USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 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= 0.638 USER MOD Set 1.2: A 867 THR OG1 : rot 64:sc= 0.352 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.674 K(o=2.6,f=-1.1!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.93 K(o=2.6,f=-4.1) USER MOD Single : A 772 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 775 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.22) USER MOD Single : A 802 THR OG1 : rot -150:sc= 0.0457 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 73:sc= 0.856 USER MOD Single : A 809 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 814 SER OG : rot 75:sc= 0.868 USER MOD Single : A 815 SER OG : rot -87:sc= -2.68! USER MOD Single : A 816 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 822 MET CE :methyl 167:sc= -0.254 (180deg=-1.01) USER MOD Single : A 831 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 834 SER OG : rot 90:sc= 0.107 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+ 145:sc= 1.27 (180deg=0.996) USER MOD Single : A 870 MET CE :methyl 163:sc= -2.27 (180deg=-3.32!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.174 -2.809 6.005 1.00 0.00 N ATOM 221 CA GLY A 766 -11.394 -3.310 4.891 1.00 0.00 C ATOM 222 C GLY A 766 -10.332 -2.330 4.442 1.00 0.00 C ATOM 223 O GLY A 766 -9.138 -2.614 4.535 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.920 -4.249 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.059 -3.529 4.055 1.00 0.00 H new ATOM 227 N VAL A 767 -10.770 -1.167 3.975 1.00 0.00 N ATOM 228 CA VAL A 767 -9.859 -0.158 3.452 1.00 0.00 C ATOM 229 C VAL A 767 -8.987 0.400 4.561 1.00 0.00 C ATOM 230 O VAL A 767 -7.783 0.546 4.395 1.00 0.00 O ATOM 231 CB VAL A 767 -10.611 1.010 2.784 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.696 1.756 1.829 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.853 0.516 2.063 1.00 0.00 C ATOM 0 H VAL A 767 -11.754 -0.899 3.948 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.243 -0.653 2.701 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.929 1.700 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.244 2.577 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.843 2.153 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.344 1.074 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.365 1.360 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.566 -0.201 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.521 0.034 2.777 1.00 0.00 H new ATOM 243 N GLY A 768 -9.607 0.697 5.694 1.00 0.00 N ATOM 244 CA GLY A 768 -8.885 1.268 6.814 1.00 0.00 C ATOM 245 C GLY A 768 -7.715 0.412 7.251 1.00 0.00 C ATOM 246 O GLY A 768 -6.593 0.905 7.373 1.00 0.00 O ATOM 0 H GLY A 768 -10.603 0.552 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.523 2.259 6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.568 1.398 7.653 1.00 0.00 H new ATOM 250 N ALA A 769 -7.966 -0.873 7.470 1.00 0.00 N ATOM 251 CA ALA A 769 -6.919 -1.789 7.902 1.00 0.00 C ATOM 252 C ALA A 769 -5.865 -1.956 6.817 1.00 0.00 C ATOM 253 O ALA A 769 -4.669 -1.915 7.096 1.00 0.00 O ATOM 254 CB ALA A 769 -7.511 -3.137 8.280 1.00 0.00 C ATOM 0 H ALA A 769 -8.884 -1.303 7.356 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.438 -1.363 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.714 -3.808 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.224 -3.006 9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.021 -3.565 7.417 1.00 0.00 H new ATOM 260 N ALA A 770 -6.316 -2.123 5.579 1.00 0.00 N ATOM 261 CA ALA A 770 -5.410 -2.319 4.456 1.00 0.00 C ATOM 262 C ALA A 770 -4.539 -1.088 4.228 1.00 0.00 C ATOM 263 O ALA A 770 -3.328 -1.198 4.038 1.00 0.00 O ATOM 264 CB ALA A 770 -6.197 -2.657 3.199 1.00 0.00 C ATOM 0 H ALA A 770 -7.305 -2.126 5.329 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.751 -3.154 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.508 -2.801 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.767 -3.572 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.881 -1.840 2.967 1.00 0.00 H new ATOM 270 N ALA A 771 -5.161 0.084 4.264 1.00 0.00 N ATOM 271 CA ALA A 771 -4.451 1.341 4.072 1.00 0.00 C ATOM 272 C ALA A 771 -3.424 1.561 5.180 1.00 0.00 C ATOM 273 O ALA A 771 -2.278 1.933 4.917 1.00 0.00 O ATOM 274 CB ALA A 771 -5.437 2.497 4.015 1.00 0.00 C ATOM 0 H ALA A 771 -6.163 0.189 4.426 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.915 1.293 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.894 3.431 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.127 2.346 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.998 2.543 4.948 1.00 0.00 H new ATOM 280 N THR A 772 -3.836 1.318 6.417 1.00 0.00 N ATOM 281 CA THR A 772 -2.938 1.440 7.555 1.00 0.00 C ATOM 282 C THR A 772 -1.808 0.413 7.460 1.00 0.00 C ATOM 283 O THR A 772 -0.668 0.699 7.825 1.00 0.00 O ATOM 284 CB THR A 772 -3.697 1.275 8.889 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.846 2.134 8.903 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.802 1.604 10.076 1.00 0.00 C ATOM 0 H THR A 772 -4.786 1.035 6.657 1.00 0.00 H new ATOM 0 HA THR A 772 -2.508 2.441 7.532 1.00 0.00 H new ATOM 0 HB THR A 772 -4.011 0.235 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.636 1.629 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.364 1.479 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.942 0.934 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.458 2.635 9.997 1.00 0.00 H new ATOM 294 N ALA A 773 -2.127 -0.772 6.947 1.00 0.00 N ATOM 295 CA ALA A 773 -1.127 -1.813 6.743 1.00 0.00 C ATOM 296 C ALA A 773 -0.057 -1.353 5.758 1.00 0.00 C ATOM 297 O ALA A 773 1.137 -1.531 6.004 1.00 0.00 O ATOM 298 CB ALA A 773 -1.782 -3.096 6.255 1.00 0.00 C ATOM 0 H ALA A 773 -3.071 -1.034 6.665 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.646 -2.012 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -1.019 -3.861 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.504 -3.440 6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.293 -2.907 5.311 1.00 0.00 H new ATOM 304 N VAL A 774 -0.488 -0.757 4.649 1.00 0.00 N ATOM 305 CA VAL A 774 0.439 -0.216 3.660 1.00 0.00 C ATOM 306 C VAL A 774 1.302 0.876 4.281 1.00 0.00 C ATOM 307 O VAL A 774 2.525 0.865 4.147 1.00 0.00 O ATOM 308 CB VAL A 774 -0.303 0.361 2.434 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.673 0.997 1.453 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.109 -0.724 1.748 1.00 0.00 C ATOM 0 H VAL A 774 -1.473 -0.637 4.413 1.00 0.00 H new ATOM 0 HA VAL A 774 1.069 -1.041 3.326 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.984 1.137 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.124 1.395 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.211 1.806 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.384 0.246 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.626 -0.303 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.441 -1.519 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.840 -1.131 2.447 1.00 0.00 H new ATOM 320 N THR A 775 0.656 1.803 4.975 1.00 0.00 N ATOM 321 CA THR A 775 1.359 2.895 5.636 1.00 0.00 C ATOM 322 C THR A 775 2.381 2.365 6.645 1.00 0.00 C ATOM 323 O THR A 775 3.501 2.866 6.724 1.00 0.00 O ATOM 324 CB THR A 775 0.370 3.838 6.348 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.713 4.165 5.466 1.00 0.00 O ATOM 326 CG2 THR A 775 1.060 5.118 6.798 1.00 0.00 C ATOM 0 H THR A 775 -0.357 1.821 5.095 1.00 0.00 H new ATOM 0 HA THR A 775 1.887 3.454 4.864 1.00 0.00 H new ATOM 0 HB THR A 775 -0.013 3.323 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.334 3.408 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.338 5.764 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.866 4.873 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.470 5.635 5.930 1.00 0.00 H new ATOM 334 N GLN A 776 1.996 1.338 7.396 1.00 0.00 N ATOM 335 CA GLN A 776 2.881 0.740 8.387 1.00 0.00 C ATOM 336 C GLN A 776 4.037 0.013 7.711 1.00 0.00 C ATOM 337 O GLN A 776 5.181 0.113 8.149 1.00 0.00 O ATOM 338 CB GLN A 776 2.105 -0.224 9.281 1.00 0.00 C ATOM 339 CG GLN A 776 1.394 0.463 10.434 1.00 0.00 C ATOM 340 CD GLN A 776 0.888 -0.519 11.466 1.00 0.00 C ATOM 341 OE1 GLN A 776 1.468 -0.656 12.543 1.00 0.00 O ATOM 342 NE2 GLN A 776 -0.197 -1.204 11.147 1.00 0.00 N ATOM 0 H GLN A 776 1.075 0.903 7.336 1.00 0.00 H new ATOM 0 HA GLN A 776 3.290 1.540 9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.371 -0.757 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.792 -0.970 9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.076 1.167 10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.556 1.043 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.645 -1.058 10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -0.586 -1.879 11.806 1.00 0.00 H new ATOM 351 N ALA A 777 3.734 -0.712 6.639 1.00 0.00 N ATOM 352 CA ALA A 777 4.759 -1.408 5.871 1.00 0.00 C ATOM 353 C ALA A 777 5.748 -0.410 5.284 1.00 0.00 C ATOM 354 O ALA A 777 6.960 -0.632 5.296 1.00 0.00 O ATOM 355 CB ALA A 777 4.122 -2.239 4.766 1.00 0.00 C ATOM 0 H ALA A 777 2.786 -0.833 6.283 1.00 0.00 H new ATOM 0 HA ALA A 777 5.299 -2.079 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.901 -2.752 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.448 -2.974 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.560 -1.586 4.098 1.00 0.00 H new ATOM 361 N LEU A 778 5.219 0.697 4.785 1.00 0.00 N ATOM 362 CA LEU A 778 6.039 1.764 4.236 1.00 0.00 C ATOM 363 C LEU A 778 6.887 2.401 5.327 1.00 0.00 C ATOM 364 O LEU A 778 8.081 2.621 5.144 1.00 0.00 O ATOM 365 CB LEU A 778 5.157 2.822 3.579 1.00 0.00 C ATOM 366 CG LEU A 778 5.884 3.751 2.613 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.990 3.106 1.242 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.167 5.086 2.525 1.00 0.00 C ATOM 0 H LEU A 778 4.216 0.880 4.750 1.00 0.00 H new ATOM 0 HA LEU A 778 6.701 1.336 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.352 2.321 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.693 3.424 4.360 1.00 0.00 H new ATOM 0 HG LEU A 778 6.892 3.928 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.511 3.780 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.544 2.171 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.991 2.904 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.697 5.739 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.149 4.929 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.139 5.550 3.511 1.00 0.00 H new ATOM 380 N ASN A 779 6.259 2.687 6.463 1.00 0.00 N ATOM 381 CA ASN A 779 6.954 3.265 7.612 1.00 0.00 C ATOM 382 C ASN A 779 8.077 2.345 8.075 1.00 0.00 C ATOM 383 O ASN A 779 9.157 2.802 8.458 1.00 0.00 O ATOM 384 CB ASN A 779 5.973 3.498 8.764 1.00 0.00 C ATOM 385 CG ASN A 779 6.034 4.912 9.305 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.105 5.511 9.399 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.882 5.449 9.673 1.00 0.00 N ATOM 0 H ASN A 779 5.263 2.527 6.615 1.00 0.00 H new ATOM 0 HA ASN A 779 7.382 4.220 7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 779 4.960 3.287 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.190 2.795 9.569 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.859 6.396 10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.017 4.916 9.578 1.00 0.00 H new ATOM 394 N GLU A 780 7.804 1.046 8.032 1.00 0.00 N ATOM 395 CA GLU A 780 8.781 0.025 8.378 1.00 0.00 C ATOM 396 C GLU A 780 10.015 0.135 7.487 1.00 0.00 C ATOM 397 O GLU A 780 11.147 0.210 7.972 1.00 0.00 O ATOM 398 CB GLU A 780 8.142 -1.363 8.228 1.00 0.00 C ATOM 399 CG GLU A 780 9.141 -2.509 8.171 1.00 0.00 C ATOM 400 CD GLU A 780 9.629 -2.932 9.538 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.861 -2.814 10.516 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.789 -3.384 9.644 1.00 0.00 O ATOM 0 H GLU A 780 6.896 0.672 7.755 1.00 0.00 H new ATOM 0 HA GLU A 780 9.095 0.171 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.463 -1.530 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.539 -1.376 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.679 -3.363 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 780 9.995 -2.211 7.562 1.00 0.00 H new ATOM 409 N LEU A 781 9.782 0.160 6.184 1.00 0.00 N ATOM 410 CA LEU A 781 10.861 0.183 5.211 1.00 0.00 C ATOM 411 C LEU A 781 11.561 1.539 5.181 1.00 0.00 C ATOM 412 O LEU A 781 12.785 1.603 5.096 1.00 0.00 O ATOM 413 CB LEU A 781 10.320 -0.155 3.824 1.00 0.00 C ATOM 414 CG LEU A 781 11.351 -0.089 2.702 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.774 -1.487 2.288 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.791 0.684 1.519 1.00 0.00 C ATOM 0 H LEU A 781 8.848 0.165 5.775 1.00 0.00 H new ATOM 0 HA LEU A 781 11.595 -0.566 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.895 -1.159 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.505 0.530 3.590 1.00 0.00 H new ATOM 0 HG LEU A 781 12.234 0.436 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.510 -1.422 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 781 12.213 -2.002 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.904 -2.042 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.536 0.724 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.894 0.186 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.540 1.697 1.832 1.00 0.00 H new ATOM 428 N LEU A 782 10.780 2.613 5.258 1.00 0.00 N ATOM 429 CA LEU A 782 11.315 3.970 5.176 1.00 0.00 C ATOM 430 C LEU A 782 12.427 4.195 6.193 1.00 0.00 C ATOM 431 O LEU A 782 13.531 4.611 5.838 1.00 0.00 O ATOM 432 CB LEU A 782 10.202 4.998 5.396 1.00 0.00 C ATOM 433 CG LEU A 782 9.752 5.746 4.141 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.629 6.716 4.474 1.00 0.00 C ATOM 435 CD2 LEU A 782 10.926 6.482 3.509 1.00 0.00 C ATOM 0 H LEU A 782 9.768 2.569 5.378 1.00 0.00 H new ATOM 0 HA LEU A 782 11.733 4.096 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.339 4.490 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.542 5.727 6.132 1.00 0.00 H new ATOM 0 HG LEU A 782 9.376 5.019 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.321 7.240 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.781 6.165 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 782 8.979 7.439 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.587 7.009 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.332 7.200 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.700 5.765 3.235 1.00 0.00 H new ATOM 701 N ALA A 801 9.133 7.518 -4.403 1.00 0.00 N ATOM 702 CA ALA A 801 8.178 6.424 -4.452 1.00 0.00 C ATOM 703 C ALA A 801 7.418 6.313 -3.135 1.00 0.00 C ATOM 704 O ALA A 801 6.188 6.235 -3.125 1.00 0.00 O ATOM 705 CB ALA A 801 8.885 5.119 -4.773 1.00 0.00 C ATOM 0 HA ALA A 801 7.458 6.631 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.156 4.309 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.380 5.202 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.627 4.908 -4.003 1.00 0.00 H new ATOM 711 N THR A 802 8.154 6.333 -2.028 1.00 0.00 N ATOM 712 CA THR A 802 7.555 6.210 -0.708 1.00 0.00 C ATOM 713 C THR A 802 6.622 7.385 -0.421 1.00 0.00 C ATOM 714 O THR A 802 5.526 7.209 0.120 1.00 0.00 O ATOM 715 CB THR A 802 8.640 6.138 0.382 1.00 0.00 C ATOM 716 OG1 THR A 802 9.767 6.931 -0.003 1.00 0.00 O ATOM 717 CG2 THR A 802 9.091 4.702 0.607 1.00 0.00 C ATOM 0 H THR A 802 9.169 6.434 -2.022 1.00 0.00 H new ATOM 0 HA THR A 802 6.976 5.286 -0.695 1.00 0.00 H new ATOM 0 HB THR A 802 8.216 6.521 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.583 6.547 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.858 4.679 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.240 4.098 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.499 4.299 -0.320 1.00 0.00 H new ATOM 725 N ASP A 803 7.061 8.579 -0.805 1.00 0.00 N ATOM 726 CA ASP A 803 6.260 9.786 -0.641 1.00 0.00 C ATOM 727 C ASP A 803 4.937 9.653 -1.382 1.00 0.00 C ATOM 728 O ASP A 803 3.874 9.956 -0.835 1.00 0.00 O ATOM 729 CB ASP A 803 7.026 11.004 -1.163 1.00 0.00 C ATOM 730 CG ASP A 803 6.620 12.288 -0.473 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.515 12.793 -0.747 1.00 0.00 O ATOM 732 OD2 ASP A 803 7.413 12.807 0.343 1.00 0.00 O ATOM 0 H ASP A 803 7.973 8.737 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 803 6.056 9.921 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.095 10.843 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.856 11.103 -2.235 1.00 0.00 H new ATOM 737 N THR A 804 5.011 9.179 -2.622 1.00 0.00 N ATOM 738 CA THR A 804 3.828 8.982 -3.446 1.00 0.00 C ATOM 739 C THR A 804 2.859 8.001 -2.791 1.00 0.00 C ATOM 740 O THR A 804 1.662 8.273 -2.700 1.00 0.00 O ATOM 741 CB THR A 804 4.212 8.473 -4.851 1.00 0.00 C ATOM 742 OG1 THR A 804 5.089 9.419 -5.480 1.00 0.00 O ATOM 743 CG2 THR A 804 2.979 8.260 -5.719 1.00 0.00 C ATOM 0 H THR A 804 5.886 8.923 -3.079 1.00 0.00 H new ATOM 0 HA THR A 804 3.335 9.949 -3.544 1.00 0.00 H new ATOM 0 HB THR A 804 4.718 7.514 -4.741 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.334 9.095 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.284 7.901 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.327 7.523 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.443 9.203 -5.827 1.00 0.00 H new ATOM 751 N ILE A 805 3.384 6.874 -2.317 1.00 0.00 N ATOM 752 CA ILE A 805 2.563 5.872 -1.648 1.00 0.00 C ATOM 753 C ILE A 805 1.847 6.481 -0.450 1.00 0.00 C ATOM 754 O ILE A 805 0.632 6.341 -0.308 1.00 0.00 O ATOM 755 CB ILE A 805 3.409 4.668 -1.183 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.778 3.795 -2.377 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.670 3.842 -0.135 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.193 3.281 -2.317 1.00 0.00 C ATOM 0 H ILE A 805 4.373 6.633 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 805 1.827 5.519 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 805 4.320 5.053 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.092 2.949 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.644 4.369 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.293 3.002 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.450 4.466 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.738 3.467 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.394 2.667 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.885 4.123 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.324 2.681 -1.416 1.00 0.00 H new ATOM 770 N LEU A 806 2.604 7.163 0.401 1.00 0.00 N ATOM 771 CA LEU A 806 2.027 7.820 1.570 1.00 0.00 C ATOM 772 C LEU A 806 0.924 8.782 1.160 1.00 0.00 C ATOM 773 O LEU A 806 -0.168 8.741 1.714 1.00 0.00 O ATOM 774 CB LEU A 806 3.088 8.572 2.368 1.00 0.00 C ATOM 775 CG LEU A 806 3.430 7.956 3.727 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.460 8.800 4.459 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.172 7.807 4.570 1.00 0.00 C ATOM 0 H LEU A 806 3.613 7.276 0.306 1.00 0.00 H new ATOM 0 HA LEU A 806 1.605 7.039 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.999 8.628 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.746 9.595 2.525 1.00 0.00 H new ATOM 0 HG LEU A 806 3.858 6.968 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.687 8.343 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.370 8.861 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.062 9.802 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.430 7.368 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.721 8.787 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.463 7.160 4.054 1.00 0.00 H new ATOM 789 N THR A 807 1.210 9.634 0.184 1.00 0.00 N ATOM 790 CA THR A 807 0.226 10.593 -0.299 1.00 0.00 C ATOM 791 C THR A 807 -1.026 9.878 -0.798 1.00 0.00 C ATOM 792 O THR A 807 -2.138 10.244 -0.436 1.00 0.00 O ATOM 793 CB THR A 807 0.805 11.469 -1.428 1.00 0.00 C ATOM 794 OG1 THR A 807 2.000 12.116 -0.974 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.200 12.518 -1.887 1.00 0.00 C ATOM 0 H THR A 807 2.113 9.680 -0.288 1.00 0.00 H new ATOM 0 HA THR A 807 -0.040 11.237 0.539 1.00 0.00 H new ATOM 0 HB THR A 807 1.033 10.821 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.726 11.460 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.239 13.119 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.098 12.024 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.461 13.163 -1.048 1.00 0.00 H new ATOM 803 N VAL A 808 -0.830 8.840 -1.601 1.00 0.00 N ATOM 804 CA VAL A 808 -1.936 8.085 -2.173 1.00 0.00 C ATOM 805 C VAL A 808 -2.781 7.423 -1.079 1.00 0.00 C ATOM 806 O VAL A 808 -4.000 7.589 -1.038 1.00 0.00 O ATOM 807 CB VAL A 808 -1.420 7.015 -3.162 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.465 5.940 -3.403 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.010 7.660 -4.478 1.00 0.00 C ATOM 0 H VAL A 808 0.093 8.500 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.566 8.789 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.546 6.541 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.073 5.202 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.709 5.452 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.364 6.394 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.649 6.892 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.870 8.165 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.217 8.386 -4.296 1.00 0.00 H new ATOM 819 N THR A 809 -2.126 6.690 -0.186 1.00 0.00 N ATOM 820 CA THR A 809 -2.825 5.995 0.890 1.00 0.00 C ATOM 821 C THR A 809 -3.511 6.990 1.826 1.00 0.00 C ATOM 822 O THR A 809 -4.661 6.797 2.227 1.00 0.00 O ATOM 823 CB THR A 809 -1.862 5.105 1.698 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.892 4.515 0.823 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.619 4.008 2.424 1.00 0.00 C ATOM 0 H THR A 809 -1.114 6.561 -0.185 1.00 0.00 H new ATOM 0 HA THR A 809 -3.582 5.361 0.429 1.00 0.00 H new ATOM 0 HB THR A 809 -1.359 5.730 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.123 5.116 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.917 3.393 2.987 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.340 4.455 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.144 3.387 1.698 1.00 0.00 H new ATOM 833 N GLU A 810 -2.804 8.066 2.144 1.00 0.00 N ATOM 834 CA GLU A 810 -3.335 9.115 3.000 1.00 0.00 C ATOM 835 C GLU A 810 -4.475 9.858 2.287 1.00 0.00 C ATOM 836 O GLU A 810 -5.394 10.378 2.925 1.00 0.00 O ATOM 837 CB GLU A 810 -2.202 10.065 3.411 1.00 0.00 C ATOM 838 CG GLU A 810 -2.591 11.077 4.475 1.00 0.00 C ATOM 839 CD GLU A 810 -2.138 10.656 5.861 1.00 0.00 C ATOM 840 OE1 GLU A 810 -0.920 10.455 6.060 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.995 10.525 6.760 1.00 0.00 O ATOM 0 H GLU A 810 -1.852 8.235 1.818 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.752 8.675 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.363 9.474 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.853 10.600 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.154 12.045 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.673 11.206 4.472 1.00 0.00 H new ATOM 848 N ASN A 811 -4.417 9.883 0.954 1.00 0.00 N ATOM 849 CA ASN A 811 -5.498 10.438 0.139 1.00 0.00 C ATOM 850 C ASN A 811 -6.762 9.612 0.312 1.00 0.00 C ATOM 851 O ASN A 811 -7.848 10.157 0.471 1.00 0.00 O ATOM 852 CB ASN A 811 -5.123 10.457 -1.349 1.00 0.00 C ATOM 853 CG ASN A 811 -4.424 11.731 -1.775 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.436 12.735 -1.063 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.805 11.695 -2.944 1.00 0.00 N ATOM 0 H ASN A 811 -3.629 9.524 0.415 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.668 11.461 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.476 9.607 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.026 10.330 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.313 12.520 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.820 10.842 -3.503 1.00 0.00 H new ATOM 862 N ILE A 812 -6.611 8.290 0.284 1.00 0.00 N ATOM 863 CA ILE A 812 -7.747 7.385 0.445 1.00 0.00 C ATOM 864 C ILE A 812 -8.358 7.535 1.837 1.00 0.00 C ATOM 865 O ILE A 812 -9.573 7.465 2.000 1.00 0.00 O ATOM 866 CB ILE A 812 -7.349 5.907 0.198 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.090 5.665 -1.290 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.428 4.954 0.702 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.765 4.992 -1.574 1.00 0.00 C ATOM 0 H ILE A 812 -5.715 7.822 0.152 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.488 7.661 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.433 5.711 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.894 5.050 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.123 6.619 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -8.121 3.925 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.572 5.101 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.363 5.154 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.651 4.853 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.953 5.615 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.736 4.022 -1.078 1.00 0.00 H new ATOM 881 N PHE A 813 -7.514 7.767 2.835 1.00 0.00 N ATOM 882 CA PHE A 813 -7.992 8.030 4.191 1.00 0.00 C ATOM 883 C PHE A 813 -8.891 9.263 4.200 1.00 0.00 C ATOM 884 O PHE A 813 -9.825 9.368 4.998 1.00 0.00 O ATOM 885 CB PHE A 813 -6.813 8.242 5.141 1.00 0.00 C ATOM 886 CG PHE A 813 -6.220 6.965 5.661 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.035 5.960 6.157 1.00 0.00 C ATOM 888 CD2 PHE A 813 -4.850 6.770 5.651 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.492 4.785 6.637 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.301 5.597 6.130 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.123 4.604 6.622 1.00 0.00 C ATOM 0 H PHE A 813 -6.499 7.779 2.734 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.565 7.167 4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.038 8.808 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.142 8.849 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.106 6.097 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.203 7.544 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.136 4.009 7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.230 5.457 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.696 3.685 6.995 1.00 0.00 H new ATOM 901 N SER A 814 -8.610 10.176 3.284 1.00 0.00 N ATOM 902 CA SER A 814 -9.348 11.421 3.171 1.00 0.00 C ATOM 903 C SER A 814 -10.426 11.333 2.085 1.00 0.00 C ATOM 904 O SER A 814 -11.089 12.322 1.775 1.00 0.00 O ATOM 905 CB SER A 814 -8.369 12.556 2.862 1.00 0.00 C ATOM 906 OG SER A 814 -7.206 12.462 3.679 1.00 0.00 O ATOM 0 H SER A 814 -7.863 10.073 2.598 1.00 0.00 H new ATOM 0 HA SER A 814 -9.853 11.618 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.083 12.519 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.857 13.517 3.026 1.00 0.00 H new ATOM 0 HG SER A 814 -6.633 11.739 3.350 1.00 0.00 H new ATOM 912 N SER A 815 -10.601 10.145 1.514 1.00 0.00 N ATOM 913 CA SER A 815 -11.572 9.951 0.444 1.00 0.00 C ATOM 914 C SER A 815 -12.384 8.678 0.666 1.00 0.00 C ATOM 915 O SER A 815 -13.099 8.225 -0.230 1.00 0.00 O ATOM 916 CB SER A 815 -10.852 9.879 -0.906 1.00 0.00 C ATOM 917 OG SER A 815 -9.859 8.873 -0.899 1.00 0.00 O ATOM 0 H SER A 815 -10.084 9.305 1.774 1.00 0.00 H new ATOM 0 HA SER A 815 -12.257 10.799 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.574 9.676 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.396 10.843 -1.131 1.00 0.00 H new ATOM 0 HG SER A 815 -9.018 9.246 -0.562 1.00 0.00 H new ATOM 923 N MET A 816 -12.282 8.117 1.868 1.00 0.00 N ATOM 924 CA MET A 816 -12.911 6.839 2.179 1.00 0.00 C ATOM 925 C MET A 816 -14.424 6.950 2.105 1.00 0.00 C ATOM 926 O MET A 816 -15.076 7.477 3.010 1.00 0.00 O ATOM 927 CB MET A 816 -12.480 6.348 3.560 1.00 0.00 C ATOM 928 CG MET A 816 -11.844 4.971 3.527 1.00 0.00 C ATOM 929 SD MET A 816 -12.090 4.053 5.058 1.00 0.00 S ATOM 930 CE MET A 816 -10.491 4.271 5.828 1.00 0.00 C ATOM 0 H MET A 816 -11.767 8.531 2.645 1.00 0.00 H new ATOM 0 HA MET A 816 -12.584 6.112 1.436 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.773 7.059 3.988 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.348 6.326 4.219 1.00 0.00 H new ATOM 0 HG2 MET A 816 -12.262 4.402 2.696 1.00 0.00 H new ATOM 0 HG3 MET A 816 -10.775 5.073 3.338 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.478 3.760 6.791 1.00 0.00 H new ATOM 0 HE2 MET A 816 -9.717 3.852 5.184 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.302 5.334 5.979 1.00 0.00 H new ATOM 940 N GLY A 817 -14.965 6.457 1.012 1.00 0.00 N ATOM 941 CA GLY A 817 -16.379 6.561 0.755 1.00 0.00 C ATOM 942 C GLY A 817 -16.627 6.810 -0.710 1.00 0.00 C ATOM 943 O GLY A 817 -17.537 6.229 -1.308 1.00 0.00 O ATOM 0 H GLY A 817 -14.438 5.976 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.880 5.644 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.804 7.372 1.346 1.00 0.00 H new ATOM 947 N ASP A 818 -15.788 7.651 -1.300 1.00 0.00 N ATOM 948 CA ASP A 818 -15.866 7.925 -2.723 1.00 0.00 C ATOM 949 C ASP A 818 -15.131 6.847 -3.491 1.00 0.00 C ATOM 950 O ASP A 818 -13.904 6.776 -3.466 1.00 0.00 O ATOM 951 CB ASP A 818 -15.276 9.290 -3.069 1.00 0.00 C ATOM 952 CG ASP A 818 -15.412 9.592 -4.546 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.552 9.803 -5.005 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.389 9.603 -5.258 1.00 0.00 O ATOM 0 H ASP A 818 -15.046 8.154 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.919 7.933 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.780 10.063 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.224 9.315 -2.786 1.00 0.00 H new ATOM 959 N ALA A 819 -15.895 6.013 -4.167 1.00 0.00 N ATOM 960 CA ALA A 819 -15.347 4.872 -4.875 1.00 0.00 C ATOM 961 C ALA A 819 -14.384 5.302 -5.973 1.00 0.00 C ATOM 962 O ALA A 819 -13.325 4.701 -6.150 1.00 0.00 O ATOM 963 CB ALA A 819 -16.478 4.059 -5.469 1.00 0.00 C ATOM 0 H ALA A 819 -16.908 6.105 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.787 4.266 -4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.068 3.201 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.134 3.711 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.047 4.679 -6.162 1.00 0.00 H new ATOM 969 N GLY A 820 -14.754 6.355 -6.690 1.00 0.00 N ATOM 970 CA GLY A 820 -13.988 6.771 -7.846 1.00 0.00 C ATOM 971 C GLY A 820 -12.567 7.185 -7.509 1.00 0.00 C ATOM 972 O GLY A 820 -11.614 6.660 -8.089 1.00 0.00 O ATOM 0 H GLY A 820 -15.573 6.929 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.959 5.954 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.497 7.605 -8.329 1.00 0.00 H new ATOM 976 N GLU A 821 -12.417 8.118 -6.572 1.00 0.00 N ATOM 977 CA GLU A 821 -11.093 8.597 -6.184 1.00 0.00 C ATOM 978 C GLU A 821 -10.320 7.504 -5.456 1.00 0.00 C ATOM 979 O GLU A 821 -9.113 7.357 -5.643 1.00 0.00 O ATOM 980 CB GLU A 821 -11.207 9.843 -5.298 1.00 0.00 C ATOM 981 CG GLU A 821 -9.867 10.490 -4.971 1.00 0.00 C ATOM 982 CD GLU A 821 -9.242 11.185 -6.165 1.00 0.00 C ATOM 983 OE1 GLU A 821 -9.711 12.277 -6.535 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.274 10.647 -6.742 1.00 0.00 O ATOM 0 H GLU A 821 -13.190 8.555 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.550 8.864 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -11.841 10.575 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.705 9.571 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.005 11.213 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.182 9.728 -4.601 1.00 0.00 H new ATOM 991 N MET A 822 -11.023 6.725 -4.642 1.00 0.00 N ATOM 992 CA MET A 822 -10.397 5.647 -3.885 1.00 0.00 C ATOM 993 C MET A 822 -9.773 4.618 -4.823 1.00 0.00 C ATOM 994 O MET A 822 -8.619 4.226 -4.650 1.00 0.00 O ATOM 995 CB MET A 822 -11.417 4.967 -2.974 1.00 0.00 C ATOM 996 CG MET A 822 -11.453 5.538 -1.564 1.00 0.00 C ATOM 997 SD MET A 822 -12.769 4.825 -0.557 1.00 0.00 S ATOM 998 CE MET A 822 -12.694 3.118 -1.081 1.00 0.00 C ATOM 0 H MET A 822 -12.027 6.820 -4.489 1.00 0.00 H new ATOM 0 HA MET A 822 -9.609 6.082 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.408 5.059 -3.419 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.190 3.902 -2.920 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.493 5.359 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.587 6.618 -1.617 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.277 2.501 -0.397 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.102 3.028 -2.088 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.657 2.782 -1.079 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.542 4.190 -5.821 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.043 3.251 -6.819 1.00 0.00 C ATOM 1010 C VAL A 823 -8.924 3.896 -7.632 1.00 0.00 C ATOM 1011 O VAL A 823 -7.921 3.251 -7.943 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.174 2.767 -7.761 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.614 2.112 -9.019 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.093 1.805 -7.028 1.00 0.00 C ATOM 0 H VAL A 823 -11.511 4.478 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.652 2.381 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.747 3.641 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.436 1.785 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.999 2.831 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.006 1.251 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.883 1.473 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.520 0.943 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.536 2.309 -6.169 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.103 5.177 -7.948 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.106 5.950 -8.682 1.00 0.00 C ATOM 1026 C ARG A 824 -6.756 5.896 -7.975 1.00 0.00 C ATOM 1027 O ARG A 824 -5.760 5.459 -8.553 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.566 7.404 -8.822 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.489 8.344 -9.338 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.083 9.452 -10.185 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.866 10.394 -9.388 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.843 11.152 -9.882 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -10.214 11.017 -11.150 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -10.466 12.025 -9.099 1.00 0.00 N ATOM 0 H ARG A 824 -9.940 5.706 -7.703 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.995 5.514 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.421 7.441 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.911 7.761 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.948 8.777 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.765 7.782 -9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.282 9.987 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -8.717 9.017 -10.957 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.651 10.476 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.750 10.332 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -10.963 11.598 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -10.196 12.115 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -11.214 12.606 -9.477 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.733 6.320 -6.717 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.506 6.320 -5.941 1.00 0.00 C ATOM 1050 C GLN A 825 -4.965 4.902 -5.782 1.00 0.00 C ATOM 1051 O GLN A 825 -3.759 4.684 -5.843 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.740 6.963 -4.576 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.315 8.367 -4.660 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.282 9.406 -5.057 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.128 9.354 -4.628 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.693 10.363 -5.873 1.00 0.00 N ATOM 0 H GLN A 825 -7.551 6.667 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.761 6.908 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.418 6.335 -3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.796 6.997 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.130 8.378 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.742 8.637 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.657 10.370 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.046 11.094 -6.169 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.865 3.937 -5.610 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.470 2.538 -5.463 1.00 0.00 C ATOM 1067 C ALA A 826 -4.663 2.057 -6.670 1.00 0.00 C ATOM 1068 O ALA A 826 -3.756 1.232 -6.533 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.692 1.658 -5.249 1.00 0.00 C ATOM 0 H ALA A 826 -6.871 4.097 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.829 2.462 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.378 0.620 -5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.215 1.974 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.360 1.748 -6.106 1.00 0.00 H new ATOM 1075 N ARG A 827 -4.986 2.576 -7.852 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.240 2.236 -9.060 1.00 0.00 C ATOM 1077 C ARG A 827 -2.815 2.765 -8.959 1.00 0.00 C ATOM 1078 O ARG A 827 -1.849 2.048 -9.234 1.00 0.00 O ATOM 1079 CB ARG A 827 -4.903 2.824 -10.306 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.300 2.298 -10.584 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.230 3.422 -11.010 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.291 2.970 -11.906 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.982 3.787 -12.700 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.680 5.078 -12.758 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.968 3.313 -13.448 1.00 0.00 N ATOM 0 H ARG A 827 -5.755 3.230 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.230 1.150 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -4.951 3.908 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.272 2.617 -11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.258 1.540 -11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.695 1.813 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.677 3.873 -10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.649 4.200 -11.506 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.515 1.975 -11.925 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -7.916 5.449 -12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -9.212 5.699 -13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -10.200 2.320 -13.417 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -10.495 3.941 -14.055 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.698 4.023 -8.547 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.400 4.670 -8.401 1.00 0.00 C ATOM 1101 C ILE A 828 -0.595 4.019 -7.280 1.00 0.00 C ATOM 1102 O ILE A 828 0.619 3.859 -7.387 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.551 6.182 -8.120 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.534 6.812 -9.113 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.199 6.881 -8.195 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.436 7.863 -8.499 1.00 0.00 C ATOM 0 H ILE A 828 -3.492 4.617 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 828 -0.868 4.545 -9.344 1.00 0.00 H new ATOM 0 HB ILE A 828 -1.945 6.307 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -1.971 7.263 -9.930 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.151 6.025 -9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.328 7.945 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.475 6.451 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.224 6.748 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.103 8.262 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.027 7.414 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.828 8.670 -8.090 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.286 3.631 -6.213 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.662 2.947 -5.086 1.00 0.00 C ATOM 1120 C LEU A 829 0.041 1.680 -5.555 1.00 0.00 C ATOM 1121 O LEU A 829 1.208 1.453 -5.244 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.719 2.598 -4.031 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.184 2.070 -2.694 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.061 2.836 -2.267 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.258 2.162 -1.620 1.00 0.00 C ATOM 0 H LEU A 829 -2.289 3.781 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 829 0.078 3.614 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.316 3.489 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.391 1.850 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.911 1.023 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.422 2.443 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.836 2.721 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.183 3.892 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.863 1.784 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.560 3.202 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.121 1.566 -1.917 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.673 0.877 -6.335 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.124 -0.364 -6.855 1.00 0.00 C ATOM 1139 C ALA A 830 1.081 -0.091 -7.745 1.00 0.00 C ATOM 1140 O ALA A 830 2.086 -0.793 -7.676 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.189 -1.130 -7.622 1.00 0.00 C ATOM 0 H ALA A 830 -1.634 1.066 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 830 0.207 -0.973 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.764 -2.058 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.022 -1.360 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.546 -0.523 -8.454 1.00 0.00 H new ATOM 1147 N GLN A 831 0.979 0.951 -8.560 1.00 0.00 N ATOM 1148 CA GLN A 831 2.055 1.321 -9.470 1.00 0.00 C ATOM 1149 C GLN A 831 3.298 1.754 -8.700 1.00 0.00 C ATOM 1150 O GLN A 831 4.415 1.327 -9.006 1.00 0.00 O ATOM 1151 CB GLN A 831 1.596 2.453 -10.391 1.00 0.00 C ATOM 1152 CG GLN A 831 1.682 2.106 -11.865 1.00 0.00 C ATOM 1153 CD GLN A 831 0.521 1.246 -12.327 1.00 0.00 C ATOM 1154 OE1 GLN A 831 0.392 0.088 -11.931 1.00 0.00 O ATOM 1155 NE2 GLN A 831 -0.337 1.804 -13.165 1.00 0.00 N ATOM 0 H GLN A 831 0.160 1.556 -8.609 1.00 0.00 H new ATOM 0 HA GLN A 831 2.309 0.446 -10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.566 2.715 -10.147 1.00 0.00 H new ATOM 0 HB3 GLN A 831 2.204 3.337 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.705 3.025 -12.451 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.618 1.582 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.198 2.767 -13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.138 1.271 -13.505 1.00 0.00 H new ATOM 1164 N ALA A 832 3.094 2.592 -7.692 1.00 0.00 N ATOM 1165 CA ALA A 832 4.196 3.135 -6.915 1.00 0.00 C ATOM 1166 C ALA A 832 4.920 2.041 -6.134 1.00 0.00 C ATOM 1167 O ALA A 832 6.146 1.944 -6.189 1.00 0.00 O ATOM 1168 CB ALA A 832 3.694 4.222 -5.976 1.00 0.00 C ATOM 0 H ALA A 832 2.172 2.910 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 832 4.913 3.574 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.530 4.620 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.240 5.024 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.953 3.802 -5.296 1.00 0.00 H new ATOM 1174 N THR A 833 4.165 1.215 -5.419 1.00 0.00 N ATOM 1175 CA THR A 833 4.757 0.141 -4.633 1.00 0.00 C ATOM 1176 C THR A 833 5.423 -0.903 -5.527 1.00 0.00 C ATOM 1177 O THR A 833 6.449 -1.478 -5.159 1.00 0.00 O ATOM 1178 CB THR A 833 3.715 -0.543 -3.735 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.901 0.445 -3.093 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.397 -1.403 -2.684 1.00 0.00 C ATOM 0 H THR A 833 3.148 1.268 -5.368 1.00 0.00 H new ATOM 0 HA THR A 833 5.517 0.600 -4.000 1.00 0.00 H new ATOM 0 HB THR A 833 3.088 -1.181 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.229 0.776 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.642 -1.879 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.998 -2.169 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.041 -0.779 -2.065 1.00 0.00 H new ATOM 1188 N SER A 834 4.846 -1.140 -6.700 1.00 0.00 N ATOM 1189 CA SER A 834 5.426 -2.070 -7.658 1.00 0.00 C ATOM 1190 C SER A 834 6.845 -1.643 -8.020 1.00 0.00 C ATOM 1191 O SER A 834 7.756 -2.471 -8.100 1.00 0.00 O ATOM 1192 CB SER A 834 4.564 -2.143 -8.915 1.00 0.00 C ATOM 1193 OG SER A 834 3.579 -3.155 -8.803 1.00 0.00 O ATOM 0 H SER A 834 3.979 -0.701 -7.009 1.00 0.00 H new ATOM 0 HA SER A 834 5.464 -3.059 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.082 -1.180 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.195 -2.341 -9.781 1.00 0.00 H new ATOM 0 HG SER A 834 2.765 -2.777 -8.410 1.00 0.00 H new ATOM 1199 N ASP A 835 7.031 -0.343 -8.223 1.00 0.00 N ATOM 1200 CA ASP A 835 8.347 0.196 -8.533 1.00 0.00 C ATOM 1201 C ASP A 835 9.236 0.180 -7.300 1.00 0.00 C ATOM 1202 O ASP A 835 10.427 -0.098 -7.393 1.00 0.00 O ATOM 1203 CB ASP A 835 8.244 1.621 -9.073 1.00 0.00 C ATOM 1204 CG ASP A 835 9.597 2.187 -9.463 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.254 1.609 -10.355 1.00 0.00 O ATOM 1206 OD2 ASP A 835 10.015 3.211 -8.878 1.00 0.00 O ATOM 0 H ASP A 835 6.288 0.354 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 835 8.790 -0.437 -9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.584 1.632 -9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.788 2.262 -8.318 1.00 0.00 H new ATOM 1211 N LEU A 836 8.643 0.474 -6.146 1.00 0.00 N ATOM 1212 CA LEU A 836 9.369 0.493 -4.876 1.00 0.00 C ATOM 1213 C LEU A 836 9.983 -0.873 -4.576 1.00 0.00 C ATOM 1214 O LEU A 836 11.180 -0.980 -4.315 1.00 0.00 O ATOM 1215 CB LEU A 836 8.427 0.917 -3.740 1.00 0.00 C ATOM 1216 CG LEU A 836 8.953 0.710 -2.318 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.122 1.642 -2.043 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.844 0.940 -1.307 1.00 0.00 C ATOM 0 H LEU A 836 7.653 0.704 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 836 10.180 1.217 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.189 1.973 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.493 0.365 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 836 9.302 -0.318 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.484 1.482 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.925 1.437 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.796 2.676 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.233 0.789 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.470 1.959 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.032 0.237 -1.491 1.00 0.00 H new ATOM 1230 N VAL A 837 9.163 -1.913 -4.638 1.00 0.00 N ATOM 1231 CA VAL A 837 9.626 -3.267 -4.357 1.00 0.00 C ATOM 1232 C VAL A 837 10.655 -3.709 -5.397 1.00 0.00 C ATOM 1233 O VAL A 837 11.670 -4.321 -5.059 1.00 0.00 O ATOM 1234 CB VAL A 837 8.448 -4.265 -4.318 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.940 -5.697 -4.165 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.493 -3.906 -3.191 1.00 0.00 C ATOM 0 H VAL A 837 8.174 -1.846 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 837 10.098 -3.259 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 837 7.916 -4.197 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.086 -6.374 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.583 -5.953 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.504 -5.791 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.667 -4.617 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.023 -3.943 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.103 -2.901 -3.351 1.00 0.00 H new ATOM 1246 N ASN A 838 10.402 -3.371 -6.657 1.00 0.00 N ATOM 1247 CA ASN A 838 11.339 -3.684 -7.732 1.00 0.00 C ATOM 1248 C ASN A 838 12.654 -2.936 -7.527 1.00 0.00 C ATOM 1249 O ASN A 838 13.735 -3.490 -7.728 1.00 0.00 O ATOM 1250 CB ASN A 838 10.745 -3.323 -9.098 1.00 0.00 C ATOM 1251 CG ASN A 838 11.760 -3.453 -10.219 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.275 -4.539 -10.487 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.052 -2.350 -10.883 1.00 0.00 N ATOM 0 H ASN A 838 9.559 -2.882 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 838 11.531 -4.757 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.894 -3.972 -9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.368 -2.301 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.726 -2.379 -11.648 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.604 -1.469 -10.631 1.00 0.00 H new ATOM 1260 N ALA A 839 12.548 -1.678 -7.107 1.00 0.00 N ATOM 1261 CA ALA A 839 13.715 -0.849 -6.851 1.00 0.00 C ATOM 1262 C ALA A 839 14.557 -1.452 -5.743 1.00 0.00 C ATOM 1263 O ALA A 839 15.778 -1.527 -5.854 1.00 0.00 O ATOM 1264 CB ALA A 839 13.297 0.567 -6.484 1.00 0.00 C ATOM 0 H ALA A 839 11.657 -1.211 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 839 14.312 -0.807 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.185 1.171 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.728 1.003 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.678 0.543 -5.587 1.00 0.00 H new ATOM 1270 N ILE A 840 13.894 -1.893 -4.684 1.00 0.00 N ATOM 1271 CA ILE A 840 14.569 -2.538 -3.573 1.00 0.00 C ATOM 1272 C ILE A 840 15.234 -3.831 -4.031 1.00 0.00 C ATOM 1273 O ILE A 840 16.387 -4.089 -3.703 1.00 0.00 O ATOM 1274 CB ILE A 840 13.592 -2.819 -2.410 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.376 -1.540 -1.608 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.110 -3.929 -1.504 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.961 -1.354 -1.123 1.00 0.00 C ATOM 0 H ILE A 840 12.883 -1.814 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 840 15.338 -1.857 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 840 12.643 -3.153 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.046 -1.544 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.654 -0.685 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.399 -4.101 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.230 -4.845 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.072 -3.636 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.888 -0.423 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.285 -1.316 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.685 -2.189 -0.479 1.00 0.00 H new ATOM 1289 N LYS A 841 14.513 -4.626 -4.810 1.00 0.00 N ATOM 1290 CA LYS A 841 15.046 -5.886 -5.315 1.00 0.00 C ATOM 1291 C LYS A 841 16.322 -5.658 -6.127 1.00 0.00 C ATOM 1292 O LYS A 841 17.262 -6.449 -6.059 1.00 0.00 O ATOM 1293 CB LYS A 841 13.999 -6.603 -6.167 1.00 0.00 C ATOM 1294 CG LYS A 841 13.227 -7.667 -5.404 1.00 0.00 C ATOM 1295 CD LYS A 841 13.422 -9.045 -6.013 1.00 0.00 C ATOM 1296 CE LYS A 841 14.750 -9.660 -5.595 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.503 -10.192 -6.760 1.00 0.00 N ATOM 0 H LYS A 841 13.559 -4.422 -5.106 1.00 0.00 H new ATOM 0 HA LYS A 841 15.295 -6.513 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.297 -5.868 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.492 -7.065 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.554 -7.679 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.166 -7.416 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.605 -9.698 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.380 -8.972 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 841 15.353 -8.909 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 841 14.570 -10.464 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.401 -10.602 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 14.938 -10.926 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.697 -9.420 -7.429 1.00 0.00 H new ATOM 1508 N LEU A 856 15.511 -5.500 3.626 1.00 0.00 N ATOM 1509 CA LEU A 856 14.918 -4.638 2.635 1.00 0.00 C ATOM 1510 C LEU A 856 13.874 -5.384 1.821 1.00 0.00 C ATOM 1511 O LEU A 856 12.741 -4.929 1.667 1.00 0.00 O ATOM 1512 CB LEU A 856 16.031 -4.136 1.731 1.00 0.00 C ATOM 1513 CG LEU A 856 16.961 -3.103 2.374 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.261 -2.980 1.593 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.275 -1.751 2.463 1.00 0.00 C ATOM 0 HA LEU A 856 14.415 -3.803 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.627 -4.988 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.585 -3.698 0.838 1.00 0.00 H new ATOM 0 HG LEU A 856 17.197 -3.445 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.904 -2.240 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.768 -3.945 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.044 -2.667 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.951 -1.030 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.008 -1.412 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.373 -1.840 3.068 1.00 0.00 H new ATOM 1527 N LEU A 857 14.262 -6.547 1.325 1.00 0.00 N ATOM 1528 CA LEU A 857 13.390 -7.357 0.488 1.00 0.00 C ATOM 1529 C LEU A 857 12.234 -7.930 1.302 1.00 0.00 C ATOM 1530 O LEU A 857 11.122 -8.084 0.794 1.00 0.00 O ATOM 1531 CB LEU A 857 14.199 -8.474 -0.168 1.00 0.00 C ATOM 1532 CG LEU A 857 15.603 -8.060 -0.623 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.570 -9.229 -0.491 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.568 -7.557 -2.057 1.00 0.00 C ATOM 0 H LEU A 857 15.183 -6.955 1.489 1.00 0.00 H new ATOM 0 HA LEU A 857 12.964 -6.725 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.288 -9.302 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.647 -8.847 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 857 15.951 -7.250 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.562 -8.919 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.614 -9.549 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.226 -10.057 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.572 -7.267 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.202 -8.348 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.905 -6.695 -2.124 1.00 0.00 H new ATOM 1546 N SER A 858 12.495 -8.226 2.569 1.00 0.00 N ATOM 1547 CA SER A 858 11.461 -8.734 3.462 1.00 0.00 C ATOM 1548 C SER A 858 10.409 -7.663 3.734 1.00 0.00 C ATOM 1549 O SER A 858 9.212 -7.953 3.783 1.00 0.00 O ATOM 1550 CB SER A 858 12.082 -9.216 4.771 1.00 0.00 C ATOM 1551 OG SER A 858 13.150 -10.112 4.519 1.00 0.00 O ATOM 0 H SER A 858 13.413 -8.123 3.001 1.00 0.00 H new ATOM 0 HA SER A 858 10.971 -9.578 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.445 -8.362 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.323 -9.709 5.379 1.00 0.00 H new ATOM 0 HG SER A 858 13.536 -10.408 5.370 1.00 0.00 H new ATOM 1557 N ALA A 859 10.860 -6.424 3.900 1.00 0.00 N ATOM 1558 CA ALA A 859 9.952 -5.302 4.094 1.00 0.00 C ATOM 1559 C ALA A 859 9.200 -5.002 2.802 1.00 0.00 C ATOM 1560 O ALA A 859 7.998 -4.732 2.817 1.00 0.00 O ATOM 1561 CB ALA A 859 10.715 -4.075 4.571 1.00 0.00 C ATOM 0 H ALA A 859 11.849 -6.173 3.904 1.00 0.00 H new ATOM 0 HA ALA A 859 9.225 -5.570 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.021 -3.246 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.208 -4.298 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.463 -3.800 3.828 1.00 0.00 H new ATOM 1567 N ALA A 860 9.915 -5.074 1.683 1.00 0.00 N ATOM 1568 CA ALA A 860 9.318 -4.857 0.371 1.00 0.00 C ATOM 1569 C ALA A 860 8.242 -5.899 0.079 1.00 0.00 C ATOM 1570 O ALA A 860 7.244 -5.607 -0.580 1.00 0.00 O ATOM 1571 CB ALA A 860 10.390 -4.884 -0.708 1.00 0.00 C ATOM 0 H ALA A 860 10.913 -5.282 1.660 1.00 0.00 H new ATOM 0 HA ALA A 860 8.845 -3.875 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.930 -4.721 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.120 -4.098 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.889 -5.853 -0.701 1.00 0.00 H new ATOM 1577 N LYS A 861 8.444 -7.112 0.579 1.00 0.00 N ATOM 1578 CA LYS A 861 7.462 -8.177 0.422 1.00 0.00 C ATOM 1579 C LYS A 861 6.142 -7.784 1.077 1.00 0.00 C ATOM 1580 O LYS A 861 5.070 -7.990 0.505 1.00 0.00 O ATOM 1581 CB LYS A 861 7.987 -9.476 1.029 1.00 0.00 C ATOM 1582 CG LYS A 861 7.940 -10.654 0.070 1.00 0.00 C ATOM 1583 CD LYS A 861 9.001 -11.687 0.408 1.00 0.00 C ATOM 1584 CE LYS A 861 9.339 -12.551 -0.795 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.518 -13.422 -0.542 1.00 0.00 N ATOM 0 H LYS A 861 9.280 -7.383 1.097 1.00 0.00 H new ATOM 0 HA LYS A 861 7.289 -8.334 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.015 -9.325 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.401 -9.716 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.954 -11.117 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 861 8.087 -10.300 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.901 -11.184 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.649 -12.319 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.479 -13.170 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.538 -11.912 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.714 -13.995 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 11.346 -12.831 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.319 -14.050 0.263 1.00 0.00 H new ATOM 1599 N ILE A 862 6.230 -7.204 2.271 1.00 0.00 N ATOM 1600 CA ILE A 862 5.045 -6.708 2.963 1.00 0.00 C ATOM 1601 C ILE A 862 4.417 -5.575 2.165 1.00 0.00 C ATOM 1602 O ILE A 862 3.200 -5.520 2.006 1.00 0.00 O ATOM 1603 CB ILE A 862 5.367 -6.196 4.383 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.387 -7.105 5.070 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.092 -6.106 5.213 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.163 -6.416 6.172 1.00 0.00 C ATOM 0 H ILE A 862 7.105 -7.067 2.777 1.00 0.00 H new ATOM 0 HA ILE A 862 4.353 -7.546 3.053 1.00 0.00 H new ATOM 0 HB ILE A 862 5.802 -5.200 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.869 -7.969 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.087 -7.482 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.333 -5.744 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.395 -5.417 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.635 -7.093 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.868 -7.119 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.708 -5.568 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.472 -6.064 6.938 1.00 0.00 H new ATOM 1618 N LEU A 863 5.269 -4.689 1.652 1.00 0.00 N ATOM 1619 CA LEU A 863 4.832 -3.562 0.831 1.00 0.00 C ATOM 1620 C LEU A 863 3.936 -4.034 -0.312 1.00 0.00 C ATOM 1621 O LEU A 863 2.807 -3.567 -0.461 1.00 0.00 O ATOM 1622 CB LEU A 863 6.050 -2.823 0.250 1.00 0.00 C ATOM 1623 CG LEU A 863 6.381 -1.463 0.875 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.113 -0.717 1.263 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.289 -1.641 2.080 1.00 0.00 C ATOM 0 H LEU A 863 6.278 -4.732 1.793 1.00 0.00 H new ATOM 0 HA LEU A 863 4.263 -2.885 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.923 -3.468 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.885 -2.678 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 863 6.906 -0.865 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.377 0.244 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.501 -0.554 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.551 -1.307 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.515 -0.666 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.789 -2.261 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.216 -2.124 1.769 1.00 0.00 H new ATOM 1637 N ALA A 864 4.444 -4.974 -1.102 1.00 0.00 N ATOM 1638 CA ALA A 864 3.731 -5.471 -2.274 1.00 0.00 C ATOM 1639 C ALA A 864 2.409 -6.134 -1.893 1.00 0.00 C ATOM 1640 O ALA A 864 1.367 -5.843 -2.487 1.00 0.00 O ATOM 1641 CB ALA A 864 4.609 -6.444 -3.047 1.00 0.00 C ATOM 0 H ALA A 864 5.354 -5.410 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 864 3.498 -4.616 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.067 -6.809 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.518 -5.936 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.872 -7.285 -2.406 1.00 0.00 H new ATOM 1647 N ASP A 865 2.453 -7.013 -0.899 1.00 0.00 N ATOM 1648 CA ASP A 865 1.265 -7.754 -0.481 1.00 0.00 C ATOM 1649 C ASP A 865 0.215 -6.820 0.115 1.00 0.00 C ATOM 1650 O ASP A 865 -0.966 -6.900 -0.229 1.00 0.00 O ATOM 1651 CB ASP A 865 1.633 -8.837 0.535 1.00 0.00 C ATOM 1652 CG ASP A 865 0.423 -9.622 1.005 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.163 -10.372 0.192 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.051 -9.491 2.190 1.00 0.00 O ATOM 0 H ASP A 865 3.296 -7.231 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 865 0.843 -8.228 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.355 -9.520 0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.120 -8.375 1.394 1.00 0.00 H new ATOM 1659 N ALA A 866 0.654 -5.925 0.993 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.251 -4.986 1.645 1.00 0.00 C ATOM 1661 C ALA A 866 -0.907 -4.063 0.626 1.00 0.00 C ATOM 1662 O ALA A 866 -2.086 -3.729 0.749 1.00 0.00 O ATOM 1663 CB ALA A 866 0.487 -4.171 2.698 1.00 0.00 C ATOM 0 H ALA A 866 1.631 -5.830 1.270 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.034 -5.563 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.206 -3.477 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.902 -4.841 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.294 -3.612 2.225 1.00 0.00 H new ATOM 1669 N THR A 867 -0.149 -3.666 -0.388 1.00 0.00 N ATOM 1670 CA THR A 867 -0.669 -2.783 -1.419 1.00 0.00 C ATOM 1671 C THR A 867 -1.777 -3.467 -2.219 1.00 0.00 C ATOM 1672 O THR A 867 -2.759 -2.829 -2.592 1.00 0.00 O ATOM 1673 CB THR A 867 0.450 -2.297 -2.363 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.448 -1.601 -1.603 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.097 -1.375 -3.442 1.00 0.00 C ATOM 0 H THR A 867 0.825 -3.941 -0.517 1.00 0.00 H new ATOM 0 HA THR A 867 -1.091 -1.912 -0.917 1.00 0.00 H new ATOM 0 HB THR A 867 0.887 -3.169 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.875 -2.223 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.717 -1.050 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.841 -1.908 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.559 -0.504 -2.977 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.644 -4.768 -2.458 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.688 -5.505 -3.160 1.00 0.00 C ATOM 1685 C ALA A 868 -3.907 -5.675 -2.270 1.00 0.00 C ATOM 1686 O ALA A 868 -5.037 -5.714 -2.752 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.200 -6.860 -3.625 1.00 0.00 C ATOM 0 H ALA A 868 -0.837 -5.326 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.961 -4.924 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -3.006 -7.379 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.357 -6.730 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.885 -7.449 -2.763 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.669 -5.787 -0.969 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.752 -5.834 0.000 1.00 0.00 C ATOM 1695 C LYS A 869 -5.524 -4.523 -0.045 1.00 0.00 C ATOM 1696 O LYS A 869 -6.753 -4.513 -0.022 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.208 -6.076 1.409 1.00 0.00 C ATOM 1698 CG LYS A 869 -3.798 -7.516 1.666 1.00 0.00 C ATOM 1699 CD LYS A 869 -2.771 -7.610 2.784 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.998 -8.846 3.641 1.00 0.00 C ATOM 1701 NZ LYS A 869 -2.356 -10.054 3.058 1.00 0.00 N ATOM 0 H LYS A 869 -2.735 -5.847 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.418 -6.659 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.347 -5.428 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.967 -5.788 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.677 -8.105 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.385 -7.947 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -1.768 -7.640 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.826 -6.718 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -2.601 -8.672 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.068 -9.021 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -2.005 -10.664 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -3.052 -10.577 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -1.561 -9.766 2.452 1.00 0.00 H new ATOM 1715 N MET A 870 -4.780 -3.426 -0.124 1.00 0.00 N ATOM 1716 CA MET A 870 -5.361 -2.094 -0.251 1.00 0.00 C ATOM 1717 C MET A 870 -6.087 -1.956 -1.584 1.00 0.00 C ATOM 1718 O MET A 870 -7.222 -1.487 -1.641 1.00 0.00 O ATOM 1719 CB MET A 870 -4.266 -1.032 -0.144 1.00 0.00 C ATOM 1720 CG MET A 870 -4.609 0.106 0.802 1.00 0.00 C ATOM 1721 SD MET A 870 -6.382 0.405 0.923 1.00 0.00 S ATOM 1722 CE MET A 870 -6.523 1.891 -0.059 1.00 0.00 C ATOM 0 H MET A 870 -3.760 -3.434 -0.102 1.00 0.00 H new ATOM 0 HA MET A 870 -6.079 -1.950 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.344 -1.506 0.192 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.071 -0.623 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.215 -0.120 1.793 1.00 0.00 H new ATOM 0 HG3 MET A 870 -4.114 1.016 0.463 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.565 2.044 -0.340 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.174 2.745 0.521 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.916 1.792 -0.959 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.414 -2.377 -2.649 1.00 0.00 N ATOM 1733 CA VAL A 871 -5.983 -2.370 -3.991 1.00 0.00 C ATOM 1734 C VAL A 871 -7.305 -3.134 -4.017 1.00 0.00 C ATOM 1735 O VAL A 871 -8.314 -2.641 -4.523 1.00 0.00 O ATOM 1736 CB VAL A 871 -4.978 -2.984 -5.001 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.677 -3.662 -6.174 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -4.016 -1.917 -5.496 1.00 0.00 C ATOM 0 H VAL A 871 -4.459 -2.733 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.181 -1.338 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.418 -3.757 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.931 -4.076 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -6.315 -4.464 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.286 -2.931 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -3.315 -2.359 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -4.576 -1.122 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -3.465 -1.503 -4.651 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.293 -4.328 -3.440 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.479 -5.167 -3.373 1.00 0.00 C ATOM 1750 C GLU A 872 -9.549 -4.527 -2.488 1.00 0.00 C ATOM 1751 O GLU A 872 -10.735 -4.548 -2.816 1.00 0.00 O ATOM 1752 CB GLU A 872 -8.102 -6.552 -2.837 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.635 -7.701 -3.678 1.00 0.00 C ATOM 1754 CD GLU A 872 -10.132 -7.880 -3.545 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -10.580 -8.453 -2.526 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.869 -7.453 -4.460 1.00 0.00 O ATOM 0 H GLU A 872 -6.466 -4.739 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.890 -5.271 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -7.016 -6.627 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.480 -6.653 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.386 -7.525 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.136 -8.624 -3.382 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.120 -3.943 -1.374 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.038 -3.317 -0.430 1.00 0.00 C ATOM 1765 C ALA A 873 -10.726 -2.106 -1.044 1.00 0.00 C ATOM 1766 O ALA A 873 -11.939 -1.941 -0.913 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.303 -2.915 0.838 1.00 0.00 C ATOM 0 H ALA A 873 -8.138 -3.890 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.805 -4.049 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.003 -2.449 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.867 -3.800 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.512 -2.207 0.591 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.951 -1.266 -1.720 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.484 -0.059 -2.335 1.00 0.00 C ATOM 1775 C ALA A 874 -11.436 -0.400 -3.474 1.00 0.00 C ATOM 1776 O ALA A 874 -12.488 0.220 -3.621 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.354 0.826 -2.836 1.00 0.00 C ATOM 0 H ALA A 874 -8.949 -1.400 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.045 0.486 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.770 1.724 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.714 1.108 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.766 0.282 -3.575 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.065 -1.393 -4.272 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.896 -1.832 -5.387 1.00 0.00 C ATOM 1785 C LYS A 875 -13.182 -2.474 -4.878 1.00 0.00 C ATOM 1786 O LYS A 875 -14.267 -2.231 -5.414 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.132 -2.823 -6.263 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.294 -2.160 -7.342 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.200 -3.086 -7.841 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.486 -3.570 -9.251 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.688 -5.040 -9.300 1.00 0.00 N ATOM 0 H LYS A 875 -10.192 -1.911 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.154 -0.957 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.482 -3.428 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.843 -3.503 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.934 -1.869 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.848 -1.247 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.243 -2.565 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.112 -3.942 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -10.375 -3.068 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.658 -3.295 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.881 -5.331 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.831 -5.520 -8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.494 -5.300 -8.696 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.050 -3.288 -3.841 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.201 -3.941 -3.254 1.00 0.00 C ATOM 1807 C GLY A 876 -15.138 -2.962 -2.579 1.00 0.00 C ATOM 1808 O GLY A 876 -16.348 -2.989 -2.807 1.00 0.00 O ATOM 0 H GLY A 876 -12.160 -3.509 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.743 -4.483 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.865 -4.679 -2.526 1.00 0.00 H new