USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 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 79:sc= 0.633 USER MOD Set 1.2: A 867 THR OG1 : rot 61:sc= 0.775 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.206 K(o=1.1,f=-1.2!) USER MOD Set 2.2: A 825 GLN : amide:sc= 0.917 K(o=1.1,f=-6.3!) USER MOD Single : A 772 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 779 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.84) USER MOD Single : A 802 THR OG1 : rot 130:sc= -0.122 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 814 SER OG : rot 87:sc= 1.3 USER MOD Single : A 815 SER OG : rot 84:sc= 1.2 USER MOD Single : A 816 MET CE :methyl 165:sc= 0 (180deg=-0.0212) USER MOD Single : A 822 MET CE :methyl 165:sc= -0.0947 (180deg=-0.653) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 83:sc= 1.22 USER MOD Single : A 838 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.26) 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+ -151:sc= 1.23 (180deg=1.03) USER MOD Single : A 870 MET CE :methyl 149:sc= -6.36! (180deg=-7.47!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -11.838 -3.429 6.232 1.00 0.00 N ATOM 221 CA GLY A 766 -11.147 -3.817 5.021 1.00 0.00 C ATOM 222 C GLY A 766 -10.175 -2.757 4.546 1.00 0.00 C ATOM 223 O GLY A 766 -8.961 -2.958 4.584 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.608 -4.748 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.877 -4.014 4.236 1.00 0.00 H new ATOM 227 N VAL A 767 -10.710 -1.615 4.123 1.00 0.00 N ATOM 228 CA VAL A 767 -9.896 -0.549 3.548 1.00 0.00 C ATOM 229 C VAL A 767 -8.975 0.073 4.589 1.00 0.00 C ATOM 230 O VAL A 767 -7.797 0.299 4.325 1.00 0.00 O ATOM 231 CB VAL A 767 -10.768 0.564 2.927 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.926 1.484 2.056 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.915 -0.031 2.127 1.00 0.00 C ATOM 0 H VAL A 767 -11.707 -1.404 4.168 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.296 -1.011 2.765 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.191 1.155 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.560 2.261 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.146 1.945 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.468 0.906 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.515 0.772 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.516 -0.652 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.538 -0.640 2.782 1.00 0.00 H new ATOM 243 N GLY A 768 -9.519 0.342 5.767 1.00 0.00 N ATOM 244 CA GLY A 768 -8.745 0.976 6.821 1.00 0.00 C ATOM 245 C GLY A 768 -7.516 0.177 7.200 1.00 0.00 C ATOM 246 O GLY A 768 -6.397 0.694 7.166 1.00 0.00 O ATOM 0 H GLY A 768 -10.486 0.133 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.441 1.971 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.375 1.107 7.701 1.00 0.00 H new ATOM 250 N ALA A 769 -7.719 -1.088 7.547 1.00 0.00 N ATOM 251 CA ALA A 769 -6.620 -1.969 7.922 1.00 0.00 C ATOM 252 C ALA A 769 -5.609 -2.100 6.787 1.00 0.00 C ATOM 253 O ALA A 769 -4.398 -2.073 7.015 1.00 0.00 O ATOM 254 CB ALA A 769 -7.150 -3.339 8.315 1.00 0.00 C ATOM 0 H ALA A 769 -8.639 -1.528 7.576 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.112 -1.528 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.317 -3.985 8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -7.828 -3.237 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.685 -3.778 7.473 1.00 0.00 H new ATOM 260 N ALA A 770 -6.116 -2.225 5.566 1.00 0.00 N ATOM 261 CA ALA A 770 -5.269 -2.364 4.389 1.00 0.00 C ATOM 262 C ALA A 770 -4.418 -1.117 4.171 1.00 0.00 C ATOM 263 O ALA A 770 -3.216 -1.210 3.918 1.00 0.00 O ATOM 264 CB ALA A 770 -6.123 -2.645 3.162 1.00 0.00 C ATOM 0 H ALA A 770 -7.116 -2.233 5.366 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.594 -3.204 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.481 -2.747 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.682 -3.569 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.819 -1.821 3.007 1.00 0.00 H new ATOM 270 N ALA A 771 -5.045 0.047 4.282 1.00 0.00 N ATOM 271 CA ALA A 771 -4.354 1.313 4.082 1.00 0.00 C ATOM 272 C ALA A 771 -3.303 1.544 5.162 1.00 0.00 C ATOM 273 O ALA A 771 -2.176 1.943 4.867 1.00 0.00 O ATOM 274 CB ALA A 771 -5.356 2.458 4.053 1.00 0.00 C ATOM 0 H ALA A 771 -6.035 0.140 4.510 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.839 1.273 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.828 3.400 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.062 2.303 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.897 2.492 4.999 1.00 0.00 H new ATOM 280 N THR A 772 -3.671 1.270 6.409 1.00 0.00 N ATOM 281 CA THR A 772 -2.753 1.433 7.529 1.00 0.00 C ATOM 282 C THR A 772 -1.543 0.515 7.377 1.00 0.00 C ATOM 283 O THR A 772 -0.424 0.880 7.741 1.00 0.00 O ATOM 284 CB THR A 772 -3.448 1.144 8.874 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.745 1.756 8.897 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.618 1.670 10.036 1.00 0.00 C ATOM 0 H THR A 772 -4.598 0.934 6.669 1.00 0.00 H new ATOM 0 HA THR A 772 -2.421 2.471 7.524 1.00 0.00 H new ATOM 0 HB THR A 772 -3.552 0.064 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.391 1.171 8.448 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.128 1.455 10.975 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.642 1.185 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.489 2.747 9.932 1.00 0.00 H new ATOM 294 N ALA A 773 -1.772 -0.672 6.823 1.00 0.00 N ATOM 295 CA ALA A 773 -0.693 -1.614 6.566 1.00 0.00 C ATOM 296 C ALA A 773 0.338 -1.001 5.626 1.00 0.00 C ATOM 297 O ALA A 773 1.542 -1.141 5.838 1.00 0.00 O ATOM 298 CB ALA A 773 -1.242 -2.910 5.990 1.00 0.00 C ATOM 0 H ALA A 773 -2.696 -1.002 6.544 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.201 -1.842 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.421 -3.602 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -1.940 -3.356 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.760 -2.702 5.054 1.00 0.00 H new ATOM 304 N VAL A 774 -0.143 -0.303 4.601 1.00 0.00 N ATOM 305 CA VAL A 774 0.735 0.381 3.658 1.00 0.00 C ATOM 306 C VAL A 774 1.522 1.477 4.367 1.00 0.00 C ATOM 307 O VAL A 774 2.736 1.583 4.199 1.00 0.00 O ATOM 308 CB VAL A 774 -0.059 0.995 2.481 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.798 1.969 1.682 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.588 -0.101 1.576 1.00 0.00 C ATOM 0 H VAL A 774 -1.138 -0.196 4.403 1.00 0.00 H new ATOM 0 HA VAL A 774 1.423 -0.362 3.255 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.899 1.550 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.211 2.383 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.133 2.777 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.665 1.445 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.145 0.345 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 774 0.246 -0.680 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.246 -0.757 2.146 1.00 0.00 H new ATOM 320 N THR A 775 0.828 2.269 5.178 1.00 0.00 N ATOM 321 CA THR A 775 1.461 3.348 5.922 1.00 0.00 C ATOM 322 C THR A 775 2.579 2.811 6.817 1.00 0.00 C ATOM 323 O THR A 775 3.676 3.370 6.865 1.00 0.00 O ATOM 324 CB THR A 775 0.435 4.097 6.791 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.834 4.143 6.125 1.00 0.00 O ATOM 326 CG2 THR A 775 0.910 5.509 7.091 1.00 0.00 C ATOM 0 H THR A 775 -0.176 2.182 5.336 1.00 0.00 H new ATOM 0 HA THR A 775 1.884 4.039 5.193 1.00 0.00 H new ATOM 0 HB THR A 775 0.328 3.559 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.481 4.620 6.686 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.169 6.019 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.859 5.468 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.043 6.054 6.157 1.00 0.00 H new ATOM 334 N GLN A 776 2.293 1.715 7.507 1.00 0.00 N ATOM 335 CA GLN A 776 3.256 1.106 8.411 1.00 0.00 C ATOM 336 C GLN A 776 4.416 0.488 7.640 1.00 0.00 C ATOM 337 O GLN A 776 5.577 0.722 7.970 1.00 0.00 O ATOM 338 CB GLN A 776 2.574 0.046 9.273 1.00 0.00 C ATOM 339 CG GLN A 776 1.784 0.630 10.432 1.00 0.00 C ATOM 340 CD GLN A 776 2.607 0.746 11.699 1.00 0.00 C ATOM 341 OE1 GLN A 776 3.528 1.561 11.788 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.279 -0.070 12.687 1.00 0.00 N ATOM 0 H GLN A 776 1.398 1.229 7.457 1.00 0.00 H new ATOM 0 HA GLN A 776 3.655 1.888 9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.905 -0.545 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.330 -0.635 9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.412 1.616 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.913 0.004 10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.509 -0.729 12.570 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.796 -0.040 13.566 1.00 0.00 H new ATOM 351 N ALA A 777 4.098 -0.292 6.611 1.00 0.00 N ATOM 352 CA ALA A 777 5.118 -0.950 5.800 1.00 0.00 C ATOM 353 C ALA A 777 6.052 0.070 5.162 1.00 0.00 C ATOM 354 O ALA A 777 7.273 -0.094 5.183 1.00 0.00 O ATOM 355 CB ALA A 777 4.469 -1.812 4.726 1.00 0.00 C ATOM 0 H ALA A 777 3.140 -0.484 6.318 1.00 0.00 H new ATOM 0 HA ALA A 777 5.708 -1.589 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.243 -2.295 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.846 -2.572 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.852 -1.186 4.081 1.00 0.00 H new ATOM 361 N LEU A 778 5.468 1.125 4.609 1.00 0.00 N ATOM 362 CA LEU A 778 6.234 2.184 3.972 1.00 0.00 C ATOM 363 C LEU A 778 7.162 2.858 4.973 1.00 0.00 C ATOM 364 O LEU A 778 8.351 3.037 4.711 1.00 0.00 O ATOM 365 CB LEU A 778 5.295 3.222 3.363 1.00 0.00 C ATOM 366 CG LEU A 778 5.934 4.136 2.321 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.905 3.475 0.956 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.222 5.477 2.284 1.00 0.00 C ATOM 0 H LEU A 778 4.458 1.269 4.590 1.00 0.00 H new ATOM 0 HA LEU A 778 6.838 1.737 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.454 2.704 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.889 3.838 4.165 1.00 0.00 H new ATOM 0 HG LEU A 778 6.974 4.310 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.364 4.137 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.458 2.537 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.872 3.276 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.690 6.117 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.174 5.325 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.291 5.953 3.262 1.00 0.00 H new ATOM 380 N ASN A 779 6.610 3.214 6.128 1.00 0.00 N ATOM 381 CA ASN A 779 7.379 3.893 7.162 1.00 0.00 C ATOM 382 C ASN A 779 8.495 2.996 7.682 1.00 0.00 C ATOM 383 O ASN A 779 9.569 3.472 8.048 1.00 0.00 O ATOM 384 CB ASN A 779 6.468 4.321 8.314 1.00 0.00 C ATOM 385 CG ASN A 779 6.400 5.828 8.461 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.383 6.531 8.235 1.00 0.00 O ATOM 387 ND2 ASN A 779 5.239 6.338 8.844 1.00 0.00 N ATOM 0 H ASN A 779 5.634 3.043 6.371 1.00 0.00 H new ATOM 0 HA ASN A 779 7.828 4.783 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.465 3.928 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.831 3.883 9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 779 5.139 7.346 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.445 5.722 9.022 1.00 0.00 H new ATOM 394 N GLU A 780 8.233 1.696 7.703 1.00 0.00 N ATOM 395 CA GLU A 780 9.223 0.711 8.123 1.00 0.00 C ATOM 396 C GLU A 780 10.396 0.684 7.156 1.00 0.00 C ATOM 397 O GLU A 780 11.549 0.900 7.540 1.00 0.00 O ATOM 398 CB GLU A 780 8.592 -0.680 8.174 1.00 0.00 C ATOM 399 CG GLU A 780 7.864 -0.971 9.473 1.00 0.00 C ATOM 400 CD GLU A 780 8.734 -1.713 10.463 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.481 -1.054 11.217 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.675 -2.960 10.494 1.00 0.00 O ATOM 0 H GLU A 780 7.335 1.296 7.432 1.00 0.00 H new ATOM 0 HA GLU A 780 9.579 0.992 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.892 -0.783 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.371 -1.428 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.529 -0.034 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.972 -1.561 9.263 1.00 0.00 H new ATOM 409 N LEU A 781 10.077 0.424 5.899 1.00 0.00 N ATOM 410 CA LEU A 781 11.072 0.285 4.850 1.00 0.00 C ATOM 411 C LEU A 781 11.893 1.558 4.692 1.00 0.00 C ATOM 412 O LEU A 781 13.100 1.495 4.481 1.00 0.00 O ATOM 413 CB LEU A 781 10.371 -0.057 3.536 1.00 0.00 C ATOM 414 CG LEU A 781 11.272 -0.130 2.308 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.504 -1.579 1.911 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.657 0.656 1.162 1.00 0.00 C ATOM 0 H LEU A 781 9.117 0.303 5.577 1.00 0.00 H new ATOM 0 HA LEU A 781 11.757 -0.517 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.868 -1.017 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.597 0.689 3.353 1.00 0.00 H new ATOM 0 HG LEU A 781 12.238 0.315 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.149 -1.617 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.981 -2.110 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.549 -2.050 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.308 0.598 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.682 0.237 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.539 1.699 1.458 1.00 0.00 H new ATOM 428 N LEU A 782 11.237 2.705 4.814 1.00 0.00 N ATOM 429 CA LEU A 782 11.887 3.995 4.607 1.00 0.00 C ATOM 430 C LEU A 782 13.131 4.160 5.478 1.00 0.00 C ATOM 431 O LEU A 782 14.220 4.432 4.966 1.00 0.00 O ATOM 432 CB LEU A 782 10.906 5.132 4.879 1.00 0.00 C ATOM 433 CG LEU A 782 10.216 5.689 3.637 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.126 6.673 4.028 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.238 6.343 2.716 1.00 0.00 C ATOM 0 H LEU A 782 10.248 2.769 5.057 1.00 0.00 H new ATOM 0 HA LEU A 782 12.207 4.031 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 782 10.144 4.778 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.439 5.942 5.376 1.00 0.00 H new ATOM 0 HG LEU A 782 9.747 4.866 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.645 7.060 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.385 6.168 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.565 7.498 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.733 6.736 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.734 7.157 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.979 5.604 2.411 1.00 0.00 H new ATOM 701 N ALA A 801 9.002 8.645 -4.297 1.00 0.00 N ATOM 702 CA ALA A 801 8.113 7.509 -4.496 1.00 0.00 C ATOM 703 C ALA A 801 7.244 7.271 -3.265 1.00 0.00 C ATOM 704 O ALA A 801 6.025 7.143 -3.373 1.00 0.00 O ATOM 705 CB ALA A 801 8.914 6.258 -4.829 1.00 0.00 C ATOM 0 HA ALA A 801 7.456 7.738 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.234 5.419 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.486 6.424 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.597 6.034 -4.009 1.00 0.00 H new ATOM 711 N THR A 802 7.872 7.236 -2.095 1.00 0.00 N ATOM 712 CA THR A 802 7.152 6.989 -0.854 1.00 0.00 C ATOM 713 C THR A 802 6.195 8.135 -0.541 1.00 0.00 C ATOM 714 O THR A 802 5.108 7.913 -0.010 1.00 0.00 O ATOM 715 CB THR A 802 8.114 6.777 0.330 1.00 0.00 C ATOM 716 OG1 THR A 802 9.095 7.819 0.363 1.00 0.00 O ATOM 717 CG2 THR A 802 8.809 5.427 0.221 1.00 0.00 C ATOM 0 H THR A 802 8.876 7.375 -1.981 1.00 0.00 H new ATOM 0 HA THR A 802 6.577 6.074 -0.996 1.00 0.00 H new ATOM 0 HB THR A 802 7.531 6.801 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.139 8.198 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.484 5.296 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.063 4.632 0.226 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.378 5.385 -0.708 1.00 0.00 H new ATOM 725 N ASP A 803 6.598 9.357 -0.883 1.00 0.00 N ATOM 726 CA ASP A 803 5.729 10.521 -0.728 1.00 0.00 C ATOM 727 C ASP A 803 4.460 10.334 -1.542 1.00 0.00 C ATOM 728 O ASP A 803 3.354 10.555 -1.052 1.00 0.00 O ATOM 729 CB ASP A 803 6.434 11.802 -1.181 1.00 0.00 C ATOM 730 CG ASP A 803 5.540 13.021 -1.060 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.440 13.591 0.050 1.00 0.00 O ATOM 732 OD2 ASP A 803 4.932 13.417 -2.076 1.00 0.00 O ATOM 0 H ASP A 803 7.519 9.566 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 803 5.481 10.615 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.332 11.952 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.756 11.691 -2.216 1.00 0.00 H new ATOM 737 N THR A 804 4.636 9.917 -2.788 1.00 0.00 N ATOM 738 CA THR A 804 3.516 9.644 -3.675 1.00 0.00 C ATOM 739 C THR A 804 2.621 8.549 -3.094 1.00 0.00 C ATOM 740 O THR A 804 1.399 8.684 -3.069 1.00 0.00 O ATOM 741 CB THR A 804 4.008 9.231 -5.076 1.00 0.00 C ATOM 742 OG1 THR A 804 5.054 10.117 -5.505 1.00 0.00 O ATOM 743 CG2 THR A 804 2.871 9.260 -6.087 1.00 0.00 C ATOM 0 H THR A 804 5.552 9.760 -3.209 1.00 0.00 H new ATOM 0 HA THR A 804 2.935 10.562 -3.768 1.00 0.00 H new ATOM 0 HB THR A 804 4.389 8.212 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.365 9.850 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.247 8.964 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.089 8.568 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.461 10.268 -6.145 1.00 0.00 H new ATOM 751 N ILE A 805 3.244 7.481 -2.602 1.00 0.00 N ATOM 752 CA ILE A 805 2.509 6.380 -1.986 1.00 0.00 C ATOM 753 C ILE A 805 1.716 6.864 -0.779 1.00 0.00 C ATOM 754 O ILE A 805 0.502 6.686 -0.722 1.00 0.00 O ATOM 755 CB ILE A 805 3.457 5.241 -1.551 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.957 4.476 -2.772 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.765 4.290 -0.581 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.370 3.976 -2.618 1.00 0.00 C ATOM 0 H ILE A 805 4.256 7.355 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 805 1.821 5.994 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 805 4.309 5.687 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.297 3.629 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.900 5.123 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.456 3.498 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.452 4.840 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.892 3.851 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.667 3.440 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.040 4.821 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.427 3.304 -1.762 1.00 0.00 H new ATOM 770 N LEU A 806 2.408 7.485 0.172 1.00 0.00 N ATOM 771 CA LEU A 806 1.773 7.987 1.389 1.00 0.00 C ATOM 772 C LEU A 806 0.634 8.946 1.063 1.00 0.00 C ATOM 773 O LEU A 806 -0.432 8.871 1.667 1.00 0.00 O ATOM 774 CB LEU A 806 2.795 8.689 2.285 1.00 0.00 C ATOM 775 CG LEU A 806 3.053 8.011 3.634 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.817 8.940 4.562 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.743 7.580 4.277 1.00 0.00 C ATOM 0 H LEU A 806 3.413 7.654 0.124 1.00 0.00 H new ATOM 0 HA LEU A 806 1.363 7.128 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.739 8.760 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.455 9.708 2.468 1.00 0.00 H new ATOM 0 HG LEU A 806 3.660 7.123 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.991 8.440 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.774 9.200 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.236 9.847 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.948 7.101 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.111 8.454 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.230 6.876 3.621 1.00 0.00 H new ATOM 789 N THR A 807 0.860 9.839 0.107 1.00 0.00 N ATOM 790 CA THR A 807 -0.179 10.764 -0.323 1.00 0.00 C ATOM 791 C THR A 807 -1.363 9.996 -0.905 1.00 0.00 C ATOM 792 O THR A 807 -2.514 10.351 -0.675 1.00 0.00 O ATOM 793 CB THR A 807 0.358 11.776 -1.356 1.00 0.00 C ATOM 794 OG1 THR A 807 1.517 12.438 -0.827 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.698 12.812 -1.716 1.00 0.00 C ATOM 0 H THR A 807 1.749 9.941 -0.382 1.00 0.00 H new ATOM 0 HA THR A 807 -0.510 11.323 0.552 1.00 0.00 H new ATOM 0 HB THR A 807 0.623 11.228 -2.260 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.287 11.833 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.289 13.510 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.568 12.312 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.994 13.356 -0.819 1.00 0.00 H new ATOM 803 N VAL A 808 -1.068 8.926 -1.633 1.00 0.00 N ATOM 804 CA VAL A 808 -2.101 8.062 -2.188 1.00 0.00 C ATOM 805 C VAL A 808 -2.928 7.427 -1.065 1.00 0.00 C ATOM 806 O VAL A 808 -4.159 7.482 -1.082 1.00 0.00 O ATOM 807 CB VAL A 808 -1.477 6.959 -3.082 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.331 5.700 -3.106 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.260 7.478 -4.494 1.00 0.00 C ATOM 0 H VAL A 808 -0.116 8.635 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.758 8.674 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.512 6.694 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.859 4.952 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.427 5.306 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.320 5.938 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.822 6.691 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.216 7.781 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.587 8.335 -4.467 1.00 0.00 H new ATOM 819 N THR A 809 -2.247 6.847 -0.080 1.00 0.00 N ATOM 820 CA THR A 809 -2.925 6.210 1.043 1.00 0.00 C ATOM 821 C THR A 809 -3.705 7.241 1.852 1.00 0.00 C ATOM 822 O THR A 809 -4.854 7.011 2.237 1.00 0.00 O ATOM 823 CB THR A 809 -1.923 5.487 1.963 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.662 5.342 1.300 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.448 4.118 2.357 1.00 0.00 C ATOM 0 H THR A 809 -1.229 6.806 -0.038 1.00 0.00 H new ATOM 0 HA THR A 809 -3.616 5.473 0.634 1.00 0.00 H new ATOM 0 HB THR A 809 -1.793 6.087 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.031 4.883 1.893 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.725 3.624 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.394 4.230 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.602 3.516 1.462 1.00 0.00 H new ATOM 833 N GLU A 810 -3.073 8.384 2.083 1.00 0.00 N ATOM 834 CA GLU A 810 -3.700 9.493 2.786 1.00 0.00 C ATOM 835 C GLU A 810 -4.926 9.984 2.011 1.00 0.00 C ATOM 836 O GLU A 810 -5.949 10.339 2.603 1.00 0.00 O ATOM 837 CB GLU A 810 -2.674 10.617 2.983 1.00 0.00 C ATOM 838 CG GLU A 810 -3.274 12.004 3.132 1.00 0.00 C ATOM 839 CD GLU A 810 -2.338 13.088 2.644 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.167 13.109 3.078 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.766 13.927 1.822 1.00 0.00 O ATOM 0 H GLU A 810 -2.114 8.567 1.789 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.041 9.161 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -2.079 10.396 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.991 10.620 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.209 12.055 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.518 12.182 4.179 1.00 0.00 H new ATOM 848 N ASN A 811 -4.823 9.980 0.687 1.00 0.00 N ATOM 849 CA ASN A 811 -5.943 10.343 -0.175 1.00 0.00 C ATOM 850 C ASN A 811 -7.103 9.386 0.041 1.00 0.00 C ATOM 851 O ASN A 811 -8.236 9.813 0.233 1.00 0.00 O ATOM 852 CB ASN A 811 -5.530 10.309 -1.651 1.00 0.00 C ATOM 853 CG ASN A 811 -4.905 11.605 -2.128 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.156 12.676 -1.571 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.089 11.515 -3.168 1.00 0.00 N ATOM 0 H ASN A 811 -3.972 9.728 0.185 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.251 11.356 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.822 9.494 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.406 10.090 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.640 12.353 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.909 10.608 -3.598 1.00 0.00 H new ATOM 862 N ILE A 812 -6.808 8.089 0.022 1.00 0.00 N ATOM 863 CA ILE A 812 -7.825 7.063 0.231 1.00 0.00 C ATOM 864 C ILE A 812 -8.454 7.199 1.617 1.00 0.00 C ATOM 865 O ILE A 812 -9.667 7.065 1.770 1.00 0.00 O ATOM 866 CB ILE A 812 -7.236 5.642 0.053 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.970 5.365 -1.427 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.173 4.584 0.626 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.632 4.712 -1.690 1.00 0.00 C ATOM 0 H ILE A 812 -5.869 7.723 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.598 7.209 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.295 5.593 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.761 4.723 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.021 6.304 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.734 3.596 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.323 4.768 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.133 4.630 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.512 4.546 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.833 5.362 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.584 3.757 -1.167 1.00 0.00 H new ATOM 881 N PHE A 813 -7.624 7.480 2.615 1.00 0.00 N ATOM 882 CA PHE A 813 -8.102 7.688 3.979 1.00 0.00 C ATOM 883 C PHE A 813 -9.089 8.851 4.033 1.00 0.00 C ATOM 884 O PHE A 813 -10.136 8.765 4.673 1.00 0.00 O ATOM 885 CB PHE A 813 -6.926 7.970 4.917 1.00 0.00 C ATOM 886 CG PHE A 813 -6.377 6.745 5.590 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.222 5.849 6.225 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.015 6.493 5.591 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.719 4.722 6.845 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.506 5.368 6.210 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.359 4.483 6.838 1.00 0.00 C ATOM 0 H PHE A 813 -6.614 7.569 2.506 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.610 6.779 4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.128 8.449 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.245 8.680 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.286 6.034 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.344 7.184 5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.388 4.029 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.442 5.181 6.203 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.963 3.604 7.324 1.00 0.00 H new ATOM 901 N SER A 814 -8.745 9.930 3.345 1.00 0.00 N ATOM 902 CA SER A 814 -9.565 11.132 3.323 1.00 0.00 C ATOM 903 C SER A 814 -10.806 10.949 2.442 1.00 0.00 C ATOM 904 O SER A 814 -11.887 11.437 2.767 1.00 0.00 O ATOM 905 CB SER A 814 -8.722 12.305 2.819 1.00 0.00 C ATOM 906 OG SER A 814 -7.475 12.359 3.500 1.00 0.00 O ATOM 0 H SER A 814 -7.893 9.997 2.788 1.00 0.00 H new ATOM 0 HA SER A 814 -9.912 11.336 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.552 12.203 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.264 13.239 2.968 1.00 0.00 H new ATOM 0 HG SER A 814 -6.827 11.783 3.043 1.00 0.00 H new ATOM 912 N SER A 815 -10.644 10.219 1.346 1.00 0.00 N ATOM 913 CA SER A 815 -11.720 10.022 0.380 1.00 0.00 C ATOM 914 C SER A 815 -12.447 8.700 0.623 1.00 0.00 C ATOM 915 O SER A 815 -13.089 8.158 -0.280 1.00 0.00 O ATOM 916 CB SER A 815 -11.148 10.046 -1.040 1.00 0.00 C ATOM 917 OG SER A 815 -10.174 11.069 -1.177 1.00 0.00 O ATOM 0 H SER A 815 -9.772 9.750 1.102 1.00 0.00 H new ATOM 0 HA SER A 815 -12.440 10.832 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.701 9.079 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.953 10.206 -1.758 1.00 0.00 H new ATOM 0 HG SER A 815 -9.308 10.741 -0.855 1.00 0.00 H new ATOM 923 N MET A 816 -12.340 8.186 1.843 1.00 0.00 N ATOM 924 CA MET A 816 -12.978 6.926 2.200 1.00 0.00 C ATOM 925 C MET A 816 -14.492 7.063 2.141 1.00 0.00 C ATOM 926 O MET A 816 -15.108 7.664 3.023 1.00 0.00 O ATOM 927 CB MET A 816 -12.544 6.476 3.596 1.00 0.00 C ATOM 928 CG MET A 816 -12.428 4.968 3.735 1.00 0.00 C ATOM 929 SD MET A 816 -12.091 4.450 5.429 1.00 0.00 S ATOM 930 CE MET A 816 -10.346 4.061 5.315 1.00 0.00 C ATOM 0 H MET A 816 -11.817 8.623 2.602 1.00 0.00 H new ATOM 0 HA MET A 816 -12.665 6.170 1.480 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.582 6.930 3.833 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.261 6.847 4.328 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.353 4.503 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.632 4.607 3.084 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.924 3.983 6.317 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.218 3.113 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.832 4.850 4.766 1.00 0.00 H new ATOM 940 N GLY A 817 -15.080 6.513 1.092 1.00 0.00 N ATOM 941 CA GLY A 817 -16.508 6.630 0.889 1.00 0.00 C ATOM 942 C GLY A 817 -16.845 7.062 -0.522 1.00 0.00 C ATOM 943 O GLY A 817 -17.932 6.772 -1.025 1.00 0.00 O ATOM 0 H GLY A 817 -14.590 5.983 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.984 5.672 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.917 7.351 1.597 1.00 0.00 H new ATOM 947 N ASP A 818 -15.907 7.749 -1.169 1.00 0.00 N ATOM 948 CA ASP A 818 -16.109 8.205 -2.544 1.00 0.00 C ATOM 949 C ASP A 818 -16.004 7.037 -3.509 1.00 0.00 C ATOM 950 O ASP A 818 -16.623 7.031 -4.576 1.00 0.00 O ATOM 951 CB ASP A 818 -15.093 9.291 -2.918 1.00 0.00 C ATOM 952 CG ASP A 818 -15.185 9.698 -4.378 1.00 0.00 C ATOM 953 OD1 ASP A 818 -14.544 9.043 -5.224 1.00 0.00 O ATOM 954 OD2 ASP A 818 -15.913 10.665 -4.689 1.00 0.00 O ATOM 0 H ASP A 818 -15.004 8.002 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.109 8.633 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.255 10.167 -2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.086 8.930 -2.708 1.00 0.00 H new ATOM 959 N ALA A 819 -15.218 6.059 -3.091 1.00 0.00 N ATOM 960 CA ALA A 819 -14.984 4.820 -3.838 1.00 0.00 C ATOM 961 C ALA A 819 -14.139 5.046 -5.093 1.00 0.00 C ATOM 962 O ALA A 819 -13.050 4.488 -5.213 1.00 0.00 O ATOM 963 CB ALA A 819 -16.297 4.136 -4.187 1.00 0.00 C ATOM 0 H ALA A 819 -14.712 6.098 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.414 4.161 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.094 3.219 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.836 3.894 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.903 4.803 -4.800 1.00 0.00 H new ATOM 969 N GLY A 820 -14.634 5.867 -6.013 1.00 0.00 N ATOM 970 CA GLY A 820 -13.936 6.104 -7.268 1.00 0.00 C ATOM 971 C GLY A 820 -12.543 6.668 -7.066 1.00 0.00 C ATOM 972 O GLY A 820 -11.566 6.122 -7.581 1.00 0.00 O ATOM 0 H GLY A 820 -15.512 6.377 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.868 5.168 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.518 6.795 -7.878 1.00 0.00 H new ATOM 976 N GLU A 821 -12.451 7.754 -6.305 1.00 0.00 N ATOM 977 CA GLU A 821 -11.167 8.370 -5.991 1.00 0.00 C ATOM 978 C GLU A 821 -10.276 7.376 -5.251 1.00 0.00 C ATOM 979 O GLU A 821 -9.060 7.351 -5.439 1.00 0.00 O ATOM 980 CB GLU A 821 -11.380 9.631 -5.145 1.00 0.00 C ATOM 981 CG GLU A 821 -10.110 10.423 -4.875 1.00 0.00 C ATOM 982 CD GLU A 821 -9.526 11.045 -6.127 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.251 11.777 -6.835 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.334 10.809 -6.409 1.00 0.00 O ATOM 0 H GLU A 821 -13.255 8.227 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.674 8.654 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.097 10.277 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.826 9.345 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.325 11.209 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.368 9.766 -4.421 1.00 0.00 H new ATOM 991 N MET A 822 -10.903 6.540 -4.430 1.00 0.00 N ATOM 992 CA MET A 822 -10.185 5.520 -3.676 1.00 0.00 C ATOM 993 C MET A 822 -9.506 4.538 -4.625 1.00 0.00 C ATOM 994 O MET A 822 -8.310 4.275 -4.513 1.00 0.00 O ATOM 995 CB MET A 822 -11.141 4.753 -2.762 1.00 0.00 C ATOM 996 CG MET A 822 -11.451 5.454 -1.453 1.00 0.00 C ATOM 997 SD MET A 822 -12.905 4.764 -0.635 1.00 0.00 S ATOM 998 CE MET A 822 -12.584 3.006 -0.800 1.00 0.00 C ATOM 0 H MET A 822 -11.910 6.550 -4.270 1.00 0.00 H new ATOM 0 HA MET A 822 -9.431 6.020 -3.068 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.075 4.578 -3.297 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.711 3.776 -2.544 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.591 5.375 -0.788 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.612 6.516 -1.641 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.237 2.452 -0.126 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.776 2.696 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.544 2.801 -0.547 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.287 4.007 -5.564 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.784 3.048 -6.542 1.00 0.00 C ATOM 1010 C VAL A 823 -8.708 3.685 -7.414 1.00 0.00 C ATOM 1011 O VAL A 823 -7.690 3.060 -7.712 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.920 2.506 -7.440 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.380 1.532 -8.478 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.994 1.837 -6.598 1.00 0.00 C ATOM 0 H VAL A 823 -11.277 4.228 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.354 2.214 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.364 3.352 -7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.200 1.167 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.650 2.040 -9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.903 0.691 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.785 1.462 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.557 1.007 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.412 2.561 -5.899 1.00 0.00 H new ATOM 1024 N ARG A 824 -8.936 4.935 -7.807 1.00 0.00 N ATOM 1025 CA ARG A 824 -7.967 5.679 -8.603 1.00 0.00 C ATOM 1026 C ARG A 824 -6.609 5.706 -7.911 1.00 0.00 C ATOM 1027 O ARG A 824 -5.596 5.322 -8.497 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.452 7.109 -8.845 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.613 7.863 -9.863 1.00 0.00 C ATOM 1030 CD ARG A 824 -6.931 9.071 -9.243 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.886 10.125 -8.918 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.343 11.019 -9.793 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -7.871 11.045 -11.035 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.262 11.896 -9.411 1.00 0.00 N ATOM 0 H ARG A 824 -9.786 5.454 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.863 5.174 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.487 7.082 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.442 7.654 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.860 7.195 -10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.246 8.186 -10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -6.404 8.767 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.182 9.459 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.226 10.181 -7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.155 10.378 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.225 11.732 -11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.613 11.882 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -9.617 12.584 -10.075 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.597 6.148 -6.660 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.368 6.209 -5.888 1.00 0.00 C ATOM 1050 C GLN A 825 -4.791 4.813 -5.673 1.00 0.00 C ATOM 1051 O GLN A 825 -3.581 4.618 -5.749 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.623 6.896 -4.552 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.226 8.280 -4.701 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.215 9.307 -5.169 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.024 9.200 -4.881 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.684 10.316 -5.883 1.00 0.00 N ATOM 0 H GLN A 825 -7.426 6.469 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.637 6.792 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.292 6.277 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.684 6.972 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.052 8.238 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.643 8.596 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.679 10.368 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.051 11.043 -6.217 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.666 3.842 -5.430 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.243 2.457 -5.240 1.00 0.00 C ATOM 1067 C ALA A 826 -4.519 1.930 -6.479 1.00 0.00 C ATOM 1068 O ALA A 826 -3.583 1.136 -6.375 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.441 1.578 -4.906 1.00 0.00 C ATOM 0 H ALA A 826 -6.673 3.988 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.544 2.426 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.110 0.549 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.910 1.935 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.162 1.620 -5.722 1.00 0.00 H new ATOM 1075 N ARG A 827 -4.951 2.387 -7.649 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.310 2.011 -8.904 1.00 0.00 C ATOM 1077 C ARG A 827 -2.898 2.583 -8.971 1.00 0.00 C ATOM 1078 O ARG A 827 -1.962 1.911 -9.411 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.129 2.511 -10.093 1.00 0.00 C ATOM 1080 CG ARG A 827 -5.935 1.423 -10.780 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.415 1.585 -10.523 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.036 2.538 -11.441 1.00 0.00 N ATOM 1083 CZ ARG A 827 -9.050 2.238 -12.250 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -9.535 1.006 -12.290 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.575 3.175 -13.028 1.00 0.00 N ATOM 0 H ARG A 827 -5.744 3.020 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.254 0.923 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.807 3.293 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.457 2.967 -10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.746 1.451 -11.853 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -5.608 0.446 -10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.907 0.617 -10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.569 1.919 -9.497 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.671 3.490 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -9.131 0.280 -11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.312 0.784 -12.912 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -9.202 4.124 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.352 2.947 -13.648 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.752 3.825 -8.527 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.449 4.480 -8.492 1.00 0.00 C ATOM 1101 C ILE A 828 -0.564 3.834 -7.429 1.00 0.00 C ATOM 1102 O ILE A 828 0.646 3.707 -7.607 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.581 5.993 -8.208 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.574 6.633 -9.182 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.225 6.679 -8.312 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.407 7.734 -8.563 1.00 0.00 C ATOM 0 H ILE A 828 -3.521 4.401 -8.185 1.00 0.00 H new ATOM 0 HA ILE A 828 -0.992 4.357 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 828 -1.955 6.120 -7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.026 7.038 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.238 5.861 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.339 7.744 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.460 6.242 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.176 6.542 -9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.087 8.140 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -3.983 7.330 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.752 8.526 -8.200 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.187 3.418 -6.332 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.494 2.698 -5.269 1.00 0.00 C ATOM 1120 C LEU A 829 0.165 1.441 -5.827 1.00 0.00 C ATOM 1121 O LEU A 829 1.346 1.191 -5.591 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.484 2.331 -4.155 1.00 0.00 C ATOM 1123 CG LEU A 829 -0.869 1.779 -2.864 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.371 2.567 -2.470 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -1.892 1.811 -1.742 1.00 0.00 C ATOM 0 H LEU A 829 -2.180 3.569 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 829 0.282 3.341 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.066 3.219 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.183 1.591 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.571 0.746 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.787 2.155 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 829 1.113 2.501 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.103 3.611 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.444 1.417 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.215 2.838 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.753 1.201 -2.017 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.603 0.670 -6.591 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.093 -0.543 -7.218 1.00 0.00 C ATOM 1139 C ALA A 830 1.086 -0.229 -8.134 1.00 0.00 C ATOM 1140 O ALA A 830 2.047 -0.993 -8.210 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.199 -1.241 -7.996 1.00 0.00 C ATOM 0 H ALA A 830 -1.584 0.865 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 830 0.258 -1.211 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.803 -2.145 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.010 -1.506 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.577 -0.573 -8.770 1.00 0.00 H new ATOM 1147 N GLN A 831 1.008 0.908 -8.810 1.00 0.00 N ATOM 1148 CA GLN A 831 2.068 1.346 -9.708 1.00 0.00 C ATOM 1149 C GLN A 831 3.321 1.732 -8.924 1.00 0.00 C ATOM 1150 O GLN A 831 4.410 1.210 -9.172 1.00 0.00 O ATOM 1151 CB GLN A 831 1.591 2.543 -10.530 1.00 0.00 C ATOM 1152 CG GLN A 831 1.721 2.358 -12.030 1.00 0.00 C ATOM 1153 CD GLN A 831 1.066 3.485 -12.801 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.719 4.457 -13.181 1.00 0.00 O ATOM 1155 NE2 GLN A 831 -0.230 3.369 -13.032 1.00 0.00 N ATOM 0 H GLN A 831 0.216 1.548 -8.753 1.00 0.00 H new ATOM 0 HA GLN A 831 2.315 0.519 -10.374 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.547 2.742 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 831 2.160 3.424 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 831 2.776 2.301 -12.298 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.267 1.410 -12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.736 2.548 -12.700 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.725 4.101 -13.542 1.00 0.00 H new ATOM 1164 N ALA A 832 3.146 2.632 -7.965 1.00 0.00 N ATOM 1165 CA ALA A 832 4.259 3.192 -7.211 1.00 0.00 C ATOM 1166 C ALA A 832 4.991 2.131 -6.396 1.00 0.00 C ATOM 1167 O ALA A 832 6.220 2.080 -6.404 1.00 0.00 O ATOM 1168 CB ALA A 832 3.767 4.312 -6.308 1.00 0.00 C ATOM 0 H ALA A 832 2.233 2.993 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 832 4.973 3.596 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.607 4.724 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.315 5.097 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 832 3.025 3.919 -5.612 1.00 0.00 H new ATOM 1174 N THR A 833 4.242 1.281 -5.701 1.00 0.00 N ATOM 1175 CA THR A 833 4.845 0.245 -4.872 1.00 0.00 C ATOM 1176 C THR A 833 5.673 -0.732 -5.706 1.00 0.00 C ATOM 1177 O THR A 833 6.738 -1.176 -5.275 1.00 0.00 O ATOM 1178 CB THR A 833 3.780 -0.527 -4.074 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.969 0.393 -3.334 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.430 -1.515 -3.118 1.00 0.00 C ATOM 0 H THR A 833 3.222 1.289 -5.695 1.00 0.00 H new ATOM 0 HA THR A 833 5.509 0.751 -4.171 1.00 0.00 H new ATOM 0 HB THR A 833 3.159 -1.082 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.313 0.806 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.657 -2.049 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.029 -2.228 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.070 -0.977 -2.419 1.00 0.00 H new ATOM 1188 N SER A 834 5.201 -1.051 -6.907 1.00 0.00 N ATOM 1189 CA SER A 834 5.932 -1.953 -7.789 1.00 0.00 C ATOM 1190 C SER A 834 7.284 -1.352 -8.171 1.00 0.00 C ATOM 1191 O SER A 834 8.285 -2.061 -8.280 1.00 0.00 O ATOM 1192 CB SER A 834 5.110 -2.258 -9.042 1.00 0.00 C ATOM 1193 OG SER A 834 3.848 -2.805 -8.698 1.00 0.00 O ATOM 0 H SER A 834 4.322 -0.701 -7.289 1.00 0.00 H new ATOM 0 HA SER A 834 6.109 -2.887 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.970 -1.345 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.653 -2.958 -9.677 1.00 0.00 H new ATOM 0 HG SER A 834 3.226 -2.080 -8.478 1.00 0.00 H new ATOM 1199 N ASP A 835 7.304 -0.039 -8.359 1.00 0.00 N ATOM 1200 CA ASP A 835 8.538 0.672 -8.675 1.00 0.00 C ATOM 1201 C ASP A 835 9.423 0.760 -7.438 1.00 0.00 C ATOM 1202 O ASP A 835 10.641 0.591 -7.514 1.00 0.00 O ATOM 1203 CB ASP A 835 8.225 2.076 -9.195 1.00 0.00 C ATOM 1204 CG ASP A 835 8.865 2.356 -10.539 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.104 2.509 -10.594 1.00 0.00 O ATOM 1206 OD2 ASP A 835 8.128 2.438 -11.546 1.00 0.00 O ATOM 0 H ASP A 835 6.479 0.557 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 835 9.068 0.121 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.145 2.196 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.572 2.813 -8.471 1.00 0.00 H new ATOM 1211 N LEU A 836 8.791 1.013 -6.296 1.00 0.00 N ATOM 1212 CA LEU A 836 9.485 1.100 -5.016 1.00 0.00 C ATOM 1213 C LEU A 836 10.184 -0.217 -4.688 1.00 0.00 C ATOM 1214 O LEU A 836 11.383 -0.242 -4.413 1.00 0.00 O ATOM 1215 CB LEU A 836 8.483 1.468 -3.912 1.00 0.00 C ATOM 1216 CG LEU A 836 8.957 1.261 -2.468 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.092 2.218 -2.136 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.800 1.455 -1.503 1.00 0.00 C ATOM 0 H LEU A 836 7.784 1.163 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 836 10.247 1.876 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.208 2.515 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.577 0.881 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 836 9.328 0.241 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.415 2.056 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.928 2.039 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.747 3.246 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.149 1.305 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.405 2.466 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.014 0.733 -1.727 1.00 0.00 H new ATOM 1230 N VAL A 837 9.430 -1.311 -4.752 1.00 0.00 N ATOM 1231 CA VAL A 837 9.962 -2.633 -4.434 1.00 0.00 C ATOM 1232 C VAL A 837 11.083 -3.014 -5.401 1.00 0.00 C ATOM 1233 O VAL A 837 12.049 -3.677 -5.021 1.00 0.00 O ATOM 1234 CB VAL A 837 8.843 -3.704 -4.454 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.417 -5.113 -4.381 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.869 -3.469 -3.307 1.00 0.00 C ATOM 0 H VAL A 837 8.446 -1.308 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 837 10.375 -2.592 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 837 8.309 -3.612 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.604 -5.838 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 837 10.072 -5.284 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.986 -5.227 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 837 7.087 -4.228 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.403 -3.529 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.419 -2.481 -3.408 1.00 0.00 H new ATOM 1246 N ASN A 838 10.957 -2.563 -6.645 1.00 0.00 N ATOM 1247 CA ASN A 838 11.980 -2.800 -7.662 1.00 0.00 C ATOM 1248 C ASN A 838 13.321 -2.216 -7.223 1.00 0.00 C ATOM 1249 O ASN A 838 14.360 -2.874 -7.317 1.00 0.00 O ATOM 1250 CB ASN A 838 11.545 -2.186 -9.001 1.00 0.00 C ATOM 1251 CG ASN A 838 12.715 -1.829 -9.901 1.00 0.00 C ATOM 1252 OD1 ASN A 838 13.275 -0.733 -9.816 1.00 0.00 O ATOM 1253 ND2 ASN A 838 13.083 -2.747 -10.780 1.00 0.00 N ATOM 0 H ASN A 838 10.153 -2.029 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 838 12.100 -3.876 -7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.895 -2.889 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.956 -1.289 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.856 -2.560 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.594 -3.641 -10.818 1.00 0.00 H new ATOM 1260 N ALA A 839 13.285 -0.981 -6.728 1.00 0.00 N ATOM 1261 CA ALA A 839 14.493 -0.295 -6.288 1.00 0.00 C ATOM 1262 C ALA A 839 15.144 -1.034 -5.128 1.00 0.00 C ATOM 1263 O ALA A 839 16.367 -1.189 -5.083 1.00 0.00 O ATOM 1264 CB ALA A 839 14.171 1.138 -5.894 1.00 0.00 C ATOM 0 H ALA A 839 12.430 -0.436 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 839 15.200 -0.279 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 839 15.082 1.639 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.754 1.666 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.446 1.137 -5.080 1.00 0.00 H new ATOM 1270 N ILE A 840 14.316 -1.504 -4.200 1.00 0.00 N ATOM 1271 CA ILE A 840 14.798 -2.257 -3.051 1.00 0.00 C ATOM 1272 C ILE A 840 15.400 -3.586 -3.492 1.00 0.00 C ATOM 1273 O ILE A 840 16.473 -3.972 -3.033 1.00 0.00 O ATOM 1274 CB ILE A 840 13.668 -2.527 -2.038 1.00 0.00 C ATOM 1275 CG1 ILE A 840 12.965 -1.223 -1.663 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.213 -3.212 -0.793 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.466 -1.366 -1.533 1.00 0.00 C ATOM 0 H ILE A 840 13.304 -1.375 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 840 15.564 -1.650 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 840 12.942 -3.192 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.371 -0.858 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.187 -0.469 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.399 -3.393 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.671 -4.161 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 840 14.961 -2.573 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.031 -0.403 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.049 -1.701 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.236 -2.097 -0.757 1.00 0.00 H new ATOM 1289 N LYS A 841 14.708 -4.268 -4.399 1.00 0.00 N ATOM 1290 CA LYS A 841 15.160 -5.561 -4.903 1.00 0.00 C ATOM 1291 C LYS A 841 16.528 -5.442 -5.565 1.00 0.00 C ATOM 1292 O LYS A 841 17.362 -6.342 -5.460 1.00 0.00 O ATOM 1293 CB LYS A 841 14.147 -6.123 -5.904 1.00 0.00 C ATOM 1294 CG LYS A 841 13.289 -7.243 -5.339 1.00 0.00 C ATOM 1295 CD LYS A 841 11.981 -7.380 -6.100 1.00 0.00 C ATOM 1296 CE LYS A 841 11.842 -8.759 -6.725 1.00 0.00 C ATOM 1297 NZ LYS A 841 12.277 -8.775 -8.147 1.00 0.00 N ATOM 0 H LYS A 841 13.828 -3.945 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 841 15.244 -6.242 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.498 -5.316 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.681 -6.492 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.839 -8.183 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.081 -7.048 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 841 11.145 -7.200 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 841 11.931 -6.619 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 841 12.435 -9.476 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 841 10.803 -9.083 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 12.165 -9.734 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 11.695 -8.111 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 13.276 -8.491 -8.208 1.00 0.00 H new ATOM 1508 N LEU A 856 15.355 -6.162 3.949 1.00 0.00 N ATOM 1509 CA LEU A 856 14.987 -5.189 2.940 1.00 0.00 C ATOM 1510 C LEU A 856 13.869 -5.708 2.055 1.00 0.00 C ATOM 1511 O LEU A 856 12.851 -5.048 1.851 1.00 0.00 O ATOM 1512 CB LEU A 856 16.216 -4.917 2.080 1.00 0.00 C ATOM 1513 CG LEU A 856 17.066 -3.731 2.533 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.479 -3.848 1.983 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.435 -2.414 2.110 1.00 0.00 C ATOM 0 HA LEU A 856 14.636 -4.281 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.840 -5.811 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.893 -4.743 1.054 1.00 0.00 H new ATOM 0 HG LEU A 856 17.115 -3.746 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.071 -2.995 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.935 -4.769 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.445 -3.864 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.060 -1.587 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.346 -2.385 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.445 -2.325 2.557 1.00 0.00 H new ATOM 1527 N LEU A 857 14.066 -6.909 1.559 1.00 0.00 N ATOM 1528 CA LEU A 857 13.146 -7.512 0.623 1.00 0.00 C ATOM 1529 C LEU A 857 11.881 -8.009 1.309 1.00 0.00 C ATOM 1530 O LEU A 857 10.804 -8.007 0.713 1.00 0.00 O ATOM 1531 CB LEU A 857 13.863 -8.617 -0.132 1.00 0.00 C ATOM 1532 CG LEU A 857 15.191 -8.169 -0.745 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.222 -9.283 -0.659 1.00 0.00 C ATOM 1534 CD2 LEU A 857 14.988 -7.743 -2.188 1.00 0.00 C ATOM 0 H LEU A 857 14.868 -7.494 1.793 1.00 0.00 H new ATOM 0 HA LEU A 857 12.816 -6.757 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.047 -9.450 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.212 -8.988 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 857 15.562 -7.314 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.160 -8.946 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.386 -9.547 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.860 -10.157 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.941 -7.427 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.596 -8.582 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.281 -6.914 -2.227 1.00 0.00 H new ATOM 1546 N SER A 858 12.007 -8.441 2.557 1.00 0.00 N ATOM 1547 CA SER A 858 10.848 -8.860 3.332 1.00 0.00 C ATOM 1548 C SER A 858 9.937 -7.665 3.597 1.00 0.00 C ATOM 1549 O SER A 858 8.715 -7.772 3.502 1.00 0.00 O ATOM 1550 CB SER A 858 11.284 -9.508 4.647 1.00 0.00 C ATOM 1551 OG SER A 858 11.890 -10.770 4.411 1.00 0.00 O ATOM 0 H SER A 858 12.896 -8.510 3.052 1.00 0.00 H new ATOM 0 HA SER A 858 10.293 -9.602 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.986 -8.854 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.421 -9.631 5.301 1.00 0.00 H new ATOM 0 HG SER A 858 12.163 -11.167 5.265 1.00 0.00 H new ATOM 1557 N ALA A 859 10.543 -6.521 3.903 1.00 0.00 N ATOM 1558 CA ALA A 859 9.791 -5.288 4.082 1.00 0.00 C ATOM 1559 C ALA A 859 9.115 -4.892 2.773 1.00 0.00 C ATOM 1560 O ALA A 859 7.955 -4.478 2.759 1.00 0.00 O ATOM 1561 CB ALA A 859 10.703 -4.173 4.573 1.00 0.00 C ATOM 0 H ALA A 859 11.550 -6.425 4.031 1.00 0.00 H new ATOM 0 HA ALA A 859 9.021 -5.454 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.123 -3.259 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.146 -4.459 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.494 -4.002 3.843 1.00 0.00 H new ATOM 1567 N ALA A 860 9.845 -5.048 1.673 1.00 0.00 N ATOM 1568 CA ALA A 860 9.306 -4.778 0.345 1.00 0.00 C ATOM 1569 C ALA A 860 8.141 -5.712 0.031 1.00 0.00 C ATOM 1570 O ALA A 860 7.183 -5.328 -0.639 1.00 0.00 O ATOM 1571 CB ALA A 860 10.398 -4.918 -0.705 1.00 0.00 C ATOM 0 H ALA A 860 10.816 -5.361 1.676 1.00 0.00 H new ATOM 0 HA ALA A 860 8.933 -3.754 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.982 -4.714 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.198 -4.209 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.797 -5.932 -0.682 1.00 0.00 H new ATOM 1577 N LYS A 861 8.225 -6.942 0.526 1.00 0.00 N ATOM 1578 CA LYS A 861 7.151 -7.909 0.356 1.00 0.00 C ATOM 1579 C LYS A 861 5.897 -7.438 1.084 1.00 0.00 C ATOM 1580 O LYS A 861 4.788 -7.578 0.574 1.00 0.00 O ATOM 1581 CB LYS A 861 7.577 -9.286 0.870 1.00 0.00 C ATOM 1582 CG LYS A 861 6.755 -10.429 0.297 1.00 0.00 C ATOM 1583 CD LYS A 861 7.564 -11.713 0.215 1.00 0.00 C ATOM 1584 CE LYS A 861 8.287 -11.830 -1.116 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.971 -13.102 -1.818 1.00 0.00 N ATOM 0 H LYS A 861 9.028 -7.292 1.049 1.00 0.00 H new ATOM 0 HA LYS A 861 6.929 -7.993 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.627 -9.447 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.496 -9.300 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 861 5.874 -10.592 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.398 -10.159 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 861 8.289 -11.740 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 861 6.904 -12.570 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.012 -10.988 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.362 -11.766 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 8.486 -13.138 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.257 -13.907 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 6.948 -13.153 -2.001 1.00 0.00 H new ATOM 1599 N ILE A 862 6.078 -6.870 2.273 1.00 0.00 N ATOM 1600 CA ILE A 862 4.963 -6.303 3.025 1.00 0.00 C ATOM 1601 C ILE A 862 4.378 -5.111 2.275 1.00 0.00 C ATOM 1602 O ILE A 862 3.161 -4.933 2.227 1.00 0.00 O ATOM 1603 CB ILE A 862 5.385 -5.855 4.443 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.161 -6.965 5.154 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.163 -5.459 5.262 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.025 -6.464 6.291 1.00 0.00 C ATOM 0 H ILE A 862 6.984 -6.790 2.735 1.00 0.00 H new ATOM 0 HA ILE A 862 4.213 -7.087 3.128 1.00 0.00 H new ATOM 0 HB ILE A 862 6.037 -4.987 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.455 -7.700 5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 862 6.791 -7.479 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.478 -5.146 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.646 -4.635 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.489 -6.312 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.546 -7.304 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.754 -5.751 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.398 -5.975 7.037 1.00 0.00 H new ATOM 1618 N LEU A 863 5.260 -4.309 1.683 1.00 0.00 N ATOM 1619 CA LEU A 863 4.850 -3.176 0.860 1.00 0.00 C ATOM 1620 C LEU A 863 3.895 -3.638 -0.239 1.00 0.00 C ATOM 1621 O LEU A 863 2.811 -3.076 -0.415 1.00 0.00 O ATOM 1622 CB LEU A 863 6.078 -2.504 0.225 1.00 0.00 C ATOM 1623 CG LEU A 863 6.488 -1.150 0.817 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.265 -0.302 1.132 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.340 -1.352 2.064 1.00 0.00 C ATOM 0 H LEU A 863 6.270 -4.425 1.760 1.00 0.00 H new ATOM 0 HA LEU A 863 4.339 -2.455 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.924 -3.186 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.883 -2.368 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 863 7.083 -0.618 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.582 0.653 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.698 -0.127 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.637 -0.824 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.623 -0.382 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.769 -1.907 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.238 -1.912 1.804 1.00 0.00 H new ATOM 1637 N ALA A 864 4.300 -4.677 -0.960 1.00 0.00 N ATOM 1638 CA ALA A 864 3.500 -5.216 -2.053 1.00 0.00 C ATOM 1639 C ALA A 864 2.224 -5.874 -1.534 1.00 0.00 C ATOM 1640 O ALA A 864 1.150 -5.708 -2.116 1.00 0.00 O ATOM 1641 CB ALA A 864 4.320 -6.208 -2.864 1.00 0.00 C ATOM 0 H ALA A 864 5.182 -5.165 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 864 3.208 -4.388 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.712 -6.604 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.195 -5.706 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.642 -7.027 -2.220 1.00 0.00 H new ATOM 1647 N ASP A 865 2.348 -6.612 -0.436 1.00 0.00 N ATOM 1648 CA ASP A 865 1.207 -7.293 0.177 1.00 0.00 C ATOM 1649 C ASP A 865 0.133 -6.292 0.584 1.00 0.00 C ATOM 1650 O ASP A 865 -1.045 -6.451 0.250 1.00 0.00 O ATOM 1651 CB ASP A 865 1.660 -8.094 1.402 1.00 0.00 C ATOM 1652 CG ASP A 865 0.505 -8.507 2.295 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.122 -9.553 2.023 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.225 -7.795 3.280 1.00 0.00 O ATOM 0 H ASP A 865 3.232 -6.756 0.052 1.00 0.00 H new ATOM 0 HA ASP A 865 0.785 -7.976 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.194 -8.985 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.365 -7.497 1.980 1.00 0.00 H new ATOM 1659 N ALA A 866 0.550 -5.256 1.297 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.363 -4.224 1.760 1.00 0.00 C ATOM 1661 C ALA A 866 -1.002 -3.496 0.583 1.00 0.00 C ATOM 1662 O ALA A 866 -2.181 -3.147 0.621 1.00 0.00 O ATOM 1663 CB ALA A 866 0.370 -3.247 2.661 1.00 0.00 C ATOM 0 H ALA A 866 1.522 -5.108 1.568 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.160 -4.698 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.322 -2.478 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.775 -3.779 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.185 -2.782 2.106 1.00 0.00 H new ATOM 1669 N THR A 867 -0.221 -3.286 -0.469 1.00 0.00 N ATOM 1670 CA THR A 867 -0.718 -2.637 -1.674 1.00 0.00 C ATOM 1671 C THR A 867 -1.837 -3.457 -2.318 1.00 0.00 C ATOM 1672 O THR A 867 -2.857 -2.907 -2.736 1.00 0.00 O ATOM 1673 CB THR A 867 0.420 -2.410 -2.688 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.407 -1.545 -2.112 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.103 -1.798 -3.977 1.00 0.00 C ATOM 0 H THR A 867 0.762 -3.557 -0.511 1.00 0.00 H new ATOM 0 HA THR A 867 -1.122 -1.668 -1.382 1.00 0.00 H new ATOM 0 HB THR A 867 0.863 -3.377 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.781 -1.964 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.724 -1.650 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.838 -2.466 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.571 -0.838 -3.760 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.654 -4.774 -2.377 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.681 -5.654 -2.921 1.00 0.00 C ATOM 1685 C ALA A 868 -3.938 -5.585 -2.074 1.00 0.00 C ATOM 1686 O ALA A 868 -5.047 -5.541 -2.597 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.192 -7.087 -2.996 1.00 0.00 C ATOM 0 H ALA A 868 -0.811 -5.251 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.909 -5.315 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.980 -7.719 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.314 -7.139 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.930 -7.435 -1.997 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.753 -5.570 -0.760 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.870 -5.447 0.163 1.00 0.00 C ATOM 1695 C LYS A 869 -5.597 -4.131 -0.069 1.00 0.00 C ATOM 1696 O LYS A 869 -6.826 -4.078 -0.060 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.380 -5.526 1.608 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.719 -6.835 2.296 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.464 -7.594 2.691 1.00 0.00 C ATOM 1700 CE LYS A 869 -3.077 -7.317 4.133 1.00 0.00 C ATOM 1701 NZ LYS A 869 -2.012 -8.239 4.606 1.00 0.00 N ATOM 0 H LYS A 869 -2.840 -5.642 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.561 -6.271 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.299 -5.387 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.816 -4.704 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.320 -6.637 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -5.325 -7.451 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.626 -8.663 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.643 -7.310 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -2.733 -6.287 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -3.955 -7.418 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -2.105 -8.380 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -2.105 -9.154 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -1.080 -7.829 4.396 1.00 0.00 H new ATOM 1715 N MET A 870 -4.825 -3.075 -0.292 1.00 0.00 N ATOM 1716 CA MET A 870 -5.380 -1.756 -0.549 1.00 0.00 C ATOM 1717 C MET A 870 -6.214 -1.759 -1.822 1.00 0.00 C ATOM 1718 O MET A 870 -7.366 -1.327 -1.819 1.00 0.00 O ATOM 1719 CB MET A 870 -4.266 -0.715 -0.666 1.00 0.00 C ATOM 1720 CG MET A 870 -3.955 -0.015 0.644 1.00 0.00 C ATOM 1721 SD MET A 870 -4.361 1.741 0.612 1.00 0.00 S ATOM 1722 CE MET A 870 -6.049 1.688 0.024 1.00 0.00 C ATOM 0 H MET A 870 -3.806 -3.109 -0.300 1.00 0.00 H new ATOM 0 HA MET A 870 -6.022 -1.495 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.362 -1.201 -1.033 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.552 0.030 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.510 -0.497 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 870 -2.896 -0.134 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 870 -6.607 2.525 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.058 1.755 -1.064 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.513 0.751 0.333 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.629 -2.262 -2.904 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.310 -2.305 -4.191 1.00 0.00 C ATOM 1734 C VAL A 871 -7.541 -3.213 -4.123 1.00 0.00 C ATOM 1735 O VAL A 871 -8.587 -2.895 -4.689 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.340 -2.746 -5.327 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.616 -4.162 -5.819 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.403 -1.761 -6.484 1.00 0.00 C ATOM 0 H VAL A 871 -4.684 -2.646 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.651 -1.297 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.335 -2.748 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.911 -4.416 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.502 -4.863 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.633 -4.221 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.720 -2.081 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.419 -1.726 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.115 -0.770 -6.134 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.420 -4.319 -3.394 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.510 -5.272 -3.246 1.00 0.00 C ATOM 1750 C GLU A 872 -9.673 -4.649 -2.475 1.00 0.00 C ATOM 1751 O GLU A 872 -10.825 -4.705 -2.916 1.00 0.00 O ATOM 1752 CB GLU A 872 -8.009 -6.530 -2.528 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.900 -7.750 -2.713 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.357 -7.944 -4.146 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.495 -8.078 -5.042 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.584 -7.974 -4.381 1.00 0.00 O ATOM 0 H GLU A 872 -6.569 -4.576 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.868 -5.547 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -7.008 -6.767 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.921 -6.316 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.360 -8.639 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.774 -7.654 -2.069 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.360 -4.040 -1.337 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.376 -3.446 -0.478 1.00 0.00 C ATOM 1765 C ALA A 873 -11.028 -2.236 -1.140 1.00 0.00 C ATOM 1766 O ALA A 873 -12.250 -2.083 -1.099 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.771 -3.054 0.860 1.00 0.00 C ATOM 0 H ALA A 873 -8.407 -3.945 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 873 -11.152 -4.193 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.541 -2.611 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.365 -3.939 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.972 -2.330 0.700 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.212 -1.386 -1.755 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.712 -0.180 -2.406 1.00 0.00 C ATOM 1775 C ALA A 874 -11.649 -0.527 -3.555 1.00 0.00 C ATOM 1776 O ALA A 874 -12.731 0.049 -3.680 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.559 0.678 -2.905 1.00 0.00 C ATOM 0 H ALA A 874 -9.201 -1.510 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.275 0.390 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.953 1.572 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.930 0.967 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.967 0.110 -3.622 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.238 -1.483 -4.382 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.043 -1.901 -5.524 1.00 0.00 C ATOM 1785 C LYS A 875 -13.319 -2.594 -5.061 1.00 0.00 C ATOM 1786 O LYS A 875 -14.352 -2.518 -5.724 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.246 -2.846 -6.428 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.439 -2.137 -7.504 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.147 -2.881 -7.807 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.140 -3.437 -9.221 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.812 -4.888 -9.251 1.00 0.00 N ATOM 0 H LYS A 875 -10.354 -1.982 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.310 -1.008 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.569 -3.438 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.935 -3.543 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.035 -2.054 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.209 -1.122 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.300 -2.208 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.020 -3.696 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -10.117 -3.277 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.414 -2.889 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.818 -5.225 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.869 -5.039 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.519 -5.415 -8.700 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.244 -3.253 -3.913 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.384 -3.989 -3.403 1.00 0.00 C ATOM 1807 C GLY A 876 -15.396 -3.097 -2.714 1.00 0.00 C ATOM 1808 O GLY A 876 -16.501 -3.536 -2.394 1.00 0.00 O ATOM 0 H GLY A 876 -12.412 -3.291 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.869 -4.514 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -14.037 -4.747 -2.701 1.00 0.00 H new