USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot -160:sc= 1.19 USER MOD Set 1.2: A 867 THR OG1 : rot 60:sc= 1.91 USER MOD Set 2.1: A 811 ASN : amide:sc= -0.107 K(o=0.82,f=-0.48!) USER MOD Set 2.2: A 825 GLN : amide:sc= 0.927 K(o=0.82,f=-3.7) USER MOD Set 3.1: A 776 GLN : amide:sc= 0.0472 K(o=0.06,f=-1.6) USER MOD Set 3.2: A 779 ASN : amide:sc= 0.0126 K(o=0.06,f=-1.2) USER MOD Single : A 772 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 775 THR OG1 : rot 73:sc= 0.894 USER MOD Single : A 802 THR OG1 : rot 140:sc= 0.00358 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 814 SER OG : rot 180:sc= 0.084 USER MOD Single : A 815 SER OG : rot -172:sc= -3.11! USER MOD Single : A 816 MET CE :methyl 176:sc= -0.624 (180deg=-0.648) USER MOD Single : A 822 MET CE :methyl 163:sc= -1.79 (180deg=-2.49) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 834 SER OG : rot 68:sc= 1.26 USER MOD Single : A 838 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.49) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.321) USER MOD Single : A 870 MET CE :methyl 168:sc= -3.46! (180deg=-3.89!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.816 -2.184 5.935 1.00 0.00 N ATOM 221 CA GLY A 766 -11.866 -2.882 5.092 1.00 0.00 C ATOM 222 C GLY A 766 -10.744 -1.986 4.621 1.00 0.00 C ATOM 223 O GLY A 766 -9.569 -2.265 4.868 1.00 0.00 O ATOM 0 HA2 GLY A 766 -11.447 -3.725 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.386 -3.293 4.227 1.00 0.00 H new ATOM 227 N VAL A 767 -11.107 -0.895 3.956 1.00 0.00 N ATOM 228 CA VAL A 767 -10.126 0.015 3.379 1.00 0.00 C ATOM 229 C VAL A 767 -9.276 0.668 4.463 1.00 0.00 C ATOM 230 O VAL A 767 -8.065 0.802 4.309 1.00 0.00 O ATOM 231 CB VAL A 767 -10.801 1.113 2.532 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.778 1.830 1.668 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.911 0.524 1.674 1.00 0.00 C ATOM 0 H VAL A 767 -12.077 -0.619 3.803 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.484 -0.583 2.732 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.245 1.842 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.275 2.600 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.023 2.291 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.300 1.114 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.374 1.315 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.494 -0.229 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.662 0.063 2.316 1.00 0.00 H new ATOM 243 N GLY A 768 -9.913 1.060 5.560 1.00 0.00 N ATOM 244 CA GLY A 768 -9.194 1.692 6.653 1.00 0.00 C ATOM 245 C GLY A 768 -8.100 0.807 7.216 1.00 0.00 C ATOM 246 O GLY A 768 -6.962 1.249 7.394 1.00 0.00 O ATOM 0 H GLY A 768 -10.916 0.952 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.757 2.627 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.896 1.946 7.447 1.00 0.00 H new ATOM 250 N ALA A 769 -8.435 -0.449 7.476 1.00 0.00 N ATOM 251 CA ALA A 769 -7.480 -1.401 8.026 1.00 0.00 C ATOM 252 C ALA A 769 -6.369 -1.708 7.027 1.00 0.00 C ATOM 253 O ALA A 769 -5.200 -1.836 7.400 1.00 0.00 O ATOM 254 CB ALA A 769 -8.190 -2.680 8.437 1.00 0.00 C ATOM 0 H ALA A 769 -9.366 -0.834 7.314 1.00 0.00 H new ATOM 0 HA ALA A 769 -7.024 -0.951 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -7.465 -3.383 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.941 -2.452 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.674 -3.123 7.567 1.00 0.00 H new ATOM 260 N ALA A 770 -6.738 -1.817 5.757 1.00 0.00 N ATOM 261 CA ALA A 770 -5.778 -2.117 4.704 1.00 0.00 C ATOM 262 C ALA A 770 -4.834 -0.940 4.468 1.00 0.00 C ATOM 263 O ALA A 770 -3.616 -1.114 4.414 1.00 0.00 O ATOM 264 CB ALA A 770 -6.506 -2.485 3.420 1.00 0.00 C ATOM 0 H ALA A 770 -7.698 -1.702 5.431 1.00 0.00 H new ATOM 0 HA ALA A 770 -5.176 -2.968 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.778 -2.707 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -7.130 -3.361 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.132 -1.650 3.105 1.00 0.00 H new ATOM 270 N ALA A 771 -5.401 0.256 4.346 1.00 0.00 N ATOM 271 CA ALA A 771 -4.620 1.466 4.117 1.00 0.00 C ATOM 272 C ALA A 771 -3.626 1.699 5.250 1.00 0.00 C ATOM 273 O ALA A 771 -2.464 2.044 5.018 1.00 0.00 O ATOM 274 CB ALA A 771 -5.542 2.665 3.963 1.00 0.00 C ATOM 0 H ALA A 771 -6.407 0.413 4.403 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.054 1.337 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.947 3.562 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.208 2.505 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.133 2.789 4.871 1.00 0.00 H new ATOM 280 N THR A 772 -4.087 1.494 6.478 1.00 0.00 N ATOM 281 CA THR A 772 -3.242 1.646 7.655 1.00 0.00 C ATOM 282 C THR A 772 -2.041 0.696 7.592 1.00 0.00 C ATOM 283 O THR A 772 -0.917 1.078 7.926 1.00 0.00 O ATOM 284 CB THR A 772 -4.050 1.391 8.944 1.00 0.00 C ATOM 285 OG1 THR A 772 -5.129 2.334 9.032 1.00 0.00 O ATOM 286 CG2 THR A 772 -3.172 1.503 10.183 1.00 0.00 C ATOM 0 H THR A 772 -5.048 1.220 6.685 1.00 0.00 H new ATOM 0 HA THR A 772 -2.873 2.671 7.670 1.00 0.00 H new ATOM 0 HB THR A 772 -4.445 0.376 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.769 2.167 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.773 1.318 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.369 0.768 10.128 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.744 2.504 10.236 1.00 0.00 H new ATOM 294 N ALA A 773 -2.283 -0.526 7.128 1.00 0.00 N ATOM 295 CA ALA A 773 -1.232 -1.531 7.024 1.00 0.00 C ATOM 296 C ALA A 773 -0.144 -1.084 6.054 1.00 0.00 C ATOM 297 O ALA A 773 1.042 -1.158 6.369 1.00 0.00 O ATOM 298 CB ALA A 773 -1.815 -2.869 6.590 1.00 0.00 C ATOM 0 H ALA A 773 -3.201 -0.844 6.817 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.780 -1.651 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -1.017 -3.607 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.550 -3.200 7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.296 -2.758 5.618 1.00 0.00 H new ATOM 304 N VAL A 774 -0.557 -0.602 4.884 1.00 0.00 N ATOM 305 CA VAL A 774 0.383 -0.145 3.864 1.00 0.00 C ATOM 306 C VAL A 774 1.227 1.012 4.378 1.00 0.00 C ATOM 307 O VAL A 774 2.450 1.011 4.235 1.00 0.00 O ATOM 308 CB VAL A 774 -0.343 0.299 2.577 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.654 0.595 1.466 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.331 -0.763 2.135 1.00 0.00 C ATOM 0 H VAL A 774 -1.538 -0.518 4.619 1.00 0.00 H new ATOM 0 HA VAL A 774 1.028 -0.992 3.631 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.891 1.216 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.118 0.906 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.325 1.393 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.234 -0.302 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.835 -0.435 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.800 -1.695 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -2.069 -0.923 2.921 1.00 0.00 H new ATOM 320 N THR A 775 0.567 1.987 4.991 1.00 0.00 N ATOM 321 CA THR A 775 1.253 3.152 5.533 1.00 0.00 C ATOM 322 C THR A 775 2.329 2.741 6.538 1.00 0.00 C ATOM 323 O THR A 775 3.450 3.252 6.508 1.00 0.00 O ATOM 324 CB THR A 775 0.264 4.117 6.215 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.924 4.257 5.423 1.00 0.00 O ATOM 326 CG2 THR A 775 0.900 5.484 6.422 1.00 0.00 C ATOM 0 H THR A 775 -0.444 1.993 5.125 1.00 0.00 H new ATOM 0 HA THR A 775 1.725 3.662 4.693 1.00 0.00 H new ATOM 0 HB THR A 775 0.002 3.699 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.459 3.438 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.184 6.149 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.783 5.383 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.189 5.901 5.457 1.00 0.00 H new ATOM 334 N GLN A 776 1.995 1.798 7.409 1.00 0.00 N ATOM 335 CA GLN A 776 2.922 1.364 8.444 1.00 0.00 C ATOM 336 C GLN A 776 3.970 0.411 7.884 1.00 0.00 C ATOM 337 O GLN A 776 5.076 0.318 8.413 1.00 0.00 O ATOM 338 CB GLN A 776 2.167 0.717 9.602 1.00 0.00 C ATOM 339 CG GLN A 776 1.917 1.673 10.758 1.00 0.00 C ATOM 340 CD GLN A 776 1.380 3.017 10.298 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.139 3.958 10.053 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.066 3.112 10.169 1.00 0.00 N ATOM 0 H GLN A 776 1.093 1.321 7.419 1.00 0.00 H new ATOM 0 HA GLN A 776 3.442 2.245 8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.212 0.338 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.734 -0.141 9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.208 1.221 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 776 2.847 1.826 11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.527 2.310 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -0.354 3.988 9.857 1.00 0.00 H new ATOM 351 N ALA A 777 3.624 -0.303 6.821 1.00 0.00 N ATOM 352 CA ALA A 777 4.587 -1.157 6.136 1.00 0.00 C ATOM 353 C ALA A 777 5.634 -0.296 5.443 1.00 0.00 C ATOM 354 O ALA A 777 6.830 -0.585 5.494 1.00 0.00 O ATOM 355 CB ALA A 777 3.890 -2.065 5.132 1.00 0.00 C ATOM 0 H ALA A 777 2.688 -0.309 6.415 1.00 0.00 H new ATOM 0 HA ALA A 777 5.079 -1.791 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.629 -2.692 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.169 -2.697 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.371 -1.457 4.391 1.00 0.00 H new ATOM 361 N LEU A 778 5.170 0.773 4.809 1.00 0.00 N ATOM 362 CA LEU A 778 6.053 1.737 4.174 1.00 0.00 C ATOM 363 C LEU A 778 6.925 2.420 5.217 1.00 0.00 C ATOM 364 O LEU A 778 8.130 2.587 5.023 1.00 0.00 O ATOM 365 CB LEU A 778 5.230 2.779 3.417 1.00 0.00 C ATOM 366 CG LEU A 778 6.047 3.774 2.597 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.177 3.291 1.165 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.409 5.153 2.644 1.00 0.00 C ATOM 0 H LEU A 778 4.178 0.994 4.722 1.00 0.00 H new ATOM 0 HA LEU A 778 6.697 1.212 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.541 2.261 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.624 3.333 4.134 1.00 0.00 H new ATOM 0 HG LEU A 778 7.045 3.847 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.762 4.009 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.677 2.323 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.186 3.194 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.005 5.850 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.400 5.101 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.364 5.498 3.677 1.00 0.00 H new ATOM 380 N ASN A 779 6.299 2.808 6.325 1.00 0.00 N ATOM 381 CA ASN A 779 7.008 3.419 7.445 1.00 0.00 C ATOM 382 C ASN A 779 8.098 2.486 7.954 1.00 0.00 C ATOM 383 O ASN A 779 9.232 2.901 8.176 1.00 0.00 O ATOM 384 CB ASN A 779 6.032 3.737 8.581 1.00 0.00 C ATOM 385 CG ASN A 779 5.904 5.224 8.846 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.845 5.990 8.632 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.739 5.642 9.316 1.00 0.00 N ATOM 0 H ASN A 779 5.294 2.709 6.471 1.00 0.00 H new ATOM 0 HA ASN A 779 7.466 4.345 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.051 3.331 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.365 3.238 9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.595 6.632 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.986 4.974 9.479 1.00 0.00 H new ATOM 394 N GLU A 780 7.744 1.214 8.103 1.00 0.00 N ATOM 395 CA GLU A 780 8.677 0.198 8.571 1.00 0.00 C ATOM 396 C GLU A 780 9.882 0.108 7.644 1.00 0.00 C ATOM 397 O GLU A 780 11.026 0.060 8.095 1.00 0.00 O ATOM 398 CB GLU A 780 7.978 -1.162 8.627 1.00 0.00 C ATOM 399 CG GLU A 780 8.740 -2.198 9.436 1.00 0.00 C ATOM 400 CD GLU A 780 8.063 -3.553 9.453 1.00 0.00 C ATOM 401 OE1 GLU A 780 6.815 -3.607 9.420 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.782 -4.576 9.524 1.00 0.00 O ATOM 0 H GLU A 780 6.808 0.861 7.904 1.00 0.00 H new ATOM 0 HA GLU A 780 9.019 0.477 9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 780 6.985 -1.034 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.840 -1.534 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.744 -2.305 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 780 8.851 -1.841 10.460 1.00 0.00 H new ATOM 409 N LEU A 781 9.613 0.086 6.346 1.00 0.00 N ATOM 410 CA LEU A 781 10.668 0.018 5.349 1.00 0.00 C ATOM 411 C LEU A 781 11.561 1.248 5.430 1.00 0.00 C ATOM 412 O LEU A 781 12.783 1.128 5.486 1.00 0.00 O ATOM 413 CB LEU A 781 10.070 -0.100 3.950 1.00 0.00 C ATOM 414 CG LEU A 781 11.088 -0.127 2.813 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.243 -1.540 2.280 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.671 0.829 1.706 1.00 0.00 C ATOM 0 H LEU A 781 8.669 0.114 5.960 1.00 0.00 H new ATOM 0 HA LEU A 781 11.272 -0.866 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.471 -1.009 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.391 0.737 3.790 1.00 0.00 H new ATOM 0 HG LEU A 781 12.054 0.201 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.972 -1.545 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.586 -2.195 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.283 -1.895 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.407 0.798 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.697 0.533 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.610 1.842 2.104 1.00 0.00 H new ATOM 428 N LEU A 782 10.941 2.424 5.449 1.00 0.00 N ATOM 429 CA LEU A 782 11.675 3.683 5.524 1.00 0.00 C ATOM 430 C LEU A 782 12.559 3.717 6.763 1.00 0.00 C ATOM 431 O LEU A 782 13.735 4.076 6.690 1.00 0.00 O ATOM 432 CB LEU A 782 10.705 4.865 5.546 1.00 0.00 C ATOM 433 CG LEU A 782 10.202 5.312 4.174 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.992 6.218 4.321 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.311 6.018 3.409 1.00 0.00 C ATOM 0 H LEU A 782 9.927 2.531 5.413 1.00 0.00 H new ATOM 0 HA LEU A 782 12.308 3.760 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.846 4.600 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.196 5.710 6.029 1.00 0.00 H new ATOM 0 HG LEU A 782 9.902 4.430 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.647 6.527 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.194 5.679 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.265 7.099 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.938 6.331 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.640 6.893 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.151 5.337 3.275 1.00 0.00 H new ATOM 701 N ALA A 801 9.237 7.245 -4.464 1.00 0.00 N ATOM 702 CA ALA A 801 8.355 6.086 -4.431 1.00 0.00 C ATOM 703 C ALA A 801 7.550 6.053 -3.140 1.00 0.00 C ATOM 704 O ALA A 801 6.325 5.925 -3.167 1.00 0.00 O ATOM 705 CB ALA A 801 9.154 4.801 -4.591 1.00 0.00 C ATOM 0 HA ALA A 801 7.658 6.168 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.478 3.946 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.681 4.817 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.876 4.718 -3.779 1.00 0.00 H new ATOM 711 N THR A 802 8.239 6.192 -2.014 1.00 0.00 N ATOM 712 CA THR A 802 7.586 6.163 -0.716 1.00 0.00 C ATOM 713 C THR A 802 6.624 7.340 -0.571 1.00 0.00 C ATOM 714 O THR A 802 5.527 7.195 -0.024 1.00 0.00 O ATOM 715 CB THR A 802 8.615 6.187 0.432 1.00 0.00 C ATOM 716 OG1 THR A 802 9.617 7.178 0.177 1.00 0.00 O ATOM 717 CG2 THR A 802 9.281 4.829 0.585 1.00 0.00 C ATOM 0 H THR A 802 9.249 6.326 -1.976 1.00 0.00 H new ATOM 0 HA THR A 802 7.024 5.231 -0.654 1.00 0.00 H new ATOM 0 HB THR A 802 8.087 6.430 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 802 9.838 7.642 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.003 4.868 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.525 4.076 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.793 4.568 -0.341 1.00 0.00 H new ATOM 725 N ASP A 803 7.036 8.495 -1.085 1.00 0.00 N ATOM 726 CA ASP A 803 6.195 9.687 -1.092 1.00 0.00 C ATOM 727 C ASP A 803 4.891 9.419 -1.827 1.00 0.00 C ATOM 728 O ASP A 803 3.811 9.730 -1.327 1.00 0.00 O ATOM 729 CB ASP A 803 6.915 10.856 -1.764 1.00 0.00 C ATOM 730 CG ASP A 803 6.041 12.090 -1.856 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.755 12.703 -0.809 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.639 12.453 -2.982 1.00 0.00 O ATOM 0 H ASP A 803 7.955 8.631 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 803 5.980 9.945 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.819 11.094 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.229 10.560 -2.765 1.00 0.00 H new ATOM 737 N THR A 804 4.999 8.830 -3.012 1.00 0.00 N ATOM 738 CA THR A 804 3.831 8.522 -3.823 1.00 0.00 C ATOM 739 C THR A 804 2.874 7.594 -3.074 1.00 0.00 C ATOM 740 O THR A 804 1.672 7.845 -3.037 1.00 0.00 O ATOM 741 CB THR A 804 4.238 7.888 -5.167 1.00 0.00 C ATOM 742 OG1 THR A 804 5.242 8.698 -5.796 1.00 0.00 O ATOM 743 CG2 THR A 804 3.039 7.755 -6.095 1.00 0.00 C ATOM 0 H THR A 804 5.887 8.556 -3.432 1.00 0.00 H new ATOM 0 HA THR A 804 3.317 9.462 -4.027 1.00 0.00 H new ATOM 0 HB THR A 804 4.633 6.891 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.501 8.293 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.355 7.305 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.284 7.124 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.617 8.741 -6.288 1.00 0.00 H new ATOM 751 N ILE A 805 3.416 6.549 -2.455 1.00 0.00 N ATOM 752 CA ILE A 805 2.599 5.617 -1.687 1.00 0.00 C ATOM 753 C ILE A 805 1.895 6.335 -0.544 1.00 0.00 C ATOM 754 O ILE A 805 0.674 6.249 -0.413 1.00 0.00 O ATOM 755 CB ILE A 805 3.438 4.444 -1.125 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.726 3.432 -2.229 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.724 3.759 0.035 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.186 3.085 -2.352 1.00 0.00 C ATOM 0 H ILE A 805 4.412 6.328 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 805 1.855 5.207 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 805 4.378 4.850 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.158 2.522 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.373 3.831 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.339 2.940 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.556 4.480 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.766 3.367 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.321 2.361 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.757 3.986 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.538 2.656 -1.414 1.00 0.00 H new ATOM 770 N LEU A 806 2.662 7.056 0.271 1.00 0.00 N ATOM 771 CA LEU A 806 2.093 7.778 1.408 1.00 0.00 C ATOM 772 C LEU A 806 1.009 8.738 0.957 1.00 0.00 C ATOM 773 O LEU A 806 -0.103 8.691 1.464 1.00 0.00 O ATOM 774 CB LEU A 806 3.160 8.558 2.170 1.00 0.00 C ATOM 775 CG LEU A 806 3.422 8.068 3.595 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.593 8.812 4.207 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.178 8.243 4.453 1.00 0.00 C ATOM 0 H LEU A 806 3.672 7.156 0.167 1.00 0.00 H new ATOM 0 HA LEU A 806 1.662 7.028 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.093 8.512 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.863 9.606 2.211 1.00 0.00 H new ATOM 0 HG LEU A 806 3.670 7.007 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.764 8.450 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.486 8.643 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.371 9.879 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.381 7.890 5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.904 9.297 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.357 7.667 4.025 1.00 0.00 H new ATOM 789 N THR A 807 1.334 9.587 -0.006 1.00 0.00 N ATOM 790 CA THR A 807 0.388 10.573 -0.503 1.00 0.00 C ATOM 791 C THR A 807 -0.874 9.895 -1.031 1.00 0.00 C ATOM 792 O THR A 807 -1.984 10.321 -0.734 1.00 0.00 O ATOM 793 CB THR A 807 1.019 11.435 -1.615 1.00 0.00 C ATOM 794 OG1 THR A 807 2.323 11.872 -1.209 1.00 0.00 O ATOM 795 CG2 THR A 807 0.151 12.644 -1.928 1.00 0.00 C ATOM 0 H THR A 807 2.247 9.613 -0.459 1.00 0.00 H new ATOM 0 HA THR A 807 0.120 11.221 0.331 1.00 0.00 H new ATOM 0 HB THR A 807 1.099 10.825 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.998 11.247 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.620 13.234 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.832 12.310 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 807 0.042 13.255 -1.032 1.00 0.00 H new ATOM 803 N VAL A 808 -0.696 8.814 -1.779 1.00 0.00 N ATOM 804 CA VAL A 808 -1.820 8.085 -2.346 1.00 0.00 C ATOM 805 C VAL A 808 -2.676 7.449 -1.245 1.00 0.00 C ATOM 806 O VAL A 808 -3.895 7.620 -1.217 1.00 0.00 O ATOM 807 CB VAL A 808 -1.325 6.997 -3.328 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.269 5.808 -3.369 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.139 7.581 -4.721 1.00 0.00 C ATOM 0 H VAL A 808 0.218 8.423 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.437 8.798 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.361 6.639 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.888 5.065 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.341 5.366 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.256 6.138 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.790 6.802 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.090 7.976 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.404 8.385 -4.683 1.00 0.00 H new ATOM 819 N THR A 809 -2.031 6.732 -0.331 1.00 0.00 N ATOM 820 CA THR A 809 -2.742 6.056 0.746 1.00 0.00 C ATOM 821 C THR A 809 -3.380 7.069 1.693 1.00 0.00 C ATOM 822 O THR A 809 -4.509 6.883 2.151 1.00 0.00 O ATOM 823 CB THR A 809 -1.806 5.120 1.538 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.920 4.441 0.639 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.602 4.092 2.324 1.00 0.00 C ATOM 0 H THR A 809 -1.019 6.605 -0.315 1.00 0.00 H new ATOM 0 HA THR A 809 -3.526 5.453 0.289 1.00 0.00 H new ATOM 0 HB THR A 809 -1.232 5.729 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.153 5.017 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.918 3.445 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.262 4.602 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.198 3.491 1.637 1.00 0.00 H new ATOM 833 N GLU A 810 -2.661 8.152 1.959 1.00 0.00 N ATOM 834 CA GLU A 810 -3.170 9.219 2.802 1.00 0.00 C ATOM 835 C GLU A 810 -4.340 9.921 2.108 1.00 0.00 C ATOM 836 O GLU A 810 -5.259 10.410 2.762 1.00 0.00 O ATOM 837 CB GLU A 810 -2.038 10.203 3.152 1.00 0.00 C ATOM 838 CG GLU A 810 -2.448 11.287 4.137 1.00 0.00 C ATOM 839 CD GLU A 810 -2.418 12.679 3.539 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.532 12.808 2.304 1.00 0.00 O ATOM 841 OE2 GLU A 810 -2.298 13.655 4.310 1.00 0.00 O ATOM 0 H GLU A 810 -1.720 8.312 1.600 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.542 8.799 3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.200 9.644 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.682 10.674 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.454 11.077 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -1.783 11.255 5.000 1.00 0.00 H new ATOM 848 N ASN A 811 -4.313 9.933 0.777 1.00 0.00 N ATOM 849 CA ASN A 811 -5.411 10.483 -0.018 1.00 0.00 C ATOM 850 C ASN A 811 -6.653 9.614 0.107 1.00 0.00 C ATOM 851 O ASN A 811 -7.776 10.110 0.067 1.00 0.00 O ATOM 852 CB ASN A 811 -5.027 10.566 -1.497 1.00 0.00 C ATOM 853 CG ASN A 811 -4.347 11.865 -1.868 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.591 12.910 -1.264 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.490 11.806 -2.873 1.00 0.00 N ATOM 0 H ASN A 811 -3.539 9.566 0.223 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.618 11.483 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.365 9.735 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.924 10.447 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.001 12.648 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.318 10.918 -3.345 1.00 0.00 H new ATOM 862 N ILE A 812 -6.451 8.310 0.245 1.00 0.00 N ATOM 863 CA ILE A 812 -7.564 7.376 0.368 1.00 0.00 C ATOM 864 C ILE A 812 -8.324 7.615 1.672 1.00 0.00 C ATOM 865 O ILE A 812 -9.541 7.451 1.737 1.00 0.00 O ATOM 866 CB ILE A 812 -7.077 5.904 0.287 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.775 5.528 -1.167 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.106 4.944 0.872 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.478 4.768 -1.341 1.00 0.00 C ATOM 0 H ILE A 812 -5.529 7.875 0.275 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.240 7.552 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.165 5.820 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.595 4.924 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.737 6.437 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.733 3.922 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.282 5.192 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.040 5.030 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.331 4.536 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.648 5.378 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.519 3.842 -0.768 1.00 0.00 H new ATOM 881 N PHE A 813 -7.603 8.039 2.702 1.00 0.00 N ATOM 882 CA PHE A 813 -8.218 8.344 3.986 1.00 0.00 C ATOM 883 C PHE A 813 -9.146 9.551 3.865 1.00 0.00 C ATOM 884 O PHE A 813 -10.130 9.668 4.597 1.00 0.00 O ATOM 885 CB PHE A 813 -7.144 8.604 5.044 1.00 0.00 C ATOM 886 CG PHE A 813 -6.479 7.353 5.544 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.227 6.338 6.122 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.109 7.191 5.433 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.618 5.186 6.581 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.494 6.041 5.890 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.250 5.038 6.464 1.00 0.00 C ATOM 0 H PHE A 813 -6.593 8.179 2.673 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.811 7.483 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.386 9.266 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.595 9.128 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.297 6.449 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.514 7.972 4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.211 4.403 7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.424 5.927 5.798 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.772 4.138 6.821 1.00 0.00 H new ATOM 901 N SER A 814 -8.831 10.443 2.937 1.00 0.00 N ATOM 902 CA SER A 814 -9.654 11.617 2.693 1.00 0.00 C ATOM 903 C SER A 814 -10.755 11.305 1.678 1.00 0.00 C ATOM 904 O SER A 814 -11.885 11.780 1.803 1.00 0.00 O ATOM 905 CB SER A 814 -8.778 12.765 2.187 1.00 0.00 C ATOM 906 OG SER A 814 -7.445 12.327 1.977 1.00 0.00 O ATOM 0 H SER A 814 -8.008 10.375 2.339 1.00 0.00 H new ATOM 0 HA SER A 814 -10.128 11.913 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.187 13.158 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.788 13.581 2.909 1.00 0.00 H new ATOM 0 HG SER A 814 -6.902 13.075 1.652 1.00 0.00 H new ATOM 912 N SER A 815 -10.422 10.483 0.689 1.00 0.00 N ATOM 913 CA SER A 815 -11.352 10.149 -0.385 1.00 0.00 C ATOM 914 C SER A 815 -12.380 9.116 0.068 1.00 0.00 C ATOM 915 O SER A 815 -13.304 8.788 -0.676 1.00 0.00 O ATOM 916 CB SER A 815 -10.585 9.626 -1.602 1.00 0.00 C ATOM 917 OG SER A 815 -9.695 8.589 -1.238 1.00 0.00 O ATOM 0 H SER A 815 -9.510 10.033 0.608 1.00 0.00 H new ATOM 0 HA SER A 815 -11.887 11.058 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.289 9.259 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.028 10.442 -2.063 1.00 0.00 H new ATOM 0 HG SER A 815 -9.129 8.360 -2.004 1.00 0.00 H new ATOM 923 N MET A 816 -12.203 8.602 1.287 1.00 0.00 N ATOM 924 CA MET A 816 -13.125 7.629 1.864 1.00 0.00 C ATOM 925 C MET A 816 -14.564 8.116 1.746 1.00 0.00 C ATOM 926 O MET A 816 -14.958 9.110 2.366 1.00 0.00 O ATOM 927 CB MET A 816 -12.777 7.364 3.330 1.00 0.00 C ATOM 928 CG MET A 816 -12.394 5.921 3.605 1.00 0.00 C ATOM 929 SD MET A 816 -11.351 5.740 5.063 1.00 0.00 S ATOM 930 CE MET A 816 -10.042 4.712 4.402 1.00 0.00 C ATOM 0 H MET A 816 -11.422 8.848 1.896 1.00 0.00 H new ATOM 0 HA MET A 816 -13.027 6.697 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.953 8.014 3.624 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.631 7.631 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.299 5.328 3.736 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.871 5.517 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.275 4.566 5.162 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.451 3.745 4.109 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.602 5.198 3.531 1.00 0.00 H new ATOM 940 N GLY A 817 -15.331 7.419 0.926 1.00 0.00 N ATOM 941 CA GLY A 817 -16.684 7.831 0.626 1.00 0.00 C ATOM 942 C GLY A 817 -16.907 7.898 -0.867 1.00 0.00 C ATOM 943 O GLY A 817 -17.989 7.586 -1.361 1.00 0.00 O ATOM 0 H GLY A 817 -15.035 6.563 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.390 7.130 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.879 8.807 1.071 1.00 0.00 H new ATOM 947 N ASP A 818 -15.867 8.295 -1.587 1.00 0.00 N ATOM 948 CA ASP A 818 -15.898 8.314 -3.042 1.00 0.00 C ATOM 949 C ASP A 818 -15.093 7.145 -3.580 1.00 0.00 C ATOM 950 O ASP A 818 -13.871 7.226 -3.721 1.00 0.00 O ATOM 951 CB ASP A 818 -15.345 9.633 -3.592 1.00 0.00 C ATOM 952 CG ASP A 818 -15.524 9.754 -5.096 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.435 9.103 -5.653 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.762 10.512 -5.732 1.00 0.00 O ATOM 0 H ASP A 818 -14.985 8.610 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.935 8.226 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.847 10.467 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.286 9.710 -3.348 1.00 0.00 H new ATOM 959 N ALA A 819 -15.793 6.059 -3.869 1.00 0.00 N ATOM 960 CA ALA A 819 -15.168 4.820 -4.312 1.00 0.00 C ATOM 961 C ALA A 819 -14.324 5.026 -5.565 1.00 0.00 C ATOM 962 O ALA A 819 -13.248 4.446 -5.693 1.00 0.00 O ATOM 963 CB ALA A 819 -16.232 3.765 -4.558 1.00 0.00 C ATOM 0 H ALA A 819 -16.810 6.010 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.498 4.482 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.758 2.841 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.782 3.581 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.921 4.115 -5.327 1.00 0.00 H new ATOM 969 N GLY A 820 -14.812 5.862 -6.476 1.00 0.00 N ATOM 970 CA GLY A 820 -14.097 6.120 -7.716 1.00 0.00 C ATOM 971 C GLY A 820 -12.694 6.657 -7.489 1.00 0.00 C ATOM 972 O GLY A 820 -11.725 6.138 -8.047 1.00 0.00 O ATOM 0 H GLY A 820 -15.693 6.368 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.038 5.198 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.662 6.835 -8.313 1.00 0.00 H new ATOM 976 N GLU A 821 -12.580 7.689 -6.661 1.00 0.00 N ATOM 977 CA GLU A 821 -11.286 8.294 -6.360 1.00 0.00 C ATOM 978 C GLU A 821 -10.431 7.336 -5.540 1.00 0.00 C ATOM 979 O GLU A 821 -9.213 7.269 -5.714 1.00 0.00 O ATOM 980 CB GLU A 821 -11.476 9.613 -5.605 1.00 0.00 C ATOM 981 CG GLU A 821 -10.172 10.326 -5.272 1.00 0.00 C ATOM 982 CD GLU A 821 -9.479 10.889 -6.496 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.179 11.358 -7.418 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.230 10.877 -6.535 1.00 0.00 O ATOM 0 H GLU A 821 -13.369 8.126 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.774 8.501 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.099 10.277 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.018 9.416 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.375 11.136 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.501 9.630 -4.769 1.00 0.00 H new ATOM 991 N MET A 822 -11.078 6.588 -4.656 1.00 0.00 N ATOM 992 CA MET A 822 -10.385 5.605 -3.835 1.00 0.00 C ATOM 993 C MET A 822 -9.731 4.547 -4.716 1.00 0.00 C ATOM 994 O MET A 822 -8.569 4.196 -4.518 1.00 0.00 O ATOM 995 CB MET A 822 -11.356 4.946 -2.858 1.00 0.00 C ATOM 996 CG MET A 822 -11.449 5.662 -1.520 1.00 0.00 C ATOM 997 SD MET A 822 -12.835 5.086 -0.522 1.00 0.00 S ATOM 998 CE MET A 822 -12.617 3.312 -0.648 1.00 0.00 C ATOM 0 H MET A 822 -12.083 6.644 -4.489 1.00 0.00 H new ATOM 0 HA MET A 822 -9.610 6.117 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.347 4.910 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.045 3.915 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.521 5.514 -0.967 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.550 6.734 -1.692 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.189 2.818 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.968 2.971 -1.622 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.561 3.066 -0.536 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.481 4.054 -5.697 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.956 3.089 -6.654 1.00 0.00 C ATOM 1010 C VAL A 823 -8.845 3.724 -7.485 1.00 0.00 C ATOM 1011 O VAL A 823 -7.824 3.092 -7.755 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.065 2.548 -7.587 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.475 1.751 -8.742 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.048 1.693 -6.804 1.00 0.00 C ATOM 0 H VAL A 823 -11.457 4.309 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.554 2.249 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.597 3.403 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.280 1.384 -9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.813 2.391 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.909 0.906 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.822 1.321 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.521 0.851 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.508 2.293 -6.019 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.049 4.982 -7.871 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.039 5.737 -8.606 1.00 0.00 C ATOM 1026 C ARG A 824 -6.711 5.721 -7.856 1.00 0.00 C ATOM 1027 O ARG A 824 -5.691 5.300 -8.400 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.504 7.184 -8.823 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.387 8.138 -9.227 1.00 0.00 C ATOM 1030 CD ARG A 824 -6.978 7.957 -10.681 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.748 9.243 -11.337 1.00 0.00 N ATOM 1032 CZ ARG A 824 -5.553 9.677 -11.745 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -4.494 8.877 -11.696 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -5.423 10.902 -12.238 1.00 0.00 N ATOM 0 H ARG A 824 -9.908 5.500 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.898 5.265 -9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.275 7.196 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.965 7.548 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.713 9.166 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.522 7.975 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -6.072 7.354 -10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.756 7.410 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.554 9.849 -11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -4.590 7.924 -11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -3.584 9.215 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -6.237 11.514 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -4.509 11.232 -12.549 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.733 6.166 -6.604 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.530 6.197 -5.791 1.00 0.00 C ATOM 1050 C GLN A 825 -4.991 4.791 -5.554 1.00 0.00 C ATOM 1051 O GLN A 825 -3.788 4.569 -5.628 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.811 6.896 -4.465 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.332 8.311 -4.645 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.259 9.271 -5.127 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.111 9.216 -4.688 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.628 10.164 -6.032 1.00 0.00 N ATOM 0 H GLN A 825 -7.571 6.509 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.767 6.759 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.540 6.314 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.896 6.923 -3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.155 8.303 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.736 8.669 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.590 10.178 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -4.951 10.838 -6.389 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.882 3.840 -5.297 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.479 2.451 -5.086 1.00 0.00 C ATOM 1067 C ALA A 826 -4.708 1.915 -6.292 1.00 0.00 C ATOM 1068 O ALA A 826 -3.747 1.159 -6.144 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.696 1.583 -4.803 1.00 0.00 C ATOM 0 H ALA A 826 -6.887 4.003 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.817 2.417 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.379 0.552 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.201 1.946 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.381 1.629 -5.650 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.131 2.325 -7.483 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.457 1.937 -8.714 1.00 0.00 C ATOM 1077 C ARG A 827 -3.044 2.511 -8.758 1.00 0.00 C ATOM 1078 O ARG A 827 -2.090 1.822 -9.134 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.251 2.420 -9.925 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.436 1.536 -10.278 1.00 0.00 C ATOM 1081 CD ARG A 827 -6.959 1.838 -11.673 1.00 0.00 C ATOM 1082 NE ARG A 827 -5.887 2.239 -12.583 1.00 0.00 N ATOM 1083 CZ ARG A 827 -5.845 3.411 -13.220 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -6.839 4.282 -13.085 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -4.810 3.708 -13.995 1.00 0.00 N ATOM 0 H ARG A 827 -5.941 2.929 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.392 0.849 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.609 3.431 -9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.584 2.477 -10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.141 0.488 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.233 1.685 -9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.462 0.957 -12.071 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.704 2.632 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.123 1.582 -12.741 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -7.638 4.056 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -6.803 5.177 -13.574 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -4.046 3.041 -14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -4.778 4.604 -14.482 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.915 3.776 -8.364 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.613 4.432 -8.310 1.00 0.00 C ATOM 1101 C ILE A 828 -0.754 3.822 -7.209 1.00 0.00 C ATOM 1102 O ILE A 828 0.464 3.722 -7.343 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.742 5.955 -8.074 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.810 6.553 -8.989 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.406 6.644 -8.309 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.523 7.746 -8.391 1.00 0.00 C ATOM 0 H ILE A 828 -3.696 4.366 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.137 4.276 -9.278 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.042 6.116 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.345 6.852 -9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.544 5.784 -9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.514 7.715 -8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.337 6.241 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.083 6.471 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.266 8.117 -9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.017 7.448 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.800 8.533 -8.179 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.401 3.408 -6.125 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.721 2.732 -5.028 1.00 0.00 C ATOM 1120 C LEU A 829 -0.015 1.482 -5.540 1.00 0.00 C ATOM 1121 O LEU A 829 1.167 1.273 -5.273 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.727 2.360 -3.932 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.130 1.839 -2.619 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.096 2.649 -2.219 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.175 1.877 -1.516 1.00 0.00 C ATOM 0 H LEU A 829 -2.404 3.531 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 829 0.023 3.407 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.332 3.239 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.401 1.600 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.817 0.806 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.500 2.260 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.852 2.575 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.186 3.693 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.739 1.505 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.514 2.903 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.022 1.251 -1.796 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.743 0.673 -6.303 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.181 -0.533 -6.895 1.00 0.00 C ATOM 1139 C ALA A 830 1.013 -0.189 -7.780 1.00 0.00 C ATOM 1140 O ALA A 830 2.036 -0.873 -7.759 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.240 -1.278 -7.695 1.00 0.00 C ATOM 0 H ALA A 830 -1.726 0.832 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 830 0.163 -1.182 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.802 -2.176 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.063 -1.557 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.614 -0.634 -8.491 1.00 0.00 H new ATOM 1147 N GLN A 831 0.882 0.894 -8.534 1.00 0.00 N ATOM 1148 CA GLN A 831 1.942 1.353 -9.421 1.00 0.00 C ATOM 1149 C GLN A 831 3.165 1.805 -8.625 1.00 0.00 C ATOM 1150 O GLN A 831 4.303 1.489 -8.977 1.00 0.00 O ATOM 1151 CB GLN A 831 1.434 2.505 -10.288 1.00 0.00 C ATOM 1152 CG GLN A 831 1.922 2.451 -11.723 1.00 0.00 C ATOM 1153 CD GLN A 831 0.878 1.899 -12.671 1.00 0.00 C ATOM 1154 OE1 GLN A 831 -0.218 2.446 -12.799 1.00 0.00 O ATOM 1155 NE2 GLN A 831 1.210 0.808 -13.341 1.00 0.00 N ATOM 0 H GLN A 831 0.044 1.476 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 831 2.236 0.520 -10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.344 2.497 -10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.748 3.449 -9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 831 2.206 3.453 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.818 1.833 -11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.129 0.386 -13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.547 0.389 -13.993 1.00 0.00 H new ATOM 1164 N ALA A 832 2.920 2.540 -7.550 1.00 0.00 N ATOM 1165 CA ALA A 832 3.991 3.087 -6.731 1.00 0.00 C ATOM 1166 C ALA A 832 4.767 1.988 -6.016 1.00 0.00 C ATOM 1167 O ALA A 832 5.997 1.972 -6.042 1.00 0.00 O ATOM 1168 CB ALA A 832 3.428 4.082 -5.728 1.00 0.00 C ATOM 0 H ALA A 832 1.982 2.772 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 832 4.687 3.604 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.239 4.485 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.935 4.895 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.707 3.580 -5.083 1.00 0.00 H new ATOM 1174 N THR A 833 4.051 1.064 -5.391 1.00 0.00 N ATOM 1175 CA THR A 833 4.691 -0.022 -4.661 1.00 0.00 C ATOM 1176 C THR A 833 5.476 -0.943 -5.593 1.00 0.00 C ATOM 1177 O THR A 833 6.547 -1.433 -5.231 1.00 0.00 O ATOM 1178 CB THR A 833 3.662 -0.842 -3.869 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.749 0.045 -3.212 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.352 -1.722 -2.839 1.00 0.00 C ATOM 0 H THR A 833 3.031 1.044 -5.374 1.00 0.00 H new ATOM 0 HA THR A 833 5.390 0.437 -3.962 1.00 0.00 H new ATOM 0 HB THR A 833 3.118 -1.484 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.305 -0.428 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.604 -2.294 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.034 -2.407 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.913 -1.097 -2.144 1.00 0.00 H new ATOM 1188 N SER A 834 4.962 -1.160 -6.800 1.00 0.00 N ATOM 1189 CA SER A 834 5.660 -1.985 -7.781 1.00 0.00 C ATOM 1190 C SER A 834 6.986 -1.337 -8.170 1.00 0.00 C ATOM 1191 O SER A 834 7.940 -2.016 -8.550 1.00 0.00 O ATOM 1192 CB SER A 834 4.789 -2.199 -9.020 1.00 0.00 C ATOM 1193 OG SER A 834 3.552 -2.802 -8.673 1.00 0.00 O ATOM 0 H SER A 834 4.072 -0.780 -7.121 1.00 0.00 H new ATOM 0 HA SER A 834 5.865 -2.957 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.607 -1.243 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.317 -2.829 -9.736 1.00 0.00 H new ATOM 0 HG SER A 834 3.016 -2.171 -8.149 1.00 0.00 H new ATOM 1199 N ASP A 835 7.032 -0.016 -8.074 1.00 0.00 N ATOM 1200 CA ASP A 835 8.251 0.730 -8.335 1.00 0.00 C ATOM 1201 C ASP A 835 9.171 0.679 -7.121 1.00 0.00 C ATOM 1202 O ASP A 835 10.365 0.422 -7.247 1.00 0.00 O ATOM 1203 CB ASP A 835 7.923 2.181 -8.690 1.00 0.00 C ATOM 1204 CG ASP A 835 9.162 3.019 -8.923 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.021 2.609 -9.731 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.276 4.098 -8.307 1.00 0.00 O ATOM 0 H ASP A 835 6.233 0.563 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 835 8.763 0.273 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.302 2.200 -9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.336 2.624 -7.886 1.00 0.00 H new ATOM 1211 N LEU A 836 8.592 0.909 -5.944 1.00 0.00 N ATOM 1212 CA LEU A 836 9.344 0.901 -4.692 1.00 0.00 C ATOM 1213 C LEU A 836 10.029 -0.443 -4.466 1.00 0.00 C ATOM 1214 O LEU A 836 11.235 -0.499 -4.234 1.00 0.00 O ATOM 1215 CB LEU A 836 8.410 1.220 -3.516 1.00 0.00 C ATOM 1216 CG LEU A 836 8.955 0.903 -2.121 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.077 1.864 -1.759 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.840 0.975 -1.092 1.00 0.00 C ATOM 0 H LEU A 836 7.597 1.104 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 836 10.117 1.667 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.159 2.280 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.481 0.667 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 836 9.358 -0.110 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.454 1.625 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.885 1.770 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.698 2.886 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.241 0.747 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.413 1.978 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.065 0.251 -1.344 1.00 0.00 H new ATOM 1230 N VAL A 837 9.261 -1.519 -4.560 1.00 0.00 N ATOM 1231 CA VAL A 837 9.785 -2.855 -4.319 1.00 0.00 C ATOM 1232 C VAL A 837 10.868 -3.207 -5.338 1.00 0.00 C ATOM 1233 O VAL A 837 11.899 -3.780 -4.988 1.00 0.00 O ATOM 1234 CB VAL A 837 8.658 -3.914 -4.348 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.223 -5.327 -4.310 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.700 -3.695 -3.186 1.00 0.00 C ATOM 0 H VAL A 837 8.271 -1.492 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 837 10.229 -2.859 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 837 8.112 -3.798 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.405 -6.047 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.868 -5.484 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.802 -5.463 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.911 -4.447 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.244 -3.779 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.257 -2.702 -3.262 1.00 0.00 H new ATOM 1246 N ASN A 838 10.645 -2.833 -6.595 1.00 0.00 N ATOM 1247 CA ASN A 838 11.616 -3.100 -7.653 1.00 0.00 C ATOM 1248 C ASN A 838 12.884 -2.281 -7.444 1.00 0.00 C ATOM 1249 O ASN A 838 13.990 -2.761 -7.693 1.00 0.00 O ATOM 1250 CB ASN A 838 11.023 -2.790 -9.027 1.00 0.00 C ATOM 1251 CG ASN A 838 11.733 -3.536 -10.140 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.000 -4.735 -10.032 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.040 -2.840 -11.222 1.00 0.00 N ATOM 0 H ASN A 838 9.804 -2.346 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 838 11.869 -4.159 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.965 -3.054 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.085 -1.718 -9.214 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.514 -3.294 -12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.803 -1.849 -11.275 1.00 0.00 H new ATOM 1260 N ALA A 839 12.713 -1.044 -6.982 1.00 0.00 N ATOM 1261 CA ALA A 839 13.837 -0.167 -6.679 1.00 0.00 C ATOM 1262 C ALA A 839 14.749 -0.810 -5.647 1.00 0.00 C ATOM 1263 O ALA A 839 15.956 -0.926 -5.854 1.00 0.00 O ATOM 1264 CB ALA A 839 13.339 1.177 -6.169 1.00 0.00 C ATOM 0 H ALA A 839 11.799 -0.626 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 839 14.404 -0.006 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.191 1.820 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.717 1.648 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.752 1.027 -5.263 1.00 0.00 H new ATOM 1270 N ILE A 840 14.152 -1.241 -4.545 1.00 0.00 N ATOM 1271 CA ILE A 840 14.889 -1.895 -3.477 1.00 0.00 C ATOM 1272 C ILE A 840 15.481 -3.212 -3.958 1.00 0.00 C ATOM 1273 O ILE A 840 16.610 -3.552 -3.620 1.00 0.00 O ATOM 1274 CB ILE A 840 13.986 -2.159 -2.258 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.233 -0.886 -1.880 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.806 -2.661 -1.080 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.998 -1.138 -1.056 1.00 0.00 C ATOM 0 H ILE A 840 13.152 -1.148 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 840 15.695 -1.224 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 840 13.263 -2.931 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.902 -0.229 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 840 12.951 -0.357 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.149 -2.841 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.307 -3.589 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.551 -1.913 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.515 -0.189 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.309 -1.769 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 840 12.275 -1.639 -0.129 1.00 0.00 H new ATOM 1289 N LYS A 841 14.715 -3.943 -4.760 1.00 0.00 N ATOM 1290 CA LYS A 841 15.171 -5.209 -5.316 1.00 0.00 C ATOM 1291 C LYS A 841 16.465 -5.020 -6.101 1.00 0.00 C ATOM 1292 O LYS A 841 17.442 -5.745 -5.894 1.00 0.00 O ATOM 1293 CB LYS A 841 14.091 -5.808 -6.218 1.00 0.00 C ATOM 1294 CG LYS A 841 14.371 -7.239 -6.644 1.00 0.00 C ATOM 1295 CD LYS A 841 14.024 -7.455 -8.108 1.00 0.00 C ATOM 1296 CE LYS A 841 14.297 -8.886 -8.536 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.247 -9.045 -10.014 1.00 0.00 N ATOM 0 H LYS A 841 13.771 -3.678 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 841 15.366 -5.895 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.135 -5.775 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.989 -5.187 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.423 -7.471 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.792 -7.925 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.973 -7.218 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.606 -6.771 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 841 15.277 -9.193 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.564 -9.548 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.439 -10.036 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 13.304 -8.777 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 14.964 -8.433 -10.453 1.00 0.00 H new ATOM 1508 N LEU A 856 15.974 -5.951 3.342 1.00 0.00 N ATOM 1509 CA LEU A 856 15.325 -4.959 2.520 1.00 0.00 C ATOM 1510 C LEU A 856 14.225 -5.593 1.684 1.00 0.00 C ATOM 1511 O LEU A 856 13.127 -5.052 1.554 1.00 0.00 O ATOM 1512 CB LEU A 856 16.378 -4.330 1.612 1.00 0.00 C ATOM 1513 CG LEU A 856 17.417 -3.456 2.327 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.480 -2.959 1.356 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.739 -2.274 2.997 1.00 0.00 C ATOM 0 HA LEU A 856 14.868 -4.198 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.900 -5.126 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.872 -3.724 0.860 1.00 0.00 H new ATOM 0 HG LEU A 856 17.904 -4.069 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.202 -2.343 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.991 -3.811 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.008 -2.367 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.488 -1.662 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.227 -1.674 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 856 16.015 -2.636 3.727 1.00 0.00 H new ATOM 1527 N LEU A 857 14.529 -6.761 1.153 1.00 0.00 N ATOM 1528 CA LEU A 857 13.624 -7.462 0.264 1.00 0.00 C ATOM 1529 C LEU A 857 12.469 -8.106 1.032 1.00 0.00 C ATOM 1530 O LEU A 857 11.366 -8.245 0.502 1.00 0.00 O ATOM 1531 CB LEU A 857 14.416 -8.494 -0.531 1.00 0.00 C ATOM 1532 CG LEU A 857 15.699 -7.936 -1.159 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.717 -9.043 -1.399 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.375 -7.219 -2.459 1.00 0.00 C ATOM 0 H LEU A 857 15.408 -7.250 1.325 1.00 0.00 H new ATOM 0 HA LEU A 857 13.173 -6.749 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.675 -9.325 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.781 -8.897 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 857 16.139 -7.222 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.617 -8.619 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.970 -9.516 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.293 -9.787 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.293 -6.827 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.911 -7.919 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.688 -6.397 -2.260 1.00 0.00 H new ATOM 1546 N SER A 858 12.712 -8.477 2.285 1.00 0.00 N ATOM 1547 CA SER A 858 11.657 -9.025 3.129 1.00 0.00 C ATOM 1548 C SER A 858 10.675 -7.929 3.531 1.00 0.00 C ATOM 1549 O SER A 858 9.471 -8.166 3.641 1.00 0.00 O ATOM 1550 CB SER A 858 12.256 -9.675 4.374 1.00 0.00 C ATOM 1551 OG SER A 858 13.627 -9.969 4.180 1.00 0.00 O ATOM 0 H SER A 858 13.624 -8.409 2.736 1.00 0.00 H new ATOM 0 HA SER A 858 11.120 -9.785 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.140 -9.008 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.713 -10.591 4.608 1.00 0.00 H new ATOM 0 HG SER A 858 13.991 -10.383 4.990 1.00 0.00 H new ATOM 1557 N ALA A 859 11.199 -6.729 3.745 1.00 0.00 N ATOM 1558 CA ALA A 859 10.366 -5.580 4.064 1.00 0.00 C ATOM 1559 C ALA A 859 9.539 -5.174 2.850 1.00 0.00 C ATOM 1560 O ALA A 859 8.354 -4.860 2.967 1.00 0.00 O ATOM 1561 CB ALA A 859 11.221 -4.418 4.548 1.00 0.00 C ATOM 0 H ALA A 859 12.198 -6.527 3.703 1.00 0.00 H new ATOM 0 HA ALA A 859 9.684 -5.857 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.580 -3.568 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.768 -4.717 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.928 -4.136 3.767 1.00 0.00 H new ATOM 1567 N ALA A 860 10.170 -5.205 1.679 1.00 0.00 N ATOM 1568 CA ALA A 860 9.492 -4.888 0.427 1.00 0.00 C ATOM 1569 C ALA A 860 8.365 -5.880 0.151 1.00 0.00 C ATOM 1570 O ALA A 860 7.373 -5.548 -0.499 1.00 0.00 O ATOM 1571 CB ALA A 860 10.488 -4.877 -0.723 1.00 0.00 C ATOM 0 H ALA A 860 11.155 -5.448 1.572 1.00 0.00 H new ATOM 0 HA ALA A 860 9.052 -3.895 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.969 -4.639 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.255 -4.126 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.955 -5.858 -0.809 1.00 0.00 H new ATOM 1577 N LYS A 861 8.523 -7.098 0.658 1.00 0.00 N ATOM 1578 CA LYS A 861 7.501 -8.127 0.523 1.00 0.00 C ATOM 1579 C LYS A 861 6.199 -7.682 1.182 1.00 0.00 C ATOM 1580 O LYS A 861 5.119 -7.832 0.608 1.00 0.00 O ATOM 1581 CB LYS A 861 7.980 -9.436 1.148 1.00 0.00 C ATOM 1582 CG LYS A 861 7.496 -10.676 0.419 1.00 0.00 C ATOM 1583 CD LYS A 861 8.387 -11.869 0.714 1.00 0.00 C ATOM 1584 CE LYS A 861 9.464 -12.029 -0.345 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.029 -12.929 -1.446 1.00 0.00 N ATOM 0 H LYS A 861 9.354 -7.397 1.169 1.00 0.00 H new ATOM 0 HA LYS A 861 7.317 -8.288 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.070 -9.440 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.641 -9.479 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.472 -10.901 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.480 -10.487 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 861 8.852 -11.746 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 861 7.782 -12.775 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.719 -11.051 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.368 -12.428 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 9.792 -13.012 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.810 -13.869 -1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 8.181 -12.536 -1.901 1.00 0.00 H new ATOM 1599 N ILE A 862 6.311 -7.115 2.382 1.00 0.00 N ATOM 1600 CA ILE A 862 5.140 -6.628 3.105 1.00 0.00 C ATOM 1601 C ILE A 862 4.521 -5.452 2.368 1.00 0.00 C ATOM 1602 O ILE A 862 3.300 -5.310 2.324 1.00 0.00 O ATOM 1603 CB ILE A 862 5.476 -6.187 4.546 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.660 -6.976 5.100 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.258 -6.357 5.443 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.451 -6.216 6.142 1.00 0.00 C ATOM 0 H ILE A 862 7.196 -6.982 2.871 1.00 0.00 H new ATOM 0 HA ILE A 862 4.438 -7.460 3.159 1.00 0.00 H new ATOM 0 HB ILE A 862 5.755 -5.134 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.296 -7.906 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.322 -7.248 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.506 -6.043 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.439 -5.746 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.956 -7.404 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.277 -6.834 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.845 -5.299 5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.802 -5.967 6.981 1.00 0.00 H new ATOM 1618 N LEU A 863 5.377 -4.619 1.784 1.00 0.00 N ATOM 1619 CA LEU A 863 4.929 -3.479 0.995 1.00 0.00 C ATOM 1620 C LEU A 863 3.979 -3.940 -0.105 1.00 0.00 C ATOM 1621 O LEU A 863 2.868 -3.426 -0.239 1.00 0.00 O ATOM 1622 CB LEU A 863 6.128 -2.755 0.369 1.00 0.00 C ATOM 1623 CG LEU A 863 6.591 -1.482 1.087 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.400 -0.616 1.469 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.419 -1.836 2.313 1.00 0.00 C ATOM 0 H LEU A 863 6.391 -4.714 1.844 1.00 0.00 H new ATOM 0 HA LEU A 863 4.405 -2.789 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.966 -3.450 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.876 -2.497 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 863 7.218 -0.909 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.751 0.282 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.852 -0.333 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.742 -1.175 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.740 -0.921 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.817 -2.431 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.294 -2.409 2.008 1.00 0.00 H new ATOM 1637 N ALA A 864 4.420 -4.927 -0.873 1.00 0.00 N ATOM 1638 CA ALA A 864 3.633 -5.452 -1.979 1.00 0.00 C ATOM 1639 C ALA A 864 2.361 -6.130 -1.481 1.00 0.00 C ATOM 1640 O ALA A 864 1.274 -5.893 -2.012 1.00 0.00 O ATOM 1641 CB ALA A 864 4.467 -6.425 -2.799 1.00 0.00 C ATOM 0 H ALA A 864 5.324 -5.382 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 864 3.338 -4.615 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.869 -6.812 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.342 -5.910 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.789 -7.252 -2.166 1.00 0.00 H new ATOM 1647 N ASP A 865 2.500 -6.957 -0.450 1.00 0.00 N ATOM 1648 CA ASP A 865 1.370 -7.708 0.096 1.00 0.00 C ATOM 1649 C ASP A 865 0.288 -6.775 0.629 1.00 0.00 C ATOM 1650 O ASP A 865 -0.898 -6.951 0.338 1.00 0.00 O ATOM 1651 CB ASP A 865 1.837 -8.641 1.211 1.00 0.00 C ATOM 1652 CG ASP A 865 0.701 -9.471 1.773 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.029 -10.175 0.990 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.475 -9.432 2.999 1.00 0.00 O ATOM 0 H ASP A 865 3.386 -7.126 0.027 1.00 0.00 H new ATOM 0 HA ASP A 865 0.946 -8.299 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.614 -9.303 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.286 -8.053 2.011 1.00 0.00 H new ATOM 1659 N ALA A 866 0.704 -5.778 1.402 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.225 -4.812 1.968 1.00 0.00 C ATOM 1661 C ALA A 866 -0.900 -4.002 0.868 1.00 0.00 C ATOM 1662 O ALA A 866 -2.089 -3.700 0.950 1.00 0.00 O ATOM 1663 CB ALA A 866 0.493 -3.895 2.946 1.00 0.00 C ATOM 0 H ALA A 866 1.680 -5.619 1.650 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.998 -5.357 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.216 -3.178 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.923 -4.489 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.288 -3.360 2.426 1.00 0.00 H new ATOM 1669 N THR A 867 -0.141 -3.668 -0.170 1.00 0.00 N ATOM 1670 CA THR A 867 -0.677 -2.908 -1.289 1.00 0.00 C ATOM 1671 C THR A 867 -1.753 -3.706 -2.023 1.00 0.00 C ATOM 1672 O THR A 867 -2.781 -3.154 -2.422 1.00 0.00 O ATOM 1673 CB THR A 867 0.438 -2.500 -2.270 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.405 -1.693 -1.589 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.126 -1.727 -3.453 1.00 0.00 C ATOM 0 H THR A 867 0.845 -3.912 -0.258 1.00 0.00 H new ATOM 0 HA THR A 867 -1.128 -2.002 -0.884 1.00 0.00 H new ATOM 0 HB THR A 867 0.910 -3.408 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.787 -2.200 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.685 -1.453 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.846 -2.349 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.621 -0.824 -3.095 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.525 -5.007 -2.185 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.520 -5.873 -2.807 1.00 0.00 C ATOM 1685 C ALA A 868 -3.781 -5.914 -1.963 1.00 0.00 C ATOM 1686 O ALA A 868 -4.891 -5.909 -2.489 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.982 -7.279 -2.999 1.00 0.00 C ATOM 0 H ALA A 868 -0.668 -5.480 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.756 -5.461 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.747 -7.901 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.101 -7.247 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.712 -7.701 -2.031 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.601 -5.952 -0.648 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.724 -5.933 0.276 1.00 0.00 C ATOM 1695 C LYS A 869 -5.463 -4.606 0.182 1.00 0.00 C ATOM 1696 O LYS A 869 -6.690 -4.564 0.223 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.242 -6.166 1.710 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.230 -6.943 2.566 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.019 -8.442 2.439 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.141 -9.099 1.652 1.00 0.00 C ATOM 1701 NZ LYS A 869 -5.623 -9.955 0.552 1.00 0.00 N ATOM 0 H LYS A 869 -2.686 -5.996 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.408 -6.737 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.295 -6.705 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.047 -5.202 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.121 -6.646 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.248 -6.691 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -4.066 -8.636 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -4.961 -8.887 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -6.750 -9.703 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -6.791 -8.329 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.378 -10.121 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -4.824 -9.478 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -5.304 -10.865 0.941 1.00 0.00 H new ATOM 1715 N MET A 870 -4.704 -3.527 0.045 1.00 0.00 N ATOM 1716 CA MET A 870 -5.278 -2.194 -0.088 1.00 0.00 C ATOM 1717 C MET A 870 -6.081 -2.078 -1.376 1.00 0.00 C ATOM 1718 O MET A 870 -7.232 -1.643 -1.362 1.00 0.00 O ATOM 1719 CB MET A 870 -4.176 -1.134 -0.061 1.00 0.00 C ATOM 1720 CG MET A 870 -4.490 0.048 0.843 1.00 0.00 C ATOM 1721 SD MET A 870 -6.257 0.284 1.107 1.00 0.00 S ATOM 1722 CE MET A 870 -6.575 1.635 -0.017 1.00 0.00 C ATOM 0 H MET A 870 -3.684 -3.549 0.023 1.00 0.00 H new ATOM 0 HA MET A 870 -5.949 -2.028 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.246 -1.597 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.008 -0.771 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.001 -0.098 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 870 -4.069 0.954 0.406 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.651 1.764 -0.136 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.142 2.551 0.384 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.127 1.415 -0.986 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.474 -2.480 -2.488 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.148 -2.441 -3.778 1.00 0.00 C ATOM 1734 C VAL A 871 -7.373 -3.358 -3.763 1.00 0.00 C ATOM 1735 O VAL A 871 -8.416 -3.029 -4.328 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.179 -2.813 -4.940 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.460 -4.196 -5.519 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.243 -1.759 -6.034 1.00 0.00 C ATOM 0 H VAL A 871 -4.519 -2.836 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.484 -1.419 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.173 -2.843 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.756 -4.403 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.348 -4.947 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.477 -4.227 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.562 -2.030 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.260 -1.699 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.954 -0.791 -5.624 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.246 -4.488 -3.074 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.333 -5.443 -2.950 1.00 0.00 C ATOM 1750 C GLU A 872 -9.480 -4.848 -2.138 1.00 0.00 C ATOM 1751 O GLU A 872 -10.645 -4.949 -2.525 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.827 -6.728 -2.292 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.552 -7.979 -2.755 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.450 -9.105 -1.751 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -7.326 -9.591 -1.509 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.490 -9.505 -1.191 1.00 0.00 O ATOM 0 H GLU A 872 -6.391 -4.763 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.706 -5.679 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.763 -6.838 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.932 -6.637 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.602 -7.744 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.136 -8.306 -3.708 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.136 -4.214 -1.023 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.127 -3.619 -0.135 1.00 0.00 C ATOM 1765 C ALA A 873 -10.825 -2.434 -0.791 1.00 0.00 C ATOM 1766 O ALA A 873 -12.052 -2.342 -0.771 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.472 -3.184 1.166 1.00 0.00 C ATOM 0 H ALA A 873 -8.172 -4.099 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.881 -4.377 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.222 -2.741 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.028 -4.050 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.696 -2.449 0.954 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.039 -1.536 -1.373 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.578 -0.328 -1.987 1.00 0.00 C ATOM 1775 C ALA A 874 -11.520 -0.659 -3.137 1.00 0.00 C ATOM 1776 O ALA A 874 -12.593 -0.072 -3.259 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.450 0.572 -2.468 1.00 0.00 C ATOM 0 H ALA A 874 -9.024 -1.622 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.153 0.202 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.869 1.469 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.823 0.854 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.848 0.039 -3.204 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.121 -1.607 -3.975 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.937 -2.004 -5.114 1.00 0.00 C ATOM 1785 C LYS A 875 -13.125 -2.845 -4.663 1.00 0.00 C ATOM 1786 O LYS A 875 -14.214 -2.753 -5.232 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.096 -2.781 -6.131 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.253 -1.890 -7.030 1.00 0.00 C ATOM 1789 CD LYS A 875 -8.929 -2.547 -7.381 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.528 -2.265 -8.819 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.829 -3.414 -9.711 1.00 0.00 N ATOM 0 H LYS A 875 -10.240 -2.114 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.316 -1.100 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.440 -3.469 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.758 -3.386 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.804 -1.668 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.067 -0.939 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.152 -2.183 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.005 -3.624 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.054 -1.380 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.462 -2.041 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.541 -3.183 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.307 -4.252 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.850 -3.612 -9.690 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.912 -3.654 -3.631 1.00 0.00 N ATOM 1806 CA GLY A 876 -13.970 -4.499 -3.114 1.00 0.00 C ATOM 1807 C GLY A 876 -15.081 -3.699 -2.465 1.00 0.00 C ATOM 1808 O GLY A 876 -16.260 -3.935 -2.724 1.00 0.00 O ATOM 0 H GLY A 876 -12.021 -3.739 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.383 -5.098 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.553 -5.194 -2.386 1.00 0.00 H new