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 180:sc= 0.692 USER MOD Set 1.2: A 867 THR OG1 : rot 67:sc= 0.975 USER MOD Set 2.1: A 811 ASN : amide:sc= -0.104 K(o=0.52,f=-0.27) USER MOD Set 2.2: A 825 GLN : amide:sc= 0.629 K(o=0.52,f=-3.3!) USER MOD Single : A 772 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 779 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 802 THR OG1 : rot -119:sc= -0.0637 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 814 SER OG : rot 70:sc= 1.13 USER MOD Single : A 815 SER OG : rot -75:sc= -2.97! USER MOD Single : A 816 MET CE :methyl 157:sc= 0 (180deg=-0.0514) USER MOD Single : A 822 MET CE :methyl 166:sc= -0.949 (180deg=-1.14) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 99:sc= 1.26 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0.0288 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 -114:sc= -3.63! (180deg=-4.49!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.723 -2.432 5.920 1.00 0.00 N ATOM 221 CA GLY A 766 -11.895 -3.068 4.916 1.00 0.00 C ATOM 222 C GLY A 766 -10.737 -2.198 4.481 1.00 0.00 C ATOM 223 O GLY A 766 -9.575 -2.576 4.635 1.00 0.00 O ATOM 0 HA2 GLY A 766 -11.510 -4.008 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.507 -3.313 4.048 1.00 0.00 H new ATOM 227 N VAL A 767 -11.054 -1.022 3.953 1.00 0.00 N ATOM 228 CA VAL A 767 -10.041 -0.130 3.403 1.00 0.00 C ATOM 229 C VAL A 767 -9.138 0.420 4.497 1.00 0.00 C ATOM 230 O VAL A 767 -7.932 0.531 4.310 1.00 0.00 O ATOM 231 CB VAL A 767 -10.671 1.049 2.632 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.651 1.685 1.700 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.894 0.591 1.855 1.00 0.00 C ATOM 0 H VAL A 767 -12.007 -0.663 3.894 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.449 -0.727 2.709 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.989 1.799 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.114 2.514 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.807 2.055 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.300 0.942 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.323 1.438 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.604 -0.181 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.634 0.187 2.546 1.00 0.00 H new ATOM 243 N GLY A 768 -9.726 0.746 5.642 1.00 0.00 N ATOM 244 CA GLY A 768 -8.959 1.301 6.745 1.00 0.00 C ATOM 245 C GLY A 768 -7.823 0.394 7.176 1.00 0.00 C ATOM 246 O GLY A 768 -6.677 0.833 7.293 1.00 0.00 O ATOM 0 H GLY A 768 -10.723 0.636 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.555 2.270 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.622 1.476 7.593 1.00 0.00 H new ATOM 250 N ALA A 769 -8.137 -0.876 7.391 1.00 0.00 N ATOM 251 CA ALA A 769 -7.137 -1.855 7.797 1.00 0.00 C ATOM 252 C ALA A 769 -6.112 -2.078 6.692 1.00 0.00 C ATOM 253 O ALA A 769 -4.904 -2.105 6.942 1.00 0.00 O ATOM 254 CB ALA A 769 -7.807 -3.169 8.169 1.00 0.00 C ATOM 0 H ALA A 769 -9.079 -1.254 7.291 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.615 -1.466 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -7.049 -3.892 8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.499 -3.004 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.354 -3.555 7.309 1.00 0.00 H new ATOM 260 N ALA A 770 -6.602 -2.219 5.465 1.00 0.00 N ATOM 261 CA ALA A 770 -5.742 -2.466 4.316 1.00 0.00 C ATOM 262 C ALA A 770 -4.784 -1.303 4.077 1.00 0.00 C ATOM 263 O ALA A 770 -3.603 -1.505 3.797 1.00 0.00 O ATOM 264 CB ALA A 770 -6.591 -2.719 3.080 1.00 0.00 C ATOM 0 H ALA A 770 -7.596 -2.166 5.241 1.00 0.00 H new ATOM 0 HA ALA A 770 -5.140 -3.351 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.942 -2.903 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -7.227 -3.589 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.214 -1.847 2.882 1.00 0.00 H new ATOM 270 N ALA A 771 -5.302 -0.087 4.194 1.00 0.00 N ATOM 271 CA ALA A 771 -4.506 1.114 3.985 1.00 0.00 C ATOM 272 C ALA A 771 -3.413 1.238 5.039 1.00 0.00 C ATOM 273 O ALA A 771 -2.259 1.517 4.713 1.00 0.00 O ATOM 274 CB ALA A 771 -5.395 2.348 3.993 1.00 0.00 C ATOM 0 H ALA A 771 -6.277 0.093 4.434 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.026 1.035 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.785 3.237 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.134 2.269 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.904 2.423 4.954 1.00 0.00 H new ATOM 280 N THR A 772 -3.782 1.004 6.296 1.00 0.00 N ATOM 281 CA THR A 772 -2.840 1.104 7.406 1.00 0.00 C ATOM 282 C THR A 772 -1.675 0.133 7.227 1.00 0.00 C ATOM 283 O THR A 772 -0.540 0.442 7.589 1.00 0.00 O ATOM 284 CB THR A 772 -3.535 0.835 8.756 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.695 1.673 8.883 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.592 1.093 9.924 1.00 0.00 C ATOM 0 H THR A 772 -4.729 0.743 6.571 1.00 0.00 H new ATOM 0 HA THR A 772 -2.453 2.123 7.409 1.00 0.00 H new ATOM 0 HB THR A 772 -3.832 -0.214 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.469 1.222 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.111 0.895 10.862 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.725 0.437 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.264 2.132 9.904 1.00 0.00 H new ATOM 294 N ALA A 773 -1.958 -1.033 6.651 1.00 0.00 N ATOM 295 CA ALA A 773 -0.923 -2.024 6.384 1.00 0.00 C ATOM 296 C ALA A 773 0.168 -1.438 5.492 1.00 0.00 C ATOM 297 O ALA A 773 1.359 -1.670 5.712 1.00 0.00 O ATOM 298 CB ALA A 773 -1.529 -3.265 5.743 1.00 0.00 C ATOM 0 H ALA A 773 -2.895 -1.313 6.361 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.469 -2.311 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.743 -3.995 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.269 -3.698 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.009 -2.992 4.803 1.00 0.00 H new ATOM 304 N VAL A 774 -0.246 -0.660 4.499 1.00 0.00 N ATOM 305 CA VAL A 774 0.691 -0.001 3.599 1.00 0.00 C ATOM 306 C VAL A 774 1.447 1.100 4.335 1.00 0.00 C ATOM 307 O VAL A 774 2.669 1.202 4.227 1.00 0.00 O ATOM 308 CB VAL A 774 -0.028 0.595 2.367 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.924 1.442 1.531 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.635 -0.512 1.521 1.00 0.00 C ATOM 0 H VAL A 774 -1.228 -0.470 4.297 1.00 0.00 H new ATOM 0 HA VAL A 774 1.396 -0.755 3.250 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.829 1.242 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.391 1.848 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.311 2.261 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.752 0.824 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.138 -0.076 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 774 0.153 -1.184 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.357 -1.071 2.117 1.00 0.00 H new ATOM 320 N THR A 775 0.718 1.906 5.100 1.00 0.00 N ATOM 321 CA THR A 775 1.324 2.974 5.887 1.00 0.00 C ATOM 322 C THR A 775 2.379 2.414 6.843 1.00 0.00 C ATOM 323 O THR A 775 3.459 2.985 7.003 1.00 0.00 O ATOM 324 CB THR A 775 0.257 3.732 6.698 1.00 0.00 C ATOM 325 OG1 THR A 775 -1.007 3.647 6.033 1.00 0.00 O ATOM 326 CG2 THR A 775 0.644 5.192 6.881 1.00 0.00 C ATOM 0 H THR A 775 -0.296 1.839 5.192 1.00 0.00 H new ATOM 0 HA THR A 775 1.801 3.664 5.190 1.00 0.00 H new ATOM 0 HB THR A 775 0.185 3.271 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.683 4.129 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.127 5.703 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.594 5.253 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.743 5.667 5.905 1.00 0.00 H new ATOM 334 N GLN A 776 2.057 1.286 7.463 1.00 0.00 N ATOM 335 CA GLN A 776 2.962 0.630 8.398 1.00 0.00 C ATOM 336 C GLN A 776 4.187 0.077 7.678 1.00 0.00 C ATOM 337 O GLN A 776 5.319 0.267 8.125 1.00 0.00 O ATOM 338 CB GLN A 776 2.236 -0.499 9.127 1.00 0.00 C ATOM 339 CG GLN A 776 1.801 -0.128 10.532 1.00 0.00 C ATOM 340 CD GLN A 776 2.830 -0.511 11.575 1.00 0.00 C ATOM 341 OE1 GLN A 776 4.007 -0.166 11.462 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.398 -1.239 12.590 1.00 0.00 N ATOM 0 H GLN A 776 1.168 0.803 7.333 1.00 0.00 H new ATOM 0 HA GLN A 776 3.296 1.372 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.359 -0.790 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.890 -1.370 9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.620 0.946 10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.856 -0.622 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.414 -1.503 12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.048 -1.536 13.318 1.00 0.00 H new ATOM 351 N ALA A 777 3.955 -0.606 6.563 1.00 0.00 N ATOM 352 CA ALA A 777 5.038 -1.190 5.781 1.00 0.00 C ATOM 353 C ALA A 777 5.964 -0.107 5.237 1.00 0.00 C ATOM 354 O ALA A 777 7.186 -0.258 5.245 1.00 0.00 O ATOM 355 CB ALA A 777 4.478 -2.031 4.643 1.00 0.00 C ATOM 0 H ALA A 777 3.024 -0.769 6.179 1.00 0.00 H new ATOM 0 HA ALA A 777 5.621 -1.836 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.299 -2.460 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.863 -2.833 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.869 -1.403 3.992 1.00 0.00 H new ATOM 361 N LEU A 778 5.374 0.989 4.781 1.00 0.00 N ATOM 362 CA LEU A 778 6.139 2.099 4.232 1.00 0.00 C ATOM 363 C LEU A 778 6.978 2.772 5.312 1.00 0.00 C ATOM 364 O LEU A 778 8.147 3.077 5.093 1.00 0.00 O ATOM 365 CB LEU A 778 5.206 3.118 3.583 1.00 0.00 C ATOM 366 CG LEU A 778 5.839 3.948 2.469 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.908 3.143 1.181 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.059 5.233 2.260 1.00 0.00 C ATOM 0 H LEU A 778 4.364 1.133 4.781 1.00 0.00 H new ATOM 0 HA LEU A 778 6.813 1.701 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.342 2.592 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.836 3.793 4.354 1.00 0.00 H new ATOM 0 HG LEU A 778 6.856 4.209 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.362 3.749 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.510 2.249 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.902 2.853 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.522 5.814 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.032 4.994 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.062 5.815 3.182 1.00 0.00 H new ATOM 380 N ASN A 779 6.375 2.995 6.478 1.00 0.00 N ATOM 381 CA ASN A 779 7.086 3.594 7.606 1.00 0.00 C ATOM 382 C ASN A 779 8.267 2.719 7.995 1.00 0.00 C ATOM 383 O ASN A 779 9.357 3.211 8.294 1.00 0.00 O ATOM 384 CB ASN A 779 6.151 3.754 8.808 1.00 0.00 C ATOM 385 CG ASN A 779 5.521 5.131 8.883 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.150 6.096 9.316 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.273 5.231 8.458 1.00 0.00 N ATOM 0 H ASN A 779 5.398 2.771 6.666 1.00 0.00 H new ATOM 0 HA ASN A 779 7.444 4.579 7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.364 3.002 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.709 3.565 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.797 6.133 8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.786 4.406 8.106 1.00 0.00 H new ATOM 394 N GLU A 780 8.029 1.414 7.977 1.00 0.00 N ATOM 395 CA GLU A 780 9.059 0.428 8.256 1.00 0.00 C ATOM 396 C GLU A 780 10.194 0.538 7.249 1.00 0.00 C ATOM 397 O GLU A 780 11.353 0.726 7.614 1.00 0.00 O ATOM 398 CB GLU A 780 8.456 -0.974 8.192 1.00 0.00 C ATOM 399 CG GLU A 780 9.388 -2.063 8.687 1.00 0.00 C ATOM 400 CD GLU A 780 9.035 -2.543 10.077 1.00 0.00 C ATOM 401 OE1 GLU A 780 7.996 -2.108 10.620 1.00 0.00 O ATOM 402 OE2 GLU A 780 9.790 -3.370 10.630 1.00 0.00 O ATOM 0 H GLU A 780 7.115 1.011 7.768 1.00 0.00 H new ATOM 0 HA GLU A 780 9.457 0.614 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.542 -0.994 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.173 -1.191 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.355 -2.906 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.412 -1.689 8.685 1.00 0.00 H new ATOM 409 N LEU A 781 9.839 0.435 5.977 1.00 0.00 N ATOM 410 CA LEU A 781 10.816 0.446 4.901 1.00 0.00 C ATOM 411 C LEU A 781 11.588 1.757 4.859 1.00 0.00 C ATOM 412 O LEU A 781 12.803 1.755 4.680 1.00 0.00 O ATOM 413 CB LEU A 781 10.127 0.207 3.562 1.00 0.00 C ATOM 414 CG LEU A 781 11.070 0.094 2.368 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.208 -1.357 1.936 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.575 0.957 1.221 1.00 0.00 C ATOM 0 H LEU A 781 8.873 0.342 5.664 1.00 0.00 H new ATOM 0 HA LEU A 781 11.527 -0.358 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.539 -0.708 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.427 1.023 3.379 1.00 0.00 H new ATOM 0 HG LEU A 781 12.055 0.454 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.884 -1.420 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.609 -1.946 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.230 -1.747 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.258 0.866 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.580 0.627 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.531 1.998 1.542 1.00 0.00 H new ATOM 428 N LEU A 782 10.883 2.869 5.032 1.00 0.00 N ATOM 429 CA LEU A 782 11.503 4.188 4.973 1.00 0.00 C ATOM 430 C LEU A 782 12.622 4.317 5.999 1.00 0.00 C ATOM 431 O LEU A 782 13.752 4.660 5.651 1.00 0.00 O ATOM 432 CB LEU A 782 10.460 5.285 5.198 1.00 0.00 C ATOM 433 CG LEU A 782 10.086 6.085 3.948 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.082 7.171 4.296 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.328 6.687 3.307 1.00 0.00 C ATOM 0 H LEU A 782 9.880 2.884 5.215 1.00 0.00 H new ATOM 0 HA LEU A 782 11.933 4.307 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.557 4.829 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.836 5.974 5.954 1.00 0.00 H new ATOM 0 HG LEU A 782 9.626 5.408 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.826 7.731 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.182 6.716 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.517 7.846 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.042 7.252 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.819 7.352 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.014 5.889 3.023 1.00 0.00 H new ATOM 701 N ALA A 801 9.419 8.406 -4.009 1.00 0.00 N ATOM 702 CA ALA A 801 8.511 7.304 -4.298 1.00 0.00 C ATOM 703 C ALA A 801 7.637 6.978 -3.089 1.00 0.00 C ATOM 704 O ALA A 801 6.420 6.839 -3.216 1.00 0.00 O ATOM 705 CB ALA A 801 9.290 6.075 -4.737 1.00 0.00 C ATOM 0 HA ALA A 801 7.856 7.613 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.597 5.261 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.861 6.308 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.972 5.773 -3.942 1.00 0.00 H new ATOM 711 N THR A 802 8.256 6.883 -1.917 1.00 0.00 N ATOM 712 CA THR A 802 7.521 6.586 -0.695 1.00 0.00 C ATOM 713 C THR A 802 6.539 7.708 -0.378 1.00 0.00 C ATOM 714 O THR A 802 5.401 7.459 0.023 1.00 0.00 O ATOM 715 CB THR A 802 8.469 6.384 0.503 1.00 0.00 C ATOM 716 OG1 THR A 802 9.522 7.351 0.462 1.00 0.00 O ATOM 717 CG2 THR A 802 9.062 4.983 0.494 1.00 0.00 C ATOM 0 H THR A 802 9.260 7.007 -1.789 1.00 0.00 H new ATOM 0 HA THR A 802 6.975 5.658 -0.863 1.00 0.00 H new ATOM 0 HB THR A 802 7.893 6.512 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.385 6.892 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.728 4.864 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.259 4.248 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.624 4.832 -0.427 1.00 0.00 H new ATOM 725 N ASP A 803 6.987 8.945 -0.581 1.00 0.00 N ATOM 726 CA ASP A 803 6.137 10.116 -0.396 1.00 0.00 C ATOM 727 C ASP A 803 4.891 10.013 -1.269 1.00 0.00 C ATOM 728 O ASP A 803 3.779 10.305 -0.826 1.00 0.00 O ATOM 729 CB ASP A 803 6.905 11.393 -0.744 1.00 0.00 C ATOM 730 CG ASP A 803 6.032 12.628 -0.677 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.716 13.075 0.444 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.664 13.161 -1.741 1.00 0.00 O ATOM 0 H ASP A 803 7.939 9.162 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 803 5.835 10.156 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.744 11.507 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.323 11.301 -1.747 1.00 0.00 H new ATOM 737 N THR A 804 5.093 9.584 -2.508 1.00 0.00 N ATOM 738 CA THR A 804 3.997 9.391 -3.446 1.00 0.00 C ATOM 739 C THR A 804 2.995 8.373 -2.903 1.00 0.00 C ATOM 740 O THR A 804 1.788 8.611 -2.915 1.00 0.00 O ATOM 741 CB THR A 804 4.524 8.921 -4.819 1.00 0.00 C ATOM 742 OG1 THR A 804 5.620 9.754 -5.238 1.00 0.00 O ATOM 743 CG2 THR A 804 3.425 8.959 -5.872 1.00 0.00 C ATOM 0 H THR A 804 6.013 9.362 -2.888 1.00 0.00 H new ATOM 0 HA THR A 804 3.495 10.350 -3.573 1.00 0.00 H new ATOM 0 HB THR A 804 4.866 7.891 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.949 9.448 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.826 8.623 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.609 8.303 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.053 9.979 -5.973 1.00 0.00 H new ATOM 751 N ILE A 805 3.509 7.255 -2.401 1.00 0.00 N ATOM 752 CA ILE A 805 2.669 6.208 -1.831 1.00 0.00 C ATOM 753 C ILE A 805 1.883 6.734 -0.634 1.00 0.00 C ATOM 754 O ILE A 805 0.660 6.641 -0.609 1.00 0.00 O ATOM 755 CB ILE A 805 3.508 4.986 -1.403 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.957 4.205 -2.633 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.727 4.081 -0.459 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.384 3.728 -2.543 1.00 0.00 C ATOM 0 H ILE A 805 4.508 7.050 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 805 1.970 5.895 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 805 4.386 5.348 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.301 3.345 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.846 4.834 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.346 3.230 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.449 4.640 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.826 3.725 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.642 3.179 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.048 4.586 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.495 3.074 -1.678 1.00 0.00 H new ATOM 770 N LEU A 806 2.596 7.296 0.340 1.00 0.00 N ATOM 771 CA LEU A 806 1.968 7.834 1.552 1.00 0.00 C ATOM 772 C LEU A 806 0.843 8.797 1.205 1.00 0.00 C ATOM 773 O LEU A 806 -0.261 8.685 1.731 1.00 0.00 O ATOM 774 CB LEU A 806 2.994 8.564 2.419 1.00 0.00 C ATOM 775 CG LEU A 806 3.334 7.887 3.749 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.028 8.869 4.680 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.080 7.330 4.405 1.00 0.00 C ATOM 0 H LEU A 806 3.611 7.392 0.316 1.00 0.00 H new ATOM 0 HA LEU A 806 1.559 6.989 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.913 8.679 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.620 9.567 2.627 1.00 0.00 H new ATOM 0 HG LEU A 806 4.012 7.058 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.264 8.373 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.949 9.222 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.370 9.717 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.344 6.853 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.377 8.141 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.619 6.596 3.744 1.00 0.00 H new ATOM 789 N THR A 807 1.130 9.737 0.315 1.00 0.00 N ATOM 790 CA THR A 807 0.139 10.715 -0.107 1.00 0.00 C ATOM 791 C THR A 807 -1.048 10.030 -0.782 1.00 0.00 C ATOM 792 O THR A 807 -2.190 10.447 -0.616 1.00 0.00 O ATOM 793 CB THR A 807 0.755 11.755 -1.062 1.00 0.00 C ATOM 794 OG1 THR A 807 2.005 12.219 -0.530 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.184 12.935 -1.260 1.00 0.00 C ATOM 0 H THR A 807 2.042 9.842 -0.129 1.00 0.00 H new ATOM 0 HA THR A 807 -0.213 11.231 0.786 1.00 0.00 H new ATOM 0 HB THR A 807 0.920 11.279 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.742 11.725 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.274 13.655 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.125 12.584 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.376 13.413 -0.299 1.00 0.00 H new ATOM 803 N VAL A 808 -0.772 8.965 -1.522 1.00 0.00 N ATOM 804 CA VAL A 808 -1.818 8.190 -2.174 1.00 0.00 C ATOM 805 C VAL A 808 -2.708 7.503 -1.132 1.00 0.00 C ATOM 806 O VAL A 808 -3.936 7.571 -1.210 1.00 0.00 O ATOM 807 CB VAL A 808 -1.211 7.134 -3.133 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.103 5.907 -3.257 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.954 7.744 -4.501 1.00 0.00 C ATOM 0 H VAL A 808 0.173 8.617 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.428 8.878 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.262 6.809 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.643 5.190 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.228 5.448 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.077 6.203 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.528 6.989 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.893 8.105 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.257 8.576 -4.403 1.00 0.00 H new ATOM 819 N THR A 809 -2.089 6.858 -0.148 1.00 0.00 N ATOM 820 CA THR A 809 -2.837 6.182 0.903 1.00 0.00 C ATOM 821 C THR A 809 -3.596 7.198 1.754 1.00 0.00 C ATOM 822 O THR A 809 -4.754 6.984 2.117 1.00 0.00 O ATOM 823 CB THR A 809 -1.910 5.338 1.800 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.697 5.039 1.102 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.589 4.042 2.210 1.00 0.00 C ATOM 0 H THR A 809 -1.075 6.790 -0.058 1.00 0.00 H new ATOM 0 HA THR A 809 -3.549 5.511 0.422 1.00 0.00 H new ATOM 0 HB THR A 809 -1.685 5.915 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.112 4.504 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.916 3.463 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.501 4.268 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.838 3.464 1.320 1.00 0.00 H new ATOM 833 N GLU A 810 -2.939 8.314 2.043 1.00 0.00 N ATOM 834 CA GLU A 810 -3.559 9.415 2.766 1.00 0.00 C ATOM 835 C GLU A 810 -4.732 9.977 1.958 1.00 0.00 C ATOM 836 O GLU A 810 -5.764 10.365 2.515 1.00 0.00 O ATOM 837 CB GLU A 810 -2.510 10.498 3.052 1.00 0.00 C ATOM 838 CG GLU A 810 -3.092 11.859 3.394 1.00 0.00 C ATOM 839 CD GLU A 810 -2.789 12.277 4.817 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.669 12.003 5.296 1.00 0.00 O ATOM 841 OE2 GLU A 810 -3.667 12.887 5.466 1.00 0.00 O ATOM 0 H GLU A 810 -1.967 8.480 1.784 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.949 9.055 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.880 10.168 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.864 10.601 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.693 12.605 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.172 11.836 3.247 1.00 0.00 H new ATOM 848 N ASN A 811 -4.573 9.992 0.639 1.00 0.00 N ATOM 849 CA ASN A 811 -5.640 10.399 -0.269 1.00 0.00 C ATOM 850 C ASN A 811 -6.843 9.483 -0.110 1.00 0.00 C ATOM 851 O ASN A 811 -7.975 9.946 -0.024 1.00 0.00 O ATOM 852 CB ASN A 811 -5.163 10.351 -1.721 1.00 0.00 C ATOM 853 CG ASN A 811 -4.736 11.702 -2.253 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.339 12.728 -1.940 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.696 11.706 -3.070 1.00 0.00 N ATOM 0 H ASN A 811 -3.707 9.724 0.171 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.922 11.422 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.327 9.656 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.964 9.958 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.364 12.584 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.226 10.831 -3.302 1.00 0.00 H new ATOM 862 N ILE A 812 -6.592 8.180 -0.065 1.00 0.00 N ATOM 863 CA ILE A 812 -7.660 7.199 0.108 1.00 0.00 C ATOM 864 C ILE A 812 -8.316 7.356 1.480 1.00 0.00 C ATOM 865 O ILE A 812 -9.524 7.184 1.622 1.00 0.00 O ATOM 866 CB ILE A 812 -7.136 5.749 -0.064 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.800 5.479 -1.530 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.151 4.730 0.441 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.493 4.742 -1.725 1.00 0.00 C ATOM 0 H ILE A 812 -5.659 7.777 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.403 7.385 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.230 5.646 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.606 4.898 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.756 6.428 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.754 3.724 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.346 4.905 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.079 4.832 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.319 4.585 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.677 5.332 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.540 3.778 -1.219 1.00 0.00 H new ATOM 881 N PHE A 813 -7.518 7.705 2.481 1.00 0.00 N ATOM 882 CA PHE A 813 -8.039 7.966 3.819 1.00 0.00 C ATOM 883 C PHE A 813 -8.992 9.158 3.796 1.00 0.00 C ATOM 884 O PHE A 813 -9.903 9.256 4.614 1.00 0.00 O ATOM 885 CB PHE A 813 -6.892 8.233 4.798 1.00 0.00 C ATOM 886 CG PHE A 813 -6.351 6.991 5.446 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.194 6.121 6.120 1.00 0.00 C ATOM 888 CD2 PHE A 813 -4.999 6.691 5.377 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.700 4.975 6.712 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.500 5.547 5.968 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.352 4.688 6.637 1.00 0.00 C ATOM 0 H PHE A 813 -6.508 7.814 2.393 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.586 7.084 4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.084 8.738 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.239 8.915 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.249 6.342 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.329 7.359 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.368 4.304 7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.445 5.324 5.908 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.963 3.793 7.100 1.00 0.00 H new ATOM 901 N SER A 814 -8.777 10.053 2.843 1.00 0.00 N ATOM 902 CA SER A 814 -9.618 11.229 2.688 1.00 0.00 C ATOM 903 C SER A 814 -10.778 10.946 1.729 1.00 0.00 C ATOM 904 O SER A 814 -11.856 11.524 1.847 1.00 0.00 O ATOM 905 CB SER A 814 -8.773 12.398 2.172 1.00 0.00 C ATOM 906 OG SER A 814 -7.528 12.466 2.857 1.00 0.00 O ATOM 0 H SER A 814 -8.021 9.985 2.161 1.00 0.00 H new ATOM 0 HA SER A 814 -10.040 11.490 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.598 12.281 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.318 13.333 2.306 1.00 0.00 H new ATOM 0 HG SER A 814 -6.968 11.707 2.593 1.00 0.00 H new ATOM 912 N SER A 815 -10.550 10.033 0.797 1.00 0.00 N ATOM 913 CA SER A 815 -11.539 9.706 -0.218 1.00 0.00 C ATOM 914 C SER A 815 -12.353 8.486 0.193 1.00 0.00 C ATOM 915 O SER A 815 -13.067 7.903 -0.626 1.00 0.00 O ATOM 916 CB SER A 815 -10.841 9.443 -1.555 1.00 0.00 C ATOM 917 OG SER A 815 -9.857 8.435 -1.427 1.00 0.00 O ATOM 0 H SER A 815 -9.682 9.502 0.723 1.00 0.00 H new ATOM 0 HA SER A 815 -12.219 10.551 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.578 9.144 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.379 10.363 -1.915 1.00 0.00 H new ATOM 0 HG SER A 815 -9.071 8.801 -0.969 1.00 0.00 H new ATOM 923 N MET A 816 -12.239 8.105 1.461 1.00 0.00 N ATOM 924 CA MET A 816 -12.917 6.924 1.977 1.00 0.00 C ATOM 925 C MET A 816 -14.424 7.103 1.917 1.00 0.00 C ATOM 926 O MET A 816 -15.027 7.732 2.785 1.00 0.00 O ATOM 927 CB MET A 816 -12.476 6.629 3.409 1.00 0.00 C ATOM 928 CG MET A 816 -12.389 5.145 3.713 1.00 0.00 C ATOM 929 SD MET A 816 -12.185 4.804 5.469 1.00 0.00 S ATOM 930 CE MET A 816 -10.407 4.618 5.561 1.00 0.00 C ATOM 0 H MET A 816 -11.679 8.602 2.154 1.00 0.00 H new ATOM 0 HA MET A 816 -12.643 6.076 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.503 7.087 3.584 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.177 7.095 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.292 4.652 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.551 4.715 3.164 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.073 4.809 6.581 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.132 3.603 5.274 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.931 5.328 4.884 1.00 0.00 H new ATOM 940 N GLY A 817 -15.022 6.549 0.878 1.00 0.00 N ATOM 941 CA GLY A 817 -16.441 6.696 0.670 1.00 0.00 C ATOM 942 C GLY A 817 -16.748 7.293 -0.684 1.00 0.00 C ATOM 943 O GLY A 817 -17.846 7.133 -1.201 1.00 0.00 O ATOM 0 H GLY A 817 -14.543 5.995 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.924 5.723 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.860 7.331 1.451 1.00 0.00 H new ATOM 947 N ASP A 818 -15.764 7.964 -1.272 1.00 0.00 N ATOM 948 CA ASP A 818 -15.949 8.602 -2.577 1.00 0.00 C ATOM 949 C ASP A 818 -15.893 7.570 -3.689 1.00 0.00 C ATOM 950 O ASP A 818 -16.280 7.837 -4.829 1.00 0.00 O ATOM 951 CB ASP A 818 -14.893 9.686 -2.806 1.00 0.00 C ATOM 952 CG ASP A 818 -15.505 11.049 -3.071 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.632 11.305 -2.594 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.857 11.874 -3.750 1.00 0.00 O ATOM 0 H ASP A 818 -14.834 8.082 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.933 9.072 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.244 9.747 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.265 9.403 -3.651 1.00 0.00 H new ATOM 959 N ALA A 819 -15.405 6.392 -3.323 1.00 0.00 N ATOM 960 CA ALA A 819 -15.334 5.224 -4.206 1.00 0.00 C ATOM 961 C ALA A 819 -14.349 5.415 -5.364 1.00 0.00 C ATOM 962 O ALA A 819 -13.269 4.822 -5.364 1.00 0.00 O ATOM 963 CB ALA A 819 -16.718 4.860 -4.733 1.00 0.00 C ATOM 0 H ALA A 819 -15.039 6.213 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.956 4.399 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.642 3.991 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.377 4.628 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.126 5.701 -5.294 1.00 0.00 H new ATOM 969 N GLY A 820 -14.721 6.249 -6.332 1.00 0.00 N ATOM 970 CA GLY A 820 -13.925 6.426 -7.534 1.00 0.00 C ATOM 971 C GLY A 820 -12.499 6.842 -7.246 1.00 0.00 C ATOM 972 O GLY A 820 -11.554 6.197 -7.708 1.00 0.00 O ATOM 0 H GLY A 820 -15.571 6.812 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.918 5.494 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.396 7.178 -8.167 1.00 0.00 H new ATOM 976 N GLU A 821 -12.343 7.913 -6.474 1.00 0.00 N ATOM 977 CA GLU A 821 -11.024 8.415 -6.104 1.00 0.00 C ATOM 978 C GLU A 821 -10.238 7.363 -5.327 1.00 0.00 C ATOM 979 O GLU A 821 -9.027 7.228 -5.495 1.00 0.00 O ATOM 980 CB GLU A 821 -11.158 9.687 -5.266 1.00 0.00 C ATOM 981 CG GLU A 821 -9.868 10.483 -5.157 1.00 0.00 C ATOM 982 CD GLU A 821 -9.438 11.084 -6.478 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.318 11.493 -7.266 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.216 11.163 -6.729 1.00 0.00 O ATOM 0 H GLU A 821 -13.119 8.453 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.481 8.645 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -11.930 10.320 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.495 9.419 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.999 11.280 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.076 9.834 -4.783 1.00 0.00 H new ATOM 991 N MET A 822 -10.941 6.608 -4.493 1.00 0.00 N ATOM 992 CA MET A 822 -10.322 5.561 -3.689 1.00 0.00 C ATOM 993 C MET A 822 -9.662 4.524 -4.586 1.00 0.00 C ATOM 994 O MET A 822 -8.490 4.196 -4.417 1.00 0.00 O ATOM 995 CB MET A 822 -11.365 4.881 -2.813 1.00 0.00 C ATOM 996 CG MET A 822 -11.355 5.341 -1.369 1.00 0.00 C ATOM 997 SD MET A 822 -12.752 4.683 -0.442 1.00 0.00 S ATOM 998 CE MET A 822 -12.675 2.965 -0.928 1.00 0.00 C ATOM 0 H MET A 822 -11.947 6.702 -4.355 1.00 0.00 H new ATOM 0 HA MET A 822 -9.564 6.021 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.353 5.064 -3.235 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.201 3.804 -2.841 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.425 5.027 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.378 6.430 -1.335 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.303 2.371 -0.264 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.030 2.861 -1.953 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.645 2.614 -0.863 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.425 4.023 -5.550 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.917 3.036 -6.492 1.00 0.00 C ATOM 1010 C VAL A 823 -8.841 3.651 -7.382 1.00 0.00 C ATOM 1011 O VAL A 823 -7.851 3.000 -7.712 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.051 2.461 -7.368 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.517 1.415 -8.334 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.147 1.867 -6.495 1.00 0.00 C ATOM 0 H VAL A 823 -11.399 4.285 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.482 2.221 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.474 3.278 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.336 1.026 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.769 1.869 -8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.062 0.599 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.939 1.466 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.731 1.067 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.557 2.642 -5.848 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.035 4.916 -7.746 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.067 5.645 -8.558 1.00 0.00 C ATOM 1026 C ARG A 824 -6.706 5.669 -7.873 1.00 0.00 C ATOM 1027 O ARG A 824 -5.706 5.228 -8.441 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.552 7.079 -8.799 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.556 7.946 -9.556 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.253 8.847 -10.564 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.569 8.135 -11.801 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.792 7.724 -12.137 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -10.833 8.006 -11.363 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.974 7.041 -13.260 1.00 0.00 N ATOM 0 H ARG A 824 -9.859 5.459 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.969 5.135 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.488 7.047 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.769 7.546 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.993 8.556 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.837 7.310 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -9.171 9.240 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.615 9.702 -10.789 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.805 7.940 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -10.700 8.541 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -11.766 7.688 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.179 6.831 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -10.909 6.725 -13.519 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.679 6.165 -6.642 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.440 6.255 -5.887 1.00 0.00 C ATOM 1050 C GLN A 825 -4.879 4.867 -5.596 1.00 0.00 C ATOM 1051 O GLN A 825 -3.668 4.669 -5.611 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.663 7.027 -4.589 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.220 8.422 -4.811 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.156 9.415 -5.232 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -3.987 9.288 -4.866 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.551 10.415 -6.004 1.00 0.00 N ATOM 0 H GLN A 825 -7.502 6.510 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.710 6.795 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.348 6.466 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.718 7.101 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -6.996 8.382 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.694 8.770 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.529 10.486 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -4.878 11.115 -6.317 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.764 3.907 -5.351 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.346 2.531 -5.103 1.00 0.00 C ATOM 1067 C ALA A 826 -4.594 1.964 -6.305 1.00 0.00 C ATOM 1068 O ALA A 826 -3.630 1.213 -6.149 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.550 1.662 -4.769 1.00 0.00 C ATOM 0 H ALA A 826 -6.773 4.055 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.669 2.530 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.221 0.639 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.042 2.049 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.251 1.675 -5.604 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.034 2.338 -7.502 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.373 1.906 -8.727 1.00 0.00 C ATOM 1077 C ARG A 827 -2.993 2.544 -8.836 1.00 0.00 C ATOM 1078 O ARG A 827 -2.028 1.897 -9.244 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.221 2.267 -9.947 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.459 1.401 -10.099 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.156 1.655 -11.422 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.804 0.648 -12.425 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.012 0.876 -13.473 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -5.504 2.083 -13.680 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -5.733 -0.110 -14.314 1.00 0.00 N ATOM 0 H ARG A 827 -5.845 2.939 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.256 0.823 -8.694 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.524 3.311 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.610 2.175 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.180 0.350 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.148 1.602 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.235 1.655 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.886 2.645 -11.791 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.190 -0.290 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -5.718 2.844 -13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -4.899 2.251 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.124 -1.039 -14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -5.128 0.061 -15.117 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.907 3.814 -8.454 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.632 4.522 -8.422 1.00 0.00 C ATOM 1101 C ILE A 828 -0.718 3.903 -7.367 1.00 0.00 C ATOM 1102 O ILE A 828 0.491 3.780 -7.569 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.826 6.027 -8.126 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.778 6.654 -9.147 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.488 6.755 -8.135 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.602 7.797 -8.591 1.00 0.00 C ATOM 0 H ILE A 828 -3.707 4.375 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.173 4.427 -9.406 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.265 6.126 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.198 7.015 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.450 5.883 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.648 7.812 -7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.164 6.328 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.021 6.646 -9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.252 8.190 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.209 7.437 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.938 8.587 -8.240 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.314 3.501 -6.251 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.597 2.818 -5.183 1.00 0.00 C ATOM 1120 C LEU A 829 0.060 1.551 -5.721 1.00 0.00 C ATOM 1121 O LEU A 829 1.251 1.323 -5.515 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.564 2.477 -4.042 1.00 0.00 C ATOM 1123 CG LEU A 829 -0.953 1.794 -2.812 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.359 2.457 -2.414 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -1.931 1.831 -1.653 1.00 0.00 C ATOM 0 H LEU A 829 -2.307 3.639 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 829 0.182 3.476 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.047 3.398 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.346 1.830 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.745 0.755 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.771 1.953 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 829 1.067 2.387 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.180 3.506 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.486 1.343 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.164 2.867 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.846 1.310 -1.933 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.721 0.751 -6.440 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.219 -0.482 -7.033 1.00 0.00 C ATOM 1139 C ALA A 830 0.923 -0.192 -8.001 1.00 0.00 C ATOM 1140 O ALA A 830 1.911 -0.926 -8.052 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.342 -1.224 -7.742 1.00 0.00 C ATOM 0 H ALA A 830 -1.707 0.936 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 830 0.166 -1.114 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.952 -2.143 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.126 -1.468 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.754 -0.593 -8.530 1.00 0.00 H new ATOM 1147 N GLN A 831 0.782 0.891 -8.755 1.00 0.00 N ATOM 1148 CA GLN A 831 1.802 1.308 -9.706 1.00 0.00 C ATOM 1149 C GLN A 831 3.091 1.702 -8.991 1.00 0.00 C ATOM 1150 O GLN A 831 4.188 1.315 -9.400 1.00 0.00 O ATOM 1151 CB GLN A 831 1.295 2.487 -10.534 1.00 0.00 C ATOM 1152 CG GLN A 831 1.500 2.311 -12.024 1.00 0.00 C ATOM 1153 CD GLN A 831 0.388 1.518 -12.669 1.00 0.00 C ATOM 1154 OE1 GLN A 831 -0.648 2.069 -13.040 1.00 0.00 O ATOM 1155 NE2 GLN A 831 0.595 0.222 -12.816 1.00 0.00 N ATOM 0 H GLN A 831 -0.036 1.500 -8.725 1.00 0.00 H new ATOM 0 HA GLN A 831 2.015 0.465 -10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.233 2.630 -10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.805 3.394 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.565 3.291 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.451 1.808 -12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.469 -0.195 -12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.119 -0.362 -13.251 1.00 0.00 H new ATOM 1164 N ALA A 832 2.951 2.466 -7.916 1.00 0.00 N ATOM 1165 CA ALA A 832 4.099 2.984 -7.185 1.00 0.00 C ATOM 1166 C ALA A 832 4.857 1.871 -6.465 1.00 0.00 C ATOM 1167 O ALA A 832 6.075 1.758 -6.601 1.00 0.00 O ATOM 1168 CB ALA A 832 3.655 4.049 -6.199 1.00 0.00 C ATOM 0 H ALA A 832 2.048 2.742 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 832 4.781 3.431 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.522 4.429 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.177 4.867 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.947 3.617 -5.492 1.00 0.00 H new ATOM 1174 N THR A 833 4.141 1.043 -5.713 1.00 0.00 N ATOM 1175 CA THR A 833 4.777 -0.010 -4.934 1.00 0.00 C ATOM 1176 C THR A 833 5.440 -1.058 -5.825 1.00 0.00 C ATOM 1177 O THR A 833 6.464 -1.633 -5.453 1.00 0.00 O ATOM 1178 CB THR A 833 3.779 -0.699 -3.990 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.887 0.272 -3.431 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.515 -1.418 -2.871 1.00 0.00 C ATOM 0 H THR A 833 3.125 1.081 -5.627 1.00 0.00 H new ATOM 0 HA THR A 833 5.548 0.477 -4.337 1.00 0.00 H new ATOM 0 HB THR A 833 3.208 -1.430 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.252 -0.174 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.793 -1.900 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.178 -2.171 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.103 -0.698 -2.301 1.00 0.00 H new ATOM 1188 N SER A 834 4.869 -1.298 -7.003 1.00 0.00 N ATOM 1189 CA SER A 834 5.462 -2.236 -7.950 1.00 0.00 C ATOM 1190 C SER A 834 6.864 -1.778 -8.336 1.00 0.00 C ATOM 1191 O SER A 834 7.782 -2.589 -8.476 1.00 0.00 O ATOM 1192 CB SER A 834 4.588 -2.368 -9.200 1.00 0.00 C ATOM 1193 OG SER A 834 3.347 -2.985 -8.895 1.00 0.00 O ATOM 0 H SER A 834 4.005 -0.860 -7.322 1.00 0.00 H new ATOM 0 HA SER A 834 5.528 -3.213 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.411 -1.382 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.113 -2.954 -9.954 1.00 0.00 H new ATOM 0 HG SER A 834 2.655 -2.298 -8.797 1.00 0.00 H new ATOM 1199 N ASP A 835 7.022 -0.468 -8.481 1.00 0.00 N ATOM 1200 CA ASP A 835 8.309 0.123 -8.818 1.00 0.00 C ATOM 1201 C ASP A 835 9.186 0.231 -7.574 1.00 0.00 C ATOM 1202 O ASP A 835 10.400 0.050 -7.637 1.00 0.00 O ATOM 1203 CB ASP A 835 8.101 1.507 -9.438 1.00 0.00 C ATOM 1204 CG ASP A 835 9.354 2.050 -10.093 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.088 1.266 -10.731 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.602 3.270 -9.982 1.00 0.00 O ATOM 0 H ASP A 835 6.267 0.209 -8.369 1.00 0.00 H new ATOM 0 HA ASP A 835 8.811 -0.519 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.304 1.452 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.771 2.201 -8.665 1.00 0.00 H new ATOM 1211 N LEU A 836 8.554 0.523 -6.442 1.00 0.00 N ATOM 1212 CA LEU A 836 9.252 0.652 -5.164 1.00 0.00 C ATOM 1213 C LEU A 836 9.935 -0.659 -4.779 1.00 0.00 C ATOM 1214 O LEU A 836 11.132 -0.683 -4.500 1.00 0.00 O ATOM 1215 CB LEU A 836 8.262 1.079 -4.075 1.00 0.00 C ATOM 1216 CG LEU A 836 8.754 0.951 -2.629 1.00 0.00 C ATOM 1217 CD1 LEU A 836 9.751 2.052 -2.309 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.582 1.000 -1.663 1.00 0.00 C ATOM 0 H LEU A 836 7.547 0.677 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 836 10.024 1.415 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 836 7.984 2.118 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.355 0.484 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 836 9.253 -0.011 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.091 1.947 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.605 1.976 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.273 3.024 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 836 7.949 0.908 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.057 1.948 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 836 6.898 0.179 -1.879 1.00 0.00 H new ATOM 1230 N VAL A 837 9.174 -1.747 -4.790 1.00 0.00 N ATOM 1231 CA VAL A 837 9.694 -3.055 -4.404 1.00 0.00 C ATOM 1232 C VAL A 837 10.816 -3.494 -5.347 1.00 0.00 C ATOM 1233 O VAL A 837 11.818 -4.069 -4.913 1.00 0.00 O ATOM 1234 CB VAL A 837 8.572 -4.118 -4.383 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.134 -5.523 -4.198 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.568 -3.799 -3.285 1.00 0.00 C ATOM 0 H VAL A 837 8.191 -1.750 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 837 10.099 -2.964 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 837 8.066 -4.090 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.316 -6.244 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.812 -5.755 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.676 -5.577 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.782 -4.554 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.074 -3.795 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.128 -2.819 -3.468 1.00 0.00 H new ATOM 1246 N ASN A 838 10.657 -3.191 -6.629 1.00 0.00 N ATOM 1247 CA ASN A 838 11.670 -3.531 -7.622 1.00 0.00 C ATOM 1248 C ASN A 838 12.955 -2.748 -7.367 1.00 0.00 C ATOM 1249 O ASN A 838 14.056 -3.285 -7.483 1.00 0.00 O ATOM 1250 CB ASN A 838 11.165 -3.252 -9.038 1.00 0.00 C ATOM 1251 CG ASN A 838 12.039 -3.904 -10.090 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.138 -5.128 -10.159 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.677 -3.094 -10.917 1.00 0.00 N ATOM 0 H ASN A 838 9.839 -2.712 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 838 11.880 -4.597 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.143 -3.618 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.136 -2.176 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.278 -3.479 -11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.568 -2.084 -10.827 1.00 0.00 H new ATOM 1260 N ALA A 839 12.802 -1.480 -7.005 1.00 0.00 N ATOM 1261 CA ALA A 839 13.942 -0.627 -6.700 1.00 0.00 C ATOM 1262 C ALA A 839 14.678 -1.124 -5.457 1.00 0.00 C ATOM 1263 O ALA A 839 15.901 -1.015 -5.362 1.00 0.00 O ATOM 1264 CB ALA A 839 13.487 0.811 -6.514 1.00 0.00 C ATOM 0 H ALA A 839 11.896 -1.019 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 839 14.636 -0.668 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.349 1.439 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.013 1.164 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.773 0.863 -5.692 1.00 0.00 H new ATOM 1270 N ILE A 840 13.926 -1.664 -4.507 1.00 0.00 N ATOM 1271 CA ILE A 840 14.518 -2.261 -3.315 1.00 0.00 C ATOM 1272 C ILE A 840 15.338 -3.487 -3.700 1.00 0.00 C ATOM 1273 O ILE A 840 16.460 -3.671 -3.228 1.00 0.00 O ATOM 1274 CB ILE A 840 13.434 -2.652 -2.282 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.125 -1.465 -1.376 1.00 0.00 C ATOM 1276 CG2 ILE A 840 13.863 -3.851 -1.445 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.694 -0.995 -1.466 1.00 0.00 C ATOM 0 H ILE A 840 12.907 -1.701 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 840 15.169 -1.519 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 840 12.535 -2.934 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.345 -1.739 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.787 -0.639 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.077 -4.096 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.040 -4.706 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 840 14.780 -3.610 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.546 -0.149 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.475 -0.690 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.026 -1.807 -1.179 1.00 0.00 H new ATOM 1289 N LYS A 841 14.774 -4.307 -4.579 1.00 0.00 N ATOM 1290 CA LYS A 841 15.443 -5.508 -5.059 1.00 0.00 C ATOM 1291 C LYS A 841 16.746 -5.150 -5.770 1.00 0.00 C ATOM 1292 O LYS A 841 17.719 -5.902 -5.726 1.00 0.00 O ATOM 1293 CB LYS A 841 14.518 -6.274 -6.007 1.00 0.00 C ATOM 1294 CG LYS A 841 14.968 -7.696 -6.290 1.00 0.00 C ATOM 1295 CD LYS A 841 14.234 -8.282 -7.484 1.00 0.00 C ATOM 1296 CE LYS A 841 14.674 -7.630 -8.784 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.541 -8.549 -9.942 1.00 0.00 N ATOM 0 H LYS A 841 13.846 -4.159 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 841 15.681 -6.140 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.516 -6.299 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.449 -5.731 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 841 16.041 -7.709 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 841 14.791 -8.317 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.417 -9.355 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.160 -8.148 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.077 -6.736 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.711 -7.308 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.852 -8.064 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.131 -9.391 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 13.547 -8.837 -10.044 1.00 0.00 H new ATOM 1508 N LEU A 856 15.735 -5.988 3.497 1.00 0.00 N ATOM 1509 CA LEU A 856 15.262 -5.109 2.457 1.00 0.00 C ATOM 1510 C LEU A 856 14.120 -5.745 1.690 1.00 0.00 C ATOM 1511 O LEU A 856 13.058 -5.148 1.514 1.00 0.00 O ATOM 1512 CB LEU A 856 16.428 -4.799 1.525 1.00 0.00 C ATOM 1513 CG LEU A 856 17.062 -3.437 1.781 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.485 -3.360 1.220 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.187 -2.342 1.191 1.00 0.00 C ATOM 0 HA LEU A 856 14.883 -4.187 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.188 -5.572 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.080 -4.841 0.493 1.00 0.00 H new ATOM 0 HG LEU A 856 17.135 -3.293 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.903 -2.374 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.105 -4.121 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.461 -3.530 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.645 -1.371 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.086 -2.496 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.202 -2.374 1.656 1.00 0.00 H new ATOM 1527 N LEU A 857 14.347 -6.967 1.272 1.00 0.00 N ATOM 1528 CA LEU A 857 13.387 -7.695 0.474 1.00 0.00 C ATOM 1529 C LEU A 857 12.218 -8.200 1.321 1.00 0.00 C ATOM 1530 O LEU A 857 11.122 -8.409 0.804 1.00 0.00 O ATOM 1531 CB LEU A 857 14.107 -8.827 -0.248 1.00 0.00 C ATOM 1532 CG LEU A 857 15.398 -8.384 -0.948 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.485 -9.442 -0.796 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.130 -8.107 -2.420 1.00 0.00 C ATOM 0 H LEU A 857 15.202 -7.486 1.475 1.00 0.00 H new ATOM 0 HA LEU A 857 12.950 -7.027 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.344 -9.612 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.434 -9.262 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 857 15.747 -7.466 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.392 -9.107 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.695 -9.599 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.147 -10.378 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.054 -7.793 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.758 -9.013 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.386 -7.316 -2.512 1.00 0.00 H new ATOM 1546 N SER A 858 12.448 -8.381 2.621 1.00 0.00 N ATOM 1547 CA SER A 858 11.375 -8.756 3.536 1.00 0.00 C ATOM 1548 C SER A 858 10.394 -7.602 3.700 1.00 0.00 C ATOM 1549 O SER A 858 9.180 -7.786 3.625 1.00 0.00 O ATOM 1550 CB SER A 858 11.939 -9.158 4.900 1.00 0.00 C ATOM 1551 OG SER A 858 13.233 -9.719 4.778 1.00 0.00 O ATOM 0 H SER A 858 13.362 -8.274 3.061 1.00 0.00 H new ATOM 0 HA SER A 858 10.851 -9.612 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.979 -8.284 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.272 -9.878 5.374 1.00 0.00 H new ATOM 0 HG SER A 858 13.568 -9.965 5.666 1.00 0.00 H new ATOM 1557 N ALA A 859 10.931 -6.405 3.909 1.00 0.00 N ATOM 1558 CA ALA A 859 10.109 -5.211 4.047 1.00 0.00 C ATOM 1559 C ALA A 859 9.347 -4.937 2.755 1.00 0.00 C ATOM 1560 O ALA A 859 8.168 -4.581 2.781 1.00 0.00 O ATOM 1561 CB ALA A 859 10.969 -4.016 4.429 1.00 0.00 C ATOM 0 H ALA A 859 11.934 -6.237 3.987 1.00 0.00 H new ATOM 0 HA ALA A 859 9.383 -5.378 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.340 -3.132 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.467 -4.215 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.717 -3.844 3.655 1.00 0.00 H new ATOM 1567 N ALA A 860 10.023 -5.129 1.629 1.00 0.00 N ATOM 1568 CA ALA A 860 9.404 -4.950 0.322 1.00 0.00 C ATOM 1569 C ALA A 860 8.323 -6.001 0.084 1.00 0.00 C ATOM 1570 O ALA A 860 7.334 -5.746 -0.603 1.00 0.00 O ATOM 1571 CB ALA A 860 10.459 -5.010 -0.771 1.00 0.00 C ATOM 0 H ALA A 860 11.003 -5.410 1.595 1.00 0.00 H new ATOM 0 HA ALA A 860 8.930 -3.969 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.984 -4.875 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.192 -4.219 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.958 -5.979 -0.742 1.00 0.00 H new ATOM 1577 N LYS A 861 8.518 -7.179 0.666 1.00 0.00 N ATOM 1578 CA LYS A 861 7.543 -8.258 0.566 1.00 0.00 C ATOM 1579 C LYS A 861 6.229 -7.850 1.223 1.00 0.00 C ATOM 1580 O LYS A 861 5.149 -8.193 0.741 1.00 0.00 O ATOM 1581 CB LYS A 861 8.084 -9.527 1.224 1.00 0.00 C ATOM 1582 CG LYS A 861 7.973 -10.763 0.351 1.00 0.00 C ATOM 1583 CD LYS A 861 8.573 -11.980 1.034 1.00 0.00 C ATOM 1584 CE LYS A 861 8.923 -13.066 0.030 1.00 0.00 C ATOM 1585 NZ LYS A 861 7.712 -13.753 -0.492 1.00 0.00 N ATOM 0 H LYS A 861 9.346 -7.411 1.214 1.00 0.00 H new ATOM 0 HA LYS A 861 7.360 -8.459 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.130 -9.371 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.544 -9.701 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.925 -10.954 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 861 8.482 -10.588 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.469 -11.687 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 861 7.867 -12.373 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.477 -12.628 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.580 -13.797 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 7.995 -14.486 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 7.196 -14.194 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.097 -13.060 -0.964 1.00 0.00 H new ATOM 1599 N ILE A 862 6.329 -7.120 2.328 1.00 0.00 N ATOM 1600 CA ILE A 862 5.148 -6.592 2.994 1.00 0.00 C ATOM 1601 C ILE A 862 4.549 -5.455 2.174 1.00 0.00 C ATOM 1602 O ILE A 862 3.331 -5.356 2.031 1.00 0.00 O ATOM 1603 CB ILE A 862 5.461 -6.077 4.416 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.403 -7.036 5.146 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.172 -5.896 5.208 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.231 -6.369 6.223 1.00 0.00 C ATOM 0 H ILE A 862 7.212 -6.882 2.779 1.00 0.00 H new ATOM 0 HA ILE A 862 4.436 -7.413 3.080 1.00 0.00 H new ATOM 0 HB ILE A 862 5.958 -5.111 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.816 -7.837 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.071 -7.499 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.408 -5.533 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.532 -5.174 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.653 -6.852 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.875 -7.109 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.845 -5.586 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.570 -5.930 6.971 1.00 0.00 H new ATOM 1618 N LEU A 863 5.423 -4.613 1.624 1.00 0.00 N ATOM 1619 CA LEU A 863 5.007 -3.492 0.786 1.00 0.00 C ATOM 1620 C LEU A 863 4.099 -3.961 -0.348 1.00 0.00 C ATOM 1621 O LEU A 863 2.964 -3.498 -0.483 1.00 0.00 O ATOM 1622 CB LEU A 863 6.234 -2.789 0.193 1.00 0.00 C ATOM 1623 CG LEU A 863 6.544 -1.396 0.750 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.262 -0.622 1.022 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.382 -1.506 2.012 1.00 0.00 C ATOM 0 H LEU A 863 6.433 -4.689 1.746 1.00 0.00 H new ATOM 0 HA LEU A 863 4.453 -2.795 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.105 -3.425 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.094 -2.705 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 863 7.115 -0.847 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.509 0.364 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.700 -0.511 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.658 -1.163 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.594 -0.508 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.835 -2.075 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.319 -2.014 1.783 1.00 0.00 H new ATOM 1637 N ALA A 864 4.604 -4.891 -1.151 1.00 0.00 N ATOM 1638 CA ALA A 864 3.872 -5.392 -2.307 1.00 0.00 C ATOM 1639 C ALA A 864 2.574 -6.077 -1.889 1.00 0.00 C ATOM 1640 O ALA A 864 1.523 -5.856 -2.495 1.00 0.00 O ATOM 1641 CB ALA A 864 4.744 -6.351 -3.105 1.00 0.00 C ATOM 0 H ALA A 864 5.523 -5.315 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 864 3.612 -4.541 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.186 -6.719 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.638 -5.830 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.033 -7.191 -2.474 1.00 0.00 H new ATOM 1647 N ASP A 865 2.650 -6.891 -0.845 1.00 0.00 N ATOM 1648 CA ASP A 865 1.494 -7.646 -0.377 1.00 0.00 C ATOM 1649 C ASP A 865 0.396 -6.722 0.138 1.00 0.00 C ATOM 1650 O ASP A 865 -0.774 -6.873 -0.221 1.00 0.00 O ATOM 1651 CB ASP A 865 1.902 -8.624 0.724 1.00 0.00 C ATOM 1652 CG ASP A 865 0.758 -9.516 1.153 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.181 -10.210 0.292 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.425 -9.526 2.355 1.00 0.00 O ATOM 0 H ASP A 865 3.501 -7.046 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 865 1.102 -8.204 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.728 -9.241 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.267 -8.066 1.586 1.00 0.00 H new ATOM 1659 N ALA A 866 0.777 -5.763 0.975 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.179 -4.825 1.554 1.00 0.00 C ATOM 1661 C ALA A 866 -0.849 -3.989 0.471 1.00 0.00 C ATOM 1662 O ALA A 866 -2.033 -3.667 0.564 1.00 0.00 O ATOM 1663 CB ALA A 866 0.511 -3.926 2.568 1.00 0.00 C ATOM 0 H ALA A 866 1.743 -5.614 1.268 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.952 -5.400 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.214 -3.232 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.937 -4.536 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.306 -3.365 2.076 1.00 0.00 H new ATOM 1669 N THR A 867 -0.088 -3.659 -0.565 1.00 0.00 N ATOM 1670 CA THR A 867 -0.604 -2.880 -1.680 1.00 0.00 C ATOM 1671 C THR A 867 -1.740 -3.616 -2.391 1.00 0.00 C ATOM 1672 O THR A 867 -2.737 -3.004 -2.779 1.00 0.00 O ATOM 1673 CB THR A 867 0.517 -2.548 -2.681 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.540 -1.790 -2.021 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.015 -1.758 -3.866 1.00 0.00 C ATOM 0 H THR A 867 0.894 -3.921 -0.655 1.00 0.00 H new ATOM 0 HA THR A 867 -0.999 -1.949 -1.274 1.00 0.00 H new ATOM 0 HB THR A 867 0.928 -3.486 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.980 -2.350 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.802 -1.540 -4.554 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.777 -2.343 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.452 -0.824 -3.514 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.603 -4.930 -2.539 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.648 -5.729 -3.167 1.00 0.00 C ATOM 1685 C ALA A 868 -3.904 -5.720 -2.311 1.00 0.00 C ATOM 1686 O ALA A 868 -5.016 -5.635 -2.825 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.184 -7.156 -3.398 1.00 0.00 C ATOM 0 H ALA A 868 -0.786 -5.460 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.874 -5.285 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.985 -7.727 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.310 -7.153 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.924 -7.613 -2.443 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.715 -5.795 -0.998 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.831 -5.750 -0.065 1.00 0.00 C ATOM 1695 C LYS A 869 -5.517 -4.391 -0.132 1.00 0.00 C ATOM 1696 O LYS A 869 -6.742 -4.302 -0.077 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.352 -6.025 1.362 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.451 -6.529 2.283 1.00 0.00 C ATOM 1699 CD LYS A 869 -4.915 -7.527 3.298 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.782 -8.918 2.698 1.00 0.00 C ATOM 1701 NZ LYS A 869 -3.612 -9.650 3.250 1.00 0.00 N ATOM 0 H LYS A 869 -2.800 -5.887 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.546 -6.523 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.548 -6.761 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.931 -5.110 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.905 -5.686 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.237 -6.998 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.943 -7.192 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.581 -7.564 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.691 -9.486 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.683 -8.838 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -3.556 -10.593 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -2.741 -9.121 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -3.719 -9.749 4.280 1.00 0.00 H new ATOM 1715 N MET A 870 -4.715 -3.340 -0.261 1.00 0.00 N ATOM 1716 CA MET A 870 -5.234 -1.984 -0.386 1.00 0.00 C ATOM 1717 C MET A 870 -6.105 -1.855 -1.629 1.00 0.00 C ATOM 1718 O MET A 870 -7.230 -1.361 -1.557 1.00 0.00 O ATOM 1719 CB MET A 870 -4.085 -0.971 -0.436 1.00 0.00 C ATOM 1720 CG MET A 870 -4.052 -0.042 0.766 1.00 0.00 C ATOM 1721 SD MET A 870 -4.435 1.674 0.361 1.00 0.00 S ATOM 1722 CE MET A 870 -6.121 1.535 -0.223 1.00 0.00 C ATOM 0 H MET A 870 -3.697 -3.403 -0.282 1.00 0.00 H new ATOM 0 HA MET A 870 -5.847 -1.772 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.138 -1.508 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.174 -0.376 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.764 -0.399 1.510 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.063 -0.087 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 870 -6.160 1.783 -1.284 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.474 0.514 -0.075 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.757 2.223 0.334 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.588 -2.321 -2.760 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.320 -2.256 -4.019 1.00 0.00 C ATOM 1734 C VAL A 871 -7.561 -3.151 -3.974 1.00 0.00 C ATOM 1735 O VAL A 871 -8.625 -2.785 -4.481 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.403 -2.625 -5.221 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.732 -3.990 -5.814 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.485 -1.551 -6.292 1.00 0.00 C ATOM 0 H VAL A 871 -4.664 -2.748 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.653 -1.228 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.384 -2.683 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -5.062 -4.195 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.607 -4.758 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.763 -3.994 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.839 -1.820 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.514 -1.464 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.161 -0.597 -5.876 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.426 -4.308 -3.333 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.517 -5.262 -3.227 1.00 0.00 C ATOM 1750 C GLU A 872 -9.636 -4.712 -2.347 1.00 0.00 C ATOM 1751 O GLU A 872 -10.809 -4.739 -2.724 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.999 -6.590 -2.664 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.642 -7.813 -3.297 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.710 -8.427 -2.416 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -9.405 -8.774 -1.255 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.864 -8.558 -2.872 1.00 0.00 O ATOM 0 H GLU A 872 -6.564 -4.606 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.924 -5.434 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.920 -6.641 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.176 -6.613 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.081 -7.534 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.873 -8.558 -3.504 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.266 -4.197 -1.181 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.237 -3.654 -0.240 1.00 0.00 C ATOM 1765 C ALA A 873 -10.912 -2.412 -0.802 1.00 0.00 C ATOM 1766 O ALA A 873 -12.118 -2.229 -0.639 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.572 -3.338 1.090 1.00 0.00 C ATOM 0 H ALA A 873 -8.298 -4.144 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 873 -11.004 -4.411 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.313 -2.933 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.145 -4.249 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.781 -2.604 0.936 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.134 -1.564 -1.470 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.667 -0.344 -2.062 1.00 0.00 C ATOM 1775 C ALA A 874 -11.745 -0.665 -3.090 1.00 0.00 C ATOM 1776 O ALA A 874 -12.846 -0.123 -3.034 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.554 0.474 -2.701 1.00 0.00 C ATOM 0 H ALA A 874 -9.133 -1.701 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.118 0.247 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.973 1.381 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.819 0.743 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -9.072 -0.115 -3.481 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.427 -1.566 -4.013 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.367 -1.958 -5.058 1.00 0.00 C ATOM 1785 C LYS A 875 -13.564 -2.699 -4.469 1.00 0.00 C ATOM 1786 O LYS A 875 -14.687 -2.568 -4.956 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.666 -2.839 -6.094 1.00 0.00 C ATOM 1788 CG LYS A 875 -11.178 -2.073 -7.311 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.753 -2.456 -7.681 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.719 -3.405 -8.866 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.930 -2.853 -9.998 1.00 0.00 N ATOM 0 H LYS A 875 -10.525 -2.039 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.730 -1.052 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.818 -3.335 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.353 -3.621 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.839 -2.271 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -11.227 -1.003 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.184 -1.557 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.268 -2.925 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.290 -4.358 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.737 -3.607 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.932 -3.532 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.354 -1.957 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -7.951 -2.684 -9.689 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.315 -3.469 -3.415 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.367 -4.247 -2.791 1.00 0.00 C ATOM 1807 C GLY A 876 -15.352 -3.391 -2.017 1.00 0.00 C ATOM 1808 O GLY A 876 -16.563 -3.586 -2.113 1.00 0.00 O ATOM 0 H GLY A 876 -12.398 -3.568 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.903 -4.806 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.921 -4.978 -2.117 1.00 0.00 H new