 9.078 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.392 10.175 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 4.308 8.866 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 4.876 10.453 10.196 1.00 0.00 H new ATOM 879 N ALA A 842 11.444 7.422 6.708 1.00 0.00 N ATOM 880 CA ALA A 842 12.840 7.290 7.091 1.00 0.00 C ATOM 881 C ALA A 842 13.755 7.411 5.878 1.00 0.00 C ATOM 882 O ALA A 842 14.855 7.960 5.970 1.00 0.00 O ATOM 883 CB ALA A 842 13.060 5.966 7.802 1.00 0.00 C ATOM 0 H ALA A 842 10.910 6.555 6.765 1.00 0.00 H new ATOM 0 HA ALA A 842 13.089 8.101 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 842 14.109 5.875 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 842 12.438 5.925 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.792 5.146 7.136 1.00 0.00 H new ATOM 889 N ASP A 843 13.295 6.897 4.742 1.00 0.00 N ATOM 890 CA ASP A 843 14.049 6.993 3.495 1.00 0.00 C ATOM 891 C ASP A 843 14.210 8.458 3.111 1.00 0.00 C ATOM 892 O ASP A 843 15.282 8.896 2.700 1.00 0.00 O ATOM 893 CB ASP A 843 13.327 6.239 2.375 1.00 0.00 C ATOM 894 CG ASP A 843 14.262 5.761 1.276 1.00 0.00 C ATOM 895 OD1 ASP A 843 14.805 6.603 0.530 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.449 4.529 1.158 1.00 0.00 O ATOM 0 H ASP A 843 12.403 6.409 4.658 1.00 0.00 H new ATOM 0 HA ASP A 843 15.031 6.543 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 843 12.807 5.380 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.567 6.888 1.940 1.00 0.00 H new ATOM 901 N ALA A 844 13.132 9.217 3.300 1.00 0.00 N ATOM 902 CA ALA A 844 13.118 10.644 2.992 1.00 0.00 C ATOM 903 C ALA A 844 14.093 11.417 3.872 1.00 0.00 C ATOM 904 O ALA A 844 14.517 12.520 3.525 1.00 0.00 O ATOM 905 CB ALA A 844 11.713 11.202 3.150 1.00 0.00 C ATOM 0 H ALA A 844 12.250 8.862 3.669 1.00 0.00 H new ATOM 0 HA ALA A 844 13.437 10.764 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 844 11.716 12.267 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.037 10.684 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.377 11.056 4.176 1.00 0.00 H new ATOM 911 N GLU A 845 14.425 10.845 5.022 1.00 0.00 N ATOM 912 CA GLU A 845 15.371 11.466 5.940 1.00 0.00 C ATOM 913 C GLU A 845 16.808 11.211 5.499 1.00 0.00 C ATOM 914 O GLU A 845 17.703 11.997 5.804 1.00 0.00 O ATOM 915 CB GLU A 845 15.182 10.934 7.363 1.00 0.00 C ATOM 916 CG GLU A 845 13.825 11.244 7.971 1.00 0.00 C ATOM 917 CD GLU A 845 13.718 10.766 9.405 1.00 0.00 C ATOM 918 OE1 GLU A 845 13.349 9.595 9.622 1.00 0.00 O ATOM 919 OE2 GLU A 845 14.017 11.555 10.325 1.00 0.00 O ATOM 0 H GLU A 845 14.053 9.951 5.342 1.00 0.00 H new ATOM 0 HA GLU A 845 15.177 12.539 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 845 15.326 9.854 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 845 15.958 11.355 8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 845 13.649 12.319 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 845 13.045 10.773 7.373 1.00 0.00 H new ATOM 926 N GLY A 846 17.026 10.120 4.774 1.00 0.00 N ATOM 927 CA GLY A 846 18.380 9.720 4.439 1.00 0.00 C ATOM 928 C GLY A 846 18.630 9.624 2.946 1.00 0.00 C ATOM 929 O GLY A 846 19.512 8.879 2.508 1.00 0.00 O ATOM 0 H GLY A 846 16.294 9.508 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 846 19.079 10.436 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 846 18.589 8.753 4.897 1.00 0.00 H new ATOM 933 N GLU A 847 17.867 10.368 2.162 1.00 0.00 N ATOM 934 CA GLU A 847 18.056 10.387 0.718 1.00 0.00 C ATOM 935 C GLU A 847 19.319 11.154 0.325 1.00 0.00 C ATOM 936 O GLU A 847 20.046 11.671 1.178 1.00 0.00 O ATOM 937 CB GLU A 847 16.830 10.984 0.006 1.00 0.00 C ATOM 938 CG GLU A 847 16.204 12.196 0.685 1.00 0.00 C ATOM 939 CD GLU A 847 17.209 13.252 1.110 1.00 0.00 C ATOM 940 OE1 GLU A 847 17.806 13.893 0.221 1.00 0.00 O ATOM 941 OE2 GLU A 847 17.400 13.453 2.326 1.00 0.00 O ATOM 0 H GLU A 847 17.112 10.966 2.499 1.00 0.00 H new ATOM 0 HA GLU A 847 18.175 9.352 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 847 17.121 11.266 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 847 16.070 10.208 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 847 15.482 12.648 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 847 15.650 11.862 1.562 1.00 0.00 H new ATOM 948 N SER A 848 19.573 11.207 -0.970 1.00 0.00 N ATOM 949 CA SER A 848 20.666 11.995 -1.509 1.00 0.00 C ATOM 950 C SER A 848 20.133 12.883 -2.629 1.00 0.00 C ATOM 951 O SER A 848 20.877 13.327 -3.507 1.00 0.00 O ATOM 952 CB SER A 848 21.768 11.073 -2.036 1.00 0.00 C ATOM 953 OG SER A 848 22.165 10.138 -1.042 1.00 0.00 O ATOM 0 H SER A 848 19.030 10.708 -1.675 1.00 0.00 H new ATOM 0 HA SER A 848 21.091 12.620 -0.724 1.00 0.00 H new ATOM 0 HB2 SER A 848 21.412 10.542 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.628 11.667 -2.346 1.00 0.00 H new ATOM 0 HG SER A 848 22.869 9.558 -1.401 1.00 0.00 H new ATOM 959 N ASP A 849 18.835 13.143 -2.575 1.00 0.00 N ATOM 960 CA ASP A 849 18.151 13.894 -3.613 1.00 0.00 C ATOM 961 C ASP A 849 16.993 14.683 -3.014 1.00 0.00 C ATOM 962 O ASP A 849 16.176 14.134 -2.273 1.00 0.00 O ATOM 963 CB ASP A 849 17.638 12.940 -4.694 1.00 0.00 C ATOM 964 CG ASP A 849 16.983 13.665 -5.847 1.00 0.00 C ATOM 965 OD1 ASP A 849 17.710 14.162 -6.728 1.00 0.00 O ATOM 966 OD2 ASP A 849 15.736 13.743 -5.876 1.00 0.00 O ATOM 0 H ASP A 849 18.229 12.840 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 849 18.853 14.595 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 849 18.469 12.343 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 849 16.922 12.247 -4.252 1.00 0.00 H new ATOM 971 N LEU A 850 16.922 15.964 -3.345 1.00 0.00 N ATOM 972 CA LEU A 850 15.927 16.851 -2.762 1.00 0.00 C ATOM 973 C LEU A 850 14.526 16.463 -3.217 1.00 0.00 C ATOM 974 O LEU A 850 13.583 16.453 -2.420 1.00 0.00 O ATOM 975 CB LEU A 850 16.211 18.302 -3.150 1.00 0.00 C ATOM 976 CG LEU A 850 16.245 19.300 -1.987 1.00 0.00 C ATOM 977 CD1 LEU A 850 14.918 19.313 -1.243 1.00 0.00 C ATOM 978 CD2 LEU A 850 17.385 18.965 -1.038 1.00 0.00 C ATOM 0 H LEU A 850 17.544 16.413 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 850 15.984 16.754 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 850 17.169 18.341 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 850 15.451 18.625 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 850 16.412 20.296 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.968 20.029 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.120 19.600 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.714 18.319 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 850 17.397 19.682 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 850 17.244 17.960 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 850 18.332 19.013 -1.576 1.00 0.00 H new ATOM 990 N GLU A 851 14.395 16.133 -4.496 1.00 0.00 N ATOM 991 CA GLU A 851 13.111 15.726 -5.041 1.00 0.00 C ATOM 992 C GLU A 851 12.664 14.430 -4.388 1.00 0.00 C ATOM 993 O GLU A 851 11.491 14.260 -4.077 1.00 0.00 O ATOM 994 CB GLU A 851 13.184 15.540 -6.555 1.00 0.00 C ATOM 995 CG GLU A 851 13.641 16.777 -7.305 1.00 0.00 C ATOM 996 CD GLU A 851 13.483 16.627 -8.801 1.00 0.00 C ATOM 997 OE1 GLU A 851 14.257 15.865 -9.414 1.00 0.00 O ATOM 998 OE2 GLU A 851 12.576 17.267 -9.372 1.00 0.00 O ATOM 0 H GLU A 851 15.160 16.140 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 851 12.389 16.514 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 851 13.866 14.719 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 851 12.201 15.246 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 851 13.067 17.639 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.686 16.977 -7.070 1.00 0.00 H new ATOM 1005 N ASN A 852 13.617 13.531 -4.171 1.00 0.00 N ATOM 1006 CA ASN A 852 13.347 12.259 -3.509 1.00 0.00 C ATOM 1007 C ASN A 852 12.764 12.497 -2.123 1.00 0.00 C ATOM 1008 O ASN A 852 11.792 11.854 -1.730 1.00 0.00 O ATOM 1009 CB ASN A 852 14.627 11.431 -3.376 1.00 0.00 C ATOM 1010 CG ASN A 852 14.344 10.000 -2.965 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.313 9.431 -3.320 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.260 9.410 -2.219 1.00 0.00 N ATOM 0 H ASN A 852 14.591 13.661 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 852 12.629 11.712 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.161 11.435 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.283 11.895 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 852 15.126 8.446 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 852 16.101 9.919 -1.947 1.00 0.00 H new ATOM 1019 N SER A 853 13.352 13.444 -1.401 1.00 0.00 N ATOM 1020 CA SER A 853 12.922 13.747 -0.046 1.00 0.00 C ATOM 1021 C SER A 853 11.468 14.222 -0.050 1.00 0.00 C ATOM 1022 O SER A 853 10.663 13.811 0.787 1.00 0.00 O ATOM 1023 CB SER A 853 13.843 14.808 0.572 1.00 0.00 C ATOM 1024 OG SER A 853 13.727 14.841 1.986 1.00 0.00 O ATOM 0 H SER A 853 14.129 14.015 -1.734 1.00 0.00 H new ATOM 0 HA SER A 853 12.984 12.843 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 853 14.877 14.599 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.596 15.788 0.163 1.00 0.00 H new ATOM 0 HG SER A 853 14.045 13.993 2.360 1.00 0.00 H new ATOM 1030 N ARG A 854 11.134 15.070 -1.021 1.00 0.00 N ATOM 1031 CA ARG A 854 9.768 15.558 -1.183 1.00 0.00 C ATOM 1032 C ARG A 854 8.855 14.423 -1.633 1.00 0.00 C ATOM 1033 O ARG A 854 7.763 14.231 -1.096 1.00 0.00 O ATOM 1034 CB ARG A 854 9.720 16.679 -2.225 1.00 0.00 C ATOM 1035 CG ARG A 854 10.655 17.841 -1.942 1.00 0.00 C ATOM 1036 CD ARG A 854 10.627 18.850 -3.079 1.00 0.00 C ATOM 1037 NE ARG A 854 11.578 19.944 -2.878 1.00 0.00 N ATOM 1038 CZ ARG A 854 12.477 20.321 -3.788 1.00 0.00 C ATOM 1039 NH1 ARG A 854 12.549 19.689 -4.953 1.00 0.00 N ATOM 1040 NH2 ARG A 854 13.299 21.331 -3.540 1.00 0.00 N ATOM 0 H ARG A 854 11.794 15.434 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 854 9.428 15.943 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 854 9.965 16.261 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 854 8.699 17.057 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.365 18.328 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 854 11.671 17.470 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 854 10.854 18.343 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 854 9.621 19.259 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 854 11.552 20.447 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 854 11.916 18.914 -5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 854 13.237 19.978 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 854 13.246 21.825 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 854 13.984 21.614 -4.240 1.00 0.00 H new ATOM 1054 N LYS A 855 9.333 13.678 -2.621 1.00 0.00 N ATOM 1055 CA LYS A 855 8.589 12.590 -3.242 1.00 0.00 C ATOM 1056 C LYS A 855 8.152 11.560 -2.209 1.00 0.00 C ATOM 1057 O LYS A 855 6.982 11.188 -2.149 1.00 0.00 O ATOM 1058 CB LYS A 855 9.473 11.921 -4.294 1.00 0.00 C ATOM 1059 CG LYS A 855 8.740 10.990 -5.247 1.00 0.00 C ATOM 1060 CD LYS A 855 9.725 10.229 -6.127 1.00 0.00 C ATOM 1061 CE LYS A 855 10.701 11.168 -6.824 1.00 0.00 C ATOM 1062 NZ LYS A 855 11.795 10.431 -7.508 1.00 0.00 N ATOM 0 H LYS A 855 10.262 13.815 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 855 7.693 13.001 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 855 9.970 12.697 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.254 11.356 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.134 10.285 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.057 11.566 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 855 10.279 9.514 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 855 9.177 9.654 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 855 10.162 11.774 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 855 11.129 11.854 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 12.435 11.109 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 12.326 9.872 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 11.390 9.795 -8.225 1.00 0.00 H new ATOM 1076 N LEU A 856 9.097 11.112 -1.396 1.00 0.00 N ATOM 1077 CA LEU A 856 8.829 10.098 -0.387 1.00 0.00 C ATOM 1078 C LEU A 856 7.807 10.588 0.637 1.00 0.00 C ATOM 1079 O LEU A 856 6.818 9.910 0.906 1.00 0.00 O ATOM 1080 CB LEU A 856 10.132 9.691 0.302 1.00 0.00 C ATOM 1081 CG LEU A 856 11.113 8.917 -0.582 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.501 8.910 0.037 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.625 7.490 -0.800 1.00 0.00 C ATOM 0 H LEU A 856 10.063 11.438 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 856 8.403 9.226 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.628 10.589 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 856 9.891 9.081 1.173 1.00 0.00 H new ATOM 0 HG LEU A 856 11.168 9.417 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.184 8.355 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 856 12.856 9.935 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.460 8.435 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.335 6.955 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.540 6.984 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.650 7.509 -1.287 1.00 0.00 H new ATOM 1095 N LEU A 857 8.027 11.780 1.181 1.00 0.00 N ATOM 1096 CA LEU A 857 7.116 12.334 2.181 1.00 0.00 C ATOM 1097 C LEU A 857 5.728 12.574 1.591 1.00 0.00 C ATOM 1098 O LEU A 857 4.719 12.492 2.297 1.00 0.00 O ATOM 1099 CB LEU A 857 7.679 13.627 2.772 1.00 0.00 C ATOM 1100 CG LEU A 857 8.910 13.446 3.663 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.404 14.788 4.177 1.00 0.00 C ATOM 1102 CD2 LEU A 857 8.593 12.514 4.826 1.00 0.00 C ATOM 0 H LEU A 857 8.820 12.378 0.950 1.00 0.00 H new ATOM 0 HA LEU A 857 7.019 11.602 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 857 7.936 14.301 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 857 6.896 14.115 3.353 1.00 0.00 H new ATOM 0 HG LEU A 857 9.702 12.997 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.280 14.636 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.671 15.425 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.616 15.267 4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.479 12.396 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 857 7.784 12.937 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.289 11.541 4.440 1.00 0.00 H new ATOM 1114 N SER A 858 5.681 12.864 0.297 1.00 0.00 N ATOM 1115 CA SER A 858 4.416 13.023 -0.403 1.00 0.00 C ATOM 1116 C SER A 858 3.748 11.666 -0.608 1.00 0.00 C ATOM 1117 O SER A 858 2.555 11.503 -0.346 1.00 0.00 O ATOM 1118 CB SER A 858 4.637 13.709 -1.753 1.00 0.00 C ATOM 1119 OG SER A 858 5.196 15.002 -1.585 1.00 0.00 O ATOM 0 H SER A 858 6.506 12.994 -0.288 1.00 0.00 H new ATOM 0 HA SER A 858 3.761 13.648 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.299 13.101 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 858 3.689 13.786 -2.285 1.00 0.00 H new ATOM 0 HG SER A 858 6.150 14.921 -1.376 1.00 0.00 H new ATOM 1125 N ALA A 859 4.538 10.694 -1.057 1.00 0.00 N ATOM 1126 CA ALA A 859 4.036 9.353 -1.330 1.00 0.00 C ATOM 1127 C ALA A 859 3.484 8.703 -0.069 1.00 0.00 C ATOM 1128 O ALA A 859 2.438 8.062 -0.109 1.00 0.00 O ATOM 1129 CB ALA A 859 5.134 8.489 -1.932 1.00 0.00 C ATOM 0 H ALA A 859 5.534 10.813 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 859 3.221 9.440 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 859 4.744 7.491 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.478 8.936 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 859 5.968 8.421 -1.233 1.00 0.00 H new ATOM 1135 N ALA A 860 4.184 8.885 1.046 1.00 0.00 N ATOM 1136 CA ALA A 860 3.752 8.329 2.325 1.00 0.00 C ATOM 1137 C ALA A 860 2.390 8.887 2.727 1.00 0.00 C ATOM 1138 O ALA A 860 1.525 8.154 3.206 1.00 0.00 O ATOM 1139 CB ALA A 860 4.783 8.616 3.405 1.00 0.00 C ATOM 0 H ALA A 860 5.055 9.414 1.090 1.00 0.00 H new ATOM 0 HA ALA A 860 3.658 7.249 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.445 8.195 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.736 8.166 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 860 4.908 9.694 3.512 1.00 0.00 H new ATOM 1145 N LYS A 861 2.205 10.186 2.510 1.00 0.00 N ATOM 1146 CA LYS A 861 0.947 10.846 2.835 1.00 0.00 C ATOM 1147 C LYS A 861 -0.173 10.306 1.952 1.00 0.00 C ATOM 1148 O LYS A 861 -1.237 9.927 2.439 1.00 0.00 O ATOM 1149 CB LYS A 861 1.068 12.356 2.628 1.00 0.00 C ATOM 1150 CG LYS A 861 -0.114 13.144 3.172 1.00 0.00 C ATOM 1151 CD LYS A 861 -0.394 14.382 2.334 1.00 0.00 C ATOM 1152 CE LYS A 861 -1.065 14.018 1.016 1.00 0.00 C ATOM 1153 NZ LYS A 861 -2.450 13.507 1.221 1.00 0.00 N ATOM 0 H LYS A 861 2.912 10.802 2.110 1.00 0.00 H new ATOM 0 HA LYS A 861 0.715 10.644 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 861 1.980 12.708 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.170 12.561 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 861 -0.999 12.508 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 861 0.087 13.439 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 861 -1.033 15.065 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 861 0.540 14.909 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -1.093 14.894 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -0.471 13.262 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -2.975 13.558 0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -2.411 12.519 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 -2.931 14.087 1.938 1.00 0.00 H new ATOM 1167 N ILE A 862 0.092 10.275 0.648 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.875 9.788 -0.329 1.00 0.00 C ATOM 1169 C ILE A 862 -1.230 8.329 -0.060 1.00 0.00 C ATOM 1170 O ILE A 862 -2.402 7.956 -0.075 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.330 9.930 -1.771 1.00 0.00 C ATOM 1172 CG1 ILE A 862 -0.129 11.409 -2.116 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.267 9.265 -2.774 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.481 11.639 -3.484 1.00 0.00 C ATOM 0 H ILE A 862 0.976 10.584 0.243 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.773 10.397 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 862 0.634 9.425 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -1.092 11.918 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.512 11.865 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.863 9.378 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.360 8.205 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.249 9.736 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 862 0.593 12.709 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.459 11.160 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 862 -0.169 11.214 -4.248 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.211 7.522 0.206 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.402 6.105 0.467 1.00 0.00 C ATOM 1188 C LEU A 863 -1.291 5.880 1.681 1.00 0.00 C ATOM 1189 O LEU A 863 -2.345 5.256 1.571 1.00 0.00 O ATOM 1190 CB LEU A 863 0.946 5.415 0.687 1.00 0.00 C ATOM 1191 CG LEU A 863 0.860 4.001 1.253 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.140 3.171 0.464 1.00 0.00 C ATOM 1193 CD2 LEU A 863 2.231 3.347 1.253 1.00 0.00 C ATOM 0 H LEU A 863 0.761 7.829 0.246 1.00 0.00 H new ATOM 0 HA LEU A 863 -0.892 5.674 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.478 5.378 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.544 6.026 1.364 1.00 0.00 H new ATOM 0 HG LEU A 863 0.511 4.058 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.188 2.165 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.124 3.636 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 863 0.175 3.116 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 863 2.153 2.339 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.611 3.298 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.914 3.934 1.867 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.874 6.414 2.820 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.587 6.204 4.073 1.00 0.00 C ATOM 1207 C ALA A 864 -3.035 6.658 3.960 1.00 0.00 C ATOM 1208 O ALA A 864 -3.917 6.164 4.668 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.883 6.936 5.201 1.00 0.00 C ATOM 0 H ALA A 864 -0.042 6.998 2.903 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.589 5.137 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.423 6.773 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.135 6.558 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.854 8.003 4.980 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.276 7.590 3.054 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.609 8.117 2.841 1.00 0.00 C ATOM 1217 C ASP A 865 -5.405 7.255 1.884 1.00 0.00 C ATOM 1218 O ASP A 865 -6.577 6.968 2.130 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.532 9.556 2.333 1.00 0.00 C ATOM 1220 CG ASP A 865 -5.871 10.109 1.893 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.741 10.315 2.765 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -6.068 10.321 0.676 1.00 0.00 O ATOM 0 H ASP A 865 -2.560 7.998 2.452 1.00 0.00 H new ATOM 0 HA ASP A 865 -5.130 8.107 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -4.126 10.191 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -3.835 9.602 1.496 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.771 6.832 0.804 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.404 5.929 -0.136 1.00 0.00 C ATOM 1229 C ALA A 866 -5.844 4.661 0.582 1.00 0.00 C ATOM 1230 O ALA A 866 -6.886 4.083 0.269 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.457 5.610 -1.280 1.00 0.00 C ATOM 0 H ALA A 866 -3.818 7.101 0.558 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.287 6.410 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -4.946 4.931 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.188 6.531 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.556 5.139 -0.886 1.00 0.00 H new ATOM 1237 N THR A 867 -5.049 4.252 1.568 1.00 0.00 N ATOM 1238 CA THR A 867 -5.382 3.103 2.384 1.00 0.00 C ATOM 1239 C THR A 867 -6.625 3.374 3.221 1.00 0.00 C ATOM 1240 O THR A 867 -7.602 2.632 3.147 1.00 0.00 O ATOM 1241 CB THR A 867 -4.223 2.718 3.322 1.00 0.00 C ATOM 1242 OG1 THR A 867 -2.989 2.715 2.599 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.457 1.343 3.932 1.00 0.00 C ATOM 0 H THR A 867 -4.169 4.705 1.816 1.00 0.00 H new ATOM 0 HA THR A 867 -5.573 2.275 1.701 1.00 0.00 H new ATOM 0 HB THR A 867 -4.174 3.454 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.726 3.637 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.626 1.091 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.385 1.352 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.528 0.600 3.138 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.591 4.458 3.990 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.692 4.809 4.880 1.00 0.00 C ATOM 1253 C ALA A 868 -9.000 4.936 4.113 1.00 0.00 C ATOM 1254 O ALA A 868 -10.047 4.473 4.564 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.385 6.104 5.615 1.00 0.00 C ATOM 0 H ALA A 868 -5.808 5.112 4.014 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.804 4.006 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.216 6.353 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.477 5.981 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.242 6.907 4.892 1.00 0.00 H new ATOM 1261 N LYS A 869 -8.925 5.545 2.936 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.101 5.734 2.102 1.00 0.00 C ATOM 1263 C LYS A 869 -10.685 4.403 1.653 1.00 0.00 C ATOM 1264 O LYS A 869 -11.904 4.228 1.652 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.772 6.589 0.881 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.423 8.027 1.223 1.00 0.00 C ATOM 1267 CD LYS A 869 -9.287 8.877 -0.029 1.00 0.00 C ATOM 1268 CE LYS A 869 -8.123 8.429 -0.896 1.00 0.00 C ATOM 1269 NZ LYS A 869 -8.043 9.224 -2.148 1.00 0.00 N ATOM 0 H LYS A 869 -8.062 5.916 2.539 1.00 0.00 H new ATOM 0 HA LYS A 869 -10.845 6.251 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -8.936 6.138 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.625 6.582 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -10.195 8.447 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -8.490 8.053 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -10.210 8.824 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -9.148 9.920 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -7.192 8.530 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -8.235 7.373 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -7.238 8.894 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -8.923 9.107 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.912 10.229 -1.913 1.00 0.00 H new ATOM 1283 N MET A 870 -9.825 3.458 1.281 1.00 0.00 N ATOM 1284 CA MET A 870 -10.306 2.178 0.778 1.00 0.00 C ATOM 1285 C MET A 870 -10.707 1.262 1.925 1.00 0.00 C ATOM 1286 O MET A 870 -11.549 0.389 1.750 1.00 0.00 O ATOM 1287 CB MET A 870 -9.274 1.480 -0.113 1.00 0.00 C ATOM 1288 CG MET A 870 -8.202 0.713 0.640 1.00 0.00 C ATOM 1289 SD MET A 870 -7.579 -0.687 -0.297 1.00 0.00 S ATOM 1290 CE MET A 870 -9.019 -1.741 -0.251 1.00 0.00 C ATOM 0 H MET A 870 -8.810 3.552 1.318 1.00 0.00 H new ATOM 0 HA MET A 870 -11.182 2.390 0.166 1.00 0.00 H new ATOM 0 HB2 MET A 870 -9.795 0.791 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 870 -8.792 2.228 -0.742 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.377 1.385 0.877 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.609 0.361 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 870 -9.168 -2.196 -1.230 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.874 -2.523 0.494 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.895 -1.148 0.011 1.00 0.00 H new ATOM 1300 N VAL A 871 -10.103 1.454 3.092 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.468 0.669 4.266 1.00 0.00 C ATOM 1302 C VAL A 871 -11.902 0.979 4.671 1.00 0.00 C ATOM 1303 O VAL A 871 -12.717 0.072 4.843 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.512 0.923 5.456 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -10.037 0.277 6.730 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -8.121 0.393 5.140 1.00 0.00 C ATOM 0 H VAL A 871 -9.365 2.140 3.251 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.382 -0.384 3.998 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.456 2.000 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.345 0.472 7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -11.014 0.694 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -10.129 -0.799 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.460 0.579 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.175 -0.679 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.731 0.899 4.257 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.216 2.262 4.789 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.572 2.689 5.109 1.00 0.00 C ATOM 1318 C GLU A 872 -14.539 2.288 4.001 1.00 0.00 C ATOM 1319 O GLU A 872 -15.700 1.961 4.257 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.621 4.201 5.328 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.854 4.654 6.555 1.00 0.00 C ATOM 1322 CD GLU A 872 -13.327 3.965 7.816 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.480 4.197 8.232 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -12.548 3.180 8.397 1.00 0.00 O ATOM 0 H GLU A 872 -11.550 3.025 4.668 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.875 2.192 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.215 4.702 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.661 4.514 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.792 4.454 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.962 5.732 6.671 1.00 0.00 H new ATOM 1331 N ALA A 873 -14.051 2.309 2.767 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.845 1.884 1.627 1.00 0.00 C ATOM 1333 C ALA A 873 -15.126 0.388 1.703 1.00 0.00 C ATOM 1334 O ALA A 873 -16.254 -0.048 1.497 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.139 2.233 0.327 1.00 0.00 C ATOM 0 H ALA A 873 -13.107 2.617 2.533 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.798 2.413 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -14.748 1.907 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -13.990 3.311 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.172 1.731 0.292 1.00 0.00 H new ATOM 1341 N ALA A 874 -14.089 -0.386 2.015 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.213 -1.832 2.159 1.00 0.00 C ATOM 1343 C ALA A 874 -15.160 -2.182 3.294 1.00 0.00 C ATOM 1344 O ALA A 874 -16.045 -3.012 3.131 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.848 -2.462 2.398 1.00 0.00 C ATOM 0 H ALA A 874 -13.146 -0.031 2.174 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.625 -2.231 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.959 -3.541 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.194 -2.245 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.412 -2.051 3.309 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.969 -1.540 4.442 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.833 -1.759 5.597 1.00 0.00 C ATOM 1353 C LYS A 875 -17.286 -1.460 5.244 1.00 0.00 C ATOM 1354 O LYS A 875 -18.188 -2.227 5.583 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.387 -0.884 6.771 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.017 -1.251 7.324 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.526 -0.258 8.375 1.00 0.00 C ATOM 1358 CE LYS A 875 -14.235 -0.417 9.717 1.00 0.00 C ATOM 1359 NZ LYS A 875 -15.667 -0.016 9.670 1.00 0.00 N ATOM 0 H LYS A 875 -14.222 -0.863 4.598 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.754 -2.806 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.372 0.158 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.124 -0.961 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.061 -2.248 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.298 -1.294 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -12.453 -0.389 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -13.677 0.757 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -14.165 -1.456 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -13.720 0.183 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -15.935 0.421 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -15.811 0.668 8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -16.257 -0.856 9.503 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.500 -0.352 4.545 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.837 0.026 4.141 1.00 0.00 C ATOM 1375 C GLY A 876 -19.417 -0.904 3.093 1.00 0.00 C ATOM 1376 O GLY A 876 -20.586 -1.275 3.175 1.00 0.00 O ATOM 0 H GLY A 876 -16.767 0.293 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.488 0.033 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -18.820 1.043 3.749 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.600 -1.284 2.117 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.044 -2.148 1.029 1.00 0.00 C ATOM 1382 C ALA A 877 -19.279 -3.565 1.519 1.00 0.00 C ATOM 1383 O ALA A 877 -20.099 -4.300 0.974 1.00 0.00 O ATOM 1384 CB ALA A 877 -18.021 -2.148 -0.094 1.00 0.00 C ATOM 0 H ALA A 877 -17.621 -1.005 2.057 1.00 0.00 H new ATOM 0 HA ALA A 877 -19.988 -1.756 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.365 -2.797 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -17.897 -1.134 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.066 -2.514 0.284 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.539 -3.949 2.541 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.684 -5.261 3.129 1.00 0.00 C ATOM 1392 C ALA A 878 -19.927 -5.322 4.001 1.00 0.00 C ATOM 1393 O ALA A 878 -20.841 -6.100 3.736 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.451 -5.608 3.941 1.00 0.00 C ATOM 0 H ALA A 878 -17.828 -3.365 2.982 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.793 -5.991 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.571 -6.599 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.575 -5.602 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.320 -4.873 4.735 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.960 -4.486 5.032 1.00 0.00 N ATOM 1401 CA ALA A 879 -21.064 -4.491 5.982 1.00 0.00 C ATOM 1402 C ALA A 879 -22.383 -4.164 5.288 1.00 0.00 C ATOM 1403 O ALA A 879 -23.442 -4.663 5.683 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.787 -3.524 7.120 1.00 0.00 C ATOM 0 H ALA A 879 -19.235 -3.797 5.231 1.00 0.00 H new ATOM 0 HA ALA A 879 -21.153 -5.493 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.621 -3.539 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.874 -3.821 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.667 -2.517 6.721 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.321 -3.312 4.274 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.464 -3.071 3.402 1.00 0.00 C ATOM 1412 C HIS A 880 -23.225 -3.725 2.047 1.00 0.00 C ATOM 1413 O HIS A 880 -22.760 -3.076 1.108 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.735 -1.573 3.242 1.00 0.00 C ATOM 1415 CG HIS A 880 -24.287 -0.940 4.477 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.719 0.155 5.092 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -25.366 -1.268 5.223 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -24.426 0.470 6.159 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -25.433 -0.378 6.264 1.00 0.00 N ATOM 0 H HIS A 880 -21.488 -2.774 4.034 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.348 -3.515 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.808 -1.070 2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.435 -1.423 2.420 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -26.050 -2.082 5.034 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -24.217 1.286 6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -26.142 -0.372 6.997 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.539 -5.028 1.934 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.210 -5.827 0.752 1.00 0.00 C ATOM 1429 C PRO A 881 -24.024 -5.415 -0.474 1.00 0.00 C ATOM 1430 O PRO A 881 -23.532 -5.431 -1.604 1.00 0.00 O ATOM 1431 CB PRO A 881 -23.574 -7.263 1.162 1.00 0.00 C ATOM 1432 CG PRO A 881 -23.791 -7.217 2.637 1.00 0.00 C ATOM 1433 CD PRO A 881 -24.251 -5.824 2.940 1.00 0.00 C ATOM 0 HA PRO A 881 -22.166 -5.702 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -24.471 -7.603 0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -22.775 -7.958 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -24.536 -7.950 2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.872 -7.451 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -25.332 -5.724 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.991 -5.522 3.955 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.283 -5.061 -0.238 1.00 0.00 N ATOM 1442 CA ASP A 882 -26.213 -4.739 -1.316 1.00 0.00 C ATOM 1443 C ASP A 882 -25.963 -3.346 -1.875 1.00 0.00 C ATOM 1444 O ASP A 882 -26.237 -3.083 -3.045 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.660 -4.843 -0.830 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.995 -6.208 -0.272 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -28.045 -7.183 -1.053 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.225 -6.312 0.951 1.00 0.00 O ATOM 0 H ASP A 882 -25.685 -4.989 0.697 1.00 0.00 H new ATOM 0 HA ASP A 882 -26.046 -5.464 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -27.836 -4.089 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -28.333 -4.619 -1.657 1.00 0.00 H new ATOM 1453 N SER A 883 -25.454 -2.460 -1.033 1.00 0.00 N ATOM 1454 CA SER A 883 -25.236 -1.072 -1.414 1.00 0.00 C ATOM 1455 C SER A 883 -24.166 -0.956 -2.497 1.00 0.00 C ATOM 1456 O SER A 883 -22.969 -1.060 -2.218 1.00 0.00 O ATOM 1457 CB SER A 883 -24.835 -0.259 -0.183 1.00 0.00 C ATOM 1458 OG SER A 883 -25.814 -0.369 0.840 1.00 0.00 O ATOM 0 H SER A 883 -25.182 -2.679 -0.075 1.00 0.00 H new ATOM 0 HA SER A 883 -26.166 -0.677 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.873 -0.609 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 883 -24.708 0.788 -0.459 1.00 0.00 H new ATOM 0 HG SER A 883 -25.619 0.277 1.550 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.600 -0.736 -3.735 1.00 0.00 N ATOM 1465 CA GLU A 884 -23.679 -0.643 -4.859 1.00 0.00 C ATOM 1466 C GLU A 884 -22.871 0.648 -4.808 1.00 0.00 C ATOM 1467 O GLU A 884 -21.771 0.714 -5.349 1.00 0.00 O ATOM 1468 CB GLU A 884 -24.424 -0.747 -6.190 1.00 0.00 C ATOM 1469 CG GLU A 884 -25.476 0.325 -6.398 1.00 0.00 C ATOM 1470 CD GLU A 884 -26.065 0.275 -7.786 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -26.992 -0.537 -8.010 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -25.617 1.047 -8.656 1.00 0.00 O ATOM 0 H GLU A 884 -25.582 -0.619 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 884 -22.987 -1.482 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -23.701 -0.693 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.901 -1.725 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -26.270 0.201 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -25.033 1.306 -6.227 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.412 1.674 -4.154 1.00 0.00 N ATOM 1480 CA GLU A 885 -22.672 2.913 -3.947 1.00 0.00 C ATOM 1481 C GLU A 885 -21.429 2.633 -3.116 1.00 0.00 C ATOM 1482 O GLU A 885 -20.360 3.190 -3.359 1.00 0.00 O ATOM 1483 CB GLU A 885 -23.549 3.958 -3.250 1.00 0.00 C ATOM 1484 CG GLU A 885 -22.813 5.249 -2.928 1.00 0.00 C ATOM 1485 CD GLU A 885 -23.699 6.267 -2.242 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -23.874 6.177 -1.007 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -24.217 7.168 -2.935 1.00 0.00 O ATOM 0 H GLU A 885 -24.353 1.671 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.375 3.310 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -24.404 4.186 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -23.942 3.533 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -21.959 5.026 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -22.419 5.678 -3.849 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.578 1.746 -2.144 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.463 1.338 -1.310 1.00 0.00 C ATOM 1496 C GLN A 886 -19.478 0.509 -2.119 1.00 0.00 C ATOM 1497 O GLN A 886 -18.264 0.640 -1.959 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.964 0.552 -0.100 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.733 1.409 0.890 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.873 2.503 1.492 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -21.358 3.591 1.810 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -19.591 2.218 1.661 1.00 0.00 N ATOM 0 H GLN A 886 -22.464 1.295 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 886 -19.949 2.229 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.605 -0.261 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -20.114 0.096 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.591 1.858 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -22.124 0.777 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -19.231 1.305 1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.964 2.912 2.068 1.00 0.00 H new ATOM 1511 N GLN A 887 -20.010 -0.325 -3.004 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.181 -1.133 -3.889 1.00 0.00 C ATOM 1513 C GLN A 887 -18.403 -0.232 -4.842 1.00 0.00 C ATOM 1514 O GLN A 887 -17.224 -0.464 -5.112 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.042 -2.122 -4.685 1.00 0.00 C ATOM 1516 CG GLN A 887 -20.987 -2.947 -3.822 1.00 0.00 C ATOM 1517 CD GLN A 887 -20.282 -3.656 -2.683 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -19.115 -4.026 -2.790 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.989 -3.843 -1.582 1.00 0.00 N ATOM 0 H GLN A 887 -21.013 -0.459 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.478 -1.701 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.626 -1.570 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.388 -2.796 -5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.760 -2.296 -3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -21.490 -3.685 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.955 -3.520 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -20.568 -4.310 -0.779 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.074 0.798 -5.349 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.435 1.792 -6.203 1.00 0.00 C ATOM 1530 C GLN A 888 -17.301 2.475 -5.449 1.00 0.00 C ATOM 1531 O GLN A 888 -16.172 2.540 -5.933 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.455 2.840 -6.664 1.00 0.00 C ATOM 1533 CG GLN A 888 -18.874 3.877 -7.613 1.00 0.00 C ATOM 1534 CD GLN A 888 -19.855 4.985 -7.954 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -21.070 4.776 -7.974 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -19.335 6.169 -8.236 1.00 0.00 N ATOM 0 H GLN A 888 -20.066 0.966 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.031 1.286 -7.080 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.286 2.335 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -19.863 3.347 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -17.983 4.314 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.558 3.384 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -18.324 6.302 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -19.945 6.949 -8.481 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.619 2.967 -4.254 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.637 3.618 -3.390 1.00 0.00 C ATOM 1547 C ARG A 889 -15.414 2.738 -3.186 1.00 0.00 C ATOM 1548 O ARG A 889 -14.279 3.203 -3.294 1.00 0.00 O ATOM 1549 CB ARG A 889 -17.258 3.949 -2.031 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.167 5.162 -2.056 1.00 0.00 C ATOM 1551 CD ARG A 889 -18.792 5.416 -0.695 1.00 0.00 C ATOM 1552 NE ARG A 889 -19.245 6.795 -0.563 1.00 0.00 N ATOM 1553 CZ ARG A 889 -20.043 7.237 0.405 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -20.575 6.391 1.281 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -20.321 8.531 0.477 1.00 0.00 N ATOM 0 H ARG A 889 -18.559 2.926 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.325 4.540 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.826 3.087 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.460 4.119 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -17.598 6.038 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.953 5.014 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -19.634 4.740 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.066 5.194 0.087 1.00 0.00 H new ATOM 0 HE ARG A 889 -18.928 7.468 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -20.372 5.394 1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -21.186 6.739 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -19.924 9.177 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -20.932 8.881 1.215 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.656 1.467 -2.893 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.579 0.513 -2.688 1.00 0.00 C ATOM 1571 C LEU A 890 -13.709 0.400 -3.930 1.00 0.00 C ATOM 1572 O LEU A 890 -12.499 0.582 -3.855 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.142 -0.860 -2.320 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.103 -1.978 -2.214 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.033 -1.624 -1.191 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.779 -3.286 -1.847 1.00 0.00 C ATOM 0 H LEU A 890 -16.592 1.074 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 890 -13.963 0.875 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.664 -0.778 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.884 -1.144 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.619 -2.094 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.305 -2.433 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.531 -0.705 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.496 -1.481 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.030 -4.075 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.286 -3.177 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.507 -3.547 -2.615 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.333 0.121 -5.066 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.601 -0.079 -6.311 1.00 0.00 C ATOM 1590 C ARG A 891 -12.762 1.149 -6.662 1.00 0.00 C ATOM 1591 O ARG A 891 -11.588 1.030 -7.002 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.566 -0.423 -7.448 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.316 -1.730 -7.221 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.189 -2.100 -8.408 1.00 0.00 C ATOM 1595 NE ARG A 891 -17.336 -1.204 -8.561 1.00 0.00 N ATOM 1596 CZ ARG A 891 -17.591 -0.508 -9.668 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -16.735 -0.538 -10.684 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -18.696 0.216 -9.759 1.00 0.00 N ATOM 0 H ARG A 891 -15.345 0.028 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 891 -12.918 -0.917 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.286 0.387 -7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.009 -0.489 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -14.600 -2.531 -7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -15.936 -1.642 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -15.589 -2.076 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -16.545 -3.123 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 891 -17.978 -1.107 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -15.883 -1.094 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -16.930 -0.005 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -19.354 0.242 -8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -18.889 0.748 -10.608 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.361 2.326 -6.535 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.670 3.578 -6.833 1.00 0.00 C ATOM 1614 C GLU A 892 -11.475 3.794 -5.902 1.00 0.00 C ATOM 1615 O GLU A 892 -10.367 4.103 -6.348 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.641 4.753 -6.704 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.786 4.718 -7.703 1.00 0.00 C ATOM 1618 CD GLU A 892 -14.347 5.048 -9.113 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -14.255 6.252 -9.436 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -14.115 4.112 -9.908 1.00 0.00 O ATOM 0 H GLU A 892 -14.326 2.442 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 892 -12.297 3.519 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -14.053 4.762 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -13.089 5.684 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -15.241 3.728 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -15.555 5.426 -7.392 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.701 3.623 -4.605 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.677 3.904 -3.607 1.00 0.00 C ATOM 1629 C ALA A 893 -9.593 2.829 -3.576 1.00 0.00 C ATOM 1630 O ALA A 893 -8.405 3.142 -3.465 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.311 4.055 -2.235 1.00 0.00 C ATOM 0 H ALA A 893 -12.585 3.291 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.195 4.841 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.536 4.265 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.027 4.877 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -11.826 3.132 -1.968 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.005 1.571 -3.688 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.083 0.443 -3.580 1.00 0.00 C ATOM 1639 C ALA A 894 -8.051 0.453 -4.697 1.00 0.00 C ATOM 1640 O ALA A 894 -6.861 0.254 -4.455 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.843 -0.875 -3.586 1.00 0.00 C ATOM 0 H ALA A 894 -10.975 1.305 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.555 0.545 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.138 -1.702 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.532 -0.901 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.404 -0.967 -4.516 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.503 0.694 -5.920 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.603 0.710 -7.064 1.00 0.00 C ATOM 1649 C GLU A 895 -6.619 1.869 -6.951 1.00 0.00 C ATOM 1650 O GLU A 895 -5.467 1.759 -7.364 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.392 0.786 -8.373 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.365 -0.368 -8.546 1.00 0.00 C ATOM 1653 CD GLU A 895 -10.001 -0.404 -9.918 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -10.835 0.477 -10.207 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -9.673 -1.312 -10.710 1.00 0.00 O ATOM 0 H GLU A 895 -9.480 0.880 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.034 -0.220 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -8.942 1.726 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.695 0.796 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -8.841 -1.307 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -10.147 -0.293 -7.791 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.072 2.966 -6.362 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.191 4.093 -6.125 1.00 0.00 C ATOM 1664 C GLY A 896 -5.149 3.784 -5.067 1.00 0.00 C ATOM 1665 O GLY A 896 -4.019 4.262 -5.139 1.00 0.00 O ATOM 0 H GLY A 896 -8.032 3.097 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -5.693 4.367 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -6.780 4.955 -5.813 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.534 2.974 -4.084 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.601 2.495 -3.069 1.00 0.00 C ATOM 1671 C LEU A 897 -3.575 1.579 -3.725 1.00 0.00 C ATOM 1672 O LEU A 897 -2.378 1.646 -3.429 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.369 1.770 -1.948 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.535 1.182 -0.792 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.006 -0.200 -1.141 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.386 2.108 -0.424 1.00 0.00 C ATOM 0 H LEU A 897 -6.489 2.635 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.075 3.337 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.089 2.470 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -5.941 0.959 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.194 1.087 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.422 -0.588 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.842 -0.870 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.374 -0.135 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -2.813 1.670 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -2.737 2.244 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -3.783 3.074 -0.112 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.056 0.733 -4.627 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.194 -0.154 -5.392 1.00 0.00 C ATOM 1690 C ARG A 898 -2.156 0.668 -6.152 1.00 0.00 C ATOM 1691 O ARG A 898 -0.968 0.343 -6.149 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.043 -0.981 -6.360 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.321 -2.171 -6.968 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.250 -2.958 -7.878 1.00 0.00 C ATOM 1695 NE ARG A 898 -3.662 -4.217 -8.324 1.00 0.00 N ATOM 1696 CZ ARG A 898 -4.233 -5.030 -9.212 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -5.400 -4.708 -9.764 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -3.638 -6.166 -9.541 1.00 0.00 N ATOM 0 H ARG A 898 -5.048 0.644 -4.847 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.672 -0.833 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -4.928 -1.339 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.391 -0.333 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.456 -1.827 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -2.946 -2.819 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -5.182 -3.163 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -4.502 -2.351 -8.747 1.00 0.00 H new ATOM 0 HE ARG A 898 -2.761 -4.491 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -5.862 -3.835 -9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -5.833 -5.334 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -2.746 -6.416 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -4.072 -6.791 -10.220 1.00 0.00 H new ATOM 1712 N MET A 899 -2.618 1.748 -6.774 1.00 0.00 N ATOM 1713 CA MET A 899 -1.737 2.687 -7.462 1.00 0.00 C ATOM 1714 C MET A 899 -0.757 3.339 -6.493 1.00 0.00 C ATOM 1715 O MET A 899 0.448 3.320 -6.725 1.00 0.00 O ATOM 1716 CB MET A 899 -2.552 3.775 -8.162 1.00 0.00 C ATOM 1717 CG MET A 899 -2.834 3.498 -9.628 1.00 0.00 C ATOM 1718 SD MET A 899 -3.679 1.932 -9.903 1.00 0.00 S ATOM 1719 CE MET A 899 -3.989 2.044 -11.660 1.00 0.00 C ATOM 0 H MET A 899 -3.606 1.996 -6.816 1.00 0.00 H new ATOM 0 HA MET A 899 -1.173 2.121 -8.203 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.500 3.896 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 899 -2.019 4.722 -8.079 1.00 0.00 H new ATOM 0 HG2 MET A 899 -3.441 4.307 -10.034 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.893 3.498 -10.179 1.00 0.00 H new ATOM 0 HE1 MET A 899 -4.510 1.147 -11.995 1.00 0.00 H new ATOM 0 HE2 MET A 899 -4.605 2.920 -11.866 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.042 2.133 -12.192 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.283 3.909 -5.411 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.463 4.620 -4.431 1.00 0.00 C ATOM 1731 C ALA A 900 0.652 3.734 -3.890 1.00 0.00 C ATOM 1732 O ALA A 900 1.809 4.149 -3.808 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.329 5.132 -3.291 1.00 0.00 C ATOM 0 H ALA A 900 -2.279 3.892 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.001 5.468 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -0.706 5.659 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.083 5.813 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -1.820 4.291 -2.801 1.00 0.00 H new ATOM 1739 N THR A 901 0.295 2.510 -3.535 1.00 0.00 N ATOM 1740 CA THR A 901 1.251 1.550 -3.012 1.00 0.00 C ATOM 1741 C THR A 901 2.282 1.172 -4.072 1.00 0.00 C ATOM 1742 O THR A 901 3.489 1.220 -3.827 1.00 0.00 O ATOM 1743 CB THR A 901 0.531 0.279 -2.529 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.502 0.625 -1.600 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.508 -0.681 -1.876 1.00 0.00 C ATOM 0 H THR A 901 -0.660 2.157 -3.601 1.00 0.00 H new ATOM 0 HA THR A 901 1.763 2.018 -2.171 1.00 0.00 H new ATOM 0 HB THR A 901 0.089 -0.214 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.286 0.952 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 901 0.975 -1.572 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.275 -0.965 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 901 1.976 -0.197 -1.019 1.00 0.00 H new ATOM 1753 N ASN A 902 1.793 0.813 -5.254 1.00 0.00 N ATOM 1754 CA ASN A 902 2.650 0.399 -6.355 1.00 0.00 C ATOM 1755 C ASN A 902 3.610 1.531 -6.736 1.00 0.00 C ATOM 1756 O ASN A 902 4.795 1.304 -6.986 1.00 0.00 O ATOM 1757 CB ASN A 902 1.794 0.006 -7.563 1.00 0.00 C ATOM 1758 CG ASN A 902 2.553 -0.801 -8.605 1.00 0.00 C ATOM 1759 OD1 ASN A 902 3.762 -0.645 -8.787 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.844 -1.671 -9.304 1.00 0.00 N ATOM 0 H ASN A 902 0.797 0.801 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 902 3.237 -0.464 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.937 -0.574 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 902 1.401 0.909 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.296 -2.239 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.845 -1.774 -9.127 1.00 0.00 H new ATOM 1767 N ALA A 903 3.085 2.753 -6.761 1.00 0.00 N ATOM 1768 CA ALA A 903 3.877 3.934 -7.088 1.00 0.00 C ATOM 1769 C ALA A 903 4.984 4.147 -6.064 1.00 0.00 C ATOM 1770 O ALA A 903 6.148 4.310 -6.428 1.00 0.00 O ATOM 1771 CB ALA A 903 2.989 5.166 -7.169 1.00 0.00 C ATOM 0 H ALA A 903 2.106 2.951 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 903 4.339 3.772 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.597 6.037 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 903 2.235 5.021 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 903 2.498 5.324 -6.209 1.00 0.00 H new ATOM 1777 N ALA A 904 4.614 4.133 -4.785 1.00 0.00 N ATOM 1778 CA ALA A 904 5.580 4.285 -3.702 1.00 0.00 C ATOM 1779 C ALA A 904 6.653 3.205 -3.776 1.00 0.00 C ATOM 1780 O ALA A 904 7.824 3.456 -3.483 1.00 0.00 O ATOM 1781 CB ALA A 904 4.878 4.238 -2.353 1.00 0.00 C ATOM 0 H ALA A 904 3.649 4.018 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 904 6.063 5.256 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.613 4.353 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 904 4.149 5.046 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 904 4.368 3.281 -2.241 1.00 0.00 H new ATOM 1787 N ALA A 905 6.240 2.011 -4.185 1.00 0.00 N ATOM 1788 CA ALA A 905 7.154 0.891 -4.363 1.00 0.00 C ATOM 1789 C ALA A 905 8.253 1.234 -5.362 1.00 0.00 C ATOM 1790 O ALA A 905 9.432 0.972 -5.122 1.00 0.00 O ATOM 1791 CB ALA A 905 6.389 -0.334 -4.833 1.00 0.00 C ATOM 0 H ALA A 905 5.267 1.793 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 905 7.622 0.677 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 905 7.080 -1.167 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.636 -0.600 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.901 -0.116 -5.783 1.00 0.00 H new ATOM 1797 N GLN A 906 7.856 1.836 -6.475 1.00 0.00 N ATOM 1798 CA GLN A 906 8.793 2.199 -7.530 1.00 0.00 C ATOM 1799 C GLN A 906 9.623 3.414 -7.122 1.00 0.00 C ATOM 1800 O GLN A 906 10.782 3.546 -7.510 1.00 0.00 O ATOM 1801 CB GLN A 906 8.043 2.502 -8.830 1.00 0.00 C ATOM 1802 CG GLN A 906 7.110 1.386 -9.280 1.00 0.00 C ATOM 1803 CD GLN A 906 7.828 0.073 -9.531 1.00 0.00 C ATOM 1804 OE1 GLN A 906 8.997 0.049 -9.916 1.00 0.00 O ATOM 1805 NE2 GLN A 906 7.128 -1.029 -9.308 1.00 0.00 N ATOM 0 H GLN A 906 6.886 2.084 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 906 9.462 1.354 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 906 7.463 3.416 -8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 906 8.769 2.696 -9.620 1.00 0.00 H new ATOM 0 HG2 GLN A 906 6.343 1.234 -8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 906 6.599 1.694 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 906 6.161 -0.963 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 906 7.556 -1.943 -9.455 1.00 0.00 H new ATOM 1814 N ASN A 907 9.021 4.298 -6.333 1.00 0.00 N ATOM 1815 CA ASN A 907 9.693 5.518 -5.887 1.00 0.00 C ATOM 1816 C ASN A 907 10.857 5.200 -4.963 1.00 0.00 C ATOM 1817 O ASN A 907 11.845 5.936 -4.929 1.00 0.00 O ATOM 1818 CB ASN A 907 8.713 6.454 -5.174 1.00 0.00 C ATOM 1819 CG ASN A 907 7.713 7.088 -6.122 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.007 7.313 -7.294 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.528 7.387 -5.616 1.00 0.00 N ATOM 0 H ASN A 907 8.067 4.194 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 907 10.079 6.018 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 907 8.176 5.895 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 907 9.272 7.239 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 907 5.817 7.821 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 907 6.325 7.183 -4.637 1.00 0.00 H new ATOM 1828 N ALA A 908 10.736 4.103 -4.222 1.00 0.00 N ATOM 1829 CA ALA A 908 11.781 3.671 -3.303 1.00 0.00 C ATOM 1830 C ALA A 908 13.114 3.508 -4.021 1.00 0.00 C ATOM 1831 O ALA A 908 13.209 2.791 -5.019 1.00 0.00 O ATOM 1832 CB ALA A 908 11.386 2.365 -2.635 1.00 0.00 C ATOM 0 H ALA A 908 9.918 3.494 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 908 11.898 4.442 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.175 2.053 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.459 2.506 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.240 1.597 -3.395 1.00 0.00 H new