USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot 83:sc= 1.31 USER MOD Set 1.2: A 867 THR OG1 : rot -100:sc= -1.93! USER MOD Set 2.1: A 816 MET CE :methyl -139:sc= -0.559 (180deg=-2.23) USER MOD Set 2.2: A 887 GLN : amide:sc= 0.0317 K(o=-0.53,f=-1.8) USER MOD Single : A 798 TYR OH : rot -50:sc= -0.766 USER MOD Single : A 800 GLN : amide:sc= 0.301 X(o=0.3,f=-0.11) USER MOD Single : A 802 THR OG1 : rot -74:sc= -0.713 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 809 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 811 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2!) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 77:sc= 1.21 USER MOD Single : A 822 MET CE :methyl 152:sc= -0.13 (180deg=-0.581) USER MOD Single : A 825 GLN : amide:sc= -1.19 K(o=-1.2,f=-1.8) USER MOD Single : A 831 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.13) USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 838 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.56) USER MOD Single : A 841 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0576) USER MOD Single : A 848 SER OG : rot 180:sc= 0 USER MOD Single : A 852 ASN : amide:sc= 0.378 K(o=0.38,f=-2.7!) USER MOD Single : A 853 SER OG : rot -89:sc= 1.12 USER MOD Single : A 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 74:sc= 0.916 USER MOD Single : A 861 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.13) USER MOD Single : A 869 LYS NZ :NH3+ 170:sc= -0.0087 (180deg=-0.158) USER MOD Single : A 870 MET CE :methyl 171:sc= 0 (180deg=-0.165) USER MOD Single : A 875 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.09) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 883 SER OG : rot -157:sc= -0.461 USER MOD Single : A 886 GLN : amide:sc= -2.56 K(o=-2.6,f=-7.1!) USER MOD Single : A 888 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.5) USER MOD Single : A 899 MET CE :methyl 158:sc= -0.199 (180deg=-0.876) USER MOD Single : A 901 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 902 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 906 GLN : amide:sc= 0.124 X(o=0.12,f=-0.1) USER MOD Single : A 907 ASN : amide:sc= 0.53 K(o=0.53,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 10.921 -0.938 -1.225 1.00 0.00 N ATOM 220 CA TYR A 798 9.479 -0.755 -1.399 1.00 0.00 C ATOM 221 C TYR A 798 8.789 -1.967 -2.019 1.00 0.00 C ATOM 222 O TYR A 798 7.677 -2.297 -1.622 1.00 0.00 O ATOM 223 CB TYR A 798 9.177 0.505 -2.205 1.00 0.00 C ATOM 224 CG TYR A 798 9.718 1.749 -1.549 1.00 0.00 C ATOM 225 CD1 TYR A 798 9.072 2.314 -0.464 1.00 0.00 C ATOM 226 CD2 TYR A 798 10.861 2.364 -2.026 1.00 0.00 C ATOM 227 CE1 TYR A 798 9.552 3.458 0.136 1.00 0.00 C ATOM 228 CE2 TYR A 798 11.349 3.507 -1.437 1.00 0.00 C ATOM 229 CZ TYR A 798 10.734 4.020 -0.326 1.00 0.00 C ATOM 230 OH TYR A 798 11.184 5.194 0.237 1.00 0.00 O ATOM 0 HA TYR A 798 9.067 -0.640 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 798 9.606 0.407 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.099 0.603 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 798 8.175 1.850 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 798 11.378 1.940 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 798 9.015 3.912 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 798 12.217 4.000 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 798 10.456 5.850 0.251 1.00 0.00 H new ATOM 240 N ASP A 799 9.455 -2.664 -2.935 1.00 0.00 N ATOM 241 CA ASP A 799 8.811 -3.742 -3.686 1.00 0.00 C ATOM 242 C ASP A 799 8.447 -4.909 -2.779 1.00 0.00 C ATOM 243 O ASP A 799 7.439 -5.582 -2.994 1.00 0.00 O ATOM 244 CB ASP A 799 9.718 -4.231 -4.819 1.00 0.00 C ATOM 245 CG ASP A 799 9.107 -5.384 -5.596 1.00 0.00 C ATOM 246 OD1 ASP A 799 8.120 -5.158 -6.328 1.00 0.00 O ATOM 247 OD2 ASP A 799 9.599 -6.525 -5.465 1.00 0.00 O ATOM 0 H ASP A 799 10.433 -2.505 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 799 7.893 -3.338 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 799 9.921 -3.405 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 799 10.676 -4.544 -4.404 1.00 0.00 H new ATOM 252 N GLN A 800 9.246 -5.125 -1.748 1.00 0.00 N ATOM 253 CA GLN A 800 8.996 -6.211 -0.815 1.00 0.00 C ATOM 254 C GLN A 800 7.741 -5.926 0.007 1.00 0.00 C ATOM 255 O GLN A 800 6.954 -6.828 0.294 1.00 0.00 O ATOM 256 CB GLN A 800 10.202 -6.413 0.109 1.00 0.00 C ATOM 257 CG GLN A 800 10.042 -7.568 1.082 1.00 0.00 C ATOM 258 CD GLN A 800 9.845 -8.898 0.381 1.00 0.00 C ATOM 259 OE1 GLN A 800 10.807 -9.608 0.086 1.00 0.00 O ATOM 260 NE2 GLN A 800 8.598 -9.242 0.105 1.00 0.00 N ATOM 0 H GLN A 800 10.071 -4.565 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 800 8.840 -7.127 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 800 11.090 -6.583 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 800 10.373 -5.496 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 800 10.924 -7.625 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 800 9.189 -7.375 1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 800 7.829 -8.625 0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 800 8.405 -10.124 -0.369 1.00 0.00 H new ATOM 269 N ALA A 801 7.559 -4.666 0.375 1.00 0.00 N ATOM 270 CA ALA A 801 6.407 -4.255 1.162 1.00 0.00 C ATOM 271 C ALA A 801 5.174 -4.080 0.284 1.00 0.00 C ATOM 272 O ALA A 801 4.075 -4.505 0.647 1.00 0.00 O ATOM 273 CB ALA A 801 6.713 -2.967 1.912 1.00 0.00 C ATOM 0 H ALA A 801 8.199 -3.907 0.139 1.00 0.00 H new ATOM 0 HA ALA A 801 6.194 -5.042 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 801 5.842 -2.671 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.561 -3.127 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 801 6.956 -2.179 1.199 1.00 0.00 H new ATOM 279 N THR A 802 5.359 -3.463 -0.878 1.00 0.00 N ATOM 280 CA THR A 802 4.249 -3.177 -1.772 1.00 0.00 C ATOM 281 C THR A 802 3.652 -4.457 -2.340 1.00 0.00 C ATOM 282 O THR A 802 2.440 -4.547 -2.508 1.00 0.00 O ATOM 283 CB THR A 802 4.671 -2.245 -2.924 1.00 0.00 C ATOM 284 OG1 THR A 802 5.793 -2.793 -3.625 1.00 0.00 O ATOM 285 CG2 THR A 802 5.019 -0.864 -2.394 1.00 0.00 C ATOM 0 H THR A 802 6.268 -3.152 -1.221 1.00 0.00 H new ATOM 0 HA THR A 802 3.490 -2.668 -1.177 1.00 0.00 H new ATOM 0 HB THR A 802 3.832 -2.155 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 802 6.602 -2.684 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 802 5.315 -0.220 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.150 -0.436 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 802 5.843 -0.943 -1.685 1.00 0.00 H new ATOM 293 N ASP A 803 4.504 -5.445 -2.613 1.00 0.00 N ATOM 294 CA ASP A 803 4.049 -6.733 -3.137 1.00 0.00 C ATOM 295 C ASP A 803 2.909 -7.297 -2.299 1.00 0.00 C ATOM 296 O ASP A 803 1.910 -7.783 -2.831 1.00 0.00 O ATOM 297 CB ASP A 803 5.201 -7.738 -3.172 1.00 0.00 C ATOM 298 CG ASP A 803 4.728 -9.143 -3.482 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.248 -9.374 -4.612 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.830 -10.020 -2.600 1.00 0.00 O ATOM 0 H ASP A 803 5.513 -5.378 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 803 3.687 -6.564 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 803 5.928 -7.428 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.714 -7.733 -2.210 1.00 0.00 H new ATOM 305 N THR A 804 3.061 -7.214 -0.986 1.00 0.00 N ATOM 306 CA THR A 804 2.028 -7.654 -0.071 1.00 0.00 C ATOM 307 C THR A 804 0.751 -6.833 -0.264 1.00 0.00 C ATOM 308 O THR A 804 -0.327 -7.387 -0.472 1.00 0.00 O ATOM 309 CB THR A 804 2.512 -7.546 1.389 1.00 0.00 C ATOM 310 OG1 THR A 804 3.725 -8.297 1.551 1.00 0.00 O ATOM 311 CG2 THR A 804 1.457 -8.061 2.361 1.00 0.00 C ATOM 0 H THR A 804 3.896 -6.843 -0.532 1.00 0.00 H new ATOM 0 HA THR A 804 1.807 -8.699 -0.288 1.00 0.00 H new ATOM 0 HB THR A 804 2.694 -6.494 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.032 -8.226 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.828 -7.972 3.382 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.545 -7.473 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.242 -9.107 2.144 1.00 0.00 H new ATOM 319 N ILE A 805 0.889 -5.512 -0.245 1.00 0.00 N ATOM 320 CA ILE A 805 -0.259 -4.617 -0.349 1.00 0.00 C ATOM 321 C ILE A 805 -0.974 -4.760 -1.692 1.00 0.00 C ATOM 322 O ILE A 805 -2.196 -4.910 -1.727 1.00 0.00 O ATOM 323 CB ILE A 805 0.153 -3.147 -0.142 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.773 -2.964 1.246 1.00 0.00 C ATOM 325 CG2 ILE A 805 -1.049 -2.226 -0.319 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.244 -1.554 1.517 1.00 0.00 C ATOM 0 H ILE A 805 1.787 -5.036 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 805 -0.949 -4.908 0.443 1.00 0.00 H new ATOM 0 HB ILE A 805 0.898 -2.883 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.040 -3.245 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.616 -3.646 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.740 -1.192 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.452 -2.342 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.816 -2.485 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.671 -1.499 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 805 2.001 -1.276 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.400 -0.868 1.445 1.00 0.00 H new ATOM 338 N LEU A 806 -0.215 -4.724 -2.790 1.00 0.00 N ATOM 339 CA LEU A 806 -0.789 -4.863 -4.129 1.00 0.00 C ATOM 340 C LEU A 806 -1.659 -6.115 -4.223 1.00 0.00 C ATOM 341 O LEU A 806 -2.772 -6.073 -4.744 1.00 0.00 O ATOM 342 CB LEU A 806 0.300 -4.927 -5.209 1.00 0.00 C ATOM 343 CG LEU A 806 0.746 -3.580 -5.799 1.00 0.00 C ATOM 344 CD1 LEU A 806 -0.452 -2.685 -6.053 1.00 0.00 C ATOM 345 CD2 LEU A 806 1.744 -2.883 -4.898 1.00 0.00 C ATOM 0 H LEU A 806 0.797 -4.600 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.403 -3.979 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.174 -5.423 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 806 -0.061 -5.556 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 806 1.239 -3.783 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 806 -0.115 -1.736 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -1.127 -3.172 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -0.976 -2.503 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.038 -1.934 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.289 -2.699 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.624 -3.513 -4.774 1.00 0.00 H new ATOM 357 N THR A 807 -1.149 -7.220 -3.690 1.00 0.00 N ATOM 358 CA THR A 807 -1.845 -8.492 -3.772 1.00 0.00 C ATOM 359 C THR A 807 -3.032 -8.548 -2.807 1.00 0.00 C ATOM 360 O THR A 807 -4.131 -8.946 -3.194 1.00 0.00 O ATOM 361 CB THR A 807 -0.892 -9.665 -3.482 1.00 0.00 C ATOM 362 OG1 THR A 807 0.346 -9.477 -4.190 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.524 -10.982 -3.904 1.00 0.00 C ATOM 0 H THR A 807 -0.257 -7.257 -3.198 1.00 0.00 H new ATOM 0 HA THR A 807 -2.221 -8.582 -4.791 1.00 0.00 H new ATOM 0 HB THR A 807 -0.697 -9.695 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.030 -9.148 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.836 -11.800 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.451 -11.134 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.739 -10.957 -4.972 1.00 0.00 H new ATOM 371 N VAL A 808 -2.816 -8.135 -1.557 1.00 0.00 N ATOM 372 CA VAL A 808 -3.883 -8.156 -0.558 1.00 0.00 C ATOM 373 C VAL A 808 -5.047 -7.270 -0.997 1.00 0.00 C ATOM 374 O VAL A 808 -6.204 -7.587 -0.736 1.00 0.00 O ATOM 375 CB VAL A 808 -3.385 -7.719 0.843 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.541 -7.600 1.826 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.355 -8.703 1.376 1.00 0.00 C ATOM 0 H VAL A 808 -1.921 -7.785 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.224 -9.188 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 808 -2.920 -6.739 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.160 -7.292 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.252 -6.858 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -5.039 -8.565 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -2.018 -8.379 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.804 -9.693 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.504 -8.743 0.696 1.00 0.00 H new ATOM 387 N THR A 809 -4.729 -6.180 -1.685 1.00 0.00 N ATOM 388 CA THR A 809 -5.743 -5.286 -2.232 1.00 0.00 C ATOM 389 C THR A 809 -6.745 -6.050 -3.097 1.00 0.00 C ATOM 390 O THR A 809 -7.959 -5.960 -2.894 1.00 0.00 O ATOM 391 CB THR A 809 -5.101 -4.177 -3.083 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.300 -3.325 -2.258 1.00 0.00 O ATOM 393 CG2 THR A 809 -6.168 -3.366 -3.797 1.00 0.00 C ATOM 0 H THR A 809 -3.770 -5.892 -1.878 1.00 0.00 H new ATOM 0 HA THR A 809 -6.263 -4.840 -1.385 1.00 0.00 H new ATOM 0 HB THR A 809 -4.463 -4.642 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.420 -3.734 -2.122 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.694 -2.587 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.747 -4.020 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.830 -2.908 -3.062 1.00 0.00 H new ATOM 401 N GLU A 810 -6.228 -6.815 -4.045 1.00 0.00 N ATOM 402 CA GLU A 810 -7.066 -7.570 -4.962 1.00 0.00 C ATOM 403 C GLU A 810 -7.865 -8.626 -4.215 1.00 0.00 C ATOM 404 O GLU A 810 -8.938 -9.041 -4.654 1.00 0.00 O ATOM 405 CB GLU A 810 -6.216 -8.215 -6.053 1.00 0.00 C ATOM 406 CG GLU A 810 -5.383 -7.211 -6.826 1.00 0.00 C ATOM 407 CD GLU A 810 -4.834 -7.774 -8.115 1.00 0.00 C ATOM 408 OE1 GLU A 810 -5.631 -8.024 -9.043 1.00 0.00 O ATOM 409 OE2 GLU A 810 -3.602 -7.944 -8.217 1.00 0.00 O ATOM 0 H GLU A 810 -5.226 -6.930 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.767 -6.880 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -5.556 -8.956 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -6.867 -8.748 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -5.992 -6.335 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.556 -6.874 -6.201 1.00 0.00 H new ATOM 416 N ASN A 811 -7.342 -9.047 -3.072 1.00 0.00 N ATOM 417 CA ASN A 811 -7.995 -10.061 -2.264 1.00 0.00 C ATOM 418 C ASN A 811 -9.340 -9.576 -1.727 1.00 0.00 C ATOM 419 O ASN A 811 -10.216 -10.386 -1.426 1.00 0.00 O ATOM 420 CB ASN A 811 -7.099 -10.521 -1.107 1.00 0.00 C ATOM 421 CG ASN A 811 -5.934 -11.375 -1.571 1.00 0.00 C ATOM 422 OD1 ASN A 811 -6.019 -12.065 -2.586 1.00 0.00 O ATOM 423 ND2 ASN A 811 -4.845 -11.349 -0.818 1.00 0.00 N ATOM 0 H ASN A 811 -6.465 -8.699 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.177 -10.914 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.716 -9.647 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.697 -11.087 -0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.036 -11.915 -1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.816 -10.763 0.016 1.00 0.00 H new ATOM 430 N ILE A 812 -9.512 -8.259 -1.614 1.00 0.00 N ATOM 431 CA ILE A 812 -10.799 -7.702 -1.202 1.00 0.00 C ATOM 432 C ILE A 812 -11.863 -8.021 -2.251 1.00 0.00 C ATOM 433 O ILE A 812 -13.007 -8.320 -1.916 1.00 0.00 O ATOM 434 CB ILE A 812 -10.743 -6.164 -0.967 1.00 0.00 C ATOM 435 CG1 ILE A 812 -10.029 -5.831 0.348 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.140 -5.557 -0.961 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.524 -5.890 0.266 1.00 0.00 C ATOM 0 H ILE A 812 -8.787 -7.566 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 812 -11.055 -8.166 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.177 -5.732 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.325 -4.832 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.367 -6.524 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.069 -4.482 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.622 -5.745 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.730 -6.009 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -8.097 -5.641 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.214 -6.895 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.172 -5.176 -0.479 1.00 0.00 H new ATOM 449 N PHE A 813 -11.464 -7.997 -3.517 1.00 0.00 N ATOM 450 CA PHE A 813 -12.381 -8.275 -4.615 1.00 0.00 C ATOM 451 C PHE A 813 -12.709 -9.761 -4.675 1.00 0.00 C ATOM 452 O PHE A 813 -13.820 -10.144 -5.025 1.00 0.00 O ATOM 453 CB PHE A 813 -11.781 -7.811 -5.943 1.00 0.00 C ATOM 454 CG PHE A 813 -11.552 -6.329 -6.011 1.00 0.00 C ATOM 455 CD1 PHE A 813 -12.563 -5.473 -6.419 1.00 0.00 C ATOM 456 CD2 PHE A 813 -10.324 -5.793 -5.668 1.00 0.00 C ATOM 457 CE1 PHE A 813 -12.350 -4.113 -6.484 1.00 0.00 C ATOM 458 CE2 PHE A 813 -10.105 -4.431 -5.731 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.143 -3.586 -6.135 1.00 0.00 C ATOM 0 H PHE A 813 -10.509 -7.787 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.304 -7.723 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -10.833 -8.325 -6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.445 -8.106 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -13.528 -5.876 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -9.527 -6.447 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -13.145 -3.461 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -9.140 -4.022 -5.470 1.00 0.00 H new ATOM 0 HZ PHE A 813 -10.988 -2.518 -6.170 1.00 0.00 H new ATOM 469 N SER A 814 -11.741 -10.591 -4.318 1.00 0.00 N ATOM 470 CA SER A 814 -11.951 -12.031 -4.277 1.00 0.00 C ATOM 471 C SER A 814 -12.851 -12.400 -3.097 1.00 0.00 C ATOM 472 O SER A 814 -13.690 -13.296 -3.189 1.00 0.00 O ATOM 473 CB SER A 814 -10.601 -12.752 -4.174 1.00 0.00 C ATOM 474 OG SER A 814 -10.757 -14.162 -4.190 1.00 0.00 O ATOM 0 H SER A 814 -10.802 -10.293 -4.052 1.00 0.00 H new ATOM 0 HA SER A 814 -12.445 -12.346 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.961 -12.447 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.097 -12.452 -3.255 1.00 0.00 H new ATOM 0 HG SER A 814 -9.877 -14.589 -4.124 1.00 0.00 H new ATOM 480 N SER A 815 -12.675 -11.689 -1.990 1.00 0.00 N ATOM 481 CA SER A 815 -13.467 -11.919 -0.789 1.00 0.00 C ATOM 482 C SER A 815 -14.805 -11.181 -0.862 1.00 0.00 C ATOM 483 O SER A 815 -15.628 -11.287 0.049 1.00 0.00 O ATOM 484 CB SER A 815 -12.680 -11.464 0.441 1.00 0.00 C ATOM 485 OG SER A 815 -11.369 -12.009 0.429 1.00 0.00 O ATOM 0 H SER A 815 -11.985 -10.943 -1.900 1.00 0.00 H new ATOM 0 HA SER A 815 -13.676 -12.986 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.626 -10.376 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.200 -11.775 1.347 1.00 0.00 H new ATOM 0 HG SER A 815 -10.816 -11.516 -0.213 1.00 0.00 H new ATOM 491 N MET A 816 -15.003 -10.424 -1.943 1.00 0.00 N ATOM 492 CA MET A 816 -16.191 -9.591 -2.106 1.00 0.00 C ATOM 493 C MET A 816 -17.464 -10.410 -1.951 1.00 0.00 C ATOM 494 O MET A 816 -17.751 -11.302 -2.751 1.00 0.00 O ATOM 495 CB MET A 816 -16.175 -8.891 -3.464 1.00 0.00 C ATOM 496 CG MET A 816 -17.391 -8.010 -3.712 1.00 0.00 C ATOM 497 SD MET A 816 -17.216 -6.992 -5.192 1.00 0.00 S ATOM 498 CE MET A 816 -15.816 -5.980 -4.719 1.00 0.00 C ATOM 0 H MET A 816 -14.348 -10.373 -2.723 1.00 0.00 H new ATOM 0 HA MET A 816 -16.176 -8.835 -1.321 1.00 0.00 H new ATOM 0 HB2 MET A 816 -15.274 -8.281 -3.538 1.00 0.00 H new ATOM 0 HB3 MET A 816 -16.116 -9.644 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 816 -18.277 -8.638 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 816 -17.551 -7.365 -2.848 1.00 0.00 H new ATOM 0 HE1 MET A 816 -15.984 -4.953 -5.042 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.698 -6.006 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 816 -14.912 -6.365 -5.191 1.00 0.00 H new ATOM 508 N GLY A 817 -18.211 -10.102 -0.908 1.00 0.00 N ATOM 509 CA GLY A 817 -19.417 -10.836 -0.615 1.00 0.00 C ATOM 510 C GLY A 817 -19.461 -11.259 0.832 1.00 0.00 C ATOM 511 O GLY A 817 -20.536 -11.432 1.407 1.00 0.00 O ATOM 0 H GLY A 817 -18.001 -9.349 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.286 -10.218 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.475 -11.716 -1.256 1.00 0.00 H new ATOM 515 N ASP A 818 -18.286 -11.433 1.418 1.00 0.00 N ATOM 516 CA ASP A 818 -18.180 -11.750 2.832 1.00 0.00 C ATOM 517 C ASP A 818 -17.741 -10.512 3.596 1.00 0.00 C ATOM 518 O ASP A 818 -16.646 -9.990 3.370 1.00 0.00 O ATOM 519 CB ASP A 818 -17.187 -12.890 3.064 1.00 0.00 C ATOM 520 CG ASP A 818 -17.178 -13.361 4.504 1.00 0.00 C ATOM 521 OD1 ASP A 818 -16.503 -12.729 5.340 1.00 0.00 O ATOM 522 OD2 ASP A 818 -17.849 -14.373 4.808 1.00 0.00 O ATOM 0 H ASP A 818 -17.391 -11.360 0.934 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.156 -12.075 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -17.439 -13.726 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.186 -12.559 2.786 1.00 0.00 H new ATOM 527 N ALA A 819 -18.592 -10.049 4.497 1.00 0.00 N ATOM 528 CA ALA A 819 -18.365 -8.794 5.198 1.00 0.00 C ATOM 529 C ALA A 819 -17.118 -8.852 6.071 1.00 0.00 C ATOM 530 O ALA A 819 -16.189 -8.063 5.890 1.00 0.00 O ATOM 531 CB ALA A 819 -19.585 -8.444 6.034 1.00 0.00 C ATOM 0 H ALA A 819 -19.453 -10.527 4.762 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.202 -8.015 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.410 -7.504 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.454 -8.342 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -19.767 -9.235 6.761 1.00 0.00 H new ATOM 537 N GLY A 820 -17.102 -9.791 7.003 1.00 0.00 N ATOM 538 CA GLY A 820 -15.977 -9.936 7.909 1.00 0.00 C ATOM 539 C GLY A 820 -14.641 -10.055 7.199 1.00 0.00 C ATOM 540 O GLY A 820 -13.663 -9.427 7.605 1.00 0.00 O ATOM 0 H GLY A 820 -17.855 -10.463 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -15.948 -9.078 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.131 -10.820 8.528 1.00 0.00 H new ATOM 544 N GLU A 821 -14.598 -10.848 6.133 1.00 0.00 N ATOM 545 CA GLU A 821 -13.356 -11.083 5.410 1.00 0.00 C ATOM 546 C GLU A 821 -12.873 -9.809 4.722 1.00 0.00 C ATOM 547 O GLU A 821 -11.702 -9.444 4.828 1.00 0.00 O ATOM 548 CB GLU A 821 -13.537 -12.195 4.378 1.00 0.00 C ATOM 549 CG GLU A 821 -12.226 -12.773 3.879 1.00 0.00 C ATOM 550 CD GLU A 821 -11.468 -13.500 4.969 1.00 0.00 C ATOM 551 OE1 GLU A 821 -10.740 -12.844 5.743 1.00 0.00 O ATOM 552 OE2 GLU A 821 -11.597 -14.739 5.065 1.00 0.00 O ATOM 0 H GLU A 821 -15.408 -11.337 5.752 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.602 -11.392 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.134 -12.994 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -14.100 -11.805 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -12.424 -13.460 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.605 -11.970 3.481 1.00 0.00 H new ATOM 559 N MET A 822 -13.783 -9.128 4.028 1.00 0.00 N ATOM 560 CA MET A 822 -13.439 -7.899 3.314 1.00 0.00 C ATOM 561 C MET A 822 -12.893 -6.845 4.270 1.00 0.00 C ATOM 562 O MET A 822 -11.903 -6.173 3.969 1.00 0.00 O ATOM 563 CB MET A 822 -14.657 -7.342 2.573 1.00 0.00 C ATOM 564 CG MET A 822 -15.092 -8.176 1.381 1.00 0.00 C ATOM 565 SD MET A 822 -16.640 -7.600 0.651 1.00 0.00 S ATOM 566 CE MET A 822 -16.226 -5.901 0.261 1.00 0.00 C ATOM 0 H MET A 822 -14.761 -9.405 3.945 1.00 0.00 H new ATOM 0 HA MET A 822 -12.665 -8.146 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.490 -7.264 3.272 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.431 -6.331 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.309 -8.155 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.207 -9.214 1.692 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.821 -5.567 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.437 -5.268 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.167 -5.833 0.012 1.00 0.00 H new ATOM 576 N VAL A 823 -13.534 -6.711 5.425 1.00 0.00 N ATOM 577 CA VAL A 823 -13.090 -5.761 6.438 1.00 0.00 C ATOM 578 C VAL A 823 -11.726 -6.160 6.988 1.00 0.00 C ATOM 579 O VAL A 823 -10.853 -5.313 7.189 1.00 0.00 O ATOM 580 CB VAL A 823 -14.106 -5.650 7.599 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.604 -4.697 8.675 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.460 -5.195 7.078 1.00 0.00 C ATOM 0 H VAL A 823 -14.362 -7.248 5.683 1.00 0.00 H new ATOM 0 HA VAL A 823 -13.013 -4.787 5.956 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.217 -6.638 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -14.337 -4.637 9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.658 -5.064 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.457 -3.707 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -16.163 -5.122 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.358 -4.220 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.831 -5.917 6.350 1.00 0.00 H new ATOM 592 N ARG A 824 -11.538 -7.458 7.204 1.00 0.00 N ATOM 593 CA ARG A 824 -10.285 -7.971 7.740 1.00 0.00 C ATOM 594 C ARG A 824 -9.129 -7.639 6.802 1.00 0.00 C ATOM 595 O ARG A 824 -8.079 -7.169 7.241 1.00 0.00 O ATOM 596 CB ARG A 824 -10.372 -9.488 7.948 1.00 0.00 C ATOM 597 CG ARG A 824 -9.255 -10.049 8.813 1.00 0.00 C ATOM 598 CD ARG A 824 -9.357 -9.534 10.240 1.00 0.00 C ATOM 599 NE ARG A 824 -8.289 -10.047 11.097 1.00 0.00 N ATOM 600 CZ ARG A 824 -8.462 -10.393 12.374 1.00 0.00 C ATOM 601 NH1 ARG A 824 -9.670 -10.345 12.923 1.00 0.00 N ATOM 602 NH2 ARG A 824 -7.431 -10.802 13.102 1.00 0.00 N ATOM 0 H ARG A 824 -12.240 -8.174 7.015 1.00 0.00 H new ATOM 0 HA ARG A 824 -10.104 -7.494 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.331 -9.729 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.350 -9.981 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -9.302 -11.138 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.289 -9.771 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -9.322 -8.445 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -10.323 -9.819 10.658 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.357 -10.146 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.471 -10.043 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.797 -10.610 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.501 -10.853 12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.568 -11.065 14.078 1.00 0.00 H new ATOM 616 N GLN A 825 -9.343 -7.864 5.508 1.00 0.00 N ATOM 617 CA GLN A 825 -8.323 -7.599 4.499 1.00 0.00 C ATOM 618 C GLN A 825 -7.967 -6.115 4.452 1.00 0.00 C ATOM 619 O GLN A 825 -6.795 -5.753 4.327 1.00 0.00 O ATOM 620 CB GLN A 825 -8.796 -8.069 3.122 1.00 0.00 C ATOM 621 CG GLN A 825 -9.041 -9.566 3.037 1.00 0.00 C ATOM 622 CD GLN A 825 -7.808 -10.380 3.371 1.00 0.00 C ATOM 623 OE1 GLN A 825 -7.575 -10.733 4.525 1.00 0.00 O ATOM 624 NE2 GLN A 825 -7.007 -10.681 2.363 1.00 0.00 N ATOM 0 H GLN A 825 -10.218 -8.231 5.133 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.428 -8.157 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.716 -7.544 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -8.051 -7.789 2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -9.846 -9.838 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.377 -9.819 2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.236 -10.369 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -6.160 -11.225 2.529 1.00 0.00 H new ATOM 633 N ALA A 826 -8.978 -5.259 4.563 1.00 0.00 N ATOM 634 CA ALA A 826 -8.768 -3.816 4.575 1.00 0.00 C ATOM 635 C ALA A 826 -7.885 -3.403 5.748 1.00 0.00 C ATOM 636 O ALA A 826 -7.035 -2.517 5.626 1.00 0.00 O ATOM 637 CB ALA A 826 -10.099 -3.087 4.640 1.00 0.00 C ATOM 0 H ALA A 826 -9.955 -5.542 4.646 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.260 -3.541 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.925 -2.011 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.701 -3.350 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.628 -3.376 5.548 1.00 0.00 H new ATOM 643 N ARG A 827 -8.082 -4.059 6.883 1.00 0.00 N ATOM 644 CA ARG A 827 -7.289 -3.783 8.074 1.00 0.00 C ATOM 645 C ARG A 827 -5.849 -4.244 7.875 1.00 0.00 C ATOM 646 O ARG A 827 -4.910 -3.607 8.357 1.00 0.00 O ATOM 647 CB ARG A 827 -7.902 -4.471 9.293 1.00 0.00 C ATOM 648 CG ARG A 827 -9.320 -4.013 9.586 1.00 0.00 C ATOM 649 CD ARG A 827 -9.923 -4.778 10.748 1.00 0.00 C ATOM 650 NE ARG A 827 -9.211 -4.529 11.999 1.00 0.00 N ATOM 651 CZ ARG A 827 -9.533 -5.088 13.161 1.00 0.00 C ATOM 652 NH1 ARG A 827 -10.511 -5.983 13.225 1.00 0.00 N ATOM 653 NH2 ARG A 827 -8.857 -4.762 14.256 1.00 0.00 N ATOM 0 H ARG A 827 -8.785 -4.788 7.005 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.288 -2.707 8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.901 -5.549 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -7.277 -4.277 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -9.319 -2.947 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.938 -4.150 8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -10.969 -4.494 10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -9.905 -5.845 10.527 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.419 -3.887 11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -11.019 -6.245 12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.754 -6.409 14.119 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -8.095 -4.086 14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -9.099 -5.188 15.151 1.00 0.00 H new ATOM 667 N ILE A 828 -5.682 -5.351 7.157 1.00 0.00 N ATOM 668 CA ILE A 828 -4.355 -5.847 6.818 1.00 0.00 C ATOM 669 C ILE A 828 -3.648 -4.854 5.901 1.00 0.00 C ATOM 670 O ILE A 828 -2.446 -4.616 6.035 1.00 0.00 O ATOM 671 CB ILE A 828 -4.422 -7.237 6.140 1.00 0.00 C ATOM 672 CG1 ILE A 828 -5.108 -8.237 7.074 1.00 0.00 C ATOM 673 CG2 ILE A 828 -3.025 -7.724 5.768 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.296 -9.611 6.469 1.00 0.00 C ATOM 0 H ILE A 828 -6.449 -5.920 6.800 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.791 -5.954 7.745 1.00 0.00 H new ATOM 0 HB ILE A 828 -5.005 -7.152 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.519 -8.330 7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -6.082 -7.841 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -3.095 -8.703 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.565 -7.017 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.415 -7.801 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.788 -10.262 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.911 -9.533 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.324 -10.029 6.207 1.00 0.00 H new ATOM 686 N LEU A 829 -4.408 -4.258 4.987 1.00 0.00 N ATOM 687 CA LEU A 829 -3.883 -3.212 4.121 1.00 0.00 C ATOM 688 C LEU A 829 -3.364 -2.044 4.943 1.00 0.00 C ATOM 689 O LEU A 829 -2.262 -1.563 4.711 1.00 0.00 O ATOM 690 CB LEU A 829 -4.948 -2.713 3.144 1.00 0.00 C ATOM 691 CG LEU A 829 -5.272 -3.659 1.991 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.311 -3.031 1.078 1.00 0.00 C ATOM 693 CD2 LEU A 829 -4.009 -3.995 1.214 1.00 0.00 C ATOM 0 H LEU A 829 -5.390 -4.483 4.828 1.00 0.00 H new ATOM 0 HA LEU A 829 -3.061 -3.644 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.865 -2.518 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.618 -1.761 2.729 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.681 -4.584 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.535 -3.714 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.221 -2.833 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.923 -2.095 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -4.255 -4.670 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.575 -3.080 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.291 -4.476 1.878 1.00 0.00 H new ATOM 705 N ALA A 830 -4.163 -1.601 5.907 1.00 0.00 N ATOM 706 CA ALA A 830 -3.779 -0.493 6.775 1.00 0.00 C ATOM 707 C ALA A 830 -2.494 -0.817 7.528 1.00 0.00 C ATOM 708 O ALA A 830 -1.582 0.008 7.606 1.00 0.00 O ATOM 709 CB ALA A 830 -4.902 -0.171 7.748 1.00 0.00 C ATOM 0 H ALA A 830 -5.083 -1.993 6.108 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.596 0.384 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.601 0.658 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.797 0.107 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -5.114 -1.046 8.362 1.00 0.00 H new ATOM 715 N GLN A 831 -2.425 -2.032 8.060 1.00 0.00 N ATOM 716 CA GLN A 831 -1.249 -2.497 8.783 1.00 0.00 C ATOM 717 C GLN A 831 -0.024 -2.501 7.869 1.00 0.00 C ATOM 718 O GLN A 831 1.026 -1.955 8.211 1.00 0.00 O ATOM 719 CB GLN A 831 -1.505 -3.906 9.329 1.00 0.00 C ATOM 720 CG GLN A 831 -0.378 -4.448 10.192 1.00 0.00 C ATOM 721 CD GLN A 831 -0.145 -3.612 11.433 1.00 0.00 C ATOM 722 OE1 GLN A 831 0.645 -2.669 11.423 1.00 0.00 O ATOM 723 NE2 GLN A 831 -0.838 -3.945 12.507 1.00 0.00 N ATOM 0 H GLN A 831 -3.178 -2.718 8.003 1.00 0.00 H new ATOM 0 HA GLN A 831 -1.054 -1.819 9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -2.425 -3.896 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.667 -4.585 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 831 -0.610 -5.472 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.540 -4.485 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.483 -4.734 12.473 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.728 -3.413 13.370 1.00 0.00 H new ATOM 732 N ALA A 832 -0.178 -3.108 6.699 1.00 0.00 N ATOM 733 CA ALA A 832 0.905 -3.210 5.732 1.00 0.00 C ATOM 734 C ALA A 832 1.327 -1.841 5.219 1.00 0.00 C ATOM 735 O ALA A 832 2.519 -1.549 5.106 1.00 0.00 O ATOM 736 CB ALA A 832 0.487 -4.097 4.576 1.00 0.00 C ATOM 0 H ALA A 832 -1.051 -3.540 6.396 1.00 0.00 H new ATOM 0 HA ALA A 832 1.763 -3.655 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.304 -4.167 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.246 -5.092 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.389 -3.670 4.088 1.00 0.00 H new ATOM 742 N THR A 833 0.343 -1.006 4.918 1.00 0.00 N ATOM 743 CA THR A 833 0.605 0.329 4.410 1.00 0.00 C ATOM 744 C THR A 833 1.363 1.153 5.439 1.00 0.00 C ATOM 745 O THR A 833 2.234 1.945 5.091 1.00 0.00 O ATOM 746 CB THR A 833 -0.705 1.058 4.034 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.412 0.312 3.036 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.423 2.462 3.516 1.00 0.00 C ATOM 0 H THR A 833 -0.647 -1.232 5.018 1.00 0.00 H new ATOM 0 HA THR A 833 1.212 0.221 3.511 1.00 0.00 H new ATOM 0 HB THR A 833 -1.316 1.138 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.933 -0.398 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.363 2.951 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 833 0.087 3.039 4.287 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.209 2.403 2.630 1.00 0.00 H new ATOM 756 N SER A 834 1.051 0.936 6.706 1.00 0.00 N ATOM 757 CA SER A 834 1.692 1.675 7.781 1.00 0.00 C ATOM 758 C SER A 834 3.183 1.364 7.812 1.00 0.00 C ATOM 759 O SER A 834 4.012 2.274 7.829 1.00 0.00 O ATOM 760 CB SER A 834 1.038 1.335 9.124 1.00 0.00 C ATOM 761 OG SER A 834 1.546 2.142 10.171 1.00 0.00 O ATOM 0 H SER A 834 0.358 0.254 7.015 1.00 0.00 H new ATOM 0 HA SER A 834 1.565 2.743 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 834 -0.041 1.472 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.210 0.284 9.357 1.00 0.00 H new ATOM 0 HG SER A 834 1.107 1.900 11.013 1.00 0.00 H new ATOM 767 N ASP A 835 3.520 0.079 7.775 1.00 0.00 N ATOM 768 CA ASP A 835 4.919 -0.340 7.777 1.00 0.00 C ATOM 769 C ASP A 835 5.628 0.178 6.533 1.00 0.00 C ATOM 770 O ASP A 835 6.818 0.494 6.565 1.00 0.00 O ATOM 771 CB ASP A 835 5.033 -1.863 7.846 1.00 0.00 C ATOM 772 CG ASP A 835 6.470 -2.322 7.998 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.058 -2.093 9.076 1.00 0.00 O ATOM 774 OD2 ASP A 835 7.016 -2.931 7.052 1.00 0.00 O ATOM 0 H ASP A 835 2.848 -0.688 7.743 1.00 0.00 H new ATOM 0 HA ASP A 835 5.397 0.082 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.444 -2.232 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 835 4.607 -2.299 6.942 1.00 0.00 H new ATOM 779 N LEU A 836 4.885 0.273 5.440 1.00 0.00 N ATOM 780 CA LEU A 836 5.411 0.829 4.206 1.00 0.00 C ATOM 781 C LEU A 836 5.688 2.320 4.393 1.00 0.00 C ATOM 782 O LEU A 836 6.781 2.791 4.104 1.00 0.00 O ATOM 783 CB LEU A 836 4.421 0.621 3.058 1.00 0.00 C ATOM 784 CG LEU A 836 5.040 0.300 1.690 1.00 0.00 C ATOM 785 CD1 LEU A 836 3.964 0.284 0.621 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.131 1.293 1.322 1.00 0.00 C ATOM 0 H LEU A 836 3.912 -0.030 5.385 1.00 0.00 H new ATOM 0 HA LEU A 836 6.340 0.316 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.745 -0.190 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 836 3.815 1.521 2.959 1.00 0.00 H new ATOM 0 HG LEU A 836 5.498 -0.687 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.414 0.055 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.221 -0.476 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 836 3.482 1.261 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.546 1.034 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 836 5.710 2.298 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 836 6.921 1.261 2.073 1.00 0.00 H new ATOM 798 N VAL A 837 4.693 3.049 4.893 1.00 0.00 N ATOM 799 CA VAL A 837 4.826 4.484 5.142 1.00 0.00 C ATOM 800 C VAL A 837 6.003 4.769 6.072 1.00 0.00 C ATOM 801 O VAL A 837 6.775 5.705 5.844 1.00 0.00 O ATOM 802 CB VAL A 837 3.525 5.075 5.740 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.726 6.517 6.184 1.00 0.00 C ATOM 804 CG2 VAL A 837 2.393 4.993 4.728 1.00 0.00 C ATOM 0 H VAL A 837 3.779 2.667 5.136 1.00 0.00 H new ATOM 0 HA VAL A 837 5.012 4.965 4.182 1.00 0.00 H new ATOM 0 HB VAL A 837 3.262 4.484 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.795 6.903 6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.507 6.558 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 837 4.021 7.124 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.485 5.412 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.662 5.557 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 837 2.219 3.951 4.460 1.00 0.00 H new ATOM 814 N ASN A 838 6.145 3.950 7.107 1.00 0.00 N ATOM 815 CA ASN A 838 7.275 4.057 8.023 1.00 0.00 C ATOM 816 C ASN A 838 8.586 3.886 7.263 1.00 0.00 C ATOM 817 O ASN A 838 9.541 4.634 7.478 1.00 0.00 O ATOM 818 CB ASN A 838 7.180 3.006 9.133 1.00 0.00 C ATOM 819 CG ASN A 838 5.948 3.179 10.002 1.00 0.00 C ATOM 820 OD1 ASN A 838 5.472 4.294 10.218 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.419 2.071 10.500 1.00 0.00 N ATOM 0 H ASN A 838 5.490 3.202 7.334 1.00 0.00 H new ATOM 0 HA ASN A 838 7.249 5.047 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 838 7.167 2.012 8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.071 3.063 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.586 2.122 11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 838 5.845 1.167 10.297 1.00 0.00 H new ATOM 828 N ALA A 839 8.609 2.913 6.356 1.00 0.00 N ATOM 829 CA ALA A 839 9.787 2.642 5.540 1.00 0.00 C ATOM 830 C ALA A 839 10.044 3.766 4.545 1.00 0.00 C ATOM 831 O ALA A 839 11.191 4.093 4.260 1.00 0.00 O ATOM 832 CB ALA A 839 9.634 1.322 4.805 1.00 0.00 C ATOM 0 H ALA A 839 7.819 2.296 6.168 1.00 0.00 H new ATOM 0 HA ALA A 839 10.645 2.579 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.522 1.137 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.511 0.515 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.758 1.365 4.158 1.00 0.00 H new ATOM 838 N ILE A 840 8.971 4.344 4.010 1.00 0.00 N ATOM 839 CA ILE A 840 9.088 5.475 3.095 1.00 0.00 C ATOM 840 C ILE A 840 9.820 6.621 3.775 1.00 0.00 C ATOM 841 O ILE A 840 10.806 7.138 3.252 1.00 0.00 O ATOM 842 CB ILE A 840 7.709 5.978 2.606 1.00 0.00 C ATOM 843 CG1 ILE A 840 6.940 4.866 1.887 1.00 0.00 C ATOM 844 CG2 ILE A 840 7.889 7.170 1.681 1.00 0.00 C ATOM 845 CD1 ILE A 840 5.511 5.230 1.545 1.00 0.00 C ATOM 0 H ILE A 840 8.013 4.048 4.194 1.00 0.00 H new ATOM 0 HA ILE A 840 9.649 5.127 2.227 1.00 0.00 H new ATOM 0 HB ILE A 840 7.129 6.283 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 840 7.468 4.607 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 840 6.937 3.975 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 840 6.913 7.518 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.394 7.973 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.489 6.875 0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 840 5.033 4.392 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 840 4.965 5.459 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 840 5.504 6.101 0.890 1.00 0.00 H new ATOM 857 N LYS A 841 9.344 6.989 4.956 1.00 0.00 N ATOM 858 CA LYS A 841 9.975 8.040 5.743 1.00 0.00 C ATOM 859 C LYS A 841 11.418 7.666 6.072 1.00 0.00 C ATOM 860 O LYS A 841 12.325 8.490 5.967 1.00 0.00 O ATOM 861 CB LYS A 841 9.193 8.264 7.036 1.00 0.00 C ATOM 862 CG LYS A 841 7.761 8.723 6.820 1.00 0.00 C ATOM 863 CD LYS A 841 6.980 8.730 8.123 1.00 0.00 C ATOM 864 CE LYS A 841 5.552 9.206 7.921 1.00 0.00 C ATOM 865 NZ LYS A 841 5.485 10.650 7.576 1.00 0.00 N ATOM 0 H LYS A 841 8.520 6.574 5.392 1.00 0.00 H new ATOM 0 HA LYS A 841 9.975 8.960 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 841 9.184 7.336 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 841 9.715 9.006 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 841 7.759 9.723 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 841 7.270 8.065 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 841 6.972 7.726 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 841 7.480 9.377 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 841 5.085 8.623 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.978 9.024 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.493 10.962 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 6.024 11.199 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 5.891 10.800 6.630 1.00 0.00 H new ATOM 879 N ALA A 842 11.614 6.407 6.442 1.00 0.00 N ATOM 880 CA ALA A 842 12.924 5.910 6.841 1.00 0.00 C ATOM 881 C ALA A 842 13.910 5.903 5.678 1.00 0.00 C ATOM 882 O ALA A 842 15.092 6.196 5.848 1.00 0.00 O ATOM 883 CB ALA A 842 12.788 4.515 7.420 1.00 0.00 C ATOM 0 H ALA A 842 10.874 5.705 6.474 1.00 0.00 H new ATOM 0 HA ALA A 842 13.320 6.585 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 842 13.770 4.147 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 842 12.133 4.545 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.363 3.849 6.669 1.00 0.00 H new ATOM 889 N ASP A 843 13.427 5.566 4.495 1.00 0.00 N ATOM 890 CA ASP A 843 14.279 5.532 3.316 1.00 0.00 C ATOM 891 C ASP A 843 14.548 6.957 2.850 1.00 0.00 C ATOM 892 O ASP A 843 15.642 7.283 2.386 1.00 0.00 O ATOM 893 CB ASP A 843 13.618 4.718 2.200 1.00 0.00 C ATOM 894 CG ASP A 843 14.622 3.982 1.331 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.272 4.620 0.485 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.773 2.752 1.506 1.00 0.00 O ATOM 0 H ASP A 843 12.454 5.313 4.324 1.00 0.00 H new ATOM 0 HA ASP A 843 15.224 5.051 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 843 12.930 3.997 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 843 13.023 5.384 1.575 1.00 0.00 H new ATOM 901 N ALA A 844 13.546 7.813 3.020 1.00 0.00 N ATOM 902 CA ALA A 844 13.656 9.218 2.657 1.00 0.00 C ATOM 903 C ALA A 844 14.660 9.941 3.544 1.00 0.00 C ATOM 904 O ALA A 844 15.449 10.751 3.059 1.00 0.00 O ATOM 905 CB ALA A 844 12.300 9.897 2.743 1.00 0.00 C ATOM 0 H ALA A 844 12.641 7.553 3.411 1.00 0.00 H new ATOM 0 HA ALA A 844 14.013 9.268 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 844 12.401 10.947 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.605 9.408 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.920 9.823 3.762 1.00 0.00 H new ATOM 911 N GLU A 845 14.635 9.648 4.844 1.00 0.00 N ATOM 912 CA GLU A 845 15.553 10.287 5.782 1.00 0.00 C ATOM 913 C GLU A 845 16.974 9.771 5.564 1.00 0.00 C ATOM 914 O GLU A 845 17.949 10.446 5.898 1.00 0.00 O ATOM 915 CB GLU A 845 15.117 10.051 7.234 1.00 0.00 C ATOM 916 CG GLU A 845 15.211 8.602 7.681 1.00 0.00 C ATOM 917 CD GLU A 845 14.788 8.397 9.120 1.00 0.00 C ATOM 918 OE1 GLU A 845 15.582 8.710 10.031 1.00 0.00 O ATOM 919 OE2 GLU A 845 13.655 7.929 9.350 1.00 0.00 O ATOM 0 H GLU A 845 13.994 8.977 5.268 1.00 0.00 H new ATOM 0 HA GLU A 845 15.533 11.361 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 845 15.734 10.664 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 845 14.088 10.391 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 845 14.586 7.987 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 845 16.237 8.255 7.557 1.00 0.00 H new ATOM 926 N GLY A 846 17.078 8.575 4.995 1.00 0.00 N ATOM 927 CA GLY A 846 18.373 8.011 4.676 1.00 0.00 C ATOM 928 C GLY A 846 18.937 8.598 3.401 1.00 0.00 C ATOM 929 O GLY A 846 20.150 8.610 3.193 1.00 0.00 O ATOM 0 H GLY A 846 16.283 7.985 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 846 19.064 8.196 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 846 18.284 6.930 4.571 1.00 0.00 H new ATOM 933 N GLU A 847 18.045 9.081 2.546 1.00 0.00 N ATOM 934 CA GLU A 847 18.440 9.741 1.312 1.00 0.00 C ATOM 935 C GLU A 847 19.122 11.070 1.628 1.00 0.00 C ATOM 936 O GLU A 847 18.661 11.828 2.485 1.00 0.00 O ATOM 937 CB GLU A 847 17.210 9.954 0.417 1.00 0.00 C ATOM 938 CG GLU A 847 17.483 10.751 -0.851 1.00 0.00 C ATOM 939 CD GLU A 847 18.543 10.122 -1.732 1.00 0.00 C ATOM 940 OE1 GLU A 847 18.194 9.256 -2.559 1.00 0.00 O ATOM 941 OE2 GLU A 847 19.729 10.480 -1.594 1.00 0.00 O ATOM 0 H GLU A 847 17.036 9.026 2.688 1.00 0.00 H new ATOM 0 HA GLU A 847 19.150 9.111 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 847 16.805 8.981 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 847 16.440 10.466 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 847 16.558 10.847 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.796 11.759 -0.579 1.00 0.00 H new ATOM 948 N SER A 848 20.226 11.337 0.950 1.00 0.00 N ATOM 949 CA SER A 848 20.977 12.563 1.162 1.00 0.00 C ATOM 950 C SER A 848 20.410 13.693 0.313 1.00 0.00 C ATOM 951 O SER A 848 20.649 14.873 0.583 1.00 0.00 O ATOM 952 CB SER A 848 22.453 12.339 0.824 1.00 0.00 C ATOM 953 OG SER A 848 23.025 11.343 1.657 1.00 0.00 O ATOM 0 H SER A 848 20.624 10.717 0.244 1.00 0.00 H new ATOM 0 HA SER A 848 20.892 12.845 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 848 22.549 12.042 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 848 23.001 13.274 0.941 1.00 0.00 H new ATOM 0 HG SER A 848 23.967 11.219 1.419 1.00 0.00 H new ATOM 959 N ASP A 849 19.649 13.331 -0.712 1.00 0.00 N ATOM 960 CA ASP A 849 19.054 14.316 -1.600 1.00 0.00 C ATOM 961 C ASP A 849 17.726 14.769 -1.023 1.00 0.00 C ATOM 962 O ASP A 849 16.738 14.045 -1.114 1.00 0.00 O ATOM 963 CB ASP A 849 18.834 13.725 -2.994 1.00 0.00 C ATOM 964 CG ASP A 849 18.759 14.786 -4.067 1.00 0.00 C ATOM 965 OD1 ASP A 849 19.819 15.282 -4.494 1.00 0.00 O ATOM 966 OD2 ASP A 849 17.634 15.142 -4.477 1.00 0.00 O ATOM 0 H ASP A 849 19.431 12.363 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 849 19.731 15.166 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 849 19.646 13.036 -3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.912 13.144 -2.997 1.00 0.00 H new ATOM 971 N LEU A 850 17.709 15.950 -0.418 1.00 0.00 N ATOM 972 CA LEU A 850 16.518 16.443 0.263 1.00 0.00 C ATOM 973 C LEU A 850 15.333 16.518 -0.698 1.00 0.00 C ATOM 974 O LEU A 850 14.189 16.289 -0.309 1.00 0.00 O ATOM 975 CB LEU A 850 16.792 17.817 0.874 1.00 0.00 C ATOM 976 CG LEU A 850 16.417 17.965 2.354 1.00 0.00 C ATOM 977 CD1 LEU A 850 14.941 17.670 2.575 1.00 0.00 C ATOM 978 CD2 LEU A 850 17.276 17.051 3.216 1.00 0.00 C ATOM 0 H LEU A 850 18.507 16.585 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 850 16.265 15.744 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 850 17.853 18.041 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 850 16.245 18.566 0.301 1.00 0.00 H new ATOM 0 HG LEU A 850 16.604 18.998 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.702 17.782 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.339 18.367 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.723 16.650 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.996 17.169 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 850 17.122 16.015 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 850 18.326 17.313 3.089 1.00 0.00 H new ATOM 990 N GLU A 851 15.623 16.832 -1.952 1.00 0.00 N ATOM 991 CA GLU A 851 14.612 16.857 -2.997 1.00 0.00 C ATOM 992 C GLU A 851 13.945 15.490 -3.126 1.00 0.00 C ATOM 993 O GLU A 851 12.718 15.378 -3.082 1.00 0.00 O ATOM 994 CB GLU A 851 15.229 17.262 -4.339 1.00 0.00 C ATOM 995 CG GLU A 851 15.874 18.640 -4.338 1.00 0.00 C ATOM 996 CD GLU A 851 17.304 18.644 -3.831 1.00 0.00 C ATOM 997 OE1 GLU A 851 17.515 18.583 -2.604 1.00 0.00 O ATOM 998 OE2 GLU A 851 18.229 18.720 -4.665 1.00 0.00 O ATOM 0 H GLU A 851 16.560 17.075 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 851 13.859 17.595 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 851 15.979 16.522 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 851 14.454 17.236 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 851 15.856 19.040 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 851 15.277 19.310 -3.720 1.00 0.00 H new ATOM 1005 N ASN A 852 14.763 14.451 -3.262 1.00 0.00 N ATOM 1006 CA ASN A 852 14.255 13.088 -3.360 1.00 0.00 C ATOM 1007 C ASN A 852 13.572 12.687 -2.056 1.00 0.00 C ATOM 1008 O ASN A 852 12.544 12.006 -2.067 1.00 0.00 O ATOM 1009 CB ASN A 852 15.389 12.108 -3.678 1.00 0.00 C ATOM 1010 CG ASN A 852 14.889 10.698 -3.951 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.791 10.504 -4.472 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.691 9.703 -3.605 1.00 0.00 N ATOM 0 H ASN A 852 15.779 14.527 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 852 13.528 13.051 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.941 12.467 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 852 16.089 12.085 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 852 15.406 8.737 -3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 852 16.594 9.902 -3.175 1.00 0.00 H new ATOM 1019 N SER A 853 14.138 13.129 -0.935 1.00 0.00 N ATOM 1020 CA SER A 853 13.566 12.853 0.374 1.00 0.00 C ATOM 1021 C SER A 853 12.129 13.365 0.457 1.00 0.00 C ATOM 1022 O SER A 853 11.224 12.642 0.876 1.00 0.00 O ATOM 1023 CB SER A 853 14.409 13.503 1.473 1.00 0.00 C ATOM 1024 OG SER A 853 15.734 13.002 1.469 1.00 0.00 O ATOM 0 H SER A 853 14.995 13.681 -0.911 1.00 0.00 H new ATOM 0 HA SER A 853 13.562 11.773 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 853 14.426 14.583 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.950 13.317 2.444 1.00 0.00 H new ATOM 0 HG SER A 853 15.787 12.213 2.048 1.00 0.00 H new ATOM 1030 N ARG A 854 11.927 14.611 0.034 1.00 0.00 N ATOM 1031 CA ARG A 854 10.608 15.237 0.064 1.00 0.00 C ATOM 1032 C ARG A 854 9.625 14.485 -0.822 1.00 0.00 C ATOM 1033 O ARG A 854 8.477 14.270 -0.437 1.00 0.00 O ATOM 1034 CB ARG A 854 10.697 16.695 -0.385 1.00 0.00 C ATOM 1035 CG ARG A 854 11.475 17.578 0.574 1.00 0.00 C ATOM 1036 CD ARG A 854 11.683 18.969 0.002 1.00 0.00 C ATOM 1037 NE ARG A 854 12.449 19.821 0.906 1.00 0.00 N ATOM 1038 CZ ARG A 854 13.613 20.387 0.588 1.00 0.00 C ATOM 1039 NH1 ARG A 854 14.125 20.227 -0.626 1.00 0.00 N ATOM 1040 NH2 ARG A 854 14.256 21.125 1.485 1.00 0.00 N ATOM 0 H ARG A 854 12.665 15.210 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 854 10.246 15.201 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 854 11.168 16.736 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 854 9.689 17.094 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.940 17.649 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 854 12.442 17.122 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 854 12.202 18.895 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 854 10.715 19.428 -0.196 1.00 0.00 H new ATOM 0 HE ARG A 854 12.071 19.994 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 854 13.627 19.669 -1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 854 15.016 20.662 -0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 854 13.859 21.258 2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 854 15.147 21.559 1.244 1.00 0.00 H new ATOM 1054 N LYS A 855 10.083 14.080 -2.001 1.00 0.00 N ATOM 1055 CA LYS A 855 9.243 13.343 -2.937 1.00 0.00 C ATOM 1056 C LYS A 855 8.725 12.060 -2.294 1.00 0.00 C ATOM 1057 O LYS A 855 7.538 11.737 -2.396 1.00 0.00 O ATOM 1058 CB LYS A 855 10.019 13.018 -4.216 1.00 0.00 C ATOM 1059 CG LYS A 855 9.192 12.267 -5.252 1.00 0.00 C ATOM 1060 CD LYS A 855 9.969 12.031 -6.537 1.00 0.00 C ATOM 1061 CE LYS A 855 11.199 11.168 -6.308 1.00 0.00 C ATOM 1062 NZ LYS A 855 11.915 10.880 -7.581 1.00 0.00 N ATOM 0 H LYS A 855 11.033 14.250 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 855 8.391 13.970 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 855 10.384 13.946 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.894 12.422 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.875 11.309 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.287 12.833 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 855 9.321 11.551 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 855 10.272 12.989 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 855 11.874 11.673 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 855 10.903 10.231 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 12.748 10.289 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 11.278 10.376 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 12.219 11.773 -8.018 1.00 0.00 H new ATOM 1076 N LEU A 856 9.617 11.344 -1.621 1.00 0.00 N ATOM 1077 CA LEU A 856 9.246 10.126 -0.914 1.00 0.00 C ATOM 1078 C LEU A 856 8.272 10.437 0.219 1.00 0.00 C ATOM 1079 O LEU A 856 7.219 9.812 0.335 1.00 0.00 O ATOM 1080 CB LEU A 856 10.491 9.434 -0.353 1.00 0.00 C ATOM 1081 CG LEU A 856 11.471 8.903 -1.402 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.724 8.362 -0.733 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.815 7.822 -2.243 1.00 0.00 C ATOM 0 H LEU A 856 10.605 11.587 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 856 8.757 9.457 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 856 11.019 10.138 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 856 10.172 8.603 0.277 1.00 0.00 H new ATOM 0 HG LEU A 856 11.755 9.728 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.410 7.988 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 856 13.208 9.159 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.454 7.550 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.526 7.456 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.505 6.999 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.943 8.235 -2.750 1.00 0.00 H new ATOM 1095 N LEU A 857 8.624 11.422 1.040 1.00 0.00 N ATOM 1096 CA LEU A 857 7.800 11.811 2.182 1.00 0.00 C ATOM 1097 C LEU A 857 6.381 12.172 1.746 1.00 0.00 C ATOM 1098 O LEU A 857 5.406 11.815 2.413 1.00 0.00 O ATOM 1099 CB LEU A 857 8.437 12.990 2.923 1.00 0.00 C ATOM 1100 CG LEU A 857 9.780 12.691 3.597 1.00 0.00 C ATOM 1101 CD1 LEU A 857 10.378 13.962 4.176 1.00 0.00 C ATOM 1102 CD2 LEU A 857 9.608 11.640 4.685 1.00 0.00 C ATOM 0 H LEU A 857 9.479 11.968 0.935 1.00 0.00 H new ATOM 0 HA LEU A 857 7.741 10.956 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 857 8.578 13.808 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 857 7.738 13.341 3.682 1.00 0.00 H new ATOM 0 HG LEU A 857 10.464 12.299 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 857 11.332 13.732 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 857 10.536 14.686 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 857 9.696 14.381 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 857 10.572 11.440 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 857 8.908 12.006 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 857 9.220 10.721 4.245 1.00 0.00 H new ATOM 1114 N SER A 858 6.272 12.871 0.624 1.00 0.00 N ATOM 1115 CA SER A 858 4.973 13.251 0.086 1.00 0.00 C ATOM 1116 C SER A 858 4.207 12.020 -0.397 1.00 0.00 C ATOM 1117 O SER A 858 3.000 11.905 -0.181 1.00 0.00 O ATOM 1118 CB SER A 858 5.156 14.250 -1.057 1.00 0.00 C ATOM 1119 OG SER A 858 5.883 15.391 -0.622 1.00 0.00 O ATOM 0 H SER A 858 7.068 13.186 0.069 1.00 0.00 H new ATOM 0 HA SER A 858 4.391 13.722 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.683 13.771 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 858 4.181 14.558 -1.436 1.00 0.00 H new ATOM 0 HG SER A 858 6.827 15.154 -0.508 1.00 0.00 H new ATOM 1125 N ALA A 859 4.924 11.087 -1.022 1.00 0.00 N ATOM 1126 CA ALA A 859 4.317 9.863 -1.535 1.00 0.00 C ATOM 1127 C ALA A 859 3.740 9.020 -0.402 1.00 0.00 C ATOM 1128 O ALA A 859 2.745 8.314 -0.584 1.00 0.00 O ATOM 1129 CB ALA A 859 5.335 9.059 -2.330 1.00 0.00 C ATOM 0 H ALA A 859 5.928 11.157 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 859 3.498 10.144 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 859 4.867 8.149 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.695 9.655 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.174 8.796 -1.686 1.00 0.00 H new ATOM 1135 N ALA A 860 4.372 9.102 0.765 1.00 0.00 N ATOM 1136 CA ALA A 860 3.890 8.413 1.954 1.00 0.00 C ATOM 1137 C ALA A 860 2.522 8.942 2.366 1.00 0.00 C ATOM 1138 O ALA A 860 1.614 8.172 2.685 1.00 0.00 O ATOM 1139 CB ALA A 860 4.882 8.573 3.098 1.00 0.00 C ATOM 0 H ALA A 860 5.224 9.643 0.911 1.00 0.00 H new ATOM 0 HA ALA A 860 3.793 7.353 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.508 8.053 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.844 8.150 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 860 5.006 9.631 3.327 1.00 0.00 H new ATOM 1145 N LYS A 861 2.382 10.265 2.337 1.00 0.00 N ATOM 1146 CA LYS A 861 1.130 10.915 2.699 1.00 0.00 C ATOM 1147 C LYS A 861 0.043 10.524 1.704 1.00 0.00 C ATOM 1148 O LYS A 861 -1.084 10.213 2.091 1.00 0.00 O ATOM 1149 CB LYS A 861 1.324 12.441 2.721 1.00 0.00 C ATOM 1150 CG LYS A 861 0.304 13.210 3.561 1.00 0.00 C ATOM 1151 CD LYS A 861 -1.070 13.273 2.910 1.00 0.00 C ATOM 1152 CE LYS A 861 -2.040 14.097 3.744 1.00 0.00 C ATOM 1153 NZ LYS A 861 -3.402 14.135 3.150 1.00 0.00 N ATOM 0 H LYS A 861 3.125 10.908 2.065 1.00 0.00 H new ATOM 0 HA LYS A 861 0.824 10.591 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.323 12.660 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.283 12.812 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 861 0.216 12.737 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 861 0.668 14.224 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 861 -0.983 13.708 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 861 -1.462 12.264 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -2.096 13.680 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -1.660 15.114 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -3.871 15.025 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -3.331 14.074 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 -3.959 13.332 3.507 1.00 0.00 H new ATOM 1167 N ILE A 862 0.405 10.522 0.423 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.515 10.145 -0.648 1.00 0.00 C ATOM 1169 C ILE A 862 -1.021 8.716 -0.460 1.00 0.00 C ATOM 1170 O ILE A 862 -2.226 8.453 -0.528 1.00 0.00 O ATOM 1171 CB ILE A 862 0.167 10.258 -2.030 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.626 11.698 -2.283 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -0.776 9.792 -3.133 1.00 0.00 C ATOM 1174 CD1 ILE A 862 1.410 11.876 -3.568 1.00 0.00 C ATOM 0 H ILE A 862 1.337 10.780 0.099 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.358 10.834 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 862 1.044 9.611 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.248 12.348 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 862 1.242 12.025 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.278 9.879 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.053 8.752 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -1.673 10.411 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 862 1.699 12.921 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 862 2.304 11.253 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 862 0.791 11.581 -4.416 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.093 7.799 -0.216 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.424 6.390 -0.067 1.00 0.00 C ATOM 1188 C LEU A 863 -1.326 6.148 1.134 1.00 0.00 C ATOM 1189 O LEU A 863 -2.434 5.632 0.987 1.00 0.00 O ATOM 1190 CB LEU A 863 0.853 5.555 0.055 1.00 0.00 C ATOM 1191 CG LEU A 863 0.657 4.147 0.625 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.458 3.418 -0.107 1.00 0.00 C ATOM 1193 CD2 LEU A 863 1.956 3.360 0.550 1.00 0.00 C ATOM 0 H LEU A 863 0.900 8.009 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 863 -0.970 6.083 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.309 5.471 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.560 6.091 0.688 1.00 0.00 H new ATOM 0 HG LEU A 863 0.369 4.237 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.579 2.420 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.389 3.974 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 863 -0.207 3.336 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 863 1.801 2.362 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.274 3.281 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.726 3.873 1.127 1.00 0.00 H new ATOM 1205 N ALA A 864 -0.859 6.544 2.311 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.583 6.296 3.555 1.00 0.00 C ATOM 1207 C ALA A 864 -2.984 6.890 3.501 1.00 0.00 C ATOM 1208 O ALA A 864 -3.895 6.449 4.207 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.813 6.877 4.726 1.00 0.00 C ATOM 0 H ALA A 864 0.023 7.041 2.432 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.678 5.218 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.359 6.688 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.170 6.409 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.696 7.952 4.587 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.146 7.886 2.646 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.406 8.589 2.526 1.00 0.00 C ATOM 1217 C ASP A 865 -5.393 7.815 1.672 1.00 0.00 C ATOM 1218 O ASP A 865 -6.598 7.812 1.944 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.174 9.977 1.928 1.00 0.00 C ATOM 1220 CG ASP A 865 -5.056 11.039 2.540 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.220 11.161 2.103 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -4.607 11.735 3.471 1.00 0.00 O ATOM 0 H ASP A 865 -2.414 8.225 2.022 1.00 0.00 H new ATOM 0 HA ASP A 865 -4.832 8.690 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -3.129 10.256 2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -4.354 9.938 0.854 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.885 7.148 0.652 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.715 6.307 -0.187 1.00 0.00 C ATOM 1229 C ALA A 866 -6.211 5.117 0.621 1.00 0.00 C ATOM 1230 O ALA A 866 -7.286 4.573 0.359 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.944 5.842 -1.413 1.00 0.00 C ATOM 0 H ALA A 866 -3.901 7.173 0.385 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.572 6.884 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -5.586 5.212 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.623 6.708 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -4.070 5.272 -1.098 1.00 0.00 H new ATOM 1237 N THR A 867 -5.421 4.737 1.620 1.00 0.00 N ATOM 1238 CA THR A 867 -5.762 3.633 2.499 1.00 0.00 C ATOM 1239 C THR A 867 -6.994 3.956 3.337 1.00 0.00 C ATOM 1240 O THR A 867 -7.886 3.128 3.472 1.00 0.00 O ATOM 1241 CB THR A 867 -4.587 3.296 3.433 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.357 3.385 2.710 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.736 1.895 4.011 1.00 0.00 C ATOM 0 H THR A 867 -4.532 5.185 1.839 1.00 0.00 H new ATOM 0 HA THR A 867 -5.980 2.771 1.868 1.00 0.00 H new ATOM 0 HB THR A 867 -4.586 4.012 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 867 -3.064 2.486 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.893 1.681 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.664 1.833 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.758 1.167 3.200 1.00 0.00 H new ATOM 1251 N ALA A 868 -7.042 5.168 3.883 1.00 0.00 N ATOM 1252 CA ALA A 868 -8.170 5.601 4.699 1.00 0.00 C ATOM 1253 C ALA A 868 -9.482 5.481 3.931 1.00 0.00 C ATOM 1254 O ALA A 868 -10.474 4.974 4.456 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.962 7.031 5.173 1.00 0.00 C ATOM 0 H ALA A 868 -6.309 5.869 3.774 1.00 0.00 H new ATOM 0 HA ALA A 868 -8.228 4.947 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.812 7.340 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -7.051 7.088 5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.874 7.691 4.310 1.00 0.00 H new ATOM 1261 N LYS A 869 -9.474 5.932 2.680 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.651 5.830 1.825 1.00 0.00 C ATOM 1263 C LYS A 869 -10.952 4.372 1.506 1.00 0.00 C ATOM 1264 O LYS A 869 -12.102 3.937 1.561 1.00 0.00 O ATOM 1265 CB LYS A 869 -10.446 6.612 0.526 1.00 0.00 C ATOM 1266 CG LYS A 869 -10.308 8.112 0.729 1.00 0.00 C ATOM 1267 CD LYS A 869 -10.201 8.845 -0.599 1.00 0.00 C ATOM 1268 CE LYS A 869 -11.440 8.639 -1.462 1.00 0.00 C ATOM 1269 NZ LYS A 869 -12.676 9.132 -0.794 1.00 0.00 N ATOM 0 H LYS A 869 -8.667 6.371 2.237 1.00 0.00 H new ATOM 0 HA LYS A 869 -11.497 6.259 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -9.553 6.239 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -11.288 6.421 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -11.168 8.486 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -9.424 8.319 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -10.059 9.910 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -9.321 8.494 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -11.310 9.158 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -11.550 7.579 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -13.463 9.130 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -12.909 8.511 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -12.521 10.100 -0.448 1.00 0.00 H new ATOM 1283 N MET A 870 -9.902 3.627 1.184 1.00 0.00 N ATOM 1284 CA MET A 870 -10.015 2.208 0.880 1.00 0.00 C ATOM 1285 C MET A 870 -10.641 1.446 2.043 1.00 0.00 C ATOM 1286 O MET A 870 -11.592 0.687 1.864 1.00 0.00 O ATOM 1287 CB MET A 870 -8.628 1.642 0.566 1.00 0.00 C ATOM 1288 CG MET A 870 -8.571 0.128 0.530 1.00 0.00 C ATOM 1289 SD MET A 870 -9.756 -0.580 -0.622 1.00 0.00 S ATOM 1290 CE MET A 870 -9.387 -2.314 -0.417 1.00 0.00 C ATOM 0 H MET A 870 -8.950 3.989 1.127 1.00 0.00 H new ATOM 0 HA MET A 870 -10.664 2.089 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 870 -8.299 2.030 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.922 2.004 1.314 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.566 -0.188 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.763 -0.263 1.529 1.00 0.00 H new ATOM 0 HE1 MET A 870 -10.137 -2.910 -0.938 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.402 -2.528 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.397 -2.565 0.644 1.00 0.00 H new ATOM 1300 N VAL A 871 -10.104 1.671 3.229 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.570 1.002 4.430 1.00 0.00 C ATOM 1302 C VAL A 871 -12.039 1.322 4.708 1.00 0.00 C ATOM 1303 O VAL A 871 -12.843 0.415 4.926 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.691 1.387 5.641 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -10.306 0.923 6.949 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -8.298 0.799 5.482 1.00 0.00 C ATOM 0 H VAL A 871 -9.334 2.321 3.386 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.487 -0.073 4.268 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.624 2.475 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.659 1.212 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -11.285 1.385 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -10.416 -0.161 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.686 1.076 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.366 -0.287 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.841 1.186 4.571 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.392 2.604 4.664 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.767 3.019 4.921 1.00 0.00 C ATOM 1318 C GLU A 872 -14.725 2.453 3.876 1.00 0.00 C ATOM 1319 O GLU A 872 -15.855 2.074 4.198 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.874 4.543 4.964 1.00 0.00 C ATOM 1321 CG GLU A 872 -13.221 5.155 6.190 1.00 0.00 C ATOM 1322 CD GLU A 872 -13.774 4.585 7.478 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.911 4.939 7.850 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -13.080 3.773 8.122 1.00 0.00 O ATOM 0 H GLU A 872 -11.750 3.368 4.454 1.00 0.00 H new ATOM 0 HA GLU A 872 -14.053 2.619 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.411 4.958 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.926 4.828 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -12.145 4.982 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -13.371 6.235 6.179 1.00 0.00 H new ATOM 1331 N ALA A 873 -14.273 2.395 2.630 1.00 0.00 N ATOM 1332 CA ALA A 873 -15.075 1.826 1.559 1.00 0.00 C ATOM 1333 C ALA A 873 -15.265 0.331 1.773 1.00 0.00 C ATOM 1334 O ALA A 873 -16.384 -0.174 1.708 1.00 0.00 O ATOM 1335 CB ALA A 873 -14.434 2.094 0.208 1.00 0.00 C ATOM 0 H ALA A 873 -13.357 2.735 2.338 1.00 0.00 H new ATOM 0 HA ALA A 873 -16.054 2.304 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -15.050 1.660 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -14.350 3.170 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.441 1.645 0.181 1.00 0.00 H new ATOM 1341 N ALA A 874 -14.166 -0.366 2.050 1.00 0.00 N ATOM 1342 CA ALA A 874 -14.200 -1.805 2.279 1.00 0.00 C ATOM 1343 C ALA A 874 -15.097 -2.155 3.460 1.00 0.00 C ATOM 1344 O ALA A 874 -15.907 -3.070 3.374 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.792 -2.336 2.506 1.00 0.00 C ATOM 0 H ALA A 874 -13.236 0.047 2.121 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.617 -2.279 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.832 -3.412 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -12.179 -2.130 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.355 -1.847 3.377 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.953 -1.412 4.553 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.760 -1.633 5.751 1.00 0.00 C ATOM 1353 C LYS A 875 -17.250 -1.539 5.440 1.00 0.00 C ATOM 1354 O LYS A 875 -18.027 -2.423 5.808 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.385 -0.618 6.833 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.038 -0.893 7.484 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.488 0.334 8.194 1.00 0.00 C ATOM 1358 CE LYS A 875 -14.411 0.828 9.296 1.00 0.00 C ATOM 1359 NZ LYS A 875 -13.859 2.034 9.966 1.00 0.00 N ATOM 0 H LYS A 875 -14.282 -0.648 4.635 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.554 -2.640 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.370 0.380 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.158 -0.617 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.141 -1.710 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.328 -1.221 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -12.513 0.098 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -13.334 1.132 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -15.390 1.059 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -14.558 0.037 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -14.420 2.246 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -12.871 1.858 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -13.900 2.843 9.314 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.639 -0.480 4.745 1.00 0.00 N ATOM 1374 CA GLY A 876 -19.040 -0.277 4.436 1.00 0.00 C ATOM 1375 C GLY A 876 -19.551 -1.226 3.367 1.00 0.00 C ATOM 1376 O GLY A 876 -20.667 -1.737 3.468 1.00 0.00 O ATOM 0 H GLY A 876 -17.011 0.241 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.630 -0.408 5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -19.189 0.751 4.104 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.733 -1.464 2.346 1.00 0.00 N ATOM 1381 CA ALA A 877 -19.120 -2.331 1.236 1.00 0.00 C ATOM 1382 C ALA A 877 -19.197 -3.782 1.678 1.00 0.00 C ATOM 1383 O ALA A 877 -19.912 -4.587 1.086 1.00 0.00 O ATOM 1384 CB ALA A 877 -18.139 -2.187 0.083 1.00 0.00 C ATOM 0 H ALA A 877 -17.796 -1.068 2.264 1.00 0.00 H new ATOM 0 HA ALA A 877 -20.110 -2.023 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.442 -2.840 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -18.131 -1.153 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -17.140 -2.465 0.418 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.446 -4.112 2.711 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.473 -5.450 3.265 1.00 0.00 C ATOM 1392 C ALA A 878 -19.701 -5.642 4.132 1.00 0.00 C ATOM 1393 O ALA A 878 -20.511 -6.530 3.879 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.216 -5.713 4.070 1.00 0.00 C ATOM 0 H ALA A 878 -17.809 -3.470 3.183 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.516 -6.163 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.251 -6.722 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.343 -5.613 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.149 -4.993 4.885 1.00 0.00 H new ATOM 1400 N ALA A 879 -19.834 -4.797 5.153 1.00 0.00 N ATOM 1401 CA ALA A 879 -20.938 -4.907 6.101 1.00 0.00 C ATOM 1402 C ALA A 879 -22.281 -4.823 5.389 1.00 0.00 C ATOM 1403 O ALA A 879 -23.241 -5.492 5.773 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.825 -3.838 7.172 1.00 0.00 C ATOM 0 H ALA A 879 -19.190 -4.029 5.344 1.00 0.00 H new ATOM 0 HA ALA A 879 -20.878 -5.883 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.656 -3.934 7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.884 -3.958 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.854 -2.853 6.707 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.350 -3.983 4.363 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.506 -3.948 3.479 1.00 0.00 C ATOM 1412 C HIS A 880 -23.125 -4.580 2.143 1.00 0.00 C ATOM 1413 O HIS A 880 -22.784 -3.878 1.192 1.00 0.00 O ATOM 1414 CB HIS A 880 -24.001 -2.511 3.282 1.00 0.00 C ATOM 1415 CG HIS A 880 -24.352 -1.821 4.565 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.883 -0.569 4.902 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -25.125 -2.218 5.603 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -24.348 -0.230 6.087 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -25.104 -1.211 6.534 1.00 0.00 N ATOM 0 H HIS A 880 -21.616 -3.316 4.123 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.322 -4.514 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -23.230 -1.936 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.876 -2.522 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -25.659 -3.153 5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -24.144 0.696 6.604 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -25.595 -1.221 7.428 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.175 -5.920 2.066 1.00 0.00 N ATOM 1428 CA PRO A 881 -22.573 -6.683 0.965 1.00 0.00 C ATOM 1429 C PRO A 881 -23.210 -6.399 -0.395 1.00 0.00 C ATOM 1430 O PRO A 881 -22.517 -6.105 -1.369 1.00 0.00 O ATOM 1431 CB PRO A 881 -22.815 -8.147 1.359 1.00 0.00 C ATOM 1432 CG PRO A 881 -23.153 -8.115 2.809 1.00 0.00 C ATOM 1433 CD PRO A 881 -23.834 -6.801 3.038 1.00 0.00 C ATOM 0 HA PRO A 881 -21.523 -6.418 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -23.627 -8.582 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -21.929 -8.755 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -23.805 -8.946 3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -22.256 -8.203 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -24.908 -6.866 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -23.699 -6.448 4.060 1.00 0.00 H new ATOM 1441 N ASP A 882 -24.532 -6.492 -0.451 1.00 0.00 N ATOM 1442 CA ASP A 882 -25.265 -6.409 -1.715 1.00 0.00 C ATOM 1443 C ASP A 882 -25.371 -4.969 -2.226 1.00 0.00 C ATOM 1444 O ASP A 882 -25.815 -4.728 -3.348 1.00 0.00 O ATOM 1445 CB ASP A 882 -26.659 -7.022 -1.541 1.00 0.00 C ATOM 1446 CG ASP A 882 -27.426 -7.141 -2.845 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -27.115 -8.049 -3.641 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.331 -6.312 -3.089 1.00 0.00 O ATOM 0 H ASP A 882 -25.125 -6.626 0.368 1.00 0.00 H new ATOM 0 HA ASP A 882 -24.709 -6.972 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -26.561 -8.011 -1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -27.233 -6.412 -0.844 1.00 0.00 H new ATOM 1453 N SER A 883 -24.952 -4.015 -1.403 1.00 0.00 N ATOM 1454 CA SER A 883 -25.057 -2.603 -1.751 1.00 0.00 C ATOM 1455 C SER A 883 -24.067 -2.230 -2.856 1.00 0.00 C ATOM 1456 O SER A 883 -22.865 -2.090 -2.613 1.00 0.00 O ATOM 1457 CB SER A 883 -24.825 -1.742 -0.510 1.00 0.00 C ATOM 1458 OG SER A 883 -25.757 -2.065 0.511 1.00 0.00 O ATOM 0 H SER A 883 -24.536 -4.194 -0.489 1.00 0.00 H new ATOM 0 HA SER A 883 -26.062 -2.417 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.810 -1.892 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 883 -24.916 -0.688 -0.771 1.00 0.00 H new ATOM 0 HG SER A 883 -25.847 -1.305 1.124 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.589 -2.061 -4.068 1.00 0.00 N ATOM 1465 CA GLU A 884 -23.768 -1.755 -5.237 1.00 0.00 C ATOM 1466 C GLU A 884 -23.131 -0.372 -5.114 1.00 0.00 C ATOM 1467 O GLU A 884 -22.048 -0.128 -5.641 1.00 0.00 O ATOM 1468 CB GLU A 884 -24.623 -1.842 -6.506 1.00 0.00 C ATOM 1469 CG GLU A 884 -23.903 -1.438 -7.787 1.00 0.00 C ATOM 1470 CD GLU A 884 -22.664 -2.267 -8.071 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -22.781 -3.507 -8.154 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -21.572 -1.676 -8.225 1.00 0.00 O ATOM 0 H GLU A 884 -25.587 -2.132 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 884 -22.963 -2.487 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -24.984 -2.865 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -25.499 -1.206 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -24.592 -1.530 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -23.620 -0.387 -7.720 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.800 0.521 -4.401 1.00 0.00 N ATOM 1480 CA GLU A 885 -23.298 1.875 -4.200 1.00 0.00 C ATOM 1481 C GLU A 885 -21.959 1.826 -3.477 1.00 0.00 C ATOM 1482 O GLU A 885 -21.028 2.563 -3.805 1.00 0.00 O ATOM 1483 CB GLU A 885 -24.290 2.718 -3.389 1.00 0.00 C ATOM 1484 CG GLU A 885 -25.694 2.782 -3.978 1.00 0.00 C ATOM 1485 CD GLU A 885 -26.438 1.464 -3.875 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -26.458 0.869 -2.779 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -27.032 1.038 -4.885 1.00 0.00 O ATOM 0 H GLU A 885 -24.695 0.333 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 885 -23.172 2.340 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -24.351 2.312 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -23.900 3.732 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -26.263 3.556 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -25.630 3.076 -5.026 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.870 0.929 -2.508 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.649 0.740 -1.749 1.00 0.00 C ATOM 1496 C GLN A 886 -19.593 0.034 -2.586 1.00 0.00 C ATOM 1497 O GLN A 886 -18.413 0.374 -2.517 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.936 -0.048 -0.475 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.646 0.771 0.583 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.830 1.976 1.005 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -20.956 3.057 0.436 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -19.974 1.787 1.991 1.00 0.00 N ATOM 0 H GLN A 886 -22.637 0.317 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 886 -20.261 1.721 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.545 -0.918 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -19.997 -0.422 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.611 1.102 0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.847 0.145 1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -19.902 0.872 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -19.384 2.556 2.309 1.00 0.00 H new ATOM 1511 N GLN A 887 -20.020 -0.935 -3.387 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.103 -1.652 -4.263 1.00 0.00 C ATOM 1513 C GLN A 887 -18.512 -0.700 -5.298 1.00 0.00 C ATOM 1514 O GLN A 887 -17.339 -0.807 -5.657 1.00 0.00 O ATOM 1515 CB GLN A 887 -19.816 -2.812 -4.959 1.00 0.00 C ATOM 1516 CG GLN A 887 -20.487 -3.784 -4.000 1.00 0.00 C ATOM 1517 CD GLN A 887 -19.547 -4.312 -2.931 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -18.342 -4.431 -3.143 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.099 -4.636 -1.773 1.00 0.00 N ATOM 0 H GLN A 887 -20.991 -1.241 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.295 -2.060 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -20.567 -2.409 -5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -19.095 -3.357 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.331 -3.288 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -20.891 -4.623 -4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.103 -4.522 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -19.520 -5.000 -1.016 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.337 0.228 -5.771 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.897 1.281 -6.676 1.00 0.00 C ATOM 1530 C GLN A 888 -17.773 2.087 -6.029 1.00 0.00 C ATOM 1531 O GLN A 888 -16.722 2.312 -6.631 1.00 0.00 O ATOM 1532 CB GLN A 888 -20.077 2.204 -7.013 1.00 0.00 C ATOM 1533 CG GLN A 888 -19.744 3.319 -7.993 1.00 0.00 C ATOM 1534 CD GLN A 888 -19.543 2.821 -9.412 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -20.152 1.836 -9.832 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -18.697 3.505 -10.163 1.00 0.00 N ATOM 0 H GLN A 888 -20.329 0.270 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.525 0.829 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.886 1.602 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -20.450 2.648 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -20.547 4.056 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.839 3.829 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -18.213 4.315 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -18.529 3.222 -11.129 1.00 0.00 H new ATOM 1545 N ARG A 889 -18.003 2.500 -4.786 1.00 0.00 N ATOM 1546 CA ARG A 889 -17.027 3.277 -4.031 1.00 0.00 C ATOM 1547 C ARG A 889 -15.765 2.460 -3.758 1.00 0.00 C ATOM 1548 O ARG A 889 -14.649 2.958 -3.907 1.00 0.00 O ATOM 1549 CB ARG A 889 -17.642 3.749 -2.711 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.748 4.778 -2.886 1.00 0.00 C ATOM 1551 CD ARG A 889 -19.446 5.083 -1.567 1.00 0.00 C ATOM 1552 NE ARG A 889 -20.332 6.243 -1.669 1.00 0.00 N ATOM 1553 CZ ARG A 889 -21.352 6.485 -0.843 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -21.694 5.596 0.080 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -22.052 7.606 -0.960 1.00 0.00 N ATOM 0 H ARG A 889 -18.866 2.307 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.747 4.144 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -18.041 2.887 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.857 4.175 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -18.329 5.696 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -19.477 4.409 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -20.023 4.213 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.698 5.265 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 889 -20.159 6.910 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -21.176 4.721 0.162 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -22.475 5.787 0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -21.811 8.285 -1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -22.831 7.789 -0.328 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.952 1.204 -3.369 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.837 0.318 -3.050 1.00 0.00 C ATOM 1571 C LEU A 890 -13.953 0.076 -4.269 1.00 0.00 C ATOM 1572 O LEU A 890 -12.729 0.068 -4.158 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.358 -1.017 -2.510 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.282 -2.063 -2.207 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.286 -1.536 -1.186 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.922 -3.346 -1.709 1.00 0.00 C ATOM 0 H LEU A 890 -16.871 0.774 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 890 -14.233 0.805 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.923 -0.826 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -16.056 -1.436 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.742 -2.275 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.532 -2.297 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.804 -0.640 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.808 -1.292 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.146 -4.081 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.486 -3.142 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.594 -3.738 -2.473 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.572 -0.118 -5.428 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.824 -0.362 -6.657 1.00 0.00 C ATOM 1590 C ARG A 891 -12.873 0.790 -6.964 1.00 0.00 C ATOM 1591 O ARG A 891 -11.749 0.570 -7.413 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.770 -0.606 -7.834 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.313 -2.026 -7.878 1.00 0.00 C ATOM 1594 CD ARG A 891 -16.166 -2.269 -9.111 1.00 0.00 C ATOM 1595 NE ARG A 891 -17.539 -1.791 -8.951 1.00 0.00 N ATOM 1596 CZ ARG A 891 -18.200 -1.117 -9.888 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -17.568 -0.701 -10.979 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -19.489 -0.844 -9.731 1.00 0.00 N ATOM 0 H ARG A 891 -15.585 -0.111 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.226 -1.261 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.604 0.094 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.244 -0.395 -8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -14.483 -2.732 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -15.906 -2.216 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -15.710 -1.772 -9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -16.181 -3.336 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 891 -18.017 -1.986 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -16.575 -0.898 -11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -18.076 -0.184 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -19.977 -1.151 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -19.992 -0.327 -10.452 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.314 2.012 -6.702 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.457 3.174 -6.890 1.00 0.00 C ATOM 1614 C GLU A 892 -11.403 3.247 -5.793 1.00 0.00 C ATOM 1615 O GLU A 892 -10.217 3.432 -6.068 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.267 4.466 -6.890 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.198 4.618 -8.077 1.00 0.00 C ATOM 1618 CD GLU A 892 -14.598 6.060 -8.287 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -13.779 6.846 -8.799 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -15.750 6.408 -7.955 1.00 0.00 O ATOM 0 H GLU A 892 -14.252 2.224 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 892 -11.969 3.063 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -13.855 4.513 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.580 5.312 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -13.709 4.241 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -15.090 4.011 -7.921 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.848 3.091 -4.552 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.971 3.213 -3.396 1.00 0.00 C ATOM 1629 C ALA A 893 -9.833 2.198 -3.438 1.00 0.00 C ATOM 1630 O ALA A 893 -8.678 2.540 -3.178 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.772 3.057 -2.113 1.00 0.00 C ATOM 0 H ALA A 893 -12.818 2.878 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.524 4.207 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -11.106 3.150 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.537 3.832 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -12.248 2.077 -2.098 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.159 0.955 -3.777 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.166 -0.108 -3.812 1.00 0.00 C ATOM 1639 C ALA A 894 -8.163 0.107 -4.933 1.00 0.00 C ATOM 1640 O ALA A 894 -6.960 0.004 -4.715 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.834 -1.465 -3.948 1.00 0.00 C ATOM 0 H ALA A 894 -11.102 0.661 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.622 -0.083 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.073 -2.245 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.497 -1.631 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.413 -1.495 -4.871 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.652 0.419 -6.128 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.774 0.688 -7.262 1.00 0.00 C ATOM 1649 C GLU A 895 -6.925 1.933 -7.004 1.00 0.00 C ATOM 1650 O GLU A 895 -5.774 2.012 -7.437 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.590 0.851 -8.546 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.199 -0.449 -9.050 1.00 0.00 C ATOM 1653 CD GLU A 895 -8.160 -1.412 -9.593 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -7.672 -1.202 -10.723 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -7.817 -2.382 -8.882 1.00 0.00 O ATOM 0 H GLU A 895 -9.648 0.492 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.104 -0.163 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.388 1.572 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.949 1.268 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -9.743 -0.929 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -9.925 -0.226 -9.832 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.500 2.893 -6.287 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.757 4.076 -5.891 1.00 0.00 C ATOM 1664 C GLY A 896 -5.652 3.744 -4.910 1.00 0.00 C ATOM 1665 O GLY A 896 -4.513 4.180 -5.077 1.00 0.00 O ATOM 0 H GLY A 896 -8.470 2.873 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -6.329 4.549 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -7.437 4.799 -5.441 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.991 2.959 -3.892 1.00 0.00 N ATOM 1670 CA LEU A 897 -5.016 2.488 -2.912 1.00 0.00 C ATOM 1671 C LEU A 897 -3.951 1.646 -3.612 1.00 0.00 C ATOM 1672 O LEU A 897 -2.753 1.800 -3.369 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.746 1.680 -1.817 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.891 1.120 -0.666 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.229 -0.193 -1.059 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.843 2.130 -0.228 1.00 0.00 C ATOM 0 H LEU A 897 -6.943 2.633 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.517 3.334 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.518 2.317 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.255 0.844 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.557 0.926 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.632 -0.563 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.996 -0.926 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.585 -0.031 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.252 1.711 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -3.189 2.364 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -4.335 3.041 0.113 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.415 0.771 -4.491 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.553 -0.067 -5.313 1.00 0.00 C ATOM 1690 C ARG A 898 -2.546 0.795 -6.074 1.00 0.00 C ATOM 1691 O ARG A 898 -1.346 0.520 -6.065 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.431 -0.852 -6.289 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.718 -1.918 -7.102 1.00 0.00 C ATOM 1694 CD ARG A 898 -4.710 -2.627 -8.007 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.120 -3.736 -8.748 1.00 0.00 N ATOM 1696 CZ ARG A 898 -4.774 -4.424 -9.684 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -6.034 -4.125 -9.981 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -4.171 -5.417 -10.313 1.00 0.00 N ATOM 0 H ARG A 898 -5.410 0.621 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.994 -0.758 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -5.234 -1.327 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.898 -0.147 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.927 -1.464 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -3.241 -2.637 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -5.539 -3.000 -7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -5.127 -1.908 -8.712 1.00 0.00 H new ATOM 0 HE ARG A 898 -3.157 -3.999 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -6.507 -3.365 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -6.529 -4.655 -10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -3.207 -5.656 -10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -4.670 -5.945 -11.029 1.00 0.00 H new ATOM 1712 N MET A 899 -3.048 1.853 -6.700 1.00 0.00 N ATOM 1713 CA MET A 899 -2.209 2.764 -7.467 1.00 0.00 C ATOM 1714 C MET A 899 -1.237 3.506 -6.559 1.00 0.00 C ATOM 1715 O MET A 899 -0.044 3.554 -6.837 1.00 0.00 O ATOM 1716 CB MET A 899 -3.070 3.770 -8.237 1.00 0.00 C ATOM 1717 CG MET A 899 -2.258 4.745 -9.076 1.00 0.00 C ATOM 1718 SD MET A 899 -3.282 5.982 -9.898 1.00 0.00 S ATOM 1719 CE MET A 899 -4.035 6.793 -8.489 1.00 0.00 C ATOM 0 H MET A 899 -4.037 2.101 -6.691 1.00 0.00 H new ATOM 0 HA MET A 899 -1.636 2.169 -8.178 1.00 0.00 H new ATOM 0 HB2 MET A 899 -3.756 3.227 -8.887 1.00 0.00 H new ATOM 0 HB3 MET A 899 -3.679 4.332 -7.529 1.00 0.00 H new ATOM 0 HG2 MET A 899 -1.531 5.248 -8.438 1.00 0.00 H new ATOM 0 HG3 MET A 899 -1.695 4.190 -9.826 1.00 0.00 H new ATOM 0 HE1 MET A 899 -4.369 7.790 -8.778 1.00 0.00 H new ATOM 0 HE2 MET A 899 -4.890 6.209 -8.147 1.00 0.00 H new ATOM 0 HE3 MET A 899 -3.305 6.874 -7.683 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.752 4.072 -5.470 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.930 4.842 -4.539 1.00 0.00 C ATOM 1731 C ALA A 900 0.202 3.992 -3.967 1.00 0.00 C ATOM 1732 O ALA A 900 1.332 4.462 -3.819 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.788 5.410 -3.420 1.00 0.00 C ATOM 0 H ALA A 900 -2.736 4.012 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.481 5.668 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -1.161 5.981 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.552 6.063 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -2.267 4.594 -2.879 1.00 0.00 H new ATOM 1739 N THR A 901 -0.111 2.742 -3.658 1.00 0.00 N ATOM 1740 CA THR A 901 0.878 1.800 -3.157 1.00 0.00 C ATOM 1741 C THR A 901 1.931 1.503 -4.219 1.00 0.00 C ATOM 1742 O THR A 901 3.131 1.661 -3.990 1.00 0.00 O ATOM 1743 CB THR A 901 0.211 0.477 -2.741 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.800 0.724 -1.758 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.238 -0.499 -2.192 1.00 0.00 C ATOM 0 H THR A 901 -1.050 2.355 -3.747 1.00 0.00 H new ATOM 0 HA THR A 901 1.354 2.258 -2.290 1.00 0.00 H new ATOM 0 HB THR A 901 -0.247 0.034 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.573 1.151 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 901 0.742 -1.426 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 901 1.985 -0.709 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 901 1.724 -0.063 -1.320 1.00 0.00 H new ATOM 1753 N ASN A 902 1.458 1.081 -5.382 1.00 0.00 N ATOM 1754 CA ASN A 902 2.321 0.710 -6.485 1.00 0.00 C ATOM 1755 C ASN A 902 3.165 1.909 -6.941 1.00 0.00 C ATOM 1756 O ASN A 902 4.323 1.758 -7.324 1.00 0.00 O ATOM 1757 CB ASN A 902 1.469 0.179 -7.641 1.00 0.00 C ATOM 1758 CG ASN A 902 2.290 -0.357 -8.797 1.00 0.00 C ATOM 1759 OD1 ASN A 902 3.421 -0.815 -8.623 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.709 -0.327 -9.984 1.00 0.00 N ATOM 0 H ASN A 902 0.463 0.987 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 902 3.004 -0.073 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.818 -0.613 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.823 0.979 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 902 2.199 -0.692 -10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.771 0.061 -10.083 1.00 0.00 H new ATOM 1767 N ALA A 903 2.576 3.102 -6.875 1.00 0.00 N ATOM 1768 CA ALA A 903 3.274 4.334 -7.232 1.00 0.00 C ATOM 1769 C ALA A 903 4.387 4.640 -6.236 1.00 0.00 C ATOM 1770 O ALA A 903 5.461 5.106 -6.617 1.00 0.00 O ATOM 1771 CB ALA A 903 2.302 5.502 -7.311 1.00 0.00 C ATOM 0 H ALA A 903 1.611 3.241 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 903 3.723 4.189 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 903 2.844 6.409 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 903 1.545 5.295 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 903 1.819 5.640 -6.343 1.00 0.00 H new ATOM 1777 N ALA A 904 4.132 4.373 -4.960 1.00 0.00 N ATOM 1778 CA ALA A 904 5.162 4.517 -3.940 1.00 0.00 C ATOM 1779 C ALA A 904 6.292 3.536 -4.218 1.00 0.00 C ATOM 1780 O ALA A 904 7.462 3.820 -3.968 1.00 0.00 O ATOM 1781 CB ALA A 904 4.581 4.288 -2.552 1.00 0.00 C ATOM 0 H ALA A 904 3.227 4.058 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 904 5.556 5.533 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.367 4.400 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 904 3.794 5.017 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 904 4.166 3.282 -2.493 1.00 0.00 H new ATOM 1787 N ALA A 905 5.921 2.388 -4.771 1.00 0.00 N ATOM 1788 CA ALA A 905 6.881 1.372 -5.170 1.00 0.00 C ATOM 1789 C ALA A 905 7.722 1.846 -6.357 1.00 0.00 C ATOM 1790 O ALA A 905 8.856 1.406 -6.540 1.00 0.00 O ATOM 1791 CB ALA A 905 6.156 0.079 -5.512 1.00 0.00 C ATOM 0 H ALA A 905 4.949 2.138 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 905 7.557 1.189 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 905 6.882 -0.677 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.605 -0.271 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.461 0.258 -6.332 1.00 0.00 H new ATOM 1797 N GLN A 906 7.160 2.747 -7.161 1.00 0.00 N ATOM 1798 CA GLN A 906 7.865 3.289 -8.322 1.00 0.00 C ATOM 1799 C GLN A 906 8.887 4.331 -7.883 1.00 0.00 C ATOM 1800 O GLN A 906 9.882 4.573 -8.566 1.00 0.00 O ATOM 1801 CB GLN A 906 6.887 3.931 -9.311 1.00 0.00 C ATOM 1802 CG GLN A 906 5.783 3.007 -9.798 1.00 0.00 C ATOM 1803 CD GLN A 906 6.298 1.659 -10.259 1.00 0.00 C ATOM 1804 OE1 GLN A 906 6.700 1.495 -11.412 1.00 0.00 O ATOM 1805 NE2 GLN A 906 6.261 0.681 -9.373 1.00 0.00 N ATOM 0 H GLN A 906 6.219 3.117 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 906 8.374 2.461 -8.815 1.00 0.00 H new ATOM 0 HB2 GLN A 906 6.432 4.802 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 906 7.447 4.292 -10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 906 5.061 2.858 -8.995 1.00 0.00 H new ATOM 0 HG3 GLN A 906 5.252 3.487 -10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 906 5.920 0.861 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 906 6.573 -0.255 -9.633 1.00 0.00 H new ATOM 1814 N ASN A 907 8.632 4.933 -6.728 1.00 0.00 N ATOM 1815 CA ASN A 907 9.506 5.968 -6.183 1.00 0.00 C ATOM 1816 C ASN A 907 10.749 5.363 -5.552 1.00 0.00 C ATOM 1817 O ASN A 907 11.638 6.088 -5.105 1.00 0.00 O ATOM 1818 CB ASN A 907 8.763 6.821 -5.154 1.00 0.00 C ATOM 1819 CG ASN A 907 7.983 7.956 -5.788 1.00 0.00 C ATOM 1820 OD1 ASN A 907 8.511 9.051 -5.977 1.00 0.00 O ATOM 1821 ND2 ASN A 907 6.727 7.708 -6.130 1.00 0.00 N ATOM 0 H ASN A 907 7.822 4.721 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 907 9.815 6.605 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 907 8.080 6.187 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 907 9.480 7.231 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 907 6.164 8.438 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 907 6.324 6.787 -5.957 1.00 0.00 H new ATOM 1828 N ALA A 908 10.787 4.035 -5.499 1.00 0.00 N ATOM 1829 CA ALA A 908 11.919 3.318 -4.934 1.00 0.00 C ATOM 1830 C ALA A 908 13.232 3.783 -5.548 1.00 0.00 C ATOM 1831 O ALA A 908 13.374 3.836 -6.773 1.00 0.00 O ATOM 1832 CB ALA A 908 11.742 1.820 -5.130 1.00 0.00 C ATOM 0 H ALA A 908 10.040 3.432 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 908 11.956 3.534 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.596 1.294 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.829 1.493 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.675 1.598 -6.195 1.00 0.00 H new