USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 73:sc= 0.528 USER MOD Set 1.2: A 867 THR OG1 : rot 57:sc= 0.716 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.324 K(o=2,f=-1.7!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.7 K(o=2,f=-4.4!) USER MOD Single : A 772 THR OG1 : rot 73:sc= 0.809 USER MOD Single : A 775 THR OG1 : rot 75:sc= 0.918 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= 0.555 K(o=0.56,f=0) USER MOD Single : A 802 THR OG1 : rot -160:sc= 0.00573 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 814 SER OG : rot 80:sc= 1.3 USER MOD Single : A 815 SER OG : rot -75:sc= -3.11! USER MOD Single : A 816 MET CE :methyl -116:sc= 0 (180deg=-0.363) USER MOD Single : A 822 MET CE :methyl 170:sc= -0.977 (180deg=-1.78) USER MOD Single : A 831 GLN : amide:sc= -0.0694 K(o=-0.069,f=-1.1) USER MOD Single : A 834 SER OG : rot 62:sc= 1.32 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.732) USER MOD Single : A 870 MET CE :methyl -167:sc= -2.79! (180deg=-3.5!) USER MOD Single : A 875 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.146 -3.260 5.433 1.00 0.00 N ATOM 221 CA GLY A 766 -11.201 -3.681 4.421 1.00 0.00 C ATOM 222 C GLY A 766 -10.183 -2.609 4.097 1.00 0.00 C ATOM 223 O GLY A 766 -8.989 -2.789 4.332 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.684 -4.578 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.741 -3.951 3.514 1.00 0.00 H new ATOM 227 N VAL A 767 -10.659 -1.483 3.573 1.00 0.00 N ATOM 228 CA VAL A 767 -9.776 -0.405 3.137 1.00 0.00 C ATOM 229 C VAL A 767 -8.951 0.140 4.293 1.00 0.00 C ATOM 230 O VAL A 767 -7.756 0.382 4.144 1.00 0.00 O ATOM 231 CB VAL A 767 -10.556 0.760 2.496 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.642 1.596 1.614 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.745 0.246 1.704 1.00 0.00 C ATOM 0 H VAL A 767 -11.652 -1.293 3.440 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.115 -0.842 2.389 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.934 1.396 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.212 2.413 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.830 2.004 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.229 0.971 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.279 1.087 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.396 -0.418 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.415 -0.301 2.367 1.00 0.00 H new ATOM 243 N GLY A 768 -9.594 0.325 5.440 1.00 0.00 N ATOM 244 CA GLY A 768 -8.910 0.859 6.604 1.00 0.00 C ATOM 245 C GLY A 768 -7.702 0.033 6.999 1.00 0.00 C ATOM 246 O GLY A 768 -6.585 0.547 7.058 1.00 0.00 O ATOM 0 H GLY A 768 -10.581 0.114 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.595 1.882 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.606 0.902 7.442 1.00 0.00 H new ATOM 250 N ALA A 769 -7.922 -1.252 7.243 1.00 0.00 N ATOM 251 CA ALA A 769 -6.850 -2.153 7.648 1.00 0.00 C ATOM 252 C ALA A 769 -5.756 -2.222 6.586 1.00 0.00 C ATOM 253 O ALA A 769 -4.565 -2.167 6.899 1.00 0.00 O ATOM 254 CB ALA A 769 -7.406 -3.542 7.927 1.00 0.00 C ATOM 0 H ALA A 769 -8.837 -1.696 7.167 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.406 -1.760 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.595 -4.205 8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.144 -3.485 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.878 -3.933 7.026 1.00 0.00 H new ATOM 260 N ALA A 770 -6.169 -2.324 5.329 1.00 0.00 N ATOM 261 CA ALA A 770 -5.233 -2.423 4.216 1.00 0.00 C ATOM 262 C ALA A 770 -4.400 -1.151 4.074 1.00 0.00 C ATOM 263 O ALA A 770 -3.187 -1.213 3.873 1.00 0.00 O ATOM 264 CB ALA A 770 -5.985 -2.712 2.927 1.00 0.00 C ATOM 0 H ALA A 770 -7.151 -2.340 5.054 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.548 -3.246 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.277 -2.784 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.526 -3.653 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.692 -1.906 2.730 1.00 0.00 H new ATOM 270 N ALA A 771 -5.052 -0.001 4.192 1.00 0.00 N ATOM 271 CA ALA A 771 -4.372 1.282 4.070 1.00 0.00 C ATOM 272 C ALA A 771 -3.360 1.470 5.197 1.00 0.00 C ATOM 273 O ALA A 771 -2.235 1.924 4.967 1.00 0.00 O ATOM 274 CB ALA A 771 -5.380 2.419 4.057 1.00 0.00 C ATOM 0 H ALA A 771 -6.053 0.069 4.373 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.829 1.293 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.855 3.370 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.057 2.295 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.952 2.409 4.985 1.00 0.00 H new ATOM 280 N THR A 772 -3.757 1.110 6.413 1.00 0.00 N ATOM 281 CA THR A 772 -2.857 1.170 7.555 1.00 0.00 C ATOM 282 C THR A 772 -1.646 0.268 7.331 1.00 0.00 C ATOM 283 O THR A 772 -0.513 0.664 7.597 1.00 0.00 O ATOM 284 CB THR A 772 -3.574 0.756 8.858 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.757 1.546 9.034 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.662 0.930 10.066 1.00 0.00 C ATOM 0 H THR A 772 -4.695 0.774 6.631 1.00 0.00 H new ATOM 0 HA THR A 772 -2.525 2.203 7.655 1.00 0.00 H new ATOM 0 HB THR A 772 -3.842 -0.297 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.443 1.254 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.194 0.631 10.969 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.775 0.309 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.364 1.975 10.150 1.00 0.00 H new ATOM 294 N ALA A 773 -1.893 -0.933 6.813 1.00 0.00 N ATOM 295 CA ALA A 773 -0.826 -1.888 6.535 1.00 0.00 C ATOM 296 C ALA A 773 0.212 -1.295 5.585 1.00 0.00 C ATOM 297 O ALA A 773 1.415 -1.421 5.814 1.00 0.00 O ATOM 298 CB ALA A 773 -1.403 -3.173 5.960 1.00 0.00 C ATOM 0 H ALA A 773 -2.827 -1.268 6.577 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.325 -2.119 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.595 -3.876 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.096 -3.613 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.932 -2.951 5.033 1.00 0.00 H new ATOM 304 N VAL A 774 -0.261 -0.638 4.528 1.00 0.00 N ATOM 305 CA VAL A 774 0.626 0.001 3.559 1.00 0.00 C ATOM 306 C VAL A 774 1.427 1.123 4.213 1.00 0.00 C ATOM 307 O VAL A 774 2.648 1.190 4.069 1.00 0.00 O ATOM 308 CB VAL A 774 -0.160 0.572 2.357 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.767 1.294 1.390 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.908 -0.536 1.643 1.00 0.00 C ATOM 0 H VAL A 774 -1.254 -0.534 4.321 1.00 0.00 H new ATOM 0 HA VAL A 774 1.307 -0.769 3.197 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.881 1.295 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.187 1.686 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.261 2.117 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.517 0.597 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.457 -0.119 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.198 -1.280 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.608 -1.007 2.334 1.00 0.00 H new ATOM 320 N THR A 775 0.735 1.991 4.941 1.00 0.00 N ATOM 321 CA THR A 775 1.386 3.095 5.634 1.00 0.00 C ATOM 322 C THR A 775 2.426 2.582 6.631 1.00 0.00 C ATOM 323 O THR A 775 3.500 3.168 6.781 1.00 0.00 O ATOM 324 CB THR A 775 0.357 3.980 6.368 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.788 4.197 5.531 1.00 0.00 O ATOM 326 CG2 THR A 775 0.967 5.320 6.750 1.00 0.00 C ATOM 0 H THR A 775 -0.276 1.951 5.067 1.00 0.00 H new ATOM 0 HA THR A 775 1.889 3.698 4.878 1.00 0.00 H new ATOM 0 HB THR A 775 0.053 3.463 7.278 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.334 3.383 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.222 5.925 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.821 5.157 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.297 5.840 5.850 1.00 0.00 H new ATOM 334 N GLN A 776 2.106 1.479 7.299 1.00 0.00 N ATOM 335 CA GLN A 776 3.021 0.863 8.251 1.00 0.00 C ATOM 336 C GLN A 776 4.238 0.291 7.533 1.00 0.00 C ATOM 337 O GLN A 776 5.375 0.517 7.945 1.00 0.00 O ATOM 338 CB GLN A 776 2.313 -0.243 9.034 1.00 0.00 C ATOM 339 CG GLN A 776 1.407 0.277 10.136 1.00 0.00 C ATOM 340 CD GLN A 776 2.071 0.248 11.495 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.475 1.284 12.025 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.187 -0.936 12.071 1.00 0.00 N ATOM 0 H GLN A 776 1.216 0.992 7.197 1.00 0.00 H new ATOM 0 HA GLN A 776 3.354 1.632 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.722 -0.845 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.062 -0.903 9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.107 1.299 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.497 -0.323 10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.839 -1.770 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.625 -1.016 12.989 1.00 0.00 H new ATOM 351 N ALA A 777 3.985 -0.437 6.452 1.00 0.00 N ATOM 352 CA ALA A 777 5.050 -1.047 5.667 1.00 0.00 C ATOM 353 C ALA A 777 5.980 0.015 5.090 1.00 0.00 C ATOM 354 O ALA A 777 7.203 -0.113 5.159 1.00 0.00 O ATOM 355 CB ALA A 777 4.462 -1.902 4.553 1.00 0.00 C ATOM 0 H ALA A 777 3.046 -0.620 6.098 1.00 0.00 H new ATOM 0 HA ALA A 777 5.636 -1.686 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.269 -2.351 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.844 -2.689 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.851 -1.279 3.900 1.00 0.00 H new ATOM 361 N LEU A 778 5.393 1.068 4.535 1.00 0.00 N ATOM 362 CA LEU A 778 6.166 2.153 3.946 1.00 0.00 C ATOM 363 C LEU A 778 6.998 2.865 5.005 1.00 0.00 C ATOM 364 O LEU A 778 8.166 3.177 4.777 1.00 0.00 O ATOM 365 CB LEU A 778 5.247 3.156 3.249 1.00 0.00 C ATOM 366 CG LEU A 778 5.970 4.311 2.556 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.346 3.926 1.137 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.107 5.560 2.563 1.00 0.00 C ATOM 0 H LEU A 778 4.382 1.193 4.481 1.00 0.00 H new ATOM 0 HA LEU A 778 6.839 1.718 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.647 2.625 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.556 3.567 3.985 1.00 0.00 H new ATOM 0 HG LEU A 778 6.886 4.526 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.860 4.759 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 778 7.004 3.058 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.444 3.684 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.638 6.372 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.174 5.360 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 778 4.889 5.846 3.592 1.00 0.00 H new ATOM 380 N ASN A 779 6.392 3.117 6.159 1.00 0.00 N ATOM 381 CA ASN A 779 7.092 3.763 7.267 1.00 0.00 C ATOM 382 C ASN A 779 8.266 2.907 7.713 1.00 0.00 C ATOM 383 O ASN A 779 9.372 3.406 7.920 1.00 0.00 O ATOM 384 CB ASN A 779 6.144 3.993 8.445 1.00 0.00 C ATOM 385 CG ASN A 779 5.598 5.407 8.492 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.308 6.353 8.839 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.330 5.559 8.146 1.00 0.00 N ATOM 0 H ASN A 779 5.418 2.885 6.354 1.00 0.00 H new ATOM 0 HA ASN A 779 7.461 4.729 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.314 3.290 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.670 3.780 9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.905 6.486 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.777 4.749 7.865 1.00 0.00 H new ATOM 394 N GLU A 780 8.012 1.608 7.834 1.00 0.00 N ATOM 395 CA GLU A 780 9.034 0.646 8.223 1.00 0.00 C ATOM 396 C GLU A 780 10.194 0.674 7.239 1.00 0.00 C ATOM 397 O GLU A 780 11.357 0.812 7.625 1.00 0.00 O ATOM 398 CB GLU A 780 8.427 -0.759 8.265 1.00 0.00 C ATOM 399 CG GLU A 780 8.705 -1.513 9.557 1.00 0.00 C ATOM 400 CD GLU A 780 10.091 -2.123 9.608 1.00 0.00 C ATOM 401 OE1 GLU A 780 10.285 -3.224 9.057 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.990 -1.514 10.221 1.00 0.00 O ATOM 0 H GLU A 780 7.095 1.195 7.666 1.00 0.00 H new ATOM 0 HA GLU A 780 9.408 0.912 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.349 -0.682 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.817 -1.338 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.584 -0.833 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.963 -2.303 9.676 1.00 0.00 H new ATOM 409 N LEU A 781 9.862 0.561 5.965 1.00 0.00 N ATOM 410 CA LEU A 781 10.859 0.544 4.910 1.00 0.00 C ATOM 411 C LEU A 781 11.623 1.862 4.852 1.00 0.00 C ATOM 412 O LEU A 781 12.834 1.871 4.642 1.00 0.00 O ATOM 413 CB LEU A 781 10.196 0.266 3.567 1.00 0.00 C ATOM 414 CG LEU A 781 11.160 0.113 2.399 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.303 -1.351 2.014 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.686 0.944 1.218 1.00 0.00 C ATOM 0 H LEU A 781 8.901 0.479 5.634 1.00 0.00 H new ATOM 0 HA LEU A 781 11.571 -0.251 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.603 -0.645 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.504 1.078 3.344 1.00 0.00 H new ATOM 0 HG LEU A 781 12.142 0.477 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.996 -1.441 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.686 -1.915 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.330 -1.748 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.383 0.827 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.696 0.608 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.639 1.994 1.507 1.00 0.00 H new ATOM 428 N LEU A 782 10.913 2.969 5.042 1.00 0.00 N ATOM 429 CA LEU A 782 11.529 4.290 5.022 1.00 0.00 C ATOM 430 C LEU A 782 12.652 4.376 6.047 1.00 0.00 C ATOM 431 O LEU A 782 13.745 4.852 5.743 1.00 0.00 O ATOM 432 CB LEU A 782 10.486 5.376 5.297 1.00 0.00 C ATOM 433 CG LEU A 782 10.035 6.169 4.069 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.884 7.097 4.425 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.201 6.954 3.487 1.00 0.00 C ATOM 0 H LEU A 782 9.907 2.977 5.212 1.00 0.00 H new ATOM 0 HA LEU A 782 11.949 4.451 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.611 4.911 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.894 6.072 6.030 1.00 0.00 H new ATOM 0 HG LEU A 782 9.683 5.467 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.577 7.653 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.043 6.509 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.205 7.795 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.864 7.513 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.583 7.647 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.993 6.265 3.193 1.00 0.00 H new ATOM 701 N ALA A 801 9.124 7.889 -4.639 1.00 0.00 N ATOM 702 CA ALA A 801 8.334 6.669 -4.528 1.00 0.00 C ATOM 703 C ALA A 801 7.583 6.627 -3.201 1.00 0.00 C ATOM 704 O ALA A 801 6.367 6.432 -3.171 1.00 0.00 O ATOM 705 CB ALA A 801 9.225 5.445 -4.677 1.00 0.00 C ATOM 0 HA ALA A 801 7.599 6.663 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.620 4.542 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.711 5.465 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.983 5.449 -3.894 1.00 0.00 H new ATOM 711 N THR A 802 8.309 6.844 -2.110 1.00 0.00 N ATOM 712 CA THR A 802 7.720 6.808 -0.778 1.00 0.00 C ATOM 713 C THR A 802 6.686 7.919 -0.614 1.00 0.00 C ATOM 714 O THR A 802 5.598 7.699 -0.076 1.00 0.00 O ATOM 715 CB THR A 802 8.800 6.947 0.311 1.00 0.00 C ATOM 716 OG1 THR A 802 9.698 8.016 -0.020 1.00 0.00 O ATOM 717 CG2 THR A 802 9.582 5.651 0.460 1.00 0.00 C ATOM 0 H THR A 802 9.309 7.047 -2.123 1.00 0.00 H new ATOM 0 HA THR A 802 7.229 5.842 -0.664 1.00 0.00 H new ATOM 0 HB THR A 802 8.306 7.169 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.536 7.905 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.340 5.770 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.902 4.846 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 802 10.065 5.407 -0.486 1.00 0.00 H new ATOM 725 N ASP A 803 7.034 9.106 -1.102 1.00 0.00 N ATOM 726 CA ASP A 803 6.141 10.257 -1.049 1.00 0.00 C ATOM 727 C ASP A 803 4.835 9.967 -1.776 1.00 0.00 C ATOM 728 O ASP A 803 3.752 10.238 -1.257 1.00 0.00 O ATOM 729 CB ASP A 803 6.811 11.477 -1.676 1.00 0.00 C ATOM 730 CG ASP A 803 6.025 12.751 -1.449 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.488 12.932 -0.342 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.952 13.585 -2.376 1.00 0.00 O ATOM 0 H ASP A 803 7.935 9.296 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 803 5.921 10.462 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.812 11.592 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.929 11.312 -2.747 1.00 0.00 H new ATOM 737 N THR A 804 4.945 9.401 -2.971 1.00 0.00 N ATOM 738 CA THR A 804 3.778 9.082 -3.778 1.00 0.00 C ATOM 739 C THR A 804 2.849 8.126 -3.035 1.00 0.00 C ATOM 740 O THR A 804 1.651 8.382 -2.926 1.00 0.00 O ATOM 741 CB THR A 804 4.185 8.467 -5.133 1.00 0.00 C ATOM 742 OG1 THR A 804 5.145 9.312 -5.781 1.00 0.00 O ATOM 743 CG2 THR A 804 2.975 8.287 -6.037 1.00 0.00 C ATOM 0 H THR A 804 5.835 9.153 -3.403 1.00 0.00 H new ATOM 0 HA THR A 804 3.248 10.015 -3.967 1.00 0.00 H new ATOM 0 HB THR A 804 4.624 7.487 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.402 8.917 -6.640 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.291 7.852 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.256 7.624 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.510 9.256 -6.219 1.00 0.00 H new ATOM 751 N ILE A 805 3.413 7.048 -2.495 1.00 0.00 N ATOM 752 CA ILE A 805 2.626 6.062 -1.764 1.00 0.00 C ATOM 753 C ILE A 805 1.878 6.715 -0.608 1.00 0.00 C ATOM 754 O ILE A 805 0.651 6.650 -0.554 1.00 0.00 O ATOM 755 CB ILE A 805 3.506 4.908 -1.234 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.831 3.940 -2.365 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.826 4.166 -0.087 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.288 3.573 -2.430 1.00 0.00 C ATOM 0 H ILE A 805 4.409 6.837 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 805 1.904 5.644 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 805 4.430 5.340 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.240 3.033 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.533 4.386 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.474 3.361 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.636 4.859 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.881 3.747 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.453 2.881 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.883 4.473 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.586 3.098 -1.495 1.00 0.00 H new ATOM 770 N LEU A 806 2.616 7.365 0.291 1.00 0.00 N ATOM 771 CA LEU A 806 2.016 7.995 1.469 1.00 0.00 C ATOM 772 C LEU A 806 0.912 8.969 1.080 1.00 0.00 C ATOM 773 O LEU A 806 -0.174 8.936 1.655 1.00 0.00 O ATOM 774 CB LEU A 806 3.069 8.729 2.299 1.00 0.00 C ATOM 775 CG LEU A 806 3.168 8.282 3.761 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.196 9.119 4.505 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.811 8.377 4.447 1.00 0.00 C ATOM 0 H LEU A 806 3.629 7.470 0.227 1.00 0.00 H new ATOM 0 HA LEU A 806 1.582 7.195 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.042 8.593 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.849 9.796 2.275 1.00 0.00 H new ATOM 0 HG LEU A 806 3.489 7.241 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.253 8.788 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.171 9.002 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.902 10.168 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.904 8.055 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.460 9.408 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.097 7.736 3.931 1.00 0.00 H new ATOM 789 N THR A 807 1.186 9.824 0.101 1.00 0.00 N ATOM 790 CA THR A 807 0.198 10.789 -0.360 1.00 0.00 C ATOM 791 C THR A 807 -1.055 10.082 -0.870 1.00 0.00 C ATOM 792 O THR A 807 -2.165 10.567 -0.688 1.00 0.00 O ATOM 793 CB THR A 807 0.771 11.700 -1.463 1.00 0.00 C ATOM 794 OG1 THR A 807 2.055 12.202 -1.062 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.161 12.870 -1.748 1.00 0.00 C ATOM 0 H THR A 807 2.081 9.868 -0.386 1.00 0.00 H new ATOM 0 HA THR A 807 -0.069 11.412 0.494 1.00 0.00 H new ATOM 0 HB THR A 807 0.872 11.107 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.755 11.583 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.269 13.496 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.129 12.492 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.291 13.461 -0.841 1.00 0.00 H new ATOM 803 N VAL A 808 -0.871 8.918 -1.481 1.00 0.00 N ATOM 804 CA VAL A 808 -1.990 8.143 -1.995 1.00 0.00 C ATOM 805 C VAL A 808 -2.763 7.469 -0.860 1.00 0.00 C ATOM 806 O VAL A 808 -3.992 7.533 -0.818 1.00 0.00 O ATOM 807 CB VAL A 808 -1.522 7.080 -3.009 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.624 6.075 -3.284 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.071 7.740 -4.302 1.00 0.00 C ATOM 0 H VAL A 808 0.043 8.491 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.653 8.841 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.675 6.548 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.271 5.335 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.901 5.576 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.493 6.591 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.744 6.975 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.901 8.300 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.244 8.419 -4.095 1.00 0.00 H new ATOM 819 N THR A 809 -2.051 6.834 0.067 1.00 0.00 N ATOM 820 CA THR A 809 -2.703 6.183 1.199 1.00 0.00 C ATOM 821 C THR A 809 -3.432 7.218 2.047 1.00 0.00 C ATOM 822 O THR A 809 -4.576 7.013 2.460 1.00 0.00 O ATOM 823 CB THR A 809 -1.698 5.415 2.080 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.471 5.214 1.372 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.270 4.070 2.496 1.00 0.00 C ATOM 0 H THR A 809 -1.034 6.757 0.058 1.00 0.00 H new ATOM 0 HA THR A 809 -3.415 5.463 0.794 1.00 0.00 H new ATOM 0 HB THR A 809 -1.505 6.009 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.160 4.727 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.546 3.543 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.189 4.225 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.486 3.476 1.608 1.00 0.00 H new ATOM 833 N GLU A 810 -2.766 8.342 2.274 1.00 0.00 N ATOM 834 CA GLU A 810 -3.358 9.461 2.987 1.00 0.00 C ATOM 835 C GLU A 810 -4.547 10.010 2.196 1.00 0.00 C ATOM 836 O GLU A 810 -5.569 10.391 2.770 1.00 0.00 O ATOM 837 CB GLU A 810 -2.290 10.541 3.222 1.00 0.00 C ATOM 838 CG GLU A 810 -2.845 11.907 3.589 1.00 0.00 C ATOM 839 CD GLU A 810 -2.176 12.487 4.816 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.136 13.163 4.669 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.680 12.261 5.936 1.00 0.00 O ATOM 0 H GLU A 810 -1.805 8.502 1.970 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.727 9.130 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.624 10.208 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.686 10.639 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.712 12.589 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.917 11.825 3.767 1.00 0.00 H new ATOM 848 N ASN A 811 -4.415 10.016 0.872 1.00 0.00 N ATOM 849 CA ASN A 811 -5.488 10.458 -0.016 1.00 0.00 C ATOM 850 C ASN A 811 -6.721 9.586 0.153 1.00 0.00 C ATOM 851 O ASN A 811 -7.827 10.094 0.283 1.00 0.00 O ATOM 852 CB ASN A 811 -5.042 10.406 -1.478 1.00 0.00 C ATOM 853 CG ASN A 811 -4.870 11.777 -2.095 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.214 12.796 -1.492 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.346 11.808 -3.311 1.00 0.00 N ATOM 0 H ASN A 811 -3.569 9.717 0.387 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.730 11.486 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.099 9.863 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.775 9.844 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.213 12.701 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.076 10.939 -3.772 1.00 0.00 H new ATOM 862 N ILE A 812 -6.527 8.272 0.150 1.00 0.00 N ATOM 863 CA ILE A 812 -7.637 7.335 0.282 1.00 0.00 C ATOM 864 C ILE A 812 -8.281 7.447 1.663 1.00 0.00 C ATOM 865 O ILE A 812 -9.499 7.353 1.796 1.00 0.00 O ATOM 866 CB ILE A 812 -7.190 5.877 0.014 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.040 5.648 -1.491 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.177 4.874 0.603 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.749 4.961 -1.876 1.00 0.00 C ATOM 0 H ILE A 812 -5.612 7.831 0.058 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.377 7.601 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.228 5.723 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.879 5.049 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.097 6.609 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.833 3.861 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.246 5.021 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.159 5.022 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.714 4.833 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.903 5.569 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.698 3.985 -1.393 1.00 0.00 H new ATOM 881 N PHE A 813 -7.462 7.673 2.682 1.00 0.00 N ATOM 882 CA PHE A 813 -7.976 7.896 4.030 1.00 0.00 C ATOM 883 C PHE A 813 -8.902 9.113 4.050 1.00 0.00 C ATOM 884 O PHE A 813 -9.857 9.175 4.827 1.00 0.00 O ATOM 885 CB PHE A 813 -6.823 8.103 5.015 1.00 0.00 C ATOM 886 CG PHE A 813 -6.315 6.830 5.630 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.193 5.909 6.178 1.00 0.00 C ATOM 888 CD2 PHE A 813 -4.958 6.557 5.660 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.726 4.739 6.745 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.484 5.388 6.224 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.370 4.479 6.767 1.00 0.00 C ATOM 0 H PHE A 813 -6.446 7.707 2.604 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.542 7.015 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.001 8.599 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.152 8.773 5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.254 6.108 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.262 7.266 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.420 4.029 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.423 5.186 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.003 3.565 7.209 1.00 0.00 H new ATOM 901 N SER A 814 -8.615 10.065 3.173 1.00 0.00 N ATOM 902 CA SER A 814 -9.400 11.287 3.071 1.00 0.00 C ATOM 903 C SER A 814 -10.576 11.107 2.108 1.00 0.00 C ATOM 904 O SER A 814 -11.657 11.652 2.326 1.00 0.00 O ATOM 905 CB SER A 814 -8.499 12.430 2.602 1.00 0.00 C ATOM 906 OG SER A 814 -7.237 12.380 3.256 1.00 0.00 O ATOM 0 H SER A 814 -7.836 10.013 2.516 1.00 0.00 H new ATOM 0 HA SER A 814 -9.808 11.525 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.357 12.368 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.981 13.386 2.805 1.00 0.00 H new ATOM 0 HG SER A 814 -6.669 11.711 2.820 1.00 0.00 H new ATOM 912 N SER A 815 -10.366 10.324 1.057 1.00 0.00 N ATOM 913 CA SER A 815 -11.390 10.104 0.045 1.00 0.00 C ATOM 914 C SER A 815 -12.359 9.009 0.475 1.00 0.00 C ATOM 915 O SER A 815 -13.310 8.706 -0.241 1.00 0.00 O ATOM 916 CB SER A 815 -10.742 9.733 -1.293 1.00 0.00 C ATOM 917 OG SER A 815 -9.799 8.693 -1.132 1.00 0.00 O ATOM 0 H SER A 815 -9.491 9.829 0.884 1.00 0.00 H new ATOM 0 HA SER A 815 -11.951 11.031 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.512 9.423 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.252 10.609 -1.718 1.00 0.00 H new ATOM 0 HG SER A 815 -8.988 9.049 -0.712 1.00 0.00 H new ATOM 923 N MET A 816 -12.095 8.418 1.642 1.00 0.00 N ATOM 924 CA MET A 816 -12.942 7.370 2.210 1.00 0.00 C ATOM 925 C MET A 816 -14.408 7.776 2.151 1.00 0.00 C ATOM 926 O MET A 816 -14.847 8.670 2.875 1.00 0.00 O ATOM 927 CB MET A 816 -12.538 7.088 3.659 1.00 0.00 C ATOM 928 CG MET A 816 -11.964 5.697 3.870 1.00 0.00 C ATOM 929 SD MET A 816 -10.899 5.597 5.323 1.00 0.00 S ATOM 930 CE MET A 816 -10.231 3.948 5.130 1.00 0.00 C ATOM 0 H MET A 816 -11.288 8.653 2.219 1.00 0.00 H new ATOM 0 HA MET A 816 -12.806 6.463 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.801 7.828 3.973 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.409 7.214 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 816 -12.781 4.983 3.974 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.396 5.405 2.987 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.559 3.323 5.961 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.584 3.520 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.142 3.995 5.120 1.00 0.00 H new ATOM 940 N GLY A 817 -15.145 7.127 1.268 1.00 0.00 N ATOM 941 CA GLY A 817 -16.520 7.496 1.025 1.00 0.00 C ATOM 942 C GLY A 817 -16.784 7.624 -0.457 1.00 0.00 C ATOM 943 O GLY A 817 -17.785 7.121 -0.969 1.00 0.00 O ATOM 0 H GLY A 817 -14.811 6.342 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.184 6.746 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.742 8.440 1.522 1.00 0.00 H new ATOM 947 N ASP A 818 -15.863 8.282 -1.152 1.00 0.00 N ATOM 948 CA ASP A 818 -15.928 8.384 -2.602 1.00 0.00 C ATOM 949 C ASP A 818 -15.233 7.186 -3.221 1.00 0.00 C ATOM 950 O ASP A 818 -14.010 7.169 -3.376 1.00 0.00 O ATOM 951 CB ASP A 818 -15.286 9.678 -3.109 1.00 0.00 C ATOM 952 CG ASP A 818 -15.473 9.857 -4.607 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.634 9.851 -5.072 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.467 9.998 -5.330 1.00 0.00 O ATOM 0 H ASP A 818 -15.062 8.753 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.978 8.401 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.722 10.529 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.221 9.671 -2.875 1.00 0.00 H new ATOM 959 N ALA A 819 -16.025 6.179 -3.554 1.00 0.00 N ATOM 960 CA ALA A 819 -15.510 4.934 -4.106 1.00 0.00 C ATOM 961 C ALA A 819 -14.677 5.182 -5.356 1.00 0.00 C ATOM 962 O ALA A 819 -13.640 4.550 -5.553 1.00 0.00 O ATOM 963 CB ALA A 819 -16.661 3.998 -4.422 1.00 0.00 C ATOM 0 H ALA A 819 -17.039 6.200 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.862 4.474 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.271 3.068 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.218 3.785 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.323 4.468 -5.149 1.00 0.00 H new ATOM 969 N GLY A 820 -15.134 6.112 -6.190 1.00 0.00 N ATOM 970 CA GLY A 820 -14.426 6.430 -7.415 1.00 0.00 C ATOM 971 C GLY A 820 -12.979 6.822 -7.170 1.00 0.00 C ATOM 972 O GLY A 820 -12.065 6.210 -7.730 1.00 0.00 O ATOM 0 H GLY A 820 -15.986 6.652 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.457 5.568 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.938 7.246 -7.925 1.00 0.00 H new ATOM 976 N GLU A 821 -12.768 7.827 -6.324 1.00 0.00 N ATOM 977 CA GLU A 821 -11.423 8.288 -6.003 1.00 0.00 C ATOM 978 C GLU A 821 -10.639 7.208 -5.280 1.00 0.00 C ATOM 979 O GLU A 821 -9.467 6.984 -5.571 1.00 0.00 O ATOM 980 CB GLU A 821 -11.471 9.547 -5.137 1.00 0.00 C ATOM 981 CG GLU A 821 -10.278 10.467 -5.339 1.00 0.00 C ATOM 982 CD GLU A 821 -10.005 10.740 -6.802 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.949 11.132 -7.522 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.851 10.561 -7.239 1.00 0.00 O ATOM 0 H GLU A 821 -13.513 8.337 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.923 8.521 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.386 10.097 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.521 9.255 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.458 11.410 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.395 10.018 -4.884 1.00 0.00 H new ATOM 991 N MET A 822 -11.297 6.536 -4.347 1.00 0.00 N ATOM 992 CA MET A 822 -10.655 5.497 -3.555 1.00 0.00 C ATOM 993 C MET A 822 -10.061 4.415 -4.451 1.00 0.00 C ATOM 994 O MET A 822 -8.915 4.007 -4.268 1.00 0.00 O ATOM 995 CB MET A 822 -11.655 4.883 -2.582 1.00 0.00 C ATOM 996 CG MET A 822 -11.760 5.631 -1.263 1.00 0.00 C ATOM 997 SD MET A 822 -13.010 4.929 -0.170 1.00 0.00 S ATOM 998 CE MET A 822 -12.797 3.185 -0.511 1.00 0.00 C ATOM 0 H MET A 822 -12.279 6.692 -4.119 1.00 0.00 H new ATOM 0 HA MET A 822 -9.843 5.954 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.637 4.855 -3.053 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.368 3.851 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.792 5.614 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.999 6.676 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.369 2.601 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.151 2.965 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.741 2.925 -0.433 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.837 3.967 -5.431 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.368 2.963 -6.377 1.00 0.00 C ATOM 1010 C VAL A 823 -9.293 3.550 -7.291 1.00 0.00 C ATOM 1011 O VAL A 823 -8.286 2.902 -7.578 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.525 2.406 -7.235 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -11.002 1.460 -8.305 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.547 1.701 -6.358 1.00 0.00 C ATOM 0 H VAL A 823 -11.793 4.283 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.945 2.143 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 823 -12.012 3.245 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.836 1.082 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.310 1.994 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.485 0.626 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.355 1.315 -6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -12.067 0.875 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.952 2.406 -5.633 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.513 4.785 -7.731 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.567 5.477 -8.604 1.00 0.00 C ATOM 1026 C ARG A 824 -7.197 5.582 -7.945 1.00 0.00 C ATOM 1027 O ARG A 824 -6.191 5.155 -8.511 1.00 0.00 O ATOM 1028 CB ARG A 824 -9.092 6.873 -8.949 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.313 7.564 -10.055 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.634 8.826 -9.550 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.278 9.731 -10.639 1.00 0.00 N ATOM 1032 CZ ARG A 824 -7.492 11.045 -10.614 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.031 11.616 -9.542 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -7.170 11.794 -11.662 1.00 0.00 N ATOM 0 H ARG A 824 -10.342 5.331 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.463 4.898 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -10.137 6.794 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -9.062 7.494 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.564 6.881 -10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.986 7.814 -10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.297 9.340 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.736 8.556 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.839 9.333 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.283 11.047 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.193 12.623 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.757 11.363 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.335 12.800 -11.640 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.170 6.134 -6.739 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.922 6.327 -6.016 1.00 0.00 C ATOM 1050 C GLN A 825 -5.274 4.991 -5.674 1.00 0.00 C ATOM 1051 O GLN A 825 -4.053 4.874 -5.666 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.157 7.146 -4.747 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.831 8.485 -5.002 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.858 9.565 -5.434 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.690 9.562 -5.042 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.336 10.500 -6.241 1.00 0.00 N ATOM 0 H GLN A 825 -8.000 6.456 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.241 6.878 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.771 6.565 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.200 7.318 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.593 8.361 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.343 8.806 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.310 10.465 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.730 11.255 -6.562 1.00 0.00 H new ATOM 1065 N ALA A 826 -6.096 3.979 -5.411 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.594 2.644 -5.093 1.00 0.00 C ATOM 1067 C ALA A 826 -4.707 2.106 -6.214 1.00 0.00 C ATOM 1068 O ALA A 826 -3.688 1.463 -5.959 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.748 1.692 -4.824 1.00 0.00 C ATOM 0 H ALA A 826 -7.113 4.057 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.986 2.720 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.356 0.702 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.334 2.060 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.382 1.630 -5.708 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.087 2.384 -7.457 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.300 1.957 -8.610 1.00 0.00 C ATOM 1077 C ARG A 827 -2.977 2.711 -8.652 1.00 0.00 C ATOM 1078 O ARG A 827 -1.931 2.150 -8.983 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.069 2.194 -9.907 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.454 1.579 -9.916 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.412 2.407 -10.752 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.633 1.675 -11.074 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.752 0.835 -12.100 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.722 0.608 -12.909 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.902 0.218 -12.315 1.00 0.00 N ATOM 0 H ARG A 827 -5.934 2.902 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.102 0.890 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.157 3.267 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.495 1.786 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.403 0.565 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.829 1.503 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.668 3.319 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.918 2.711 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 827 -9.447 1.816 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.832 1.079 -12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -7.822 -0.037 -13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -10.695 0.386 -11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -9.996 -0.426 -13.100 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.038 3.990 -8.305 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.848 4.826 -8.227 1.00 0.00 C ATOM 1101 C ILE A 828 -0.915 4.303 -7.136 1.00 0.00 C ATOM 1102 O ILE A 828 0.307 4.293 -7.295 1.00 0.00 O ATOM 1103 CB ILE A 828 -2.227 6.300 -7.949 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -3.176 6.808 -9.039 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.989 7.183 -7.871 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -4.178 7.828 -8.549 1.00 0.00 C ATOM 0 H ILE A 828 -3.905 4.473 -8.072 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.333 4.784 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.731 6.347 -6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.587 7.248 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.713 5.960 -9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -1.288 8.213 -7.675 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.343 6.833 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.449 7.136 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.814 8.140 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.793 7.386 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.650 8.694 -8.151 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.511 3.842 -6.039 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.763 3.220 -4.953 1.00 0.00 C ATOM 1120 C LEU A 829 -0.043 1.973 -5.457 1.00 0.00 C ATOM 1121 O LEU A 829 1.156 1.808 -5.240 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.714 2.849 -3.805 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.053 2.402 -2.494 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.238 3.168 -2.242 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.013 2.587 -1.328 1.00 0.00 C ATOM 0 H LEU A 829 -2.517 3.889 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.022 3.930 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.347 3.711 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.369 2.049 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.806 1.344 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.685 2.831 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.934 2.988 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.022 4.234 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.530 2.266 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.288 3.639 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.909 1.989 -1.496 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.783 1.118 -6.156 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.232 -0.119 -6.695 1.00 0.00 C ATOM 1139 C ALA A 830 0.963 0.156 -7.601 1.00 0.00 C ATOM 1140 O ALA A 830 1.995 -0.509 -7.497 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.302 -0.892 -7.451 1.00 0.00 C ATOM 0 H ALA A 830 -1.771 1.261 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 830 0.114 -0.724 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.874 -1.813 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.122 -1.134 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.678 -0.283 -8.274 1.00 0.00 H new ATOM 1147 N GLN A 831 0.822 1.143 -8.478 1.00 0.00 N ATOM 1148 CA GLN A 831 1.886 1.506 -9.408 1.00 0.00 C ATOM 1149 C GLN A 831 3.123 2.002 -8.660 1.00 0.00 C ATOM 1150 O GLN A 831 4.251 1.619 -8.983 1.00 0.00 O ATOM 1151 CB GLN A 831 1.394 2.584 -10.377 1.00 0.00 C ATOM 1152 CG GLN A 831 2.104 2.566 -11.722 1.00 0.00 C ATOM 1153 CD GLN A 831 1.730 1.366 -12.571 1.00 0.00 C ATOM 1154 OE1 GLN A 831 0.793 0.630 -12.257 1.00 0.00 O ATOM 1155 NE2 GLN A 831 2.464 1.156 -13.654 1.00 0.00 N ATOM 0 H GLN A 831 -0.022 1.709 -8.565 1.00 0.00 H new ATOM 0 HA GLN A 831 2.162 0.615 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.324 2.454 -10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.530 3.563 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.863 3.479 -12.266 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.182 2.567 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 831 3.232 1.788 -13.880 1.00 0.00 H new ATOM 0 HE22 GLN A 831 2.261 0.362 -14.261 1.00 0.00 H new ATOM 1164 N ALA A 832 2.902 2.835 -7.651 1.00 0.00 N ATOM 1165 CA ALA A 832 3.994 3.418 -6.884 1.00 0.00 C ATOM 1166 C ALA A 832 4.786 2.345 -6.139 1.00 0.00 C ATOM 1167 O ALA A 832 6.014 2.295 -6.229 1.00 0.00 O ATOM 1168 CB ALA A 832 3.459 4.455 -5.910 1.00 0.00 C ATOM 0 H ALA A 832 1.973 3.122 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 832 4.672 3.907 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.286 4.883 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.951 5.245 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.756 3.982 -5.225 1.00 0.00 H new ATOM 1174 N THR A 833 4.083 1.480 -5.417 1.00 0.00 N ATOM 1175 CA THR A 833 4.736 0.425 -4.657 1.00 0.00 C ATOM 1176 C THR A 833 5.428 -0.584 -5.574 1.00 0.00 C ATOM 1177 O THR A 833 6.460 -1.150 -5.215 1.00 0.00 O ATOM 1178 CB THR A 833 3.742 -0.312 -3.740 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.784 0.613 -3.216 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.473 -0.991 -2.593 1.00 0.00 C ATOM 0 H THR A 833 3.066 1.489 -5.343 1.00 0.00 H new ATOM 0 HA THR A 833 5.490 0.911 -4.038 1.00 0.00 H new ATOM 0 HB THR A 833 3.230 -1.073 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.156 0.869 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.753 -1.506 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.186 -1.713 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.005 -0.242 -2.006 1.00 0.00 H new ATOM 1188 N SER A 834 4.869 -0.794 -6.762 1.00 0.00 N ATOM 1189 CA SER A 834 5.460 -1.711 -7.728 1.00 0.00 C ATOM 1190 C SER A 834 6.856 -1.239 -8.130 1.00 0.00 C ATOM 1191 O SER A 834 7.775 -2.047 -8.289 1.00 0.00 O ATOM 1192 CB SER A 834 4.564 -1.836 -8.961 1.00 0.00 C ATOM 1193 OG SER A 834 3.339 -2.477 -8.635 1.00 0.00 O ATOM 0 H SER A 834 4.010 -0.343 -7.077 1.00 0.00 H new ATOM 0 HA SER A 834 5.549 -2.692 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.363 -0.846 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.081 -2.403 -9.735 1.00 0.00 H new ATOM 0 HG SER A 834 2.856 -1.942 -7.971 1.00 0.00 H new ATOM 1199 N ASP A 835 7.014 0.072 -8.272 1.00 0.00 N ATOM 1200 CA ASP A 835 8.311 0.648 -8.603 1.00 0.00 C ATOM 1201 C ASP A 835 9.206 0.676 -7.371 1.00 0.00 C ATOM 1202 O ASP A 835 10.404 0.403 -7.455 1.00 0.00 O ATOM 1203 CB ASP A 835 8.158 2.064 -9.161 1.00 0.00 C ATOM 1204 CG ASP A 835 9.468 2.616 -9.689 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.134 1.919 -10.491 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.845 3.743 -9.305 1.00 0.00 O ATOM 0 H ASP A 835 6.263 0.754 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 835 8.770 0.022 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.419 2.059 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.777 2.722 -8.379 1.00 0.00 H new ATOM 1211 N LEU A 836 8.612 0.999 -6.226 1.00 0.00 N ATOM 1212 CA LEU A 836 9.344 1.064 -4.966 1.00 0.00 C ATOM 1213 C LEU A 836 9.969 -0.286 -4.627 1.00 0.00 C ATOM 1214 O LEU A 836 11.172 -0.377 -4.390 1.00 0.00 O ATOM 1215 CB LEU A 836 8.407 1.511 -3.836 1.00 0.00 C ATOM 1216 CG LEU A 836 8.926 1.289 -2.411 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.002 2.309 -2.071 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.782 1.368 -1.413 1.00 0.00 C ATOM 0 H LEU A 836 7.620 1.221 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 836 10.147 1.793 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.195 2.573 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.460 0.982 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 836 9.366 0.294 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.359 2.137 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.833 2.208 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.587 3.314 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.166 1.208 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.315 2.351 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.043 0.601 -1.645 1.00 0.00 H new ATOM 1230 N VAL A 837 9.151 -1.333 -4.646 1.00 0.00 N ATOM 1231 CA VAL A 837 9.603 -2.669 -4.279 1.00 0.00 C ATOM 1232 C VAL A 837 10.690 -3.158 -5.230 1.00 0.00 C ATOM 1233 O VAL A 837 11.705 -3.701 -4.796 1.00 0.00 O ATOM 1234 CB VAL A 837 8.427 -3.673 -4.264 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.923 -5.110 -4.166 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.479 -3.357 -3.117 1.00 0.00 C ATOM 0 H VAL A 837 8.168 -1.281 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 837 10.019 -2.607 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 837 7.888 -3.572 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.071 -5.789 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.558 -5.335 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.496 -5.235 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.656 -4.071 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.017 -3.425 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.084 -2.348 -3.239 1.00 0.00 H new ATOM 1246 N ASN A 838 10.486 -2.936 -6.523 1.00 0.00 N ATOM 1247 CA ASN A 838 11.438 -3.383 -7.535 1.00 0.00 C ATOM 1248 C ASN A 838 12.784 -2.682 -7.370 1.00 0.00 C ATOM 1249 O ASN A 838 13.837 -3.285 -7.584 1.00 0.00 O ATOM 1250 CB ASN A 838 10.890 -3.136 -8.942 1.00 0.00 C ATOM 1251 CG ASN A 838 11.641 -3.930 -9.993 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.791 -5.148 -9.878 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.119 -3.251 -11.022 1.00 0.00 N ATOM 0 H ASN A 838 9.671 -2.450 -6.896 1.00 0.00 H new ATOM 0 HA ASN A 838 11.587 -4.454 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.834 -3.404 -8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.956 -2.073 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.633 -3.735 -11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.973 -2.243 -11.080 1.00 0.00 H new ATOM 1260 N ALA A 839 12.742 -1.414 -6.975 1.00 0.00 N ATOM 1261 CA ALA A 839 13.954 -0.634 -6.761 1.00 0.00 C ATOM 1262 C ALA A 839 14.798 -1.233 -5.639 1.00 0.00 C ATOM 1263 O ALA A 839 16.000 -1.453 -5.800 1.00 0.00 O ATOM 1264 CB ALA A 839 13.604 0.812 -6.450 1.00 0.00 C ATOM 0 H ALA A 839 11.877 -0.903 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 839 14.543 -0.661 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.520 1.382 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.049 1.240 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.992 0.853 -5.549 1.00 0.00 H new ATOM 1270 N ILE A 840 14.158 -1.510 -4.508 1.00 0.00 N ATOM 1271 CA ILE A 840 14.849 -2.109 -3.370 1.00 0.00 C ATOM 1272 C ILE A 840 15.269 -3.537 -3.691 1.00 0.00 C ATOM 1273 O ILE A 840 16.341 -3.988 -3.285 1.00 0.00 O ATOM 1274 CB ILE A 840 13.969 -2.121 -2.102 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.250 -0.786 -1.937 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.809 -2.427 -0.871 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.838 -0.925 -1.421 1.00 0.00 C ATOM 0 H ILE A 840 13.166 -1.331 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 840 15.729 -1.495 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 840 13.220 -2.905 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.819 -0.158 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.229 -0.272 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.171 -2.431 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.278 -3.404 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.580 -1.665 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.386 0.062 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.254 -1.527 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.853 -1.411 -0.445 1.00 0.00 H new ATOM 1289 N LYS A 841 14.417 -4.238 -4.434 1.00 0.00 N ATOM 1290 CA LYS A 841 14.692 -5.610 -4.837 1.00 0.00 C ATOM 1291 C LYS A 841 15.996 -5.690 -5.617 1.00 0.00 C ATOM 1292 O LYS A 841 16.766 -6.635 -5.460 1.00 0.00 O ATOM 1293 CB LYS A 841 13.543 -6.161 -5.684 1.00 0.00 C ATOM 1294 CG LYS A 841 12.941 -7.444 -5.133 1.00 0.00 C ATOM 1295 CD LYS A 841 13.617 -8.674 -5.717 1.00 0.00 C ATOM 1296 CE LYS A 841 14.467 -9.385 -4.678 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.587 -10.142 -5.294 1.00 0.00 N ATOM 0 H LYS A 841 13.525 -3.874 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 841 14.787 -6.215 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.761 -5.405 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.904 -6.344 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.038 -7.455 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 841 11.875 -7.472 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.861 -9.359 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.241 -8.382 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.867 -8.654 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.841 -10.068 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.140 -10.611 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.206 -10.858 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 16.200 -9.488 -5.820 1.00 0.00 H new ATOM 1508 N LEU A 856 15.427 -6.070 4.156 1.00 0.00 N ATOM 1509 CA LEU A 856 14.990 -5.116 3.157 1.00 0.00 C ATOM 1510 C LEU A 856 13.969 -5.716 2.210 1.00 0.00 C ATOM 1511 O LEU A 856 12.901 -5.151 1.976 1.00 0.00 O ATOM 1512 CB LEU A 856 16.215 -4.687 2.362 1.00 0.00 C ATOM 1513 CG LEU A 856 16.932 -3.458 2.912 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.092 -3.069 2.011 1.00 0.00 C ATOM 1515 CD2 LEU A 856 15.966 -2.293 3.070 1.00 0.00 C ATOM 0 HA LEU A 856 14.516 -4.271 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.920 -5.518 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.912 -4.485 1.334 1.00 0.00 H new ATOM 0 HG LEU A 856 17.328 -3.708 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.591 -2.190 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.801 -3.895 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.717 -2.842 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.500 -1.428 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.536 -2.043 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.169 -2.572 3.760 1.00 0.00 H new ATOM 1527 N LEU A 857 14.305 -6.873 1.688 1.00 0.00 N ATOM 1528 CA LEU A 857 13.488 -7.529 0.692 1.00 0.00 C ATOM 1529 C LEU A 857 12.255 -8.177 1.308 1.00 0.00 C ATOM 1530 O LEU A 857 11.215 -8.286 0.656 1.00 0.00 O ATOM 1531 CB LEU A 857 14.349 -8.523 -0.067 1.00 0.00 C ATOM 1532 CG LEU A 857 15.647 -7.908 -0.593 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.778 -8.923 -0.546 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.449 -7.398 -2.008 1.00 0.00 C ATOM 0 H LEU A 857 15.150 -7.385 1.941 1.00 0.00 H new ATOM 0 HA LEU A 857 13.106 -6.788 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.589 -9.361 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.778 -8.925 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 857 15.917 -7.067 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.693 -8.466 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.933 -9.248 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.520 -9.784 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.380 -6.963 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.158 -8.225 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.666 -6.639 -2.015 1.00 0.00 H new ATOM 1546 N SER A 858 12.360 -8.594 2.563 1.00 0.00 N ATOM 1547 CA SER A 858 11.206 -9.115 3.281 1.00 0.00 C ATOM 1548 C SER A 858 10.254 -7.977 3.634 1.00 0.00 C ATOM 1549 O SER A 858 9.039 -8.161 3.675 1.00 0.00 O ATOM 1550 CB SER A 858 11.645 -9.865 4.540 1.00 0.00 C ATOM 1551 OG SER A 858 12.665 -10.802 4.238 1.00 0.00 O ATOM 0 H SER A 858 13.226 -8.582 3.101 1.00 0.00 H new ATOM 0 HA SER A 858 10.682 -9.821 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.006 -9.155 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.790 -10.380 4.979 1.00 0.00 H new ATOM 0 HG SER A 858 12.933 -11.269 5.057 1.00 0.00 H new ATOM 1557 N ALA A 859 10.814 -6.792 3.872 1.00 0.00 N ATOM 1558 CA ALA A 859 10.010 -5.601 4.108 1.00 0.00 C ATOM 1559 C ALA A 859 9.308 -5.187 2.822 1.00 0.00 C ATOM 1560 O ALA A 859 8.120 -4.867 2.824 1.00 0.00 O ATOM 1561 CB ALA A 859 10.871 -4.464 4.638 1.00 0.00 C ATOM 0 H ALA A 859 11.821 -6.634 3.906 1.00 0.00 H new ATOM 0 HA ALA A 859 9.258 -5.832 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.249 -3.585 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.335 -4.766 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.647 -4.225 3.910 1.00 0.00 H new ATOM 1567 N ALA A 860 10.053 -5.214 1.719 1.00 0.00 N ATOM 1568 CA ALA A 860 9.492 -4.929 0.403 1.00 0.00 C ATOM 1569 C ALA A 860 8.405 -5.941 0.056 1.00 0.00 C ATOM 1570 O ALA A 860 7.432 -5.618 -0.627 1.00 0.00 O ATOM 1571 CB ALA A 860 10.586 -4.933 -0.654 1.00 0.00 C ATOM 0 H ALA A 860 11.050 -5.431 1.712 1.00 0.00 H new ATOM 0 HA ALA A 860 9.042 -3.937 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.150 -4.719 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.328 -4.172 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.065 -5.912 -0.678 1.00 0.00 H new ATOM 1577 N LYS A 861 8.576 -7.166 0.545 1.00 0.00 N ATOM 1578 CA LYS A 861 7.579 -8.211 0.366 1.00 0.00 C ATOM 1579 C LYS A 861 6.249 -7.790 0.987 1.00 0.00 C ATOM 1580 O LYS A 861 5.188 -8.036 0.420 1.00 0.00 O ATOM 1581 CB LYS A 861 8.061 -9.523 0.990 1.00 0.00 C ATOM 1582 CG LYS A 861 7.408 -10.760 0.397 1.00 0.00 C ATOM 1583 CD LYS A 861 8.412 -11.602 -0.375 1.00 0.00 C ATOM 1584 CE LYS A 861 8.031 -11.721 -1.843 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.959 -13.138 -2.293 1.00 0.00 N ATOM 0 H LYS A 861 9.400 -7.458 1.070 1.00 0.00 H new ATOM 0 HA LYS A 861 7.432 -8.367 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.141 -9.599 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.865 -9.498 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.967 -11.358 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.595 -10.462 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.403 -11.156 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.471 -12.596 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 861 7.066 -11.240 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.761 -11.185 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 7.696 -13.170 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.886 -13.591 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.244 -13.644 -1.732 1.00 0.00 H new ATOM 1599 N ILE A 862 6.316 -7.150 2.152 1.00 0.00 N ATOM 1600 CA ILE A 862 5.116 -6.645 2.817 1.00 0.00 C ATOM 1601 C ILE A 862 4.586 -5.417 2.092 1.00 0.00 C ATOM 1602 O ILE A 862 3.377 -5.222 1.993 1.00 0.00 O ATOM 1603 CB ILE A 862 5.365 -6.269 4.294 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.379 -7.211 4.941 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.058 -6.293 5.073 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.125 -6.584 6.100 1.00 0.00 C ATOM 0 H ILE A 862 7.185 -6.969 2.654 1.00 0.00 H new ATOM 0 HA ILE A 862 4.388 -7.455 2.788 1.00 0.00 H new ATOM 0 HB ILE A 862 5.776 -5.260 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.862 -8.104 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.097 -7.533 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.249 -6.026 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.361 -5.577 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.626 -7.293 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.829 -7.307 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.669 -5.707 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.415 -6.287 6.872 1.00 0.00 H new ATOM 1618 N LEU A 863 5.504 -4.592 1.595 1.00 0.00 N ATOM 1619 CA LEU A 863 5.146 -3.386 0.856 1.00 0.00 C ATOM 1620 C LEU A 863 4.171 -3.714 -0.274 1.00 0.00 C ATOM 1621 O LEU A 863 3.069 -3.168 -0.335 1.00 0.00 O ATOM 1622 CB LEU A 863 6.405 -2.724 0.278 1.00 0.00 C ATOM 1623 CG LEU A 863 6.840 -1.412 0.943 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.649 -0.485 1.140 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.532 -1.690 2.273 1.00 0.00 C ATOM 0 H LEU A 863 6.509 -4.739 1.692 1.00 0.00 H new ATOM 0 HA LEU A 863 4.662 -2.695 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.229 -3.434 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.237 -2.533 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 863 7.551 -0.914 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.981 0.439 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 863 5.202 -0.257 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.910 -0.972 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.834 -0.748 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.845 -2.213 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.413 -2.309 2.102 1.00 0.00 H new ATOM 1637 N ALA A 864 4.574 -4.624 -1.151 1.00 0.00 N ATOM 1638 CA ALA A 864 3.741 -5.016 -2.283 1.00 0.00 C ATOM 1639 C ALA A 864 2.506 -5.783 -1.819 1.00 0.00 C ATOM 1640 O ALA A 864 1.403 -5.566 -2.325 1.00 0.00 O ATOM 1641 CB ALA A 864 4.543 -5.848 -3.270 1.00 0.00 C ATOM 0 H ALA A 864 5.472 -5.105 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 864 3.405 -4.108 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.907 -6.132 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.387 -5.264 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.912 -6.746 -2.774 1.00 0.00 H new ATOM 1647 N ASP A 865 2.699 -6.664 -0.844 1.00 0.00 N ATOM 1648 CA ASP A 865 1.615 -7.489 -0.309 1.00 0.00 C ATOM 1649 C ASP A 865 0.487 -6.623 0.243 1.00 0.00 C ATOM 1650 O ASP A 865 -0.678 -6.783 -0.132 1.00 0.00 O ATOM 1651 CB ASP A 865 2.152 -8.406 0.792 1.00 0.00 C ATOM 1652 CG ASP A 865 1.058 -9.063 1.610 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.532 -10.106 1.176 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.739 -8.550 2.703 1.00 0.00 O ATOM 0 H ASP A 865 3.604 -6.828 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 865 1.215 -8.094 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.773 -9.180 0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.795 -7.828 1.456 1.00 0.00 H new ATOM 1659 N ALA A 866 0.845 -5.693 1.118 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.123 -4.797 1.728 1.00 0.00 C ATOM 1661 C ALA A 866 -0.812 -3.943 0.673 1.00 0.00 C ATOM 1662 O ALA A 866 -2.004 -3.666 0.774 1.00 0.00 O ATOM 1663 CB ALA A 866 0.548 -3.915 2.768 1.00 0.00 C ATOM 0 H ALA A 866 1.807 -5.540 1.422 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.881 -5.404 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.192 -3.251 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.990 -4.540 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.329 -3.321 2.292 1.00 0.00 H new ATOM 1669 N THR A 867 -0.061 -3.544 -0.347 1.00 0.00 N ATOM 1670 CA THR A 867 -0.612 -2.724 -1.414 1.00 0.00 C ATOM 1671 C THR A 867 -1.615 -3.513 -2.258 1.00 0.00 C ATOM 1672 O THR A 867 -2.605 -2.958 -2.730 1.00 0.00 O ATOM 1673 CB THR A 867 0.496 -2.149 -2.318 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.453 -1.439 -1.520 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.085 -1.206 -3.360 1.00 0.00 C ATOM 0 H THR A 867 0.927 -3.775 -0.456 1.00 0.00 H new ATOM 0 HA THR A 867 -1.132 -1.893 -0.938 1.00 0.00 H new ATOM 0 HB THR A 867 0.981 -2.980 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.820 -2.039 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.718 -0.814 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.798 -1.746 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.592 -0.380 -2.861 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.375 -4.807 -2.438 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.325 -5.646 -3.161 1.00 0.00 C ATOM 1685 C ALA A 868 -3.602 -5.805 -2.356 1.00 0.00 C ATOM 1686 O ALA A 868 -4.702 -5.755 -2.904 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.742 -7.010 -3.473 1.00 0.00 C ATOM 0 H ALA A 868 -0.544 -5.293 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.549 -5.151 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.479 -7.606 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.850 -6.892 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.477 -7.514 -2.543 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.450 -6.003 -1.053 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.594 -6.056 -0.158 1.00 0.00 C ATOM 1695 C LYS A 869 -5.333 -4.726 -0.202 1.00 0.00 C ATOM 1696 O LYS A 869 -6.560 -4.681 -0.226 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.143 -6.366 1.270 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.195 -7.845 1.618 1.00 0.00 C ATOM 1699 CD LYS A 869 -2.803 -8.420 1.820 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.751 -9.350 3.021 1.00 0.00 C ATOM 1701 NZ LYS A 869 -1.535 -9.128 3.846 1.00 0.00 N ATOM 0 H LYS A 869 -2.547 -6.129 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.265 -6.851 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.124 -6.005 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.773 -5.815 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.783 -7.986 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -4.702 -8.389 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -2.500 -8.963 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.089 -7.608 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -3.638 -9.198 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -2.773 -10.385 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -1.288 -10.007 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -0.745 -8.845 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -1.719 -8.376 4.541 1.00 0.00 H new ATOM 1715 N MET A 870 -4.560 -3.647 -0.241 1.00 0.00 N ATOM 1716 CA MET A 870 -5.103 -2.299 -0.327 1.00 0.00 C ATOM 1717 C MET A 870 -5.884 -2.105 -1.623 1.00 0.00 C ATOM 1718 O MET A 870 -7.044 -1.690 -1.600 1.00 0.00 O ATOM 1719 CB MET A 870 -3.964 -1.279 -0.243 1.00 0.00 C ATOM 1720 CG MET A 870 -4.409 0.104 0.191 1.00 0.00 C ATOM 1721 SD MET A 870 -5.037 1.089 -1.177 1.00 0.00 S ATOM 1722 CE MET A 870 -6.422 1.886 -0.383 1.00 0.00 C ATOM 0 H MET A 870 -3.541 -3.683 -0.214 1.00 0.00 H new ATOM 0 HA MET A 870 -5.789 -2.149 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.213 -1.645 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.482 -1.206 -1.218 1.00 0.00 H new ATOM 0 HG2 MET A 870 -5.184 0.010 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.569 0.624 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.057 2.350 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.999 1.146 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.057 2.650 0.304 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.251 -2.428 -2.744 1.00 0.00 N ATOM 1733 CA VAL A 871 -5.866 -2.247 -4.052 1.00 0.00 C ATOM 1734 C VAL A 871 -7.105 -3.127 -4.202 1.00 0.00 C ATOM 1735 O VAL A 871 -8.096 -2.723 -4.809 1.00 0.00 O ATOM 1736 CB VAL A 871 -4.852 -2.520 -5.199 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -4.931 -3.951 -5.716 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.063 -1.532 -6.336 1.00 0.00 C ATOM 0 H VAL A 871 -4.309 -2.818 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.179 -1.205 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 871 -3.853 -2.385 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.203 -4.090 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -4.714 -4.644 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -5.933 -4.144 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.346 -1.735 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.076 -1.636 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.918 -0.517 -5.967 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.056 -4.317 -3.618 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.170 -5.245 -3.690 1.00 0.00 C ATOM 1750 C GLU A 872 -9.322 -4.765 -2.808 1.00 0.00 C ATOM 1751 O GLU A 872 -10.485 -4.802 -3.215 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.713 -6.648 -3.272 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.286 -7.754 -4.145 1.00 0.00 C ATOM 1754 CD GLU A 872 -7.734 -7.731 -5.556 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -6.556 -8.097 -5.745 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -8.480 -7.365 -6.487 1.00 0.00 O ATOM 0 H GLU A 872 -6.254 -4.660 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.527 -5.289 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.625 -6.694 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.005 -6.824 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.068 -8.720 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.371 -7.657 -4.182 1.00 0.00 H new ATOM 1763 N ALA A 873 -8.987 -4.289 -1.614 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.988 -3.815 -0.663 1.00 0.00 C ATOM 1765 C ALA A 873 -10.674 -2.547 -1.157 1.00 0.00 C ATOM 1766 O ALA A 873 -11.892 -2.408 -1.047 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.350 -3.565 0.695 1.00 0.00 C ATOM 0 H ALA A 873 -8.026 -4.221 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.746 -4.592 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.108 -3.212 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.915 -4.492 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.568 -2.812 0.597 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.887 -1.623 -1.703 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.418 -0.350 -2.176 1.00 0.00 C ATOM 1775 C ALA A 874 -11.430 -0.556 -3.297 1.00 0.00 C ATOM 1776 O ALA A 874 -12.475 0.094 -3.327 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.291 0.557 -2.639 1.00 0.00 C ATOM 0 H ALA A 874 -8.881 -1.733 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 874 -10.933 0.128 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.705 1.503 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.610 0.744 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.748 0.076 -3.452 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.119 -1.468 -4.212 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.021 -1.773 -5.316 1.00 0.00 C ATOM 1785 C LYS A 875 -13.260 -2.501 -4.810 1.00 0.00 C ATOM 1786 O LYS A 875 -14.369 -2.249 -5.273 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.327 -2.640 -6.368 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.099 -1.998 -7.001 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.343 -2.976 -7.901 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.537 -4.424 -7.464 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.673 -5.362 -8.225 1.00 0.00 N ATOM 0 H LYS A 875 -10.253 -2.007 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.314 -0.827 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -11.032 -3.583 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.043 -2.879 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.404 -1.129 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.433 -1.638 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.684 -2.859 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.281 -2.733 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.317 -4.513 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.582 -4.705 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.684 -6.295 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.030 -5.451 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -7.699 -4.998 -8.245 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.057 -3.407 -3.860 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.156 -4.184 -3.319 1.00 0.00 C ATOM 1807 C GLY A 876 -15.153 -3.337 -2.555 1.00 0.00 C ATOM 1808 O GLY A 876 -16.360 -3.549 -2.657 1.00 0.00 O ATOM 0 H GLY A 876 -12.146 -3.618 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.669 -4.695 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.759 -4.955 -2.658 1.00 0.00 H new