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 73:sc= 1.9 USER MOD Set 1.2: A 867 THR OG1 : rot -145:sc= -0.734 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.28 K(o=-1.2,f=-3.4!) USER MOD Set 2.2: A 825 GLN : amide:sc= -1.44 K(o=-1.2,f=-3.5) USER MOD Single : A 772 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 776 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.3) USER MOD Single : A 779 ASN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 802 THR OG1 : rot -150:sc= 0.0279 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 79:sc= 0.749 USER MOD Single : A 809 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 814 SER OG : rot -69:sc= 0.585 USER MOD Single : A 815 SER OG : rot 81:sc= 1.25 USER MOD Single : A 816 MET CE :methyl 147:sc= -0.333 (180deg=-0.854) USER MOD Single : A 822 MET CE :methyl 169:sc= -0.176 (180deg=-0.639) USER MOD Single : A 831 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 834 SER OG : rot 81:sc= 1.24 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 149:sc= -2.41 (180deg=-4.49!) USER MOD Single : A 875 LYS NZ :NH3+ -138:sc= 1.12 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.220 -2.849 5.930 1.00 0.00 N ATOM 221 CA GLY A 766 -11.357 -3.363 4.886 1.00 0.00 C ATOM 222 C GLY A 766 -10.286 -2.375 4.481 1.00 0.00 C ATOM 223 O GLY A 766 -9.100 -2.597 4.733 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.886 -4.284 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.959 -3.619 4.014 1.00 0.00 H new ATOM 227 N VAL A 767 -10.706 -1.268 3.876 1.00 0.00 N ATOM 228 CA VAL A 767 -9.772 -0.275 3.351 1.00 0.00 C ATOM 229 C VAL A 767 -8.919 0.321 4.461 1.00 0.00 C ATOM 230 O VAL A 767 -7.709 0.439 4.316 1.00 0.00 O ATOM 231 CB VAL A 767 -10.493 0.872 2.612 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.575 1.504 1.579 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.777 0.378 1.965 1.00 0.00 C ATOM 0 H VAL A 767 -11.689 -1.035 3.737 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.137 -0.805 2.641 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.758 1.635 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.102 2.310 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.691 1.905 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.273 0.751 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.267 1.205 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.544 -0.409 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.443 -0.017 2.733 1.00 0.00 H new ATOM 243 N GLY A 768 -9.558 0.686 5.565 1.00 0.00 N ATOM 244 CA GLY A 768 -8.840 1.260 6.693 1.00 0.00 C ATOM 245 C GLY A 768 -7.684 0.390 7.152 1.00 0.00 C ATOM 246 O GLY A 768 -6.561 0.872 7.317 1.00 0.00 O ATOM 0 H GLY A 768 -10.565 0.595 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.462 2.244 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.532 1.407 7.523 1.00 0.00 H new ATOM 250 N ALA A 769 -7.952 -0.896 7.328 1.00 0.00 N ATOM 251 CA ALA A 769 -6.934 -1.837 7.775 1.00 0.00 C ATOM 252 C ALA A 769 -5.850 -2.016 6.716 1.00 0.00 C ATOM 253 O ALA A 769 -4.656 -1.968 7.021 1.00 0.00 O ATOM 254 CB ALA A 769 -7.565 -3.177 8.116 1.00 0.00 C ATOM 0 H ALA A 769 -8.869 -1.313 7.168 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.468 -1.429 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.792 -3.869 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.298 -3.042 8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.059 -3.582 7.233 1.00 0.00 H new ATOM 260 N ALA A 770 -6.274 -2.206 5.472 1.00 0.00 N ATOM 261 CA ALA A 770 -5.346 -2.423 4.369 1.00 0.00 C ATOM 262 C ALA A 770 -4.483 -1.190 4.120 1.00 0.00 C ATOM 263 O ALA A 770 -3.283 -1.304 3.873 1.00 0.00 O ATOM 264 CB ALA A 770 -6.107 -2.806 3.111 1.00 0.00 C ATOM 0 H ALA A 770 -7.257 -2.214 5.202 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.681 -3.243 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.403 -2.965 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.668 -3.723 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.796 -2.005 2.845 1.00 0.00 H new ATOM 270 N ALA A 771 -5.097 -0.016 4.195 1.00 0.00 N ATOM 271 CA ALA A 771 -4.386 1.238 3.996 1.00 0.00 C ATOM 272 C ALA A 771 -3.328 1.432 5.072 1.00 0.00 C ATOM 273 O ALA A 771 -2.180 1.753 4.771 1.00 0.00 O ATOM 274 CB ALA A 771 -5.361 2.407 3.989 1.00 0.00 C ATOM 0 H ALA A 771 -6.092 0.093 4.393 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.886 1.199 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.813 3.337 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.081 2.276 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.889 2.446 4.942 1.00 0.00 H new ATOM 280 N THR A 772 -3.715 1.203 6.325 1.00 0.00 N ATOM 281 CA THR A 772 -2.795 1.338 7.448 1.00 0.00 C ATOM 282 C THR A 772 -1.621 0.366 7.315 1.00 0.00 C ATOM 283 O THR A 772 -0.511 0.650 7.765 1.00 0.00 O ATOM 284 CB THR A 772 -3.515 1.101 8.793 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.695 1.912 8.864 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.605 1.432 9.968 1.00 0.00 C ATOM 0 H THR A 772 -4.660 0.923 6.586 1.00 0.00 H new ATOM 0 HA THR A 772 -2.413 2.359 7.432 1.00 0.00 H new ATOM 0 HB THR A 772 -3.786 0.047 8.849 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.455 1.417 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.138 1.256 10.902 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.718 0.799 9.931 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.306 2.479 9.913 1.00 0.00 H new ATOM 294 N ALA A 773 -1.867 -0.776 6.679 1.00 0.00 N ATOM 295 CA ALA A 773 -0.817 -1.759 6.450 1.00 0.00 C ATOM 296 C ALA A 773 0.253 -1.186 5.526 1.00 0.00 C ATOM 297 O ALA A 773 1.442 -1.446 5.703 1.00 0.00 O ATOM 298 CB ALA A 773 -1.398 -3.040 5.870 1.00 0.00 C ATOM 0 H ALA A 773 -2.782 -1.041 6.315 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.354 -2.000 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.597 -3.761 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.126 -3.457 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.888 -2.820 4.921 1.00 0.00 H new ATOM 304 N VAL A 774 -0.180 -0.388 4.558 1.00 0.00 N ATOM 305 CA VAL A 774 0.737 0.264 3.633 1.00 0.00 C ATOM 306 C VAL A 774 1.508 1.372 4.342 1.00 0.00 C ATOM 307 O VAL A 774 2.729 1.468 4.212 1.00 0.00 O ATOM 308 CB VAL A 774 -0.006 0.850 2.414 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.965 1.538 1.465 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.775 -0.241 1.691 1.00 0.00 C ATOM 0 H VAL A 774 -1.164 -0.177 4.393 1.00 0.00 H new ATOM 0 HA VAL A 774 1.434 -0.494 3.276 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.714 1.597 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.417 1.943 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.473 2.348 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.702 0.816 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.294 0.187 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.082 -1.009 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.502 -0.685 2.371 1.00 0.00 H new ATOM 320 N THR A 775 0.793 2.197 5.104 1.00 0.00 N ATOM 321 CA THR A 775 1.418 3.256 5.887 1.00 0.00 C ATOM 322 C THR A 775 2.476 2.681 6.826 1.00 0.00 C ATOM 323 O THR A 775 3.575 3.229 6.958 1.00 0.00 O ATOM 324 CB THR A 775 0.369 4.023 6.714 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.910 3.942 6.074 1.00 0.00 O ATOM 326 CG2 THR A 775 0.767 5.481 6.881 1.00 0.00 C ATOM 0 H THR A 775 -0.222 2.151 5.195 1.00 0.00 H new ATOM 0 HA THR A 775 1.892 3.944 5.188 1.00 0.00 H new ATOM 0 HB THR A 775 0.313 3.566 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.573 4.430 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.010 6.000 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.727 5.540 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.850 5.950 5.901 1.00 0.00 H new ATOM 334 N GLN A 776 2.137 1.566 7.462 1.00 0.00 N ATOM 335 CA GLN A 776 3.052 0.884 8.366 1.00 0.00 C ATOM 336 C GLN A 776 4.263 0.348 7.610 1.00 0.00 C ATOM 337 O GLN A 776 5.404 0.574 8.015 1.00 0.00 O ATOM 338 CB GLN A 776 2.334 -0.266 9.069 1.00 0.00 C ATOM 339 CG GLN A 776 1.980 0.020 10.517 1.00 0.00 C ATOM 340 CD GLN A 776 1.447 -1.207 11.227 1.00 0.00 C ATOM 341 OE1 GLN A 776 1.717 -2.337 10.818 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.677 -1.003 12.283 1.00 0.00 N ATOM 0 H GLN A 776 1.228 1.113 7.366 1.00 0.00 H new ATOM 0 HA GLN A 776 3.397 1.604 9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.421 -0.499 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.965 -1.154 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.864 0.386 11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.234 0.814 10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.476 -0.052 12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 776 0.284 -1.797 12.789 1.00 0.00 H new ATOM 351 N ALA A 777 4.008 -0.353 6.506 1.00 0.00 N ATOM 352 CA ALA A 777 5.071 -0.957 5.711 1.00 0.00 C ATOM 353 C ALA A 777 6.004 0.103 5.128 1.00 0.00 C ATOM 354 O ALA A 777 7.224 -0.066 5.131 1.00 0.00 O ATOM 355 CB ALA A 777 4.484 -1.817 4.601 1.00 0.00 C ATOM 0 H ALA A 777 3.069 -0.516 6.142 1.00 0.00 H new ATOM 0 HA ALA A 777 5.660 -1.592 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.292 -2.260 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.875 -2.609 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.864 -1.199 3.951 1.00 0.00 H new ATOM 361 N LEU A 778 5.426 1.195 4.636 1.00 0.00 N ATOM 362 CA LEU A 778 6.211 2.289 4.076 1.00 0.00 C ATOM 363 C LEU A 778 7.134 2.881 5.134 1.00 0.00 C ATOM 364 O LEU A 778 8.327 3.063 4.897 1.00 0.00 O ATOM 365 CB LEU A 778 5.296 3.381 3.515 1.00 0.00 C ATOM 366 CG LEU A 778 6.002 4.443 2.669 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.743 4.203 1.193 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.555 5.841 3.074 1.00 0.00 C ATOM 0 H LEU A 778 4.417 1.345 4.614 1.00 0.00 H new ATOM 0 HA LEU A 778 6.816 1.888 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.522 2.910 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.793 3.875 4.346 1.00 0.00 H new ATOM 0 HG LEU A 778 7.075 4.366 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.252 4.967 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.119 3.219 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.671 4.250 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.070 6.580 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.479 5.935 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.796 6.010 4.123 1.00 0.00 H new ATOM 380 N ASN A 779 6.577 3.161 6.307 1.00 0.00 N ATOM 381 CA ASN A 779 7.345 3.741 7.404 1.00 0.00 C ATOM 382 C ASN A 779 8.386 2.752 7.912 1.00 0.00 C ATOM 383 O ASN A 779 9.482 3.143 8.319 1.00 0.00 O ATOM 384 CB ASN A 779 6.416 4.159 8.544 1.00 0.00 C ATOM 385 CG ASN A 779 5.896 5.574 8.372 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.649 6.543 8.477 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.605 5.701 8.101 1.00 0.00 N ATOM 0 H ASN A 779 5.594 2.995 6.524 1.00 0.00 H new ATOM 0 HA ASN A 779 7.860 4.626 7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.574 3.468 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.950 4.083 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.200 6.628 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.016 4.872 8.023 1.00 0.00 H new ATOM 394 N GLU A 780 8.032 1.472 7.880 1.00 0.00 N ATOM 395 CA GLU A 780 8.946 0.399 8.253 1.00 0.00 C ATOM 396 C GLU A 780 10.166 0.405 7.339 1.00 0.00 C ATOM 397 O GLU A 780 11.307 0.474 7.802 1.00 0.00 O ATOM 398 CB GLU A 780 8.222 -0.954 8.153 1.00 0.00 C ATOM 399 CG GLU A 780 9.149 -2.162 8.122 1.00 0.00 C ATOM 400 CD GLU A 780 9.829 -2.421 9.449 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.309 -1.970 10.489 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.894 -3.074 9.455 1.00 0.00 O ATOM 0 H GLU A 780 7.107 1.150 7.596 1.00 0.00 H new ATOM 0 HA GLU A 780 9.278 0.555 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.544 -1.053 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.609 -0.959 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.577 -3.044 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 780 9.908 -2.011 7.355 1.00 0.00 H new ATOM 409 N LEU A 781 9.907 0.347 6.040 1.00 0.00 N ATOM 410 CA LEU A 781 10.962 0.339 5.042 1.00 0.00 C ATOM 411 C LEU A 781 11.772 1.627 5.105 1.00 0.00 C ATOM 412 O LEU A 781 12.993 1.600 4.983 1.00 0.00 O ATOM 413 CB LEU A 781 10.363 0.167 3.648 1.00 0.00 C ATOM 414 CG LEU A 781 11.373 0.178 2.507 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.647 -1.239 2.029 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.871 1.051 1.367 1.00 0.00 C ATOM 0 H LEU A 781 8.965 0.304 5.652 1.00 0.00 H new ATOM 0 HA LEU A 781 11.627 -0.499 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.814 -0.774 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.638 0.964 3.479 1.00 0.00 H new ATOM 0 HG LEU A 781 12.310 0.599 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.370 -1.215 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 781 12.048 -1.830 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.719 -1.690 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.602 1.050 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.923 0.659 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.728 2.070 1.725 1.00 0.00 H new ATOM 428 N LEU A 782 11.086 2.746 5.306 1.00 0.00 N ATOM 429 CA LEU A 782 11.745 4.042 5.426 1.00 0.00 C ATOM 430 C LEU A 782 12.764 4.023 6.558 1.00 0.00 C ATOM 431 O LEU A 782 13.939 4.319 6.348 1.00 0.00 O ATOM 432 CB LEU A 782 10.715 5.147 5.676 1.00 0.00 C ATOM 433 CG LEU A 782 10.133 5.789 4.418 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.916 6.631 4.766 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.185 6.631 3.717 1.00 0.00 C ATOM 0 H LEU A 782 10.070 2.782 5.390 1.00 0.00 H new ATOM 0 HA LEU A 782 12.263 4.246 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.897 4.733 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.180 5.926 6.280 1.00 0.00 H new ATOM 0 HG LEU A 782 9.819 4.997 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.514 7.081 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.156 5.999 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.205 7.417 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.754 7.081 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.529 7.417 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.028 6.000 3.435 1.00 0.00 H new ATOM 701 N ALA A 801 9.060 8.338 -4.304 1.00 0.00 N ATOM 702 CA ALA A 801 8.324 7.084 -4.329 1.00 0.00 C ATOM 703 C ALA A 801 7.551 6.865 -3.033 1.00 0.00 C ATOM 704 O ALA A 801 6.348 6.601 -3.062 1.00 0.00 O ATOM 705 CB ALA A 801 9.267 5.924 -4.594 1.00 0.00 C ATOM 0 HA ALA A 801 7.598 7.137 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.702 4.992 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.758 6.067 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 801 10.019 5.879 -3.806 1.00 0.00 H new ATOM 711 N THR A 802 8.233 6.992 -1.897 1.00 0.00 N ATOM 712 CA THR A 802 7.586 6.799 -0.607 1.00 0.00 C ATOM 713 C THR A 802 6.530 7.872 -0.380 1.00 0.00 C ATOM 714 O THR A 802 5.436 7.589 0.113 1.00 0.00 O ATOM 715 CB THR A 802 8.607 6.826 0.549 1.00 0.00 C ATOM 716 OG1 THR A 802 9.624 7.803 0.292 1.00 0.00 O ATOM 717 CG2 THR A 802 9.250 5.459 0.732 1.00 0.00 C ATOM 0 H THR A 802 9.225 7.226 -1.846 1.00 0.00 H new ATOM 0 HA THR A 802 7.112 5.817 -0.621 1.00 0.00 H new ATOM 0 HB THR A 802 8.075 7.091 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.463 7.520 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.967 5.501 1.552 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.480 4.722 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.765 5.173 -0.185 1.00 0.00 H new ATOM 725 N ASP A 803 6.859 9.096 -0.778 1.00 0.00 N ATOM 726 CA ASP A 803 5.948 10.228 -0.639 1.00 0.00 C ATOM 727 C ASP A 803 4.658 9.987 -1.409 1.00 0.00 C ATOM 728 O ASP A 803 3.565 10.122 -0.865 1.00 0.00 O ATOM 729 CB ASP A 803 6.609 11.509 -1.148 1.00 0.00 C ATOM 730 CG ASP A 803 5.727 12.727 -0.962 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.340 13.024 0.186 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.425 13.400 -1.968 1.00 0.00 O ATOM 0 H ASP A 803 7.756 9.331 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 803 5.712 10.337 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.551 11.662 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.849 11.396 -2.205 1.00 0.00 H new ATOM 737 N THR A 804 4.798 9.607 -2.672 1.00 0.00 N ATOM 738 CA THR A 804 3.651 9.375 -3.541 1.00 0.00 C ATOM 739 C THR A 804 2.738 8.291 -2.971 1.00 0.00 C ATOM 740 O THR A 804 1.526 8.475 -2.890 1.00 0.00 O ATOM 741 CB THR A 804 4.107 8.990 -4.964 1.00 0.00 C ATOM 742 OG1 THR A 804 4.968 10.010 -5.487 1.00 0.00 O ATOM 743 CG2 THR A 804 2.917 8.803 -5.895 1.00 0.00 C ATOM 0 H THR A 804 5.701 9.452 -3.120 1.00 0.00 H new ATOM 0 HA THR A 804 3.087 10.306 -3.596 1.00 0.00 H new ATOM 0 HB THR A 804 4.645 8.044 -4.903 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.258 9.762 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.272 8.532 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.275 8.010 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.350 9.732 -5.953 1.00 0.00 H new ATOM 751 N ILE A 805 3.328 7.176 -2.551 1.00 0.00 N ATOM 752 CA ILE A 805 2.562 6.079 -1.968 1.00 0.00 C ATOM 753 C ILE A 805 1.826 6.542 -0.717 1.00 0.00 C ATOM 754 O ILE A 805 0.605 6.416 -0.619 1.00 0.00 O ATOM 755 CB ILE A 805 3.476 4.892 -1.607 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.943 4.185 -2.872 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.767 3.909 -0.683 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.275 3.505 -2.704 1.00 0.00 C ATOM 0 H ILE A 805 4.333 7.008 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 805 1.838 5.754 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 805 4.344 5.284 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.198 3.446 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 805 4.010 4.910 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.438 3.083 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.479 4.417 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.876 3.522 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.556 3.019 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.030 4.245 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.205 2.758 -1.913 1.00 0.00 H new ATOM 770 N LEU A 806 2.582 7.088 0.226 1.00 0.00 N ATOM 771 CA LEU A 806 2.020 7.564 1.484 1.00 0.00 C ATOM 772 C LEU A 806 0.903 8.585 1.233 1.00 0.00 C ATOM 773 O LEU A 806 -0.177 8.483 1.819 1.00 0.00 O ATOM 774 CB LEU A 806 3.130 8.170 2.354 1.00 0.00 C ATOM 775 CG LEU A 806 3.056 7.862 3.856 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.020 8.753 4.620 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.643 8.036 4.391 1.00 0.00 C ATOM 0 H LEU A 806 3.591 7.213 0.143 1.00 0.00 H new ATOM 0 HA LEU A 806 1.582 6.718 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.091 7.818 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.115 9.252 2.225 1.00 0.00 H new ATOM 0 HG LEU A 806 3.341 6.820 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.959 8.526 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.036 8.575 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.757 9.798 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.627 7.810 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.318 9.065 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 806 0.969 7.358 3.866 1.00 0.00 H new ATOM 789 N THR A 807 1.152 9.546 0.349 1.00 0.00 N ATOM 790 CA THR A 807 0.155 10.559 0.025 1.00 0.00 C ATOM 791 C THR A 807 -1.079 9.930 -0.617 1.00 0.00 C ATOM 792 O THR A 807 -2.206 10.277 -0.270 1.00 0.00 O ATOM 793 CB THR A 807 0.726 11.643 -0.912 1.00 0.00 C ATOM 794 OG1 THR A 807 1.839 12.295 -0.286 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.332 12.681 -1.262 1.00 0.00 C ATOM 0 H THR A 807 2.034 9.644 -0.154 1.00 0.00 H new ATOM 0 HA THR A 807 -0.132 11.030 0.965 1.00 0.00 H new ATOM 0 HB THR A 807 1.051 11.154 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.634 11.727 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.100 13.432 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.168 12.194 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.686 13.161 -0.350 1.00 0.00 H new ATOM 803 N VAL A 808 -0.865 8.999 -1.542 1.00 0.00 N ATOM 804 CA VAL A 808 -1.970 8.318 -2.207 1.00 0.00 C ATOM 805 C VAL A 808 -2.841 7.585 -1.185 1.00 0.00 C ATOM 806 O VAL A 808 -4.066 7.710 -1.197 1.00 0.00 O ATOM 807 CB VAL A 808 -1.458 7.328 -3.281 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.480 6.237 -3.561 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.114 8.068 -4.566 1.00 0.00 C ATOM 0 H VAL A 808 0.061 8.700 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.573 9.076 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.556 6.854 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.089 5.559 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.679 5.681 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.405 6.688 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.756 7.357 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.003 8.573 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.337 8.805 -4.364 1.00 0.00 H new ATOM 819 N THR A 809 -2.202 6.844 -0.287 1.00 0.00 N ATOM 820 CA THR A 809 -2.919 6.138 0.767 1.00 0.00 C ATOM 821 C THR A 809 -3.662 7.127 1.669 1.00 0.00 C ATOM 822 O THR A 809 -4.818 6.906 2.035 1.00 0.00 O ATOM 823 CB THR A 809 -1.961 5.276 1.614 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.916 4.747 0.787 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.706 4.128 2.273 1.00 0.00 C ATOM 0 H THR A 809 -1.190 6.717 -0.268 1.00 0.00 H new ATOM 0 HA THR A 809 -3.643 5.479 0.288 1.00 0.00 H new ATOM 0 HB THR A 809 -1.532 5.910 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.238 5.438 0.634 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.009 3.534 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.486 4.526 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.158 3.499 1.506 1.00 0.00 H new ATOM 833 N GLU A 810 -2.996 8.232 1.994 1.00 0.00 N ATOM 834 CA GLU A 810 -3.597 9.290 2.797 1.00 0.00 C ATOM 835 C GLU A 810 -4.791 9.907 2.066 1.00 0.00 C ATOM 836 O GLU A 810 -5.771 10.314 2.690 1.00 0.00 O ATOM 837 CB GLU A 810 -2.552 10.366 3.109 1.00 0.00 C ATOM 838 CG GLU A 810 -2.743 11.036 4.459 1.00 0.00 C ATOM 839 CD GLU A 810 -2.107 10.258 5.592 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.706 9.262 6.043 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.002 10.640 6.040 1.00 0.00 O ATOM 0 H GLU A 810 -2.034 8.417 1.711 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.953 8.859 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.560 9.916 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.584 11.127 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.315 12.038 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.809 11.151 4.656 1.00 0.00 H new ATOM 848 N ASN A 811 -4.698 9.965 0.741 1.00 0.00 N ATOM 849 CA ASN A 811 -5.778 10.483 -0.096 1.00 0.00 C ATOM 850 C ASN A 811 -6.986 9.561 -0.035 1.00 0.00 C ATOM 851 O ASN A 811 -8.126 10.017 0.007 1.00 0.00 O ATOM 852 CB ASN A 811 -5.323 10.617 -1.552 1.00 0.00 C ATOM 853 CG ASN A 811 -4.526 11.880 -1.817 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.509 12.810 -1.008 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.859 11.916 -2.959 1.00 0.00 N ATOM 0 H ASN A 811 -3.878 9.657 0.219 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.051 11.467 0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.717 9.751 -1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.198 10.605 -2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.302 12.736 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.901 11.123 -3.600 1.00 0.00 H new ATOM 862 N ILE A 812 -6.728 8.258 -0.040 1.00 0.00 N ATOM 863 CA ILE A 812 -7.788 7.267 0.083 1.00 0.00 C ATOM 864 C ILE A 812 -8.468 7.397 1.445 1.00 0.00 C ATOM 865 O ILE A 812 -9.684 7.257 1.560 1.00 0.00 O ATOM 866 CB ILE A 812 -7.244 5.829 -0.106 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.974 5.555 -1.587 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.218 4.793 0.446 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.598 4.986 -1.858 1.00 0.00 C ATOM 0 H ILE A 812 -5.791 7.864 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.517 7.454 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.310 5.749 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.725 4.860 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.091 6.483 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.808 3.794 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.372 4.969 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.171 4.875 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.478 4.817 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.839 5.689 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.484 4.041 -1.327 1.00 0.00 H new ATOM 881 N PHE A 813 -7.670 7.690 2.468 1.00 0.00 N ATOM 882 CA PHE A 813 -8.188 7.904 3.814 1.00 0.00 C ATOM 883 C PHE A 813 -9.174 9.068 3.837 1.00 0.00 C ATOM 884 O PHE A 813 -10.223 8.995 4.476 1.00 0.00 O ATOM 885 CB PHE A 813 -7.043 8.187 4.789 1.00 0.00 C ATOM 886 CG PHE A 813 -6.434 6.956 5.393 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.227 6.003 6.010 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.065 6.752 5.345 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.666 4.870 6.568 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.499 5.622 5.900 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.300 4.680 6.513 1.00 0.00 C ATOM 0 H PHE A 813 -6.658 7.785 2.389 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.706 6.996 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.266 8.745 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.412 8.827 5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.296 6.147 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.433 7.486 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.296 4.134 7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.430 5.475 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.859 3.796 6.949 1.00 0.00 H new ATOM 901 N SER A 814 -8.836 10.139 3.130 1.00 0.00 N ATOM 902 CA SER A 814 -9.679 11.325 3.096 1.00 0.00 C ATOM 903 C SER A 814 -10.872 11.120 2.164 1.00 0.00 C ATOM 904 O SER A 814 -11.966 11.623 2.417 1.00 0.00 O ATOM 905 CB SER A 814 -8.861 12.537 2.649 1.00 0.00 C ATOM 906 OG SER A 814 -7.644 12.138 2.042 1.00 0.00 O ATOM 0 H SER A 814 -7.984 10.210 2.573 1.00 0.00 H new ATOM 0 HA SER A 814 -10.060 11.504 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.443 13.133 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.650 13.174 3.508 1.00 0.00 H new ATOM 0 HG SER A 814 -7.054 11.746 2.719 1.00 0.00 H new ATOM 912 N SER A 815 -10.657 10.367 1.093 1.00 0.00 N ATOM 913 CA SER A 815 -11.704 10.109 0.113 1.00 0.00 C ATOM 914 C SER A 815 -12.440 8.807 0.425 1.00 0.00 C ATOM 915 O SER A 815 -13.018 8.184 -0.467 1.00 0.00 O ATOM 916 CB SER A 815 -11.107 10.061 -1.294 1.00 0.00 C ATOM 917 OG SER A 815 -10.143 11.088 -1.470 1.00 0.00 O ATOM 0 H SER A 815 -9.764 9.923 0.881 1.00 0.00 H new ATOM 0 HA SER A 815 -12.427 10.923 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.644 9.089 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.900 10.170 -2.034 1.00 0.00 H new ATOM 0 HG SER A 815 -9.290 10.806 -1.079 1.00 0.00 H new ATOM 923 N MET A 816 -12.411 8.403 1.692 1.00 0.00 N ATOM 924 CA MET A 816 -13.120 7.210 2.137 1.00 0.00 C ATOM 925 C MET A 816 -14.621 7.456 2.099 1.00 0.00 C ATOM 926 O MET A 816 -15.234 7.864 3.087 1.00 0.00 O ATOM 927 CB MET A 816 -12.685 6.816 3.548 1.00 0.00 C ATOM 928 CG MET A 816 -12.375 5.337 3.690 1.00 0.00 C ATOM 929 SD MET A 816 -11.941 4.870 5.376 1.00 0.00 S ATOM 930 CE MET A 816 -10.308 4.188 5.113 1.00 0.00 C ATOM 0 H MET A 816 -11.901 8.888 2.431 1.00 0.00 H new ATOM 0 HA MET A 816 -12.875 6.389 1.463 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.802 7.393 3.823 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.473 7.084 4.252 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.240 4.757 3.369 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.553 5.078 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.685 4.389 5.985 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.384 3.111 4.961 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.859 4.648 4.233 1.00 0.00 H new ATOM 940 N GLY A 817 -15.195 7.211 0.942 1.00 0.00 N ATOM 941 CA GLY A 817 -16.591 7.492 0.710 1.00 0.00 C ATOM 942 C GLY A 817 -16.853 7.609 -0.766 1.00 0.00 C ATOM 943 O GLY A 817 -17.939 7.289 -1.248 1.00 0.00 O ATOM 0 H GLY A 817 -14.708 6.813 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.206 6.699 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.873 8.417 1.212 1.00 0.00 H new ATOM 947 N ASP A 818 -15.838 8.068 -1.485 1.00 0.00 N ATOM 948 CA ASP A 818 -15.875 8.098 -2.937 1.00 0.00 C ATOM 949 C ASP A 818 -15.131 6.890 -3.477 1.00 0.00 C ATOM 950 O ASP A 818 -13.903 6.895 -3.578 1.00 0.00 O ATOM 951 CB ASP A 818 -15.249 9.385 -3.482 1.00 0.00 C ATOM 952 CG ASP A 818 -15.595 9.623 -4.942 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.316 8.741 -5.784 1.00 0.00 O ATOM 954 OD2 ASP A 818 -16.157 10.697 -5.255 1.00 0.00 O ATOM 0 H ASP A 818 -14.973 8.427 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.915 8.071 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.591 10.232 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.166 9.334 -3.372 1.00 0.00 H new ATOM 959 N ALA A 819 -15.882 5.852 -3.803 1.00 0.00 N ATOM 960 CA ALA A 819 -15.307 4.596 -4.258 1.00 0.00 C ATOM 961 C ALA A 819 -14.512 4.783 -5.543 1.00 0.00 C ATOM 962 O ALA A 819 -13.493 4.123 -5.754 1.00 0.00 O ATOM 963 CB ALA A 819 -16.404 3.570 -4.458 1.00 0.00 C ATOM 0 H ALA A 819 -16.901 5.855 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.618 4.239 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.967 2.632 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.925 3.406 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.110 3.933 -5.204 1.00 0.00 H new ATOM 969 N GLY A 820 -14.967 5.699 -6.386 1.00 0.00 N ATOM 970 CA GLY A 820 -14.296 5.942 -7.645 1.00 0.00 C ATOM 971 C GLY A 820 -12.915 6.530 -7.444 1.00 0.00 C ATOM 972 O GLY A 820 -11.938 6.039 -8.011 1.00 0.00 O ATOM 0 H GLY A 820 -15.790 6.278 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.215 5.007 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.895 6.622 -8.251 1.00 0.00 H new ATOM 976 N GLU A 821 -12.831 7.569 -6.619 1.00 0.00 N ATOM 977 CA GLU A 821 -11.550 8.189 -6.298 1.00 0.00 C ATOM 978 C GLU A 821 -10.651 7.202 -5.561 1.00 0.00 C ATOM 979 O GLU A 821 -9.437 7.177 -5.766 1.00 0.00 O ATOM 980 CB GLU A 821 -11.758 9.442 -5.444 1.00 0.00 C ATOM 981 CG GLU A 821 -10.532 10.341 -5.372 1.00 0.00 C ATOM 982 CD GLU A 821 -10.240 11.034 -6.687 1.00 0.00 C ATOM 983 OE1 GLU A 821 -11.198 11.484 -7.350 1.00 0.00 O ATOM 984 OE2 GLU A 821 -9.052 11.137 -7.065 1.00 0.00 O ATOM 0 H GLU A 821 -13.634 7.999 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.067 8.477 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.594 10.013 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.037 9.141 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.681 11.091 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.667 9.746 -5.079 1.00 0.00 H new ATOM 991 N MET A 822 -11.261 6.381 -4.714 1.00 0.00 N ATOM 992 CA MET A 822 -10.522 5.388 -3.946 1.00 0.00 C ATOM 993 C MET A 822 -9.842 4.385 -4.872 1.00 0.00 C ATOM 994 O MET A 822 -8.641 4.149 -4.761 1.00 0.00 O ATOM 995 CB MET A 822 -11.451 4.663 -2.974 1.00 0.00 C ATOM 996 CG MET A 822 -11.554 5.341 -1.617 1.00 0.00 C ATOM 997 SD MET A 822 -12.975 4.772 -0.664 1.00 0.00 S ATOM 998 CE MET A 822 -12.718 3.001 -0.713 1.00 0.00 C ATOM 0 H MET A 822 -12.266 6.384 -4.542 1.00 0.00 H new ATOM 0 HA MET A 822 -9.752 5.906 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.446 4.597 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.095 3.642 -2.836 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.642 5.152 -1.050 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.624 6.420 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.396 2.515 -0.011 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.914 2.633 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.688 2.775 -0.438 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.609 3.809 -5.794 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.063 2.852 -6.754 1.00 0.00 C ATOM 1010 C VAL A 823 -9.061 3.538 -7.682 1.00 0.00 C ATOM 1011 O VAL A 823 -8.020 2.970 -8.020 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.181 2.185 -7.592 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.596 1.275 -8.664 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.124 1.401 -6.691 1.00 0.00 C ATOM 0 H VAL A 823 -11.608 3.987 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.554 2.074 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.744 2.975 -8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.405 0.821 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.963 1.859 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.001 0.493 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.904 0.938 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.565 0.627 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.579 2.076 -5.966 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.378 4.770 -8.072 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.490 5.575 -8.904 1.00 0.00 C ATOM 1026 C ARG A 824 -7.112 5.694 -8.268 1.00 0.00 C ATOM 1027 O ARG A 824 -6.099 5.381 -8.897 1.00 0.00 O ATOM 1028 CB ARG A 824 -9.089 6.968 -9.115 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.421 7.765 -10.222 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.254 9.224 -9.830 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.952 9.748 -10.231 1.00 0.00 N ATOM 1032 CZ ARG A 824 -6.375 10.819 -9.694 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -6.978 11.498 -8.724 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -5.185 11.208 -10.128 1.00 0.00 N ATOM 0 H ARG A 824 -10.251 5.235 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.383 5.080 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -10.150 6.866 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -9.017 7.529 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.446 7.333 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.017 7.697 -11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -9.043 9.817 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -8.370 9.326 -8.751 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.451 9.260 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.892 11.199 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -6.527 12.318 -8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.717 10.687 -10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -4.737 12.029 -9.720 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.081 6.123 -7.012 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.825 6.319 -6.308 1.00 0.00 C ATOM 1050 C GLN A 825 -5.191 4.985 -5.931 1.00 0.00 C ATOM 1051 O GLN A 825 -3.972 4.865 -5.902 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.033 7.189 -5.070 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.401 8.625 -5.410 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.199 9.544 -5.492 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.244 9.422 -4.723 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.240 10.484 -6.422 1.00 0.00 N ATOM 0 H GLN A 825 -7.912 6.341 -6.463 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.140 6.835 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.820 6.754 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.122 7.185 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -6.930 8.642 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.091 9.005 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.048 10.554 -7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -4.464 11.138 -6.520 1.00 0.00 H new ATOM 1065 N ALA A 826 -6.019 3.981 -5.664 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.518 2.644 -5.364 1.00 0.00 C ATOM 1067 C ALA A 826 -4.709 2.098 -6.538 1.00 0.00 C ATOM 1068 O ALA A 826 -3.705 1.408 -6.350 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.667 1.705 -5.021 1.00 0.00 C ATOM 0 H ALA A 826 -7.035 4.066 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.861 2.711 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.273 0.713 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.200 2.086 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.352 1.643 -5.867 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.143 2.424 -7.752 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.427 2.023 -8.955 1.00 0.00 C ATOM 1077 C ARG A 827 -3.082 2.742 -9.039 1.00 0.00 C ATOM 1078 O ARG A 827 -2.075 2.155 -9.445 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.266 2.317 -10.201 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.381 1.309 -10.430 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.298 1.734 -11.565 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.880 1.165 -12.846 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.101 1.740 -14.029 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.789 2.874 -14.108 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.641 1.169 -15.136 1.00 0.00 N ATOM 0 H ARG A 827 -5.989 2.966 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.245 0.949 -8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.700 3.313 -10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.614 2.331 -11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.949 0.334 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.963 1.195 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.318 1.421 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.307 2.822 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 827 -6.388 0.272 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.152 3.310 -13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -7.954 3.308 -15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.121 0.294 -15.080 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.808 1.606 -16.042 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.070 4.011 -8.641 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.836 4.789 -8.589 1.00 0.00 C ATOM 1101 C ILE A 828 -0.911 4.217 -7.517 1.00 0.00 C ATOM 1102 O ILE A 828 0.301 4.105 -7.710 1.00 0.00 O ATOM 1103 CB ILE A 828 -2.115 6.282 -8.284 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -3.156 6.843 -9.258 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.829 7.094 -8.358 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -4.088 7.866 -8.637 1.00 0.00 C ATOM 0 H ILE A 828 -3.902 4.523 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.360 4.725 -9.568 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.512 6.356 -7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.640 7.301 -10.102 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.749 6.019 -9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -1.046 8.140 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.115 6.712 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.404 7.012 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.796 8.217 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.632 7.408 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.506 8.709 -8.265 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.511 3.842 -6.393 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.798 3.207 -5.292 1.00 0.00 C ATOM 1120 C LEU A 829 -0.072 1.954 -5.774 1.00 0.00 C ATOM 1121 O LEU A 829 1.118 1.772 -5.506 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.786 2.848 -4.174 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.171 2.284 -2.890 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.023 3.115 -2.454 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.214 2.233 -1.784 1.00 0.00 C ATOM 0 H LEU A 829 -2.508 3.970 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.056 3.906 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.355 3.742 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.496 2.119 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.825 1.270 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.444 2.696 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.779 3.106 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.296 4.141 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.763 1.830 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.586 3.239 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.041 1.594 -2.093 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.796 1.105 -6.497 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.231 -0.131 -7.026 1.00 0.00 C ATOM 1139 C ALA A 830 0.988 0.153 -7.896 1.00 0.00 C ATOM 1140 O ALA A 830 2.022 -0.501 -7.761 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.282 -0.898 -7.814 1.00 0.00 C ATOM 0 H ALA A 830 -1.778 1.251 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 830 0.092 -0.745 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.846 -1.818 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.120 -1.141 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.634 -0.285 -8.644 1.00 0.00 H new ATOM 1147 N GLN A 831 0.863 1.146 -8.767 1.00 0.00 N ATOM 1148 CA GLN A 831 1.950 1.530 -9.661 1.00 0.00 C ATOM 1149 C GLN A 831 3.167 2.001 -8.869 1.00 0.00 C ATOM 1150 O GLN A 831 4.271 1.479 -9.035 1.00 0.00 O ATOM 1151 CB GLN A 831 1.488 2.639 -10.606 1.00 0.00 C ATOM 1152 CG GLN A 831 2.380 2.816 -11.821 1.00 0.00 C ATOM 1153 CD GLN A 831 1.835 2.113 -13.048 1.00 0.00 C ATOM 1154 OE1 GLN A 831 0.818 1.420 -12.981 1.00 0.00 O ATOM 1155 NE2 GLN A 831 2.501 2.288 -14.174 1.00 0.00 N ATOM 0 H GLN A 831 0.015 1.703 -8.874 1.00 0.00 H new ATOM 0 HA GLN A 831 2.234 0.654 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.474 2.421 -10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.447 3.579 -10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 831 2.491 3.879 -12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.375 2.430 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 831 3.339 2.870 -14.186 1.00 0.00 H new ATOM 0 HE22 GLN A 831 2.178 1.841 -15.032 1.00 0.00 H new ATOM 1164 N ALA A 832 2.945 2.972 -7.989 1.00 0.00 N ATOM 1165 CA ALA A 832 4.021 3.575 -7.214 1.00 0.00 C ATOM 1166 C ALA A 832 4.749 2.544 -6.354 1.00 0.00 C ATOM 1167 O ALA A 832 5.976 2.574 -6.244 1.00 0.00 O ATOM 1168 CB ALA A 832 3.474 4.701 -6.350 1.00 0.00 C ATOM 0 H ALA A 832 2.022 3.360 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 832 4.749 3.983 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.286 5.145 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.022 5.462 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.721 4.304 -5.669 1.00 0.00 H new ATOM 1174 N THR A 833 4.000 1.625 -5.754 1.00 0.00 N ATOM 1175 CA THR A 833 4.601 0.614 -4.891 1.00 0.00 C ATOM 1176 C THR A 833 5.430 -0.383 -5.695 1.00 0.00 C ATOM 1177 O THR A 833 6.508 -0.785 -5.264 1.00 0.00 O ATOM 1178 CB THR A 833 3.544 -0.151 -4.076 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.596 0.762 -3.508 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.208 -0.955 -2.967 1.00 0.00 C ATOM 0 H THR A 833 2.986 1.559 -5.847 1.00 0.00 H new ATOM 0 HA THR A 833 5.252 1.150 -4.201 1.00 0.00 H new ATOM 0 HB THR A 833 3.023 -0.834 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.013 1.110 -4.215 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.447 -1.490 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.905 -1.670 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.748 -0.281 -2.302 1.00 0.00 H new ATOM 1188 N SER A 834 4.935 -0.762 -6.868 1.00 0.00 N ATOM 1189 CA SER A 834 5.628 -1.735 -7.703 1.00 0.00 C ATOM 1190 C SER A 834 7.019 -1.230 -8.082 1.00 0.00 C ATOM 1191 O SER A 834 7.993 -1.984 -8.064 1.00 0.00 O ATOM 1192 CB SER A 834 4.804 -2.041 -8.957 1.00 0.00 C ATOM 1193 OG SER A 834 3.513 -2.520 -8.608 1.00 0.00 O ATOM 0 H SER A 834 4.061 -0.412 -7.260 1.00 0.00 H new ATOM 0 HA SER A 834 5.747 -2.656 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.711 -1.141 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.320 -2.784 -9.565 1.00 0.00 H new ATOM 0 HG SER A 834 2.932 -1.763 -8.385 1.00 0.00 H new ATOM 1199 N ASP A 835 7.111 0.059 -8.388 1.00 0.00 N ATOM 1200 CA ASP A 835 8.387 0.670 -8.737 1.00 0.00 C ATOM 1201 C ASP A 835 9.304 0.740 -7.520 1.00 0.00 C ATOM 1202 O ASP A 835 10.518 0.556 -7.633 1.00 0.00 O ATOM 1203 CB ASP A 835 8.171 2.071 -9.311 1.00 0.00 C ATOM 1204 CG ASP A 835 9.148 2.393 -10.421 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.030 1.802 -11.514 1.00 0.00 O ATOM 1206 OD2 ASP A 835 10.037 3.245 -10.210 1.00 0.00 O ATOM 0 H ASP A 835 6.318 0.700 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 835 8.863 0.048 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.153 2.153 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.274 2.808 -8.514 1.00 0.00 H new ATOM 1211 N LEU A 836 8.708 0.999 -6.359 1.00 0.00 N ATOM 1212 CA LEU A 836 9.449 1.070 -5.101 1.00 0.00 C ATOM 1213 C LEU A 836 10.041 -0.291 -4.746 1.00 0.00 C ATOM 1214 O LEU A 836 11.241 -0.410 -4.493 1.00 0.00 O ATOM 1215 CB LEU A 836 8.524 1.557 -3.973 1.00 0.00 C ATOM 1216 CG LEU A 836 9.018 1.307 -2.542 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.163 2.249 -2.204 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.880 1.481 -1.549 1.00 0.00 C ATOM 0 H LEU A 836 7.706 1.164 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 836 10.268 1.779 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.363 2.628 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.554 1.073 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 836 9.381 0.281 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.502 2.059 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.987 2.083 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.822 3.281 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.248 1.300 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.490 2.497 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.085 0.771 -1.778 1.00 0.00 H new ATOM 1230 N VAL A 837 9.195 -1.313 -4.753 1.00 0.00 N ATOM 1231 CA VAL A 837 9.614 -2.663 -4.401 1.00 0.00 C ATOM 1232 C VAL A 837 10.668 -3.178 -5.378 1.00 0.00 C ATOM 1233 O VAL A 837 11.667 -3.772 -4.970 1.00 0.00 O ATOM 1234 CB VAL A 837 8.410 -3.630 -4.372 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.850 -5.043 -4.023 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.362 -3.143 -3.383 1.00 0.00 C ATOM 0 H VAL A 837 8.209 -1.231 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 837 10.050 -2.621 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 837 7.970 -3.650 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 837 7.982 -5.702 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.563 -5.397 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.322 -5.045 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.520 -3.835 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.799 -3.091 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.015 -2.153 -3.679 1.00 0.00 H new ATOM 1246 N ASN A 838 10.451 -2.927 -6.666 1.00 0.00 N ATOM 1247 CA ASN A 838 11.390 -3.350 -7.703 1.00 0.00 C ATOM 1248 C ASN A 838 12.758 -2.702 -7.502 1.00 0.00 C ATOM 1249 O ASN A 838 13.794 -3.348 -7.681 1.00 0.00 O ATOM 1250 CB ASN A 838 10.855 -2.996 -9.094 1.00 0.00 C ATOM 1251 CG ASN A 838 11.780 -3.460 -10.203 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.840 -4.648 -10.521 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.507 -2.530 -10.802 1.00 0.00 N ATOM 0 H ASN A 838 9.632 -2.432 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 838 11.500 -4.432 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.873 -3.450 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.720 -1.917 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.145 -2.788 -11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.430 -1.556 -10.510 1.00 0.00 H new ATOM 1260 N ALA A 839 12.753 -1.428 -7.120 1.00 0.00 N ATOM 1261 CA ALA A 839 13.988 -0.683 -6.911 1.00 0.00 C ATOM 1262 C ALA A 839 14.807 -1.296 -5.782 1.00 0.00 C ATOM 1263 O ALA A 839 16.012 -1.515 -5.926 1.00 0.00 O ATOM 1264 CB ALA A 839 13.682 0.777 -6.613 1.00 0.00 C ATOM 0 H ALA A 839 11.904 -0.890 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 839 14.577 -0.736 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.614 1.320 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.142 1.214 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.070 0.844 -5.713 1.00 0.00 H new ATOM 1270 N ILE A 840 14.142 -1.582 -4.670 1.00 0.00 N ATOM 1271 CA ILE A 840 14.796 -2.196 -3.524 1.00 0.00 C ATOM 1272 C ILE A 840 15.247 -3.612 -3.857 1.00 0.00 C ATOM 1273 O ILE A 840 16.346 -4.022 -3.488 1.00 0.00 O ATOM 1274 CB ILE A 840 13.864 -2.229 -2.294 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.409 -0.813 -1.947 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.564 -2.870 -1.102 1.00 0.00 C ATOM 1277 CD1 ILE A 840 12.017 -0.749 -1.368 1.00 0.00 C ATOM 0 H ILE A 840 13.147 -1.398 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 840 15.667 -1.587 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 840 12.989 -2.832 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.110 -0.380 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.448 -0.198 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.888 -2.882 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.849 -3.891 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.456 -2.295 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.762 0.287 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.305 -1.152 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.977 -1.337 -0.451 1.00 0.00 H new ATOM 1289 N LYS A 841 14.397 -4.344 -4.572 1.00 0.00 N ATOM 1290 CA LYS A 841 14.696 -5.716 -4.970 1.00 0.00 C ATOM 1291 C LYS A 841 16.044 -5.803 -5.682 1.00 0.00 C ATOM 1292 O LYS A 841 16.877 -6.651 -5.358 1.00 0.00 O ATOM 1293 CB LYS A 841 13.593 -6.253 -5.884 1.00 0.00 C ATOM 1294 CG LYS A 841 12.648 -7.227 -5.200 1.00 0.00 C ATOM 1295 CD LYS A 841 11.744 -7.921 -6.207 1.00 0.00 C ATOM 1296 CE LYS A 841 10.283 -7.561 -5.989 1.00 0.00 C ATOM 1297 NZ LYS A 841 9.505 -7.593 -7.255 1.00 0.00 N ATOM 0 H LYS A 841 13.489 -4.006 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 841 14.745 -6.324 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.016 -5.414 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.052 -6.748 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.225 -7.972 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.040 -6.694 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.041 -7.641 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 841 11.869 -9.001 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 841 9.841 -8.256 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 841 10.217 -6.566 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 8.515 -7.341 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 9.909 -6.911 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 9.546 -8.549 -7.663 1.00 0.00 H new ATOM 1508 N LEU A 856 15.712 -6.061 3.966 1.00 0.00 N ATOM 1509 CA LEU A 856 15.323 -5.066 2.990 1.00 0.00 C ATOM 1510 C LEU A 856 14.224 -5.583 2.083 1.00 0.00 C ATOM 1511 O LEU A 856 13.193 -4.937 1.891 1.00 0.00 O ATOM 1512 CB LEU A 856 16.548 -4.715 2.156 1.00 0.00 C ATOM 1513 CG LEU A 856 17.308 -3.484 2.640 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.726 -3.478 2.092 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.576 -2.208 2.252 1.00 0.00 C ATOM 0 HA LEU A 856 14.940 -4.187 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.227 -5.568 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.236 -4.552 1.125 1.00 0.00 H new ATOM 0 HG LEU A 856 17.362 -3.526 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.250 -2.592 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.251 -4.371 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.695 -3.467 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.137 -1.344 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.482 -2.158 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.583 -2.207 2.702 1.00 0.00 H new ATOM 1527 N LEU A 857 14.451 -6.763 1.550 1.00 0.00 N ATOM 1528 CA LEU A 857 13.546 -7.356 0.594 1.00 0.00 C ATOM 1529 C LEU A 857 12.297 -7.899 1.272 1.00 0.00 C ATOM 1530 O LEU A 857 11.231 -7.947 0.661 1.00 0.00 O ATOM 1531 CB LEU A 857 14.284 -8.428 -0.190 1.00 0.00 C ATOM 1532 CG LEU A 857 15.608 -7.943 -0.785 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.668 -9.030 -0.687 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.411 -7.526 -2.230 1.00 0.00 C ATOM 0 H LEU A 857 15.266 -7.336 1.767 1.00 0.00 H new ATOM 0 HA LEU A 857 13.203 -6.590 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.478 -9.278 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.642 -8.786 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 857 15.949 -7.079 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.602 -8.667 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.826 -9.291 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.337 -9.912 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.360 -7.183 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.051 -8.377 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.681 -6.718 -2.279 1.00 0.00 H new ATOM 1546 N SER A 858 12.425 -8.304 2.532 1.00 0.00 N ATOM 1547 CA SER A 858 11.264 -8.699 3.320 1.00 0.00 C ATOM 1548 C SER A 858 10.290 -7.535 3.428 1.00 0.00 C ATOM 1549 O SER A 858 9.095 -7.688 3.178 1.00 0.00 O ATOM 1550 CB SER A 858 11.683 -9.150 4.720 1.00 0.00 C ATOM 1551 OG SER A 858 12.505 -10.304 4.671 1.00 0.00 O ATOM 0 H SER A 858 13.315 -8.367 3.026 1.00 0.00 H new ATOM 0 HA SER A 858 10.778 -9.535 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.218 -8.342 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.795 -9.360 5.317 1.00 0.00 H new ATOM 0 HG SER A 858 12.757 -10.565 5.581 1.00 0.00 H new ATOM 1557 N ALA A 859 10.819 -6.364 3.774 1.00 0.00 N ATOM 1558 CA ALA A 859 10.007 -5.161 3.906 1.00 0.00 C ATOM 1559 C ALA A 859 9.375 -4.791 2.569 1.00 0.00 C ATOM 1560 O ALA A 859 8.206 -4.413 2.508 1.00 0.00 O ATOM 1561 CB ALA A 859 10.848 -4.011 4.440 1.00 0.00 C ATOM 0 H ALA A 859 11.811 -6.224 3.968 1.00 0.00 H new ATOM 0 HA ALA A 859 9.205 -5.361 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.228 -3.119 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.250 -4.277 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.670 -3.811 3.752 1.00 0.00 H new ATOM 1567 N ALA A 860 10.155 -4.915 1.501 1.00 0.00 N ATOM 1568 CA ALA A 860 9.662 -4.647 0.157 1.00 0.00 C ATOM 1569 C ALA A 860 8.539 -5.616 -0.212 1.00 0.00 C ATOM 1570 O ALA A 860 7.580 -5.243 -0.887 1.00 0.00 O ATOM 1571 CB ALA A 860 10.800 -4.736 -0.849 1.00 0.00 C ATOM 0 H ALA A 860 11.134 -5.200 1.541 1.00 0.00 H new ATOM 0 HA ALA A 860 9.256 -3.636 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.418 -4.534 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.566 -4.002 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.233 -5.736 -0.821 1.00 0.00 H new ATOM 1577 N LYS A 861 8.661 -6.857 0.243 1.00 0.00 N ATOM 1578 CA LYS A 861 7.633 -7.861 0.006 1.00 0.00 C ATOM 1579 C LYS A 861 6.346 -7.484 0.735 1.00 0.00 C ATOM 1580 O LYS A 861 5.250 -7.649 0.198 1.00 0.00 O ATOM 1581 CB LYS A 861 8.116 -9.246 0.450 1.00 0.00 C ATOM 1582 CG LYS A 861 8.993 -9.941 -0.582 1.00 0.00 C ATOM 1583 CD LYS A 861 9.562 -11.247 -0.049 1.00 0.00 C ATOM 1584 CE LYS A 861 11.078 -11.191 0.079 1.00 0.00 C ATOM 1585 NZ LYS A 861 11.757 -11.398 -1.229 1.00 0.00 N ATOM 0 H LYS A 861 9.462 -7.192 0.778 1.00 0.00 H new ATOM 0 HA LYS A 861 7.428 -7.899 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.673 -9.147 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.250 -9.874 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 861 8.410 -10.138 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 861 9.810 -9.279 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.123 -11.465 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 861 9.283 -12.064 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 861 11.371 -10.225 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 861 11.410 -11.953 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 12.787 -11.352 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 11.498 -12.330 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 11.460 -10.657 -1.895 1.00 0.00 H new ATOM 1599 N ILE A 862 6.485 -6.959 1.953 1.00 0.00 N ATOM 1600 CA ILE A 862 5.334 -6.472 2.710 1.00 0.00 C ATOM 1601 C ILE A 862 4.684 -5.306 1.980 1.00 0.00 C ATOM 1602 O ILE A 862 3.461 -5.217 1.908 1.00 0.00 O ATOM 1603 CB ILE A 862 5.710 -6.009 4.136 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.610 -7.031 4.828 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.453 -5.772 4.963 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.364 -6.460 6.008 1.00 0.00 C ATOM 0 H ILE A 862 7.379 -6.861 2.434 1.00 0.00 H new ATOM 0 HA ILE A 862 4.643 -7.311 2.796 1.00 0.00 H new ATOM 0 HB ILE A 862 6.262 -5.073 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.002 -7.871 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.324 -7.425 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.733 -5.446 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.845 -5.002 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.881 -6.697 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.984 -7.237 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.997 -5.639 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.655 -6.092 6.749 1.00 0.00 H new ATOM 1618 N LEU A 863 5.519 -4.417 1.444 1.00 0.00 N ATOM 1619 CA LEU A 863 5.047 -3.274 0.669 1.00 0.00 C ATOM 1620 C LEU A 863 4.118 -3.739 -0.449 1.00 0.00 C ATOM 1621 O LEU A 863 2.967 -3.314 -0.536 1.00 0.00 O ATOM 1622 CB LEU A 863 6.237 -2.513 0.065 1.00 0.00 C ATOM 1623 CG LEU A 863 6.570 -1.158 0.703 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.306 -0.349 0.955 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.350 -1.354 1.995 1.00 0.00 C ATOM 0 H LEU A 863 6.534 -4.469 1.534 1.00 0.00 H new ATOM 0 HA LEU A 863 4.498 -2.609 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.120 -3.149 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.039 -2.353 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 863 7.193 -0.598 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.570 0.607 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.792 -0.173 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.649 -0.900 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.578 -0.382 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.753 -1.938 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.279 -1.883 1.782 1.00 0.00 H new ATOM 1637 N ALA A 864 4.626 -4.640 -1.284 1.00 0.00 N ATOM 1638 CA ALA A 864 3.871 -5.152 -2.421 1.00 0.00 C ATOM 1639 C ALA A 864 2.610 -5.886 -1.972 1.00 0.00 C ATOM 1640 O ALA A 864 1.546 -5.743 -2.578 1.00 0.00 O ATOM 1641 CB ALA A 864 4.749 -6.072 -3.254 1.00 0.00 C ATOM 0 H ALA A 864 5.563 -5.032 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 864 3.560 -4.303 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.178 -6.451 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.614 -5.518 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.085 -6.908 -2.641 1.00 0.00 H new ATOM 1647 N ASP A 865 2.737 -6.673 -0.910 1.00 0.00 N ATOM 1648 CA ASP A 865 1.610 -7.441 -0.384 1.00 0.00 C ATOM 1649 C ASP A 865 0.530 -6.518 0.173 1.00 0.00 C ATOM 1650 O ASP A 865 -0.663 -6.708 -0.084 1.00 0.00 O ATOM 1651 CB ASP A 865 2.087 -8.403 0.708 1.00 0.00 C ATOM 1652 CG ASP A 865 0.952 -9.201 1.315 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.224 -9.877 0.560 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.783 -9.158 2.554 1.00 0.00 O ATOM 0 H ASP A 865 3.608 -6.797 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 865 1.181 -8.015 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.824 -9.088 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.589 -7.837 1.493 1.00 0.00 H new ATOM 1659 N ALA A 866 0.955 -5.508 0.921 1.00 0.00 N ATOM 1660 CA ALA A 866 0.033 -4.565 1.537 1.00 0.00 C ATOM 1661 C ALA A 866 -0.723 -3.771 0.481 1.00 0.00 C ATOM 1662 O ALA A 866 -1.930 -3.570 0.594 1.00 0.00 O ATOM 1663 CB ALA A 866 0.777 -3.626 2.475 1.00 0.00 C ATOM 0 H ALA A 866 1.939 -5.321 1.116 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.693 -5.134 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 866 0.072 -2.928 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.265 -4.206 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.528 -3.070 1.913 1.00 0.00 H new ATOM 1669 N THR A 867 -0.014 -3.334 -0.551 1.00 0.00 N ATOM 1670 CA THR A 867 -0.625 -2.566 -1.624 1.00 0.00 C ATOM 1671 C THR A 867 -1.638 -3.402 -2.408 1.00 0.00 C ATOM 1672 O THR A 867 -2.647 -2.876 -2.879 1.00 0.00 O ATOM 1673 CB THR A 867 0.445 -1.994 -2.567 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.373 -1.215 -1.806 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.177 -1.128 -3.650 1.00 0.00 C ATOM 0 H THR A 867 0.986 -3.499 -0.667 1.00 0.00 H new ATOM 0 HA THR A 867 -1.162 -1.736 -1.165 1.00 0.00 H new ATOM 0 HB THR A 867 0.957 -2.825 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.670 -0.448 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.607 -0.739 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.873 -1.726 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.712 -0.297 -3.189 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.387 -4.702 -2.540 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.359 -5.588 -3.173 1.00 0.00 C ATOM 1685 C ALA A 868 -3.618 -5.663 -2.330 1.00 0.00 C ATOM 1686 O ALA A 868 -4.730 -5.645 -2.852 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.798 -6.983 -3.374 1.00 0.00 C ATOM 0 H ALA A 868 -0.533 -5.160 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.594 -5.174 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.551 -7.613 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.915 -6.932 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.525 -7.408 -2.408 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.427 -5.738 -1.020 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.541 -5.758 -0.086 1.00 0.00 C ATOM 1695 C LYS A 869 -5.276 -4.427 -0.130 1.00 0.00 C ATOM 1696 O LYS A 869 -6.497 -4.382 -0.060 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.043 -6.034 1.333 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.577 -7.326 1.924 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.773 -7.754 3.139 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.484 -7.392 4.433 1.00 0.00 C ATOM 1701 NZ LYS A 869 -4.923 -8.599 5.179 1.00 0.00 N ATOM 0 H LYS A 869 -2.508 -5.786 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.226 -6.555 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -2.954 -6.070 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.330 -5.203 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.622 -7.195 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -4.546 -8.113 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.604 -8.830 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.793 -7.277 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -3.818 -6.800 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -5.350 -6.768 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -5.403 -8.310 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -5.579 -9.151 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -4.095 -9.182 5.415 1.00 0.00 H new ATOM 1715 N MET A 870 -4.514 -3.349 -0.256 1.00 0.00 N ATOM 1716 CA MET A 870 -5.077 -2.009 -0.347 1.00 0.00 C ATOM 1717 C MET A 870 -5.904 -1.850 -1.618 1.00 0.00 C ATOM 1718 O MET A 870 -7.040 -1.377 -1.575 1.00 0.00 O ATOM 1719 CB MET A 870 -3.963 -0.962 -0.314 1.00 0.00 C ATOM 1720 CG MET A 870 -4.209 0.154 0.684 1.00 0.00 C ATOM 1721 SD MET A 870 -5.960 0.493 0.934 1.00 0.00 S ATOM 1722 CE MET A 870 -6.172 1.908 -0.136 1.00 0.00 C ATOM 0 H MET A 870 -3.495 -3.378 -0.298 1.00 0.00 H new ATOM 0 HA MET A 870 -5.732 -1.859 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.021 -1.454 -0.072 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.851 -0.531 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.755 -0.112 1.639 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.714 1.061 0.337 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.186 1.914 -0.535 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.000 2.822 0.432 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.459 1.852 -0.959 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.331 -2.255 -2.746 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.030 -2.182 -4.020 1.00 0.00 C ATOM 1734 C VAL A 871 -7.271 -3.071 -3.990 1.00 0.00 C ATOM 1735 O VAL A 871 -8.324 -2.707 -4.513 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.095 -2.562 -5.208 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.330 -3.984 -5.708 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.260 -1.570 -6.345 1.00 0.00 C ATOM 0 H VAL A 871 -4.387 -2.636 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.345 -1.150 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.072 -2.521 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.652 -4.195 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.145 -4.690 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.361 -4.084 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.601 -1.847 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.294 -1.579 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.003 -0.570 -5.996 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.150 -4.215 -3.331 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.245 -5.161 -3.234 1.00 0.00 C ATOM 1750 C GLU A 872 -9.321 -4.645 -2.281 1.00 0.00 C ATOM 1751 O GLU A 872 -10.514 -4.819 -2.526 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.721 -6.529 -2.781 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.252 -7.692 -3.609 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.023 -7.242 -4.838 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.387 -6.780 -5.810 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.268 -7.358 -4.841 1.00 0.00 O ATOM 0 H GLU A 872 -6.298 -4.509 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.698 -5.274 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.632 -6.526 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.992 -6.684 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.417 -8.320 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.900 -8.309 -2.986 1.00 0.00 H new ATOM 1763 N ALA A 873 -8.897 -4.001 -1.203 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.822 -3.421 -0.241 1.00 0.00 C ATOM 1765 C ALA A 873 -10.613 -2.283 -0.870 1.00 0.00 C ATOM 1766 O ALA A 873 -11.834 -2.217 -0.732 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.078 -2.926 0.988 1.00 0.00 C ATOM 0 H ALA A 873 -7.913 -3.867 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.521 -4.200 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -9.788 -2.496 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.558 -3.760 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.354 -2.166 0.694 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.912 -1.396 -1.569 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.549 -0.263 -2.228 1.00 0.00 C ATOM 1775 C ALA A 874 -11.563 -0.733 -3.263 1.00 0.00 C ATOM 1776 O ALA A 874 -12.651 -0.175 -3.376 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.502 0.629 -2.879 1.00 0.00 C ATOM 0 H ALA A 874 -8.901 -1.441 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.080 0.314 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.994 1.471 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.817 1.001 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.945 0.055 -3.620 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.201 -1.771 -4.007 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.082 -2.326 -5.025 1.00 0.00 C ATOM 1785 C LYS A 875 -13.258 -3.064 -4.387 1.00 0.00 C ATOM 1786 O LYS A 875 -14.410 -2.875 -4.775 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.308 -3.290 -5.931 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.523 -2.607 -7.039 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.252 -3.378 -7.373 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.479 -4.379 -8.494 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.400 -5.785 -8.018 1.00 0.00 N ATOM 0 H LYS A 875 -10.302 -2.245 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.467 -1.498 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.620 -3.873 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.010 -3.993 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.145 -2.524 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.266 -1.593 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.468 -2.679 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.900 -3.901 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -10.457 -4.204 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.737 -4.220 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.871 -6.356 -8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.914 -5.814 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.360 -6.171 -7.913 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.957 -3.902 -3.403 1.00 0.00 N ATOM 1806 CA GLY A 876 -13.975 -4.729 -2.783 1.00 0.00 C ATOM 1807 C GLY A 876 -14.968 -3.937 -1.955 1.00 0.00 C ATOM 1808 O GLY A 876 -16.107 -4.363 -1.767 1.00 0.00 O ATOM 0 H GLY A 876 -12.019 -4.024 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.512 -5.274 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.493 -5.472 -2.147 1.00 0.00 H new