USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 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 -180:sc= 1.18 USER MOD Set 1.2: A 867 THR OG1 : rot 70:sc= 1.79 USER MOD Single : A 772 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 775 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 776 GLN : amide:sc= -0.828 K(o=-0.83,f=-4.2!) USER MOD Single : A 779 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 802 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 811 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.14) USER MOD Single : A 814 SER OG : rot 180:sc= 0.125 USER MOD Single : A 815 SER OG : rot -82:sc= -2.88! USER MOD Single : A 816 MET CE :methyl 154:sc=-0.00253 (180deg=-0.361) USER MOD Single : A 822 MET CE :methyl 167:sc= -0.405 (180deg=-1.23) USER MOD Single : A 825 GLN : amide:sc= 0.502 K(o=0.5,f=-0.82) USER MOD Single : A 831 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.5) USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0268) USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.102) USER MOD Single : A 869 LYS NZ :NH3+ -147:sc= 0.621 (180deg=0.196) USER MOD Single : A 870 MET CE :methyl 155:sc= -3.62! (180deg=-5.52!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.036 -2.815 5.939 1.00 0.00 N ATOM 221 CA GLY A 766 -11.075 -3.299 4.974 1.00 0.00 C ATOM 222 C GLY A 766 -10.121 -2.215 4.532 1.00 0.00 C ATOM 223 O GLY A 766 -8.928 -2.277 4.822 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.510 -4.124 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.601 -3.695 4.105 1.00 0.00 H new ATOM 227 N VAL A 767 -10.658 -1.205 3.853 1.00 0.00 N ATOM 228 CA VAL A 767 -9.848 -0.116 3.311 1.00 0.00 C ATOM 229 C VAL A 767 -9.047 0.577 4.406 1.00 0.00 C ATOM 230 O VAL A 767 -7.843 0.772 4.270 1.00 0.00 O ATOM 231 CB VAL A 767 -10.715 0.937 2.590 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.850 1.849 1.739 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.783 0.267 1.741 1.00 0.00 C ATOM 0 H VAL A 767 -11.656 -1.117 3.664 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.166 -0.569 2.592 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.213 1.543 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.480 2.585 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.127 2.362 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.321 1.256 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.382 1.029 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.308 -0.368 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.426 -0.341 2.378 1.00 0.00 H new ATOM 243 N GLY A 768 -9.722 0.935 5.492 1.00 0.00 N ATOM 244 CA GLY A 768 -9.057 1.613 6.592 1.00 0.00 C ATOM 245 C GLY A 768 -7.884 0.823 7.145 1.00 0.00 C ATOM 246 O GLY A 768 -6.782 1.358 7.303 1.00 0.00 O ATOM 0 H GLY A 768 -10.719 0.768 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.706 2.588 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.777 1.793 7.390 1.00 0.00 H new ATOM 250 N ALA A 769 -8.115 -0.454 7.417 1.00 0.00 N ATOM 251 CA ALA A 769 -7.079 -1.319 7.965 1.00 0.00 C ATOM 252 C ALA A 769 -5.947 -1.526 6.964 1.00 0.00 C ATOM 253 O ALA A 769 -4.768 -1.417 7.315 1.00 0.00 O ATOM 254 CB ALA A 769 -7.675 -2.657 8.379 1.00 0.00 C ATOM 0 H ALA A 769 -9.013 -0.915 7.267 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.661 -0.831 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.890 -3.294 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.441 -2.495 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.121 -3.141 7.510 1.00 0.00 H new ATOM 260 N ALA A 770 -6.306 -1.804 5.717 1.00 0.00 N ATOM 261 CA ALA A 770 -5.321 -2.051 4.673 1.00 0.00 C ATOM 262 C ALA A 770 -4.491 -0.803 4.388 1.00 0.00 C ATOM 263 O ALA A 770 -3.275 -0.886 4.218 1.00 0.00 O ATOM 264 CB ALA A 770 -6.007 -2.538 3.407 1.00 0.00 C ATOM 0 H ALA A 770 -7.275 -1.864 5.404 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.642 -2.827 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.259 -2.719 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.543 -3.463 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.711 -1.781 3.061 1.00 0.00 H new ATOM 270 N ALA A 771 -5.150 0.351 4.349 1.00 0.00 N ATOM 271 CA ALA A 771 -4.465 1.618 4.124 1.00 0.00 C ATOM 272 C ALA A 771 -3.433 1.872 5.218 1.00 0.00 C ATOM 273 O ALA A 771 -2.301 2.278 4.944 1.00 0.00 O ATOM 274 CB ALA A 771 -5.468 2.762 4.064 1.00 0.00 C ATOM 0 H ALA A 771 -6.159 0.434 4.471 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.945 1.562 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.940 3.700 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.169 2.589 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.014 2.817 5.006 1.00 0.00 H new ATOM 280 N THR A 772 -3.825 1.611 6.459 1.00 0.00 N ATOM 281 CA THR A 772 -2.925 1.772 7.590 1.00 0.00 C ATOM 282 C THR A 772 -1.762 0.786 7.496 1.00 0.00 C ATOM 283 O THR A 772 -0.623 1.131 7.802 1.00 0.00 O ATOM 284 CB THR A 772 -3.663 1.578 8.927 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.881 2.342 8.930 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.791 2.005 10.101 1.00 0.00 C ATOM 0 H THR A 772 -4.760 1.287 6.706 1.00 0.00 H new ATOM 0 HA THR A 772 -2.536 2.790 7.556 1.00 0.00 H new ATOM 0 HB THR A 772 -3.894 0.518 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.615 1.788 8.591 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.337 1.857 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.881 1.406 10.115 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.530 3.058 9.996 1.00 0.00 H new ATOM 294 N ALA A 773 -2.055 -0.430 7.044 1.00 0.00 N ATOM 295 CA ALA A 773 -1.033 -1.454 6.871 1.00 0.00 C ATOM 296 C ALA A 773 0.041 -0.992 5.892 1.00 0.00 C ATOM 297 O ALA A 773 1.233 -1.160 6.145 1.00 0.00 O ATOM 298 CB ALA A 773 -1.659 -2.758 6.396 1.00 0.00 C ATOM 0 H ALA A 773 -2.996 -0.730 6.790 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.560 -1.627 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.881 -3.511 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.384 -3.103 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.161 -2.595 5.442 1.00 0.00 H new ATOM 304 N VAL A 774 -0.386 -0.395 4.782 1.00 0.00 N ATOM 305 CA VAL A 774 0.545 0.140 3.790 1.00 0.00 C ATOM 306 C VAL A 774 1.359 1.281 4.386 1.00 0.00 C ATOM 307 O VAL A 774 2.581 1.324 4.248 1.00 0.00 O ATOM 308 CB VAL A 774 -0.188 0.649 2.531 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.799 1.196 1.510 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.021 -0.460 1.917 1.00 0.00 C ATOM 0 H VAL A 774 -1.370 -0.269 4.546 1.00 0.00 H new ATOM 0 HA VAL A 774 1.206 -0.676 3.499 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.852 1.460 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.257 1.548 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.355 2.024 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.493 0.408 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.531 -0.084 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.372 -1.290 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.759 -0.804 2.641 1.00 0.00 H new ATOM 320 N THR A 775 0.670 2.193 5.060 1.00 0.00 N ATOM 321 CA THR A 775 1.318 3.325 5.707 1.00 0.00 C ATOM 322 C THR A 775 2.357 2.851 6.726 1.00 0.00 C ATOM 323 O THR A 775 3.452 3.410 6.821 1.00 0.00 O ATOM 324 CB THR A 775 0.282 4.228 6.407 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.816 4.487 5.522 1.00 0.00 O ATOM 326 CG2 THR A 775 0.907 5.545 6.841 1.00 0.00 C ATOM 0 H THR A 775 -0.343 2.170 5.173 1.00 0.00 H new ATOM 0 HA THR A 775 1.821 3.902 4.931 1.00 0.00 H new ATOM 0 HB THR A 775 -0.076 3.707 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.396 3.698 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.153 6.161 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.724 5.349 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.293 6.070 5.967 1.00 0.00 H new ATOM 334 N GLN A 776 2.012 1.808 7.470 1.00 0.00 N ATOM 335 CA GLN A 776 2.907 1.253 8.472 1.00 0.00 C ATOM 336 C GLN A 776 4.071 0.522 7.819 1.00 0.00 C ATOM 337 O GLN A 776 5.219 0.694 8.222 1.00 0.00 O ATOM 338 CB GLN A 776 2.146 0.310 9.402 1.00 0.00 C ATOM 339 CG GLN A 776 2.160 0.753 10.856 1.00 0.00 C ATOM 340 CD GLN A 776 1.494 2.100 11.074 1.00 0.00 C ATOM 341 OE1 GLN A 776 1.912 3.117 10.520 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.455 2.117 11.892 1.00 0.00 N ATOM 0 H GLN A 776 1.114 1.329 7.396 1.00 0.00 H new ATOM 0 HA GLN A 776 3.309 2.078 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.113 0.234 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.580 -0.687 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.655 0.002 11.463 1.00 0.00 H new ATOM 0 HG3 GLN A 776 3.192 0.804 11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.138 1.253 12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -0.030 2.994 12.083 1.00 0.00 H new ATOM 351 N ALA A 777 3.772 -0.284 6.805 1.00 0.00 N ATOM 352 CA ALA A 777 4.804 -1.010 6.073 1.00 0.00 C ATOM 353 C ALA A 777 5.793 -0.040 5.436 1.00 0.00 C ATOM 354 O ALA A 777 7.002 -0.275 5.439 1.00 0.00 O ATOM 355 CB ALA A 777 4.177 -1.904 5.010 1.00 0.00 C ATOM 0 H ALA A 777 2.823 -0.451 6.471 1.00 0.00 H new ATOM 0 HA ALA A 777 5.345 -1.640 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.962 -2.438 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.510 -2.622 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.610 -1.292 4.308 1.00 0.00 H new ATOM 361 N LEU A 778 5.267 1.054 4.898 1.00 0.00 N ATOM 362 CA LEU A 778 6.094 2.092 4.302 1.00 0.00 C ATOM 363 C LEU A 778 6.981 2.739 5.357 1.00 0.00 C ATOM 364 O LEU A 778 8.186 2.889 5.160 1.00 0.00 O ATOM 365 CB LEU A 778 5.220 3.153 3.637 1.00 0.00 C ATOM 366 CG LEU A 778 5.981 4.177 2.803 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.083 3.711 1.362 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.307 5.534 2.881 1.00 0.00 C ATOM 0 H LEU A 778 4.265 1.244 4.863 1.00 0.00 H new ATOM 0 HA LEU A 778 6.728 1.631 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.491 2.655 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.660 3.679 4.410 1.00 0.00 H new ATOM 0 HG LEU A 778 6.989 4.274 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.629 4.452 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.611 2.758 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.082 3.588 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.864 6.252 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.288 5.456 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.284 5.870 3.918 1.00 0.00 H new ATOM 380 N ASN A 779 6.375 3.111 6.481 1.00 0.00 N ATOM 381 CA ASN A 779 7.109 3.706 7.592 1.00 0.00 C ATOM 382 C ASN A 779 8.173 2.737 8.099 1.00 0.00 C ATOM 383 O ASN A 779 9.295 3.132 8.415 1.00 0.00 O ATOM 384 CB ASN A 779 6.154 4.070 8.734 1.00 0.00 C ATOM 385 CG ASN A 779 5.676 5.509 8.669 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.316 6.416 9.204 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.543 5.729 8.020 1.00 0.00 N ATOM 0 H ASN A 779 5.374 3.010 6.646 1.00 0.00 H new ATOM 0 HA ASN A 779 7.593 4.615 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.291 3.404 8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.655 3.902 9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.171 6.676 7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.042 4.951 7.590 1.00 0.00 H new ATOM 394 N GLU A 780 7.803 1.463 8.163 1.00 0.00 N ATOM 395 CA GLU A 780 8.713 0.399 8.572 1.00 0.00 C ATOM 396 C GLU A 780 9.926 0.353 7.653 1.00 0.00 C ATOM 397 O GLU A 780 11.071 0.446 8.107 1.00 0.00 O ATOM 398 CB GLU A 780 7.980 -0.947 8.531 1.00 0.00 C ATOM 399 CG GLU A 780 8.900 -2.160 8.543 1.00 0.00 C ATOM 400 CD GLU A 780 9.189 -2.663 9.940 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.238 -2.800 10.737 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.372 -2.927 10.247 1.00 0.00 O ATOM 0 H GLU A 780 6.864 1.138 7.933 1.00 0.00 H new ATOM 0 HA GLU A 780 9.054 0.598 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.307 -1.007 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.361 -0.984 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.445 -2.961 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 780 9.839 -1.903 8.053 1.00 0.00 H new ATOM 409 N LEU A 781 9.662 0.226 6.361 1.00 0.00 N ATOM 410 CA LEU A 781 10.713 0.120 5.366 1.00 0.00 C ATOM 411 C LEU A 781 11.583 1.369 5.353 1.00 0.00 C ATOM 412 O LEU A 781 12.806 1.274 5.301 1.00 0.00 O ATOM 413 CB LEU A 781 10.104 -0.109 3.984 1.00 0.00 C ATOM 414 CG LEU A 781 11.104 -0.127 2.829 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.314 -1.547 2.329 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.628 0.776 1.702 1.00 0.00 C ATOM 0 H LEU A 781 8.718 0.194 5.977 1.00 0.00 H new ATOM 0 HA LEU A 781 11.343 -0.730 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.567 -1.057 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.368 0.672 3.795 1.00 0.00 H new ATOM 0 HG LEU A 781 12.060 0.252 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.029 -1.541 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.699 -2.165 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.365 -1.955 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.351 0.752 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.661 0.427 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.530 1.797 2.071 1.00 0.00 H new ATOM 428 N LEU A 782 10.943 2.533 5.419 1.00 0.00 N ATOM 429 CA LEU A 782 11.648 3.811 5.371 1.00 0.00 C ATOM 430 C LEU A 782 12.778 3.865 6.394 1.00 0.00 C ATOM 431 O LEU A 782 13.937 4.078 6.037 1.00 0.00 O ATOM 432 CB LEU A 782 10.671 4.962 5.619 1.00 0.00 C ATOM 433 CG LEU A 782 10.461 5.902 4.433 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.568 7.067 4.830 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.797 6.405 3.906 1.00 0.00 C ATOM 0 H LEU A 782 9.930 2.618 5.506 1.00 0.00 H new ATOM 0 HA LEU A 782 12.085 3.911 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.706 4.543 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.030 5.546 6.466 1.00 0.00 H new ATOM 0 HG LEU A 782 9.967 5.347 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.429 7.727 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.600 6.688 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 782 10.035 7.622 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.627 7.073 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.320 6.944 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.403 5.558 3.583 1.00 0.00 H new ATOM 701 N ALA A 801 9.191 7.604 -4.291 1.00 0.00 N ATOM 702 CA ALA A 801 8.326 6.440 -4.176 1.00 0.00 C ATOM 703 C ALA A 801 7.571 6.449 -2.852 1.00 0.00 C ATOM 704 O ALA A 801 6.344 6.324 -2.828 1.00 0.00 O ATOM 705 CB ALA A 801 9.136 5.159 -4.317 1.00 0.00 C ATOM 0 HA ALA A 801 7.595 6.481 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.473 4.298 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.624 5.143 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.891 5.118 -3.532 1.00 0.00 H new ATOM 711 N THR A 802 8.300 6.627 -1.755 1.00 0.00 N ATOM 712 CA THR A 802 7.701 6.612 -0.428 1.00 0.00 C ATOM 713 C THR A 802 6.706 7.760 -0.267 1.00 0.00 C ATOM 714 O THR A 802 5.611 7.578 0.272 1.00 0.00 O ATOM 715 CB THR A 802 8.782 6.702 0.668 1.00 0.00 C ATOM 716 OG1 THR A 802 9.921 7.415 0.175 1.00 0.00 O ATOM 717 CG2 THR A 802 9.219 5.313 1.109 1.00 0.00 C ATOM 0 H THR A 802 9.308 6.783 -1.760 1.00 0.00 H new ATOM 0 HA THR A 802 7.170 5.667 -0.318 1.00 0.00 H new ATOM 0 HB THR A 802 8.356 7.230 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.602 7.469 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.982 5.400 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.361 4.770 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.628 4.772 0.256 1.00 0.00 H new ATOM 725 N ASP A 803 7.090 8.934 -0.761 1.00 0.00 N ATOM 726 CA ASP A 803 6.232 10.115 -0.715 1.00 0.00 C ATOM 727 C ASP A 803 4.927 9.865 -1.462 1.00 0.00 C ATOM 728 O ASP A 803 3.841 10.138 -0.947 1.00 0.00 O ATOM 729 CB ASP A 803 6.958 11.312 -1.335 1.00 0.00 C ATOM 730 CG ASP A 803 6.395 12.645 -0.884 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.176 12.861 -1.009 1.00 0.00 O ATOM 732 OD2 ASP A 803 7.180 13.497 -0.418 1.00 0.00 O ATOM 0 H ASP A 803 7.996 9.093 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 803 6.001 10.330 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.015 11.263 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.894 11.246 -2.421 1.00 0.00 H new ATOM 737 N THR A 804 5.041 9.329 -2.673 1.00 0.00 N ATOM 738 CA THR A 804 3.878 9.057 -3.505 1.00 0.00 C ATOM 739 C THR A 804 2.926 8.079 -2.819 1.00 0.00 C ATOM 740 O THR A 804 1.723 8.325 -2.749 1.00 0.00 O ATOM 741 CB THR A 804 4.294 8.502 -4.883 1.00 0.00 C ATOM 742 OG1 THR A 804 5.248 9.386 -5.493 1.00 0.00 O ATOM 743 CG2 THR A 804 3.089 8.342 -5.800 1.00 0.00 C ATOM 0 H THR A 804 5.932 9.074 -3.100 1.00 0.00 H new ATOM 0 HA THR A 804 3.359 10.004 -3.653 1.00 0.00 H new ATOM 0 HB THR A 804 4.742 7.520 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.512 9.030 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.414 7.949 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.377 7.651 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.612 9.311 -5.946 1.00 0.00 H new ATOM 751 N ILE A 805 3.473 6.986 -2.291 1.00 0.00 N ATOM 752 CA ILE A 805 2.661 5.990 -1.599 1.00 0.00 C ATOM 753 C ILE A 805 1.910 6.621 -0.435 1.00 0.00 C ATOM 754 O ILE A 805 0.691 6.499 -0.341 1.00 0.00 O ATOM 755 CB ILE A 805 3.513 4.813 -1.082 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.903 3.904 -2.239 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.768 4.018 -0.016 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.303 3.368 -2.119 1.00 0.00 C ATOM 0 H ILE A 805 4.469 6.769 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 805 1.947 5.603 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 805 4.415 5.222 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.204 3.070 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.810 4.456 -3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.395 3.195 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.531 4.670 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.845 3.619 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.522 2.727 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.010 4.198 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.394 2.790 -1.199 1.00 0.00 H new ATOM 770 N LEU A 806 2.642 7.304 0.439 1.00 0.00 N ATOM 771 CA LEU A 806 2.028 7.963 1.589 1.00 0.00 C ATOM 772 C LEU A 806 0.911 8.896 1.155 1.00 0.00 C ATOM 773 O LEU A 806 -0.211 8.784 1.639 1.00 0.00 O ATOM 774 CB LEU A 806 3.055 8.752 2.391 1.00 0.00 C ATOM 775 CG LEU A 806 3.272 8.257 3.822 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.329 9.090 4.521 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.967 8.293 4.603 1.00 0.00 C ATOM 0 H LEU A 806 3.654 7.416 0.375 1.00 0.00 H new ATOM 0 HA LEU A 806 1.614 7.177 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.008 8.722 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.743 9.796 2.426 1.00 0.00 H new ATOM 0 HG LEU A 806 3.620 7.225 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.469 8.722 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.270 9.016 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.009 10.132 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.141 7.937 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.591 9.315 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.233 7.652 4.115 1.00 0.00 H new ATOM 789 N THR A 807 1.213 9.794 0.224 1.00 0.00 N ATOM 790 CA THR A 807 0.229 10.753 -0.253 1.00 0.00 C ATOM 791 C THR A 807 -0.998 10.045 -0.823 1.00 0.00 C ATOM 792 O THR A 807 -2.126 10.436 -0.546 1.00 0.00 O ATOM 793 CB THR A 807 0.821 11.687 -1.325 1.00 0.00 C ATOM 794 OG1 THR A 807 2.104 12.171 -0.904 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.106 12.867 -1.583 1.00 0.00 C ATOM 0 H THR A 807 2.131 9.876 -0.214 1.00 0.00 H new ATOM 0 HA THR A 807 -0.070 11.352 0.607 1.00 0.00 H new ATOM 0 HB THR A 807 0.932 11.118 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.803 11.562 -1.221 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.331 13.514 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.072 12.501 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.242 13.432 -0.661 1.00 0.00 H new ATOM 803 N VAL A 808 -0.772 8.991 -1.592 1.00 0.00 N ATOM 804 CA VAL A 808 -1.861 8.253 -2.215 1.00 0.00 C ATOM 805 C VAL A 808 -2.696 7.503 -1.170 1.00 0.00 C ATOM 806 O VAL A 808 -3.923 7.585 -1.174 1.00 0.00 O ATOM 807 CB VAL A 808 -1.325 7.254 -3.265 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.344 6.167 -3.567 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.933 7.982 -4.540 1.00 0.00 C ATOM 0 H VAL A 808 0.158 8.627 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.500 8.982 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.439 6.775 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.935 5.481 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.573 5.619 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.256 6.621 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.558 7.263 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.804 8.493 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.155 8.713 -4.317 1.00 0.00 H new ATOM 819 N THR A 809 -2.032 6.781 -0.275 1.00 0.00 N ATOM 820 CA THR A 809 -2.729 6.025 0.759 1.00 0.00 C ATOM 821 C THR A 809 -3.454 6.964 1.718 1.00 0.00 C ATOM 822 O THR A 809 -4.584 6.700 2.134 1.00 0.00 O ATOM 823 CB THR A 809 -1.763 5.121 1.546 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.778 4.570 0.664 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.514 3.989 2.223 1.00 0.00 C ATOM 0 H THR A 809 -1.015 6.703 -0.244 1.00 0.00 H new ATOM 0 HA THR A 809 -3.461 5.390 0.259 1.00 0.00 H new ATOM 0 HB THR A 809 -1.276 5.729 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.075 5.233 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.811 3.364 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.249 4.402 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.022 3.387 1.469 1.00 0.00 H new ATOM 833 N GLU A 810 -2.806 8.075 2.044 1.00 0.00 N ATOM 834 CA GLU A 810 -3.409 9.094 2.884 1.00 0.00 C ATOM 835 C GLU A 810 -4.577 9.752 2.139 1.00 0.00 C ATOM 836 O GLU A 810 -5.568 10.159 2.747 1.00 0.00 O ATOM 837 CB GLU A 810 -2.342 10.123 3.307 1.00 0.00 C ATOM 838 CG GLU A 810 -2.874 11.247 4.186 1.00 0.00 C ATOM 839 CD GLU A 810 -2.961 12.573 3.461 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.936 13.282 3.378 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.058 12.917 2.973 1.00 0.00 O ATOM 0 H GLU A 810 -1.858 8.291 1.736 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.807 8.640 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.545 9.605 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.896 10.557 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.863 10.975 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -2.228 11.357 5.057 1.00 0.00 H new ATOM 848 N ASN A 811 -4.461 9.808 0.812 1.00 0.00 N ATOM 849 CA ASN A 811 -5.516 10.342 -0.054 1.00 0.00 C ATOM 850 C ASN A 811 -6.765 9.479 0.016 1.00 0.00 C ATOM 851 O ASN A 811 -7.884 9.975 -0.084 1.00 0.00 O ATOM 852 CB ASN A 811 -5.043 10.382 -1.511 1.00 0.00 C ATOM 853 CG ASN A 811 -4.712 11.772 -2.006 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.474 12.717 -1.814 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.569 11.899 -2.663 1.00 0.00 N ATOM 0 H ASN A 811 -3.636 9.486 0.307 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.746 11.349 0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.161 9.750 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.818 9.955 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.291 12.808 -3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -2.966 11.087 -2.800 1.00 0.00 H new ATOM 862 N ILE A 812 -6.571 8.176 0.168 1.00 0.00 N ATOM 863 CA ILE A 812 -7.686 7.241 0.217 1.00 0.00 C ATOM 864 C ILE A 812 -8.530 7.476 1.469 1.00 0.00 C ATOM 865 O ILE A 812 -9.739 7.260 1.464 1.00 0.00 O ATOM 866 CB ILE A 812 -7.197 5.772 0.154 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.738 5.432 -1.265 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.287 4.803 0.595 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.410 4.711 -1.321 1.00 0.00 C ATOM 0 H ILE A 812 -5.652 7.743 0.259 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.309 7.420 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.357 5.669 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.497 4.813 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.666 6.353 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.910 3.782 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.579 5.026 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.153 4.907 -0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.152 4.504 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.638 5.336 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.482 3.773 -0.771 1.00 0.00 H new ATOM 881 N PHE A 813 -7.891 7.948 2.532 1.00 0.00 N ATOM 882 CA PHE A 813 -8.612 8.303 3.747 1.00 0.00 C ATOM 883 C PHE A 813 -9.559 9.468 3.474 1.00 0.00 C ATOM 884 O PHE A 813 -10.690 9.493 3.954 1.00 0.00 O ATOM 885 CB PHE A 813 -7.633 8.672 4.863 1.00 0.00 C ATOM 886 CG PHE A 813 -6.890 7.495 5.430 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.575 6.394 5.916 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.505 7.490 5.473 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.894 5.310 6.435 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.818 6.410 5.992 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.513 5.318 6.472 1.00 0.00 C ATOM 0 H PHE A 813 -6.882 8.093 2.578 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.195 7.440 4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.913 9.394 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -8.181 9.166 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.655 6.383 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.956 8.341 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.440 4.458 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.738 6.420 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.978 4.471 6.876 1.00 0.00 H new ATOM 901 N SER A 814 -9.092 10.419 2.674 1.00 0.00 N ATOM 902 CA SER A 814 -9.884 11.589 2.325 1.00 0.00 C ATOM 903 C SER A 814 -10.933 11.245 1.266 1.00 0.00 C ATOM 904 O SER A 814 -11.993 11.873 1.197 1.00 0.00 O ATOM 905 CB SER A 814 -8.962 12.699 1.812 1.00 0.00 C ATOM 906 OG SER A 814 -7.601 12.297 1.866 1.00 0.00 O ATOM 0 H SER A 814 -8.163 10.401 2.253 1.00 0.00 H new ATOM 0 HA SER A 814 -10.406 11.934 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.229 12.953 0.786 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.103 13.599 2.411 1.00 0.00 H new ATOM 0 HG SER A 814 -7.032 13.022 1.532 1.00 0.00 H new ATOM 912 N SER A 815 -10.641 10.235 0.455 1.00 0.00 N ATOM 913 CA SER A 815 -11.514 9.859 -0.646 1.00 0.00 C ATOM 914 C SER A 815 -12.482 8.750 -0.240 1.00 0.00 C ATOM 915 O SER A 815 -13.305 8.320 -1.045 1.00 0.00 O ATOM 916 CB SER A 815 -10.679 9.410 -1.849 1.00 0.00 C ATOM 917 OG SER A 815 -9.726 8.436 -1.474 1.00 0.00 O ATOM 0 H SER A 815 -9.802 9.661 0.541 1.00 0.00 H new ATOM 0 HA SER A 815 -12.103 10.735 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.335 9.004 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.171 10.271 -2.284 1.00 0.00 H new ATOM 0 HG SER A 815 -8.938 8.878 -1.094 1.00 0.00 H new ATOM 923 N MET A 816 -12.374 8.288 1.006 1.00 0.00 N ATOM 924 CA MET A 816 -13.244 7.230 1.514 1.00 0.00 C ATOM 925 C MET A 816 -14.704 7.662 1.445 1.00 0.00 C ATOM 926 O MET A 816 -15.185 8.426 2.284 1.00 0.00 O ATOM 927 CB MET A 816 -12.869 6.864 2.949 1.00 0.00 C ATOM 928 CG MET A 816 -12.690 5.372 3.157 1.00 0.00 C ATOM 929 SD MET A 816 -12.340 4.942 4.871 1.00 0.00 S ATOM 930 CE MET A 816 -10.578 4.633 4.776 1.00 0.00 C ATOM 0 H MET A 816 -11.691 8.631 1.682 1.00 0.00 H new ATOM 0 HA MET A 816 -13.110 6.349 0.887 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.945 7.375 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.643 7.228 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.593 4.854 2.835 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.876 5.017 2.525 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.125 4.809 5.752 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.406 3.599 4.477 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.130 5.303 4.042 1.00 0.00 H new ATOM 940 N GLY A 817 -15.388 7.167 0.431 1.00 0.00 N ATOM 941 CA GLY A 817 -16.741 7.594 0.144 1.00 0.00 C ATOM 942 C GLY A 817 -16.940 7.713 -1.349 1.00 0.00 C ATOM 943 O GLY A 817 -17.980 7.331 -1.888 1.00 0.00 O ATOM 0 H GLY A 817 -15.024 6.463 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.452 6.879 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.938 8.553 0.623 1.00 0.00 H new ATOM 947 N ASP A 818 -15.923 8.238 -2.018 1.00 0.00 N ATOM 948 CA ASP A 818 -15.882 8.249 -3.471 1.00 0.00 C ATOM 949 C ASP A 818 -14.990 7.111 -3.935 1.00 0.00 C ATOM 950 O ASP A 818 -13.791 7.290 -4.166 1.00 0.00 O ATOM 951 CB ASP A 818 -15.363 9.587 -4.010 1.00 0.00 C ATOM 952 CG ASP A 818 -15.463 9.682 -5.523 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.122 8.814 -6.142 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.885 10.626 -6.106 1.00 0.00 O ATOM 0 H ASP A 818 -15.111 8.664 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.893 8.119 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.931 10.401 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.324 9.718 -3.709 1.00 0.00 H new ATOM 959 N ALA A 819 -15.586 5.936 -4.052 1.00 0.00 N ATOM 960 CA ALA A 819 -14.850 4.716 -4.340 1.00 0.00 C ATOM 961 C ALA A 819 -14.152 4.779 -5.690 1.00 0.00 C ATOM 962 O ALA A 819 -13.149 4.103 -5.906 1.00 0.00 O ATOM 963 CB ALA A 819 -15.785 3.528 -4.280 1.00 0.00 C ATOM 0 H ALA A 819 -16.592 5.801 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.074 4.605 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.229 2.616 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.222 3.459 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.579 3.652 -5.016 1.00 0.00 H new ATOM 969 N GLY A 820 -14.681 5.590 -6.593 1.00 0.00 N ATOM 970 CA GLY A 820 -14.035 5.783 -7.873 1.00 0.00 C ATOM 971 C GLY A 820 -12.656 6.390 -7.713 1.00 0.00 C ATOM 972 O GLY A 820 -11.696 5.948 -8.347 1.00 0.00 O ATOM 0 H GLY A 820 -15.545 6.117 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.955 4.826 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.649 6.432 -8.498 1.00 0.00 H new ATOM 976 N GLU A 821 -12.555 7.392 -6.849 1.00 0.00 N ATOM 977 CA GLU A 821 -11.273 8.004 -6.537 1.00 0.00 C ATOM 978 C GLU A 821 -10.444 7.056 -5.682 1.00 0.00 C ATOM 979 O GLU A 821 -9.222 7.010 -5.800 1.00 0.00 O ATOM 980 CB GLU A 821 -11.467 9.333 -5.806 1.00 0.00 C ATOM 981 CG GLU A 821 -10.211 10.189 -5.758 1.00 0.00 C ATOM 982 CD GLU A 821 -9.733 10.602 -7.137 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.551 11.132 -7.915 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.537 10.408 -7.443 1.00 0.00 O ATOM 0 H GLU A 821 -13.348 7.798 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.748 8.202 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.262 9.895 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.800 9.133 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.406 11.081 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.418 9.637 -5.253 1.00 0.00 H new ATOM 991 N MET A 822 -11.120 6.299 -4.825 1.00 0.00 N ATOM 992 CA MET A 822 -10.454 5.319 -3.977 1.00 0.00 C ATOM 993 C MET A 822 -9.728 4.282 -4.823 1.00 0.00 C ATOM 994 O MET A 822 -8.541 4.029 -4.626 1.00 0.00 O ATOM 995 CB MET A 822 -11.471 4.618 -3.077 1.00 0.00 C ATOM 996 CG MET A 822 -11.749 5.348 -1.776 1.00 0.00 C ATOM 997 SD MET A 822 -13.134 4.629 -0.871 1.00 0.00 S ATOM 998 CE MET A 822 -12.713 2.888 -0.946 1.00 0.00 C ATOM 0 H MET A 822 -12.131 6.346 -4.699 1.00 0.00 H new ATOM 0 HA MET A 822 -9.727 5.845 -3.359 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.407 4.503 -3.624 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.109 3.615 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.857 5.323 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.961 6.396 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.336 2.333 -0.245 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.883 2.516 -1.956 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.664 2.756 -0.683 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.445 3.699 -5.779 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.863 2.722 -6.692 1.00 0.00 C ATOM 1010 C VAL A 823 -8.818 3.387 -7.583 1.00 0.00 C ATOM 1011 O VAL A 823 -7.783 2.796 -7.896 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.948 2.047 -7.566 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.324 1.155 -8.633 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.905 1.242 -6.698 1.00 0.00 C ATOM 0 H VAL A 823 -11.434 3.888 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.384 1.950 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.507 2.835 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.112 0.696 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.682 1.755 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.731 0.376 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.661 0.774 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.350 0.471 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.389 1.904 -5.980 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.091 4.626 -7.978 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.140 5.411 -8.751 1.00 0.00 C ATOM 1026 C ARG A 824 -6.829 5.546 -7.988 1.00 0.00 C ATOM 1027 O ARG A 824 -5.762 5.231 -8.513 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.717 6.795 -9.060 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.062 7.480 -10.246 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.207 8.654 -9.801 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.893 9.551 -10.909 1.00 0.00 N ATOM 1032 CZ ARG A 824 -7.134 10.861 -10.898 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -7.702 11.429 -9.839 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -6.819 11.602 -11.954 1.00 0.00 N ATOM 0 H ARG A 824 -9.966 5.108 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.948 4.897 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.786 6.698 -9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.608 7.429 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.445 6.763 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.829 7.828 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.730 9.209 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.281 8.283 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.463 9.150 -11.742 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.955 10.861 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -7.885 12.433 -9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.393 11.168 -12.773 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.003 12.605 -11.946 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.919 5.995 -6.745 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.745 6.142 -5.897 1.00 0.00 C ATOM 1050 C GLN A 825 -5.095 4.787 -5.648 1.00 0.00 C ATOM 1051 O GLN A 825 -3.876 4.658 -5.701 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.115 6.796 -4.567 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.426 8.283 -4.671 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.487 9.031 -5.592 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.282 9.088 -5.353 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.033 9.630 -6.638 1.00 0.00 N ATOM 0 H GLN A 825 -7.796 6.265 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.033 6.786 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.982 6.283 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.294 6.656 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.449 8.409 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.378 8.727 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.037 9.558 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.449 10.164 -7.282 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.917 3.775 -5.396 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.427 2.421 -5.172 1.00 0.00 C ATOM 1067 C ALA A 826 -4.590 1.938 -6.356 1.00 0.00 C ATOM 1068 O ALA A 826 -3.580 1.257 -6.177 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.590 1.474 -4.918 1.00 0.00 C ATOM 0 H ALA A 826 -6.931 3.868 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.786 2.432 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.209 0.466 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.141 1.803 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.254 1.473 -5.782 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.008 2.309 -7.563 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.262 1.973 -8.772 1.00 0.00 C ATOM 1077 C ARG A 827 -2.884 2.628 -8.748 1.00 0.00 C ATOM 1078 O ARG A 827 -1.881 2.004 -9.097 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.028 2.429 -10.015 1.00 0.00 C ATOM 1080 CG ARG A 827 -5.812 1.323 -10.698 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.210 1.789 -11.068 1.00 0.00 C ATOM 1082 NE ARG A 827 -7.481 1.647 -12.499 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.453 2.656 -13.369 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.095 3.873 -12.977 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -7.765 2.439 -14.640 1.00 0.00 N ATOM 0 H ARG A 827 -5.861 2.843 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.139 0.891 -8.807 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.715 3.227 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.322 2.854 -10.729 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.284 1.000 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -5.877 0.458 -10.038 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.944 1.215 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.331 2.833 -10.779 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.705 0.717 -12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.839 4.041 -12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -7.076 4.640 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -8.025 1.502 -14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.745 3.209 -15.309 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.845 3.886 -8.323 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.591 4.619 -8.213 1.00 0.00 C ATOM 1101 C ILE A 828 -0.720 4.009 -7.123 1.00 0.00 C ATOM 1102 O ILE A 828 0.491 3.877 -7.285 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.827 6.114 -7.903 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.899 6.691 -8.829 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.531 6.900 -8.041 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.814 7.692 -8.157 1.00 0.00 C ATOM 0 H ILE A 828 -3.670 4.420 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.085 4.546 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.175 6.199 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.412 7.171 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.500 5.873 -9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.717 7.951 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.209 6.507 -7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.155 6.806 -9.060 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.547 8.056 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.330 7.212 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.225 8.530 -7.784 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.354 3.628 -6.019 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.671 2.960 -4.919 1.00 0.00 C ATOM 1120 C LEU A 829 0.017 1.694 -5.418 1.00 0.00 C ATOM 1121 O LEU A 829 1.199 1.477 -5.160 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.672 2.620 -3.808 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.086 1.965 -2.552 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.198 2.662 -2.121 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.106 1.985 -1.424 1.00 0.00 C ATOM 0 H LEU A 829 -2.351 3.773 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 829 0.087 3.631 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.181 3.537 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.430 1.954 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.844 0.929 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.593 2.178 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.933 2.599 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.012 3.709 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.678 1.517 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.376 3.016 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.997 1.436 -1.729 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.726 0.881 -6.158 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.196 -0.358 -6.711 1.00 0.00 C ATOM 1139 C ALA A 830 1.036 -0.091 -7.569 1.00 0.00 C ATOM 1140 O ALA A 830 2.044 -0.793 -7.464 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.267 -1.073 -7.521 1.00 0.00 C ATOM 0 H ALA A 830 -1.703 1.059 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 830 0.105 -1.001 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.858 -1.997 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.116 -1.304 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.595 -0.430 -8.338 1.00 0.00 H new ATOM 1147 N GLN A 831 0.956 0.938 -8.403 1.00 0.00 N ATOM 1148 CA GLN A 831 2.066 1.304 -9.272 1.00 0.00 C ATOM 1149 C GLN A 831 3.242 1.845 -8.461 1.00 0.00 C ATOM 1150 O GLN A 831 4.398 1.521 -8.736 1.00 0.00 O ATOM 1151 CB GLN A 831 1.615 2.344 -10.300 1.00 0.00 C ATOM 1152 CG GLN A 831 2.486 2.391 -11.545 1.00 0.00 C ATOM 1153 CD GLN A 831 2.851 1.010 -12.056 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.994 0.263 -12.530 1.00 0.00 O ATOM 1155 NE2 GLN A 831 4.124 0.663 -11.968 1.00 0.00 N ATOM 0 H GLN A 831 0.133 1.534 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 831 2.395 0.406 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.588 2.129 -10.594 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.613 3.328 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.962 2.938 -12.329 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.398 2.945 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.803 1.311 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 831 4.427 -0.253 -12.299 1.00 0.00 H new ATOM 1164 N ALA A 832 2.936 2.658 -7.458 1.00 0.00 N ATOM 1165 CA ALA A 832 3.960 3.274 -6.626 1.00 0.00 C ATOM 1166 C ALA A 832 4.751 2.225 -5.852 1.00 0.00 C ATOM 1167 O ALA A 832 5.981 2.272 -5.813 1.00 0.00 O ATOM 1168 CB ALA A 832 3.331 4.278 -5.673 1.00 0.00 C ATOM 0 H ALA A 832 1.981 2.907 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 832 4.656 3.798 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.108 4.731 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.823 5.054 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.610 3.770 -5.032 1.00 0.00 H new ATOM 1174 N THR A 833 4.052 1.274 -5.244 1.00 0.00 N ATOM 1175 CA THR A 833 4.715 0.202 -4.515 1.00 0.00 C ATOM 1176 C THR A 833 5.512 -0.697 -5.459 1.00 0.00 C ATOM 1177 O THR A 833 6.566 -1.214 -5.089 1.00 0.00 O ATOM 1178 CB THR A 833 3.707 -0.641 -3.719 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.764 0.220 -3.071 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.418 -1.492 -2.679 1.00 0.00 C ATOM 0 H THR A 833 3.033 1.224 -5.241 1.00 0.00 H new ATOM 0 HA THR A 833 5.405 0.671 -3.813 1.00 0.00 H new ATOM 0 HB THR A 833 3.186 -1.302 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.125 -0.320 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.685 -2.080 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.121 -2.161 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.959 -0.846 -1.988 1.00 0.00 H new ATOM 1188 N SER A 834 5.014 -0.871 -6.681 1.00 0.00 N ATOM 1189 CA SER A 834 5.743 -1.618 -7.700 1.00 0.00 C ATOM 1190 C SER A 834 7.096 -0.959 -7.952 1.00 0.00 C ATOM 1191 O SER A 834 8.124 -1.632 -8.044 1.00 0.00 O ATOM 1192 CB SER A 834 4.942 -1.678 -9.001 1.00 0.00 C ATOM 1193 OG SER A 834 4.481 -2.994 -9.268 1.00 0.00 O ATOM 0 H SER A 834 4.112 -0.506 -6.988 1.00 0.00 H new ATOM 0 HA SER A 834 5.897 -2.636 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.091 -0.999 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.563 -1.334 -9.828 1.00 0.00 H new ATOM 0 HG SER A 834 3.971 -2.999 -10.105 1.00 0.00 H new ATOM 1199 N ASP A 835 7.081 0.365 -8.038 1.00 0.00 N ATOM 1200 CA ASP A 835 8.300 1.140 -8.221 1.00 0.00 C ATOM 1201 C ASP A 835 9.210 0.994 -7.006 1.00 0.00 C ATOM 1202 O ASP A 835 10.407 0.745 -7.144 1.00 0.00 O ATOM 1203 CB ASP A 835 7.959 2.617 -8.439 1.00 0.00 C ATOM 1204 CG ASP A 835 8.920 3.308 -9.384 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.087 3.531 -9.002 1.00 0.00 O ATOM 1206 OD2 ASP A 835 8.505 3.645 -10.517 1.00 0.00 O ATOM 0 H ASP A 835 6.232 0.927 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 835 8.822 0.761 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 835 6.947 2.697 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.967 3.133 -7.479 1.00 0.00 H new ATOM 1211 N LEU A 836 8.620 1.125 -5.819 1.00 0.00 N ATOM 1212 CA LEU A 836 9.365 1.063 -4.564 1.00 0.00 C ATOM 1213 C LEU A 836 10.044 -0.292 -4.375 1.00 0.00 C ATOM 1214 O LEU A 836 11.250 -0.357 -4.145 1.00 0.00 O ATOM 1215 CB LEU A 836 8.423 1.343 -3.384 1.00 0.00 C ATOM 1216 CG LEU A 836 9.017 1.134 -1.987 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.177 2.092 -1.748 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.949 1.323 -0.923 1.00 0.00 C ATOM 0 H LEU A 836 7.618 1.276 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 836 10.145 1.824 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.075 2.373 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.547 0.703 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 836 9.395 0.113 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.585 1.928 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.954 1.915 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.823 3.120 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.387 1.171 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.545 2.333 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.148 0.601 -1.079 1.00 0.00 H new ATOM 1230 N VAL A 837 9.280 -1.370 -4.503 1.00 0.00 N ATOM 1231 CA VAL A 837 9.803 -2.708 -4.243 1.00 0.00 C ATOM 1232 C VAL A 837 10.870 -3.088 -5.271 1.00 0.00 C ATOM 1233 O VAL A 837 11.875 -3.715 -4.931 1.00 0.00 O ATOM 1234 CB VAL A 837 8.673 -3.766 -4.223 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.234 -5.175 -4.074 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.692 -3.468 -3.096 1.00 0.00 C ATOM 0 H VAL A 837 8.300 -1.346 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 837 10.264 -2.690 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 837 8.148 -3.713 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.415 -5.894 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.897 -5.393 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.792 -5.248 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.902 -4.219 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.217 -3.490 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.254 -2.481 -3.247 1.00 0.00 H new ATOM 1246 N ASN A 838 10.669 -2.684 -6.520 1.00 0.00 N ATOM 1247 CA ASN A 838 11.649 -2.958 -7.567 1.00 0.00 C ATOM 1248 C ASN A 838 12.908 -2.127 -7.354 1.00 0.00 C ATOM 1249 O ASN A 838 14.018 -2.587 -7.620 1.00 0.00 O ATOM 1250 CB ASN A 838 11.069 -2.675 -8.951 1.00 0.00 C ATOM 1251 CG ASN A 838 11.603 -3.628 -10.004 1.00 0.00 C ATOM 1252 OD1 ASN A 838 10.969 -4.634 -10.325 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.763 -3.318 -10.560 1.00 0.00 N ATOM 0 H ASN A 838 9.845 -2.170 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 838 11.908 -4.015 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.983 -2.753 -8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.304 -1.650 -9.239 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.161 -3.921 -11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 838 13.260 -2.476 -10.268 1.00 0.00 H new ATOM 1260 N ALA A 839 12.728 -0.903 -6.866 1.00 0.00 N ATOM 1261 CA ALA A 839 13.849 -0.025 -6.559 1.00 0.00 C ATOM 1262 C ALA A 839 14.731 -0.649 -5.488 1.00 0.00 C ATOM 1263 O ALA A 839 15.958 -0.657 -5.601 1.00 0.00 O ATOM 1264 CB ALA A 839 13.347 1.336 -6.104 1.00 0.00 C ATOM 0 H ALA A 839 11.812 -0.497 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 839 14.442 0.109 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.197 1.980 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.750 1.787 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.734 1.218 -5.210 1.00 0.00 H new ATOM 1270 N ILE A 840 14.089 -1.177 -4.453 1.00 0.00 N ATOM 1271 CA ILE A 840 14.792 -1.861 -3.380 1.00 0.00 C ATOM 1272 C ILE A 840 15.448 -3.134 -3.896 1.00 0.00 C ATOM 1273 O ILE A 840 16.578 -3.442 -3.540 1.00 0.00 O ATOM 1274 CB ILE A 840 13.844 -2.221 -2.221 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.119 -0.977 -1.717 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.609 -2.879 -1.084 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.749 -1.273 -1.158 1.00 0.00 C ATOM 0 H ILE A 840 13.076 -1.143 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 840 15.555 -1.176 -3.010 1.00 0.00 H new ATOM 0 HB ILE A 840 13.105 -2.929 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.724 -0.499 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.024 -0.263 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.920 -3.125 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.085 -3.791 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.372 -2.194 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.287 -0.346 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.129 -1.723 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.840 -1.963 -0.319 1.00 0.00 H new ATOM 1289 N LYS A 841 14.731 -3.862 -4.743 1.00 0.00 N ATOM 1290 CA LYS A 841 15.245 -5.098 -5.324 1.00 0.00 C ATOM 1291 C LYS A 841 16.565 -4.853 -6.051 1.00 0.00 C ATOM 1292 O LYS A 841 17.555 -5.543 -5.812 1.00 0.00 O ATOM 1293 CB LYS A 841 14.219 -5.694 -6.289 1.00 0.00 C ATOM 1294 CG LYS A 841 14.518 -7.128 -6.695 1.00 0.00 C ATOM 1295 CD LYS A 841 13.590 -7.598 -7.801 1.00 0.00 C ATOM 1296 CE LYS A 841 14.054 -8.917 -8.396 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.220 -8.735 -9.298 1.00 0.00 N ATOM 0 H LYS A 841 13.788 -3.617 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 841 15.426 -5.804 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.233 -5.656 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.174 -5.075 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.553 -7.204 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 841 14.414 -7.782 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.580 -7.711 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.543 -6.841 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.319 -9.605 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.234 -9.375 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 15.433 -9.634 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 14.999 -8.009 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 16.046 -8.434 -8.742 1.00 0.00 H new ATOM 1508 N LEU A 856 15.595 -6.120 3.401 1.00 0.00 N ATOM 1509 CA LEU A 856 15.009 -5.121 2.543 1.00 0.00 C ATOM 1510 C LEU A 856 13.845 -5.711 1.760 1.00 0.00 C ATOM 1511 O LEU A 856 12.746 -5.155 1.737 1.00 0.00 O ATOM 1512 CB LEU A 856 16.081 -4.628 1.577 1.00 0.00 C ATOM 1513 CG LEU A 856 17.287 -3.942 2.224 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.289 -3.517 1.162 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.845 -2.737 3.043 1.00 0.00 C ATOM 0 HA LEU A 856 14.633 -4.295 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.438 -5.477 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.621 -3.931 0.877 1.00 0.00 H new ATOM 0 HG LEU A 856 17.768 -4.656 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.140 -3.031 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.632 -4.394 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.814 -2.821 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.717 -2.264 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.339 -2.022 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 856 16.162 -3.061 3.828 1.00 0.00 H new ATOM 1527 N LEU A 857 14.097 -6.855 1.145 1.00 0.00 N ATOM 1528 CA LEU A 857 13.104 -7.527 0.326 1.00 0.00 C ATOM 1529 C LEU A 857 11.994 -8.126 1.190 1.00 0.00 C ATOM 1530 O LEU A 857 10.843 -8.209 0.760 1.00 0.00 O ATOM 1531 CB LEU A 857 13.783 -8.601 -0.522 1.00 0.00 C ATOM 1532 CG LEU A 857 15.053 -8.124 -1.235 1.00 0.00 C ATOM 1533 CD1 LEU A 857 15.950 -9.301 -1.587 1.00 0.00 C ATOM 1534 CD2 LEU A 857 14.692 -7.336 -2.484 1.00 0.00 C ATOM 0 H LEU A 857 14.992 -7.341 1.200 1.00 0.00 H new ATOM 0 HA LEU A 857 12.639 -6.797 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.034 -9.448 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.074 -8.962 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 857 15.602 -7.471 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 857 16.845 -8.938 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.236 -9.826 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.413 -9.983 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.604 -7.003 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.120 -7.970 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.093 -6.469 -2.207 1.00 0.00 H new ATOM 1546 N SER A 858 12.343 -8.531 2.408 1.00 0.00 N ATOM 1547 CA SER A 858 11.357 -9.014 3.369 1.00 0.00 C ATOM 1548 C SER A 858 10.383 -7.897 3.745 1.00 0.00 C ATOM 1549 O SER A 858 9.180 -8.129 3.889 1.00 0.00 O ATOM 1550 CB SER A 858 12.050 -9.549 4.624 1.00 0.00 C ATOM 1551 OG SER A 858 12.912 -10.633 4.311 1.00 0.00 O ATOM 0 H SER A 858 13.303 -8.534 2.753 1.00 0.00 H new ATOM 0 HA SER A 858 10.797 -9.825 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.622 -8.750 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.301 -9.873 5.346 1.00 0.00 H new ATOM 0 HG SER A 858 13.343 -10.955 5.130 1.00 0.00 H new ATOM 1557 N ALA A 859 10.907 -6.686 3.899 1.00 0.00 N ATOM 1558 CA ALA A 859 10.079 -5.526 4.202 1.00 0.00 C ATOM 1559 C ALA A 859 9.264 -5.118 2.981 1.00 0.00 C ATOM 1560 O ALA A 859 8.082 -4.786 3.090 1.00 0.00 O ATOM 1561 CB ALA A 859 10.942 -4.368 4.683 1.00 0.00 C ATOM 0 H ALA A 859 11.903 -6.483 3.819 1.00 0.00 H new ATOM 0 HA ALA A 859 9.387 -5.794 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.308 -3.510 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.480 -4.665 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.657 -4.100 3.905 1.00 0.00 H new ATOM 1567 N ALA A 860 9.899 -5.165 1.815 1.00 0.00 N ATOM 1568 CA ALA A 860 9.229 -4.853 0.558 1.00 0.00 C ATOM 1569 C ALA A 860 8.108 -5.851 0.278 1.00 0.00 C ATOM 1570 O ALA A 860 7.126 -5.531 -0.393 1.00 0.00 O ATOM 1571 CB ALA A 860 10.233 -4.846 -0.583 1.00 0.00 C ATOM 0 H ALA A 860 10.882 -5.418 1.714 1.00 0.00 H new ATOM 0 HA ALA A 860 8.785 -3.861 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.721 -4.612 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 860 10.998 -4.094 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.701 -5.827 -0.662 1.00 0.00 H new ATOM 1577 N LYS A 861 8.266 -7.060 0.804 1.00 0.00 N ATOM 1578 CA LYS A 861 7.249 -8.093 0.683 1.00 0.00 C ATOM 1579 C LYS A 861 5.968 -7.652 1.373 1.00 0.00 C ATOM 1580 O LYS A 861 4.868 -7.846 0.853 1.00 0.00 O ATOM 1581 CB LYS A 861 7.757 -9.396 1.298 1.00 0.00 C ATOM 1582 CG LYS A 861 7.572 -10.610 0.406 1.00 0.00 C ATOM 1583 CD LYS A 861 8.908 -11.137 -0.091 1.00 0.00 C ATOM 1584 CE LYS A 861 8.936 -12.657 -0.126 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.833 -13.217 -0.950 1.00 0.00 N ATOM 0 H LYS A 861 9.096 -7.349 1.322 1.00 0.00 H new ATOM 0 HA LYS A 861 7.036 -8.259 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.816 -9.287 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.238 -9.568 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.052 -11.393 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.943 -10.347 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.104 -10.746 -1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 861 9.706 -10.773 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.893 -12.993 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.862 -13.044 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 7.958 -14.245 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 6.921 -13.020 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.847 -12.779 -1.893 1.00 0.00 H new ATOM 1599 N ILE A 862 6.122 -7.043 2.546 1.00 0.00 N ATOM 1600 CA ILE A 862 4.988 -6.506 3.285 1.00 0.00 C ATOM 1601 C ILE A 862 4.381 -5.337 2.523 1.00 0.00 C ATOM 1602 O ILE A 862 3.163 -5.206 2.445 1.00 0.00 O ATOM 1603 CB ILE A 862 5.384 -6.030 4.700 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.440 -6.954 5.310 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.157 -5.962 5.599 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.243 -6.303 6.417 1.00 0.00 C ATOM 0 H ILE A 862 7.024 -6.910 3.004 1.00 0.00 H new ATOM 0 HA ILE A 862 4.263 -7.313 3.390 1.00 0.00 H new ATOM 0 HB ILE A 862 5.812 -5.031 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.949 -7.845 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.120 -7.285 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.452 -5.625 6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.436 -5.262 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.703 -6.951 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.973 -7.014 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.762 -5.428 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.573 -5.997 7.221 1.00 0.00 H new ATOM 1618 N LEU A 863 5.248 -4.499 1.959 1.00 0.00 N ATOM 1619 CA LEU A 863 4.818 -3.371 1.137 1.00 0.00 C ATOM 1620 C LEU A 863 3.867 -3.843 0.042 1.00 0.00 C ATOM 1621 O LEU A 863 2.750 -3.340 -0.087 1.00 0.00 O ATOM 1622 CB LEU A 863 6.031 -2.686 0.492 1.00 0.00 C ATOM 1623 CG LEU A 863 6.478 -1.368 1.130 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.280 -0.491 1.466 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.314 -1.641 2.372 1.00 0.00 C ATOM 0 H LEU A 863 6.260 -4.581 2.058 1.00 0.00 H new ATOM 0 HA LEU A 863 4.302 -2.659 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.870 -3.381 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.802 -2.499 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 863 7.093 -0.829 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.625 0.439 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.726 -0.268 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.630 -1.016 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.625 -0.696 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.721 -2.203 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.195 -2.221 2.097 1.00 0.00 H new ATOM 1637 N ALA A 864 4.317 -4.828 -0.725 1.00 0.00 N ATOM 1638 CA ALA A 864 3.546 -5.359 -1.840 1.00 0.00 C ATOM 1639 C ALA A 864 2.252 -6.016 -1.368 1.00 0.00 C ATOM 1640 O ALA A 864 1.182 -5.761 -1.922 1.00 0.00 O ATOM 1641 CB ALA A 864 4.385 -6.348 -2.633 1.00 0.00 C ATOM 0 H ALA A 864 5.222 -5.279 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 864 3.274 -4.524 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.798 -6.739 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.272 -5.845 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.688 -7.170 -1.985 1.00 0.00 H new ATOM 1647 N ASP A 865 2.352 -6.848 -0.334 1.00 0.00 N ATOM 1648 CA ASP A 865 1.188 -7.561 0.192 1.00 0.00 C ATOM 1649 C ASP A 865 0.145 -6.585 0.723 1.00 0.00 C ATOM 1650 O ASP A 865 -1.047 -6.712 0.434 1.00 0.00 O ATOM 1651 CB ASP A 865 1.605 -8.529 1.301 1.00 0.00 C ATOM 1652 CG ASP A 865 0.417 -9.104 2.050 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.408 -9.806 1.431 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.303 -8.864 3.270 1.00 0.00 O ATOM 0 H ASP A 865 3.224 -7.046 0.156 1.00 0.00 H new ATOM 0 HA ASP A 865 0.747 -8.129 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.186 -9.343 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.257 -8.011 2.004 1.00 0.00 H new ATOM 1659 N ALA A 866 0.601 -5.602 1.488 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.285 -4.585 2.032 1.00 0.00 C ATOM 1661 C ALA A 866 -0.949 -3.801 0.907 1.00 0.00 C ATOM 1662 O ALA A 866 -2.129 -3.464 0.988 1.00 0.00 O ATOM 1663 CB ALA A 866 0.479 -3.650 2.956 1.00 0.00 C ATOM 0 H ALA A 866 1.581 -5.488 1.745 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.063 -5.080 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.200 -2.896 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.908 -4.222 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.278 -3.161 2.399 1.00 0.00 H new ATOM 1669 N THR A 867 -0.190 -3.534 -0.151 1.00 0.00 N ATOM 1670 CA THR A 867 -0.713 -2.819 -1.306 1.00 0.00 C ATOM 1671 C THR A 867 -1.792 -3.638 -2.010 1.00 0.00 C ATOM 1672 O THR A 867 -2.804 -3.091 -2.450 1.00 0.00 O ATOM 1673 CB THR A 867 0.407 -2.467 -2.303 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.415 -1.692 -1.643 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.139 -1.683 -3.488 1.00 0.00 C ATOM 0 H THR A 867 0.791 -3.803 -0.231 1.00 0.00 H new ATOM 0 HA THR A 867 -1.154 -1.891 -0.940 1.00 0.00 H new ATOM 0 HB THR A 867 0.837 -3.398 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.895 -2.257 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.674 -1.449 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.890 -2.281 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.593 -0.757 -3.134 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.583 -4.948 -2.104 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.582 -5.829 -2.693 1.00 0.00 C ATOM 1685 C ALA A 868 -3.847 -5.812 -1.859 1.00 0.00 C ATOM 1686 O ALA A 868 -4.946 -5.685 -2.390 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.067 -7.251 -2.811 1.00 0.00 C ATOM 0 H ALA A 868 -0.737 -5.419 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.800 -5.462 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.838 -7.881 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.179 -7.265 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.814 -7.630 -1.821 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.681 -5.932 -0.547 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.804 -5.870 0.376 1.00 0.00 C ATOM 1695 C LYS A 869 -5.521 -4.532 0.240 1.00 0.00 C ATOM 1696 O LYS A 869 -6.745 -4.476 0.208 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.324 -6.064 1.814 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.621 -7.445 2.374 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.506 -8.429 2.057 1.00 0.00 C ATOM 1700 CE LYS A 869 -3.436 -9.545 3.086 1.00 0.00 C ATOM 1701 NZ LYS A 869 -2.262 -9.398 3.986 1.00 0.00 N ATOM 0 H LYS A 869 -2.776 -6.073 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.500 -6.672 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.249 -5.888 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.795 -5.314 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.753 -7.380 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -5.560 -7.812 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.667 -8.856 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.553 -7.902 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -4.350 -9.549 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -3.384 -10.507 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -1.914 -10.339 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -1.508 -8.880 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -2.542 -8.871 4.838 1.00 0.00 H new ATOM 1715 N MET A 870 -4.738 -3.464 0.149 1.00 0.00 N ATOM 1716 CA MET A 870 -5.275 -2.117 -0.010 1.00 0.00 C ATOM 1717 C MET A 870 -6.069 -2.000 -1.305 1.00 0.00 C ATOM 1718 O MET A 870 -7.224 -1.567 -1.302 1.00 0.00 O ATOM 1719 CB MET A 870 -4.139 -1.093 -0.001 1.00 0.00 C ATOM 1720 CG MET A 870 -4.414 0.120 0.872 1.00 0.00 C ATOM 1721 SD MET A 870 -6.169 0.363 1.200 1.00 0.00 S ATOM 1722 CE MET A 870 -6.548 1.627 -0.003 1.00 0.00 C ATOM 0 H MET A 870 -3.719 -3.506 0.183 1.00 0.00 H new ATOM 0 HA MET A 870 -5.945 -1.916 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.227 -1.579 0.345 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.955 -0.760 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.885 0.008 1.818 1.00 0.00 H new ATOM 0 HG3 MET A 870 -4.014 1.010 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.608 1.585 -0.253 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.311 2.607 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.956 1.462 -0.903 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.451 -2.397 -2.409 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.090 -2.321 -3.711 1.00 0.00 C ATOM 1734 C VAL A 871 -7.333 -3.211 -3.754 1.00 0.00 C ATOM 1735 O VAL A 871 -8.357 -2.832 -4.316 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.096 -2.689 -4.850 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.388 -4.050 -5.471 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.103 -1.613 -5.921 1.00 0.00 C ATOM 0 H VAL A 871 -4.504 -2.776 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.405 -1.290 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.106 -2.751 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.663 -4.253 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.317 -4.822 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.393 -4.049 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.403 -1.883 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.106 -1.522 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.805 -0.661 -5.482 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.244 -4.371 -3.115 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.328 -5.339 -3.126 1.00 0.00 C ATOM 1750 C GLU A 872 -9.469 -4.893 -2.213 1.00 0.00 C ATOM 1751 O GLU A 872 -10.640 -5.150 -2.500 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.800 -6.716 -2.713 1.00 0.00 C ATOM 1753 CG GLU A 872 -7.581 -7.648 -3.891 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.868 -8.007 -4.598 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -9.356 -7.199 -5.416 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.396 -9.109 -4.348 1.00 0.00 O ATOM 0 H GLU A 872 -6.426 -4.663 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.726 -5.407 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.860 -6.592 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.505 -7.176 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -6.901 -7.177 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.096 -8.560 -3.542 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.126 -4.219 -1.122 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.125 -3.681 -0.209 1.00 0.00 C ATOM 1765 C ALA A 873 -10.859 -2.515 -0.854 1.00 0.00 C ATOM 1766 O ALA A 873 -12.085 -2.421 -0.781 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.477 -3.239 1.096 1.00 0.00 C ATOM 0 H ALA A 873 -8.161 -4.032 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.845 -4.468 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.240 -2.840 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.991 -4.093 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.735 -2.467 0.891 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.101 -1.637 -1.500 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.672 -0.489 -2.188 1.00 0.00 C ATOM 1775 C ALA A 874 -11.555 -0.936 -3.347 1.00 0.00 C ATOM 1776 O ALA A 874 -12.573 -0.313 -3.641 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.570 0.435 -2.685 1.00 0.00 C ATOM 0 H ALA A 874 -9.085 -1.700 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.292 0.059 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -10.014 1.288 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.981 0.787 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.925 -0.107 -3.376 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.157 -2.024 -4.000 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.936 -2.584 -5.096 1.00 0.00 C ATOM 1785 C LYS A 875 -13.230 -3.197 -4.573 1.00 0.00 C ATOM 1786 O LYS A 875 -14.294 -3.038 -5.174 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.132 -3.653 -5.840 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.131 -3.100 -6.842 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.021 -4.104 -7.114 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.332 -3.838 -8.440 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.344 -5.035 -9.321 1.00 0.00 N ATOM 0 H LYS A 875 -10.300 -2.534 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.175 -1.774 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.599 -4.263 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.824 -4.313 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.641 -2.855 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.703 -2.173 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.288 -4.062 -6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.435 -5.112 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.827 -3.010 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.302 -3.531 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -7.864 -4.812 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.849 -5.819 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.327 -5.313 -9.515 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.128 -3.908 -3.457 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.295 -4.524 -2.860 1.00 0.00 C ATOM 1807 C GLY A 876 -15.277 -3.493 -2.346 1.00 0.00 C ATOM 1808 O GLY A 876 -16.487 -3.624 -2.532 1.00 0.00 O ATOM 0 H GLY A 876 -12.255 -4.069 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.787 -5.159 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.984 -5.170 -2.039 1.00 0.00 H new