USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 819 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.93) USER MOD Set 1.2: A 850 ASN : amide:sc= 0.00237 X(o=-0.14,f=-0.14) USER MOD Single : A 761 SER OG : rot -170:sc= 0 USER MOD Single : A 767 SER OG : rot 38:sc= 0.52 USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 THR OG1 : rot 42:sc= 0.898 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -0.721 X(o=-0.72,f=-0.27) USER MOD Single : A 796 MET CE :methyl 158:sc= -0.135 (180deg=-0.697) USER MOD Single : A 799 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.4) USER MOD Single : A 814 THR OG1 : rot 9:sc= 0.659 USER MOD Single : A 815 LYS NZ :NH3+ -160:sc= -0.0225 (180deg=-0.199) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot -85:sc= 0.65 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 838 LYS NZ :NH3+ 154:sc= -0.333 (180deg=-1.41!) USER MOD Single : A 840 MET CE :methyl -178:sc= -2.26! (180deg=-2.3!) USER MOD Single : A 844 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 847 LYS NZ :NH3+ -164:sc= 0.203 (180deg=0.146) USER MOD Single : A 854 TYR OH : rot 150:sc= -0.738 USER MOD ----------------------------------------------------------------- ATOM 50 N SER A 761 -6.042 -12.455 -15.741 1.00 0.00 N ATOM 51 CA SER A 761 -5.276 -11.344 -15.189 1.00 0.00 C ATOM 52 C SER A 761 -5.988 -10.733 -13.986 1.00 0.00 C ATOM 53 O SER A 761 -7.190 -10.919 -13.804 1.00 0.00 O ATOM 54 CB SER A 761 -5.049 -10.271 -16.256 1.00 0.00 C ATOM 55 OG SER A 761 -6.217 -9.492 -16.452 1.00 0.00 O ATOM 0 HA SER A 761 -4.312 -11.732 -14.861 1.00 0.00 H new ATOM 0 HB2 SER A 761 -4.223 -9.625 -15.957 1.00 0.00 H new ATOM 0 HB3 SER A 761 -4.761 -10.743 -17.195 1.00 0.00 H new ATOM 0 HG SER A 761 -6.102 -8.922 -17.241 1.00 0.00 H new ATOM 61 N ILE A 762 -5.233 -10.003 -13.168 1.00 0.00 N ATOM 62 CA ILE A 762 -5.788 -9.362 -11.981 1.00 0.00 C ATOM 63 C ILE A 762 -5.331 -7.912 -11.878 1.00 0.00 C ATOM 64 O ILE A 762 -4.158 -7.604 -12.092 1.00 0.00 O ATOM 65 CB ILE A 762 -5.380 -10.106 -10.693 1.00 0.00 C ATOM 66 CG1 ILE A 762 -5.704 -11.596 -10.806 1.00 0.00 C ATOM 67 CG2 ILE A 762 -6.083 -9.499 -9.486 1.00 0.00 C ATOM 68 CD1 ILE A 762 -4.704 -12.489 -10.105 1.00 0.00 C ATOM 0 H ILE A 762 -4.235 -9.841 -13.306 1.00 0.00 H new ATOM 0 HA ILE A 762 -6.873 -9.396 -12.083 1.00 0.00 H new ATOM 0 HB ILE A 762 -4.304 -9.999 -10.559 1.00 0.00 H new ATOM 0 HG12 ILE A 762 -6.695 -11.776 -10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 762 -5.747 -11.871 -11.860 1.00 0.00 H new ATOM 0 HG21 ILE A 762 -5.785 -10.034 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 762 -5.805 -8.449 -9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 762 -7.162 -9.579 -9.616 1.00 0.00 H new ATOM 0 HD11 ILE A 762 -4.998 -13.531 -10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 762 -3.715 -12.338 -10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 762 -4.677 -12.242 -9.044 1.00 0.00 H new ATOM 80 N LEU A 763 -6.262 -7.025 -11.543 1.00 0.00 N ATOM 81 CA LEU A 763 -5.950 -5.609 -11.405 1.00 0.00 C ATOM 82 C LEU A 763 -5.195 -5.351 -10.106 1.00 0.00 C ATOM 83 O LEU A 763 -5.548 -5.891 -9.057 1.00 0.00 O ATOM 84 CB LEU A 763 -7.229 -4.773 -11.442 1.00 0.00 C ATOM 85 CG LEU A 763 -7.140 -3.502 -12.286 1.00 0.00 C ATOM 86 CD1 LEU A 763 -8.379 -3.348 -13.155 1.00 0.00 C ATOM 87 CD2 LEU A 763 -6.954 -2.285 -11.394 1.00 0.00 C ATOM 0 H LEU A 763 -7.237 -7.262 -11.362 1.00 0.00 H new ATOM 0 HA LEU A 763 -5.316 -5.317 -12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -8.040 -5.392 -11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -7.495 -4.497 -10.422 1.00 0.00 H new ATOM 0 HG LEU A 763 -6.273 -3.583 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -8.296 -2.437 -13.748 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -8.466 -4.207 -13.820 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -9.263 -3.289 -12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -6.892 -1.388 -12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -7.801 -2.200 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -6.035 -2.393 -10.818 1.00 0.00 H new ATOM 99 N PHE A 764 -4.153 -4.533 -10.183 1.00 0.00 N ATOM 100 CA PHE A 764 -3.346 -4.215 -9.012 1.00 0.00 C ATOM 101 C PHE A 764 -3.250 -2.709 -8.797 1.00 0.00 C ATOM 102 O PHE A 764 -2.462 -2.026 -9.452 1.00 0.00 O ATOM 103 CB PHE A 764 -1.944 -4.809 -9.162 1.00 0.00 C ATOM 104 CG PHE A 764 -1.528 -5.677 -8.008 1.00 0.00 C ATOM 105 CD1 PHE A 764 -2.277 -6.789 -7.653 1.00 0.00 C ATOM 106 CD2 PHE A 764 -0.388 -5.380 -7.277 1.00 0.00 C ATOM 107 CE1 PHE A 764 -1.895 -7.588 -6.593 1.00 0.00 C ATOM 108 CE2 PHE A 764 -0.003 -6.176 -6.216 1.00 0.00 C ATOM 109 CZ PHE A 764 -0.757 -7.280 -5.873 1.00 0.00 C ATOM 0 H PHE A 764 -3.847 -4.078 -11.043 1.00 0.00 H new ATOM 0 HA PHE A 764 -3.834 -4.652 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -1.904 -5.396 -10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -1.225 -3.997 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -3.169 -7.033 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 764 0.205 -4.517 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -2.485 -8.453 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 764 0.888 -5.935 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 764 -0.458 -7.902 -5.043 1.00 0.00 H new ATOM 119 N ARG A 765 -4.050 -2.199 -7.866 1.00 0.00 N ATOM 120 CA ARG A 765 -4.049 -0.775 -7.553 1.00 0.00 C ATOM 121 C ARG A 765 -2.803 -0.414 -6.750 1.00 0.00 C ATOM 122 O ARG A 765 -2.511 -1.041 -5.733 1.00 0.00 O ATOM 123 CB ARG A 765 -5.307 -0.400 -6.768 1.00 0.00 C ATOM 124 CG ARG A 765 -6.556 -1.126 -7.240 1.00 0.00 C ATOM 125 CD ARG A 765 -7.723 -0.170 -7.422 1.00 0.00 C ATOM 126 NE ARG A 765 -8.057 0.025 -8.829 1.00 0.00 N ATOM 127 CZ ARG A 765 -8.758 1.058 -9.286 1.00 0.00 C ATOM 128 NH1 ARG A 765 -9.196 1.989 -8.449 1.00 0.00 N ATOM 129 NH2 ARG A 765 -9.022 1.160 -10.581 1.00 0.00 N ATOM 0 H ARG A 765 -4.707 -2.751 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 765 -4.042 -0.214 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -5.146 -0.620 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -5.469 0.675 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -6.349 -1.632 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -6.825 -1.896 -6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -8.594 -0.557 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -7.477 0.792 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 765 -7.734 -0.671 -9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -8.995 1.914 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -9.734 2.780 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -8.687 0.446 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -9.560 1.953 -10.931 1.00 0.00 H new ATOM 143 N ILE A 766 -2.068 0.591 -7.214 1.00 0.00 N ATOM 144 CA ILE A 766 -0.849 1.016 -6.534 1.00 0.00 C ATOM 145 C ILE A 766 -0.908 2.493 -6.162 1.00 0.00 C ATOM 146 O ILE A 766 -0.628 3.363 -6.985 1.00 0.00 O ATOM 147 CB ILE A 766 0.396 0.765 -7.408 1.00 0.00 C ATOM 148 CG1 ILE A 766 0.313 -0.614 -8.068 1.00 0.00 C ATOM 149 CG2 ILE A 766 1.661 0.883 -6.571 1.00 0.00 C ATOM 150 CD1 ILE A 766 1.255 -0.782 -9.243 1.00 0.00 C ATOM 0 H ILE A 766 -2.293 1.124 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 766 -0.772 0.422 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 766 0.431 1.521 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 766 0.535 -1.378 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 766 -0.709 -0.785 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 766 2.532 0.703 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 766 1.722 1.884 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 766 1.636 0.146 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 766 1.141 -1.783 -9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 766 1.019 -0.041 -10.007 1.00 0.00 H new ATOM 0 HD13 ILE A 766 2.283 -0.643 -8.908 1.00 0.00 H new ATOM 162 N SER A 767 -1.272 2.768 -4.913 1.00 0.00 N ATOM 163 CA SER A 767 -1.368 4.139 -4.427 1.00 0.00 C ATOM 164 C SER A 767 -0.025 4.626 -3.893 1.00 0.00 C ATOM 165 O SER A 767 0.434 4.180 -2.841 1.00 0.00 O ATOM 166 CB SER A 767 -2.431 4.240 -3.331 1.00 0.00 C ATOM 167 OG SER A 767 -2.166 3.331 -2.277 1.00 0.00 O ATOM 0 H SER A 767 -1.505 2.058 -4.219 1.00 0.00 H new ATOM 0 HA SER A 767 -1.656 4.774 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 767 -2.459 5.257 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 767 -3.414 4.034 -3.754 1.00 0.00 H new ATOM 0 HG SER A 767 -1.200 3.290 -2.115 1.00 0.00 H new ATOM 173 N TYR A 768 0.599 5.546 -4.624 1.00 0.00 N ATOM 174 CA TYR A 768 1.889 6.096 -4.223 1.00 0.00 C ATOM 175 C TYR A 768 1.727 7.503 -3.655 1.00 0.00 C ATOM 176 O TYR A 768 1.478 8.456 -4.393 1.00 0.00 O ATOM 177 CB TYR A 768 2.853 6.121 -5.413 1.00 0.00 C ATOM 178 CG TYR A 768 4.309 6.232 -5.015 1.00 0.00 C ATOM 179 CD1 TYR A 768 4.842 7.437 -4.575 1.00 0.00 C ATOM 180 CD2 TYR A 768 5.151 5.127 -5.078 1.00 0.00 C ATOM 181 CE1 TYR A 768 6.170 7.540 -4.207 1.00 0.00 C ATOM 182 CE2 TYR A 768 6.481 5.222 -4.712 1.00 0.00 C ATOM 183 CZ TYR A 768 6.984 6.430 -4.278 1.00 0.00 C ATOM 184 OH TYR A 768 8.307 6.528 -3.910 1.00 0.00 O ATOM 0 H TYR A 768 0.232 5.926 -5.497 1.00 0.00 H new ATOM 0 HA TYR A 768 2.302 5.454 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 768 2.714 5.213 -6.000 1.00 0.00 H new ATOM 0 HB3 TYR A 768 2.597 6.961 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 768 4.207 8.309 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 768 4.760 4.180 -5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 768 6.568 8.484 -3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 768 7.122 4.355 -4.766 1.00 0.00 H new ATOM 0 HH TYR A 768 8.742 5.656 -4.017 1.00 0.00 H new ATOM 322 N GLU A 779 -1.223 8.754 -6.370 1.00 0.00 N ATOM 323 CA GLU A 779 -1.382 8.282 -7.741 1.00 0.00 C ATOM 324 C GLU A 779 -1.555 6.767 -7.777 1.00 0.00 C ATOM 325 O GLU A 779 -0.582 6.020 -7.679 1.00 0.00 O ATOM 326 CB GLU A 779 -0.174 8.687 -8.587 1.00 0.00 C ATOM 327 CG GLU A 779 -0.009 10.191 -8.734 1.00 0.00 C ATOM 328 CD GLU A 779 -0.382 10.685 -10.118 1.00 0.00 C ATOM 329 OE1 GLU A 779 0.369 10.397 -11.073 1.00 0.00 O ATOM 330 OE2 GLU A 779 -1.426 11.360 -10.247 1.00 0.00 O ATOM 0 HA GLU A 779 -2.278 8.744 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 779 0.729 8.273 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 779 -0.269 8.242 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 779 -0.629 10.695 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 779 1.025 10.462 -8.522 1.00 0.00 H new ATOM 337 N ILE A 780 -2.800 6.321 -7.919 1.00 0.00 N ATOM 338 CA ILE A 780 -3.102 4.897 -7.970 1.00 0.00 C ATOM 339 C ILE A 780 -3.007 4.365 -9.396 1.00 0.00 C ATOM 340 O ILE A 780 -3.698 4.845 -10.295 1.00 0.00 O ATOM 341 CB ILE A 780 -4.510 4.600 -7.416 1.00 0.00 C ATOM 342 CG1 ILE A 780 -4.774 5.435 -6.162 1.00 0.00 C ATOM 343 CG2 ILE A 780 -4.660 3.118 -7.114 1.00 0.00 C ATOM 344 CD1 ILE A 780 -6.245 5.609 -5.848 1.00 0.00 C ATOM 0 H ILE A 780 -3.616 6.928 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 780 -2.361 4.395 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 780 -5.246 4.871 -8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -4.283 4.963 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -4.319 6.418 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 780 -5.659 2.926 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 780 -4.510 2.543 -8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 780 -3.918 2.821 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -6.356 6.211 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -6.738 6.109 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -6.701 4.632 -5.690 1.00 0.00 H new ATOM 356 N PHE A 781 -2.147 3.372 -9.596 1.00 0.00 N ATOM 357 CA PHE A 781 -1.959 2.774 -10.913 1.00 0.00 C ATOM 358 C PHE A 781 -2.747 1.475 -11.036 1.00 0.00 C ATOM 359 O PHE A 781 -3.331 0.998 -10.062 1.00 0.00 O ATOM 360 CB PHE A 781 -0.475 2.509 -11.171 1.00 0.00 C ATOM 361 CG PHE A 781 0.377 3.748 -11.137 1.00 0.00 C ATOM 362 CD1 PHE A 781 0.120 4.807 -11.994 1.00 0.00 C ATOM 363 CD2 PHE A 781 1.436 3.852 -10.250 1.00 0.00 C ATOM 364 CE1 PHE A 781 0.902 5.945 -11.965 1.00 0.00 C ATOM 365 CE2 PHE A 781 2.222 4.988 -10.216 1.00 0.00 C ATOM 366 CZ PHE A 781 1.954 6.036 -11.076 1.00 0.00 C ATOM 0 H PHE A 781 -1.568 2.964 -8.862 1.00 0.00 H new ATOM 0 HA PHE A 781 -2.329 3.477 -11.659 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -0.106 1.805 -10.425 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -0.365 2.030 -12.144 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -0.701 4.741 -12.692 1.00 0.00 H new ATOM 0 HD2 PHE A 781 1.650 3.035 -9.577 1.00 0.00 H new ATOM 0 HE1 PHE A 781 0.691 6.763 -12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 781 3.044 5.057 -9.519 1.00 0.00 H new ATOM 0 HZ PHE A 781 2.567 6.925 -11.053 1.00 0.00 H new ATOM 376 N THR A 782 -2.758 0.906 -12.236 1.00 0.00 N ATOM 377 CA THR A 782 -3.473 -0.339 -12.486 1.00 0.00 C ATOM 378 C THR A 782 -2.593 -1.333 -13.238 1.00 0.00 C ATOM 379 O THR A 782 -2.355 -1.184 -14.437 1.00 0.00 O ATOM 380 CB THR A 782 -4.763 -0.096 -13.291 1.00 0.00 C ATOM 381 OG1 THR A 782 -4.449 0.500 -14.555 1.00 0.00 O ATOM 382 CG2 THR A 782 -5.717 0.806 -12.522 1.00 0.00 C ATOM 0 H THR A 782 -2.279 1.288 -13.052 1.00 0.00 H new ATOM 0 HA THR A 782 -3.738 -0.754 -11.514 1.00 0.00 H new ATOM 0 HB THR A 782 -5.249 -1.058 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 782 -3.661 0.060 -14.938 1.00 0.00 H new ATOM 0 HG21 THR A 782 -6.621 0.964 -13.110 1.00 0.00 H new ATOM 0 HG22 THR A 782 -5.978 0.336 -11.574 1.00 0.00 H new ATOM 0 HG23 THR A 782 -5.236 1.765 -12.331 1.00 0.00 H new ATOM 390 N LEU A 783 -2.110 -2.344 -12.524 1.00 0.00 N ATOM 391 CA LEU A 783 -1.250 -3.362 -13.118 1.00 0.00 C ATOM 392 C LEU A 783 -2.031 -4.641 -13.408 1.00 0.00 C ATOM 393 O LEU A 783 -2.794 -5.118 -12.567 1.00 0.00 O ATOM 394 CB LEU A 783 -0.077 -3.672 -12.187 1.00 0.00 C ATOM 395 CG LEU A 783 1.306 -3.344 -12.753 1.00 0.00 C ATOM 396 CD1 LEU A 783 2.343 -3.326 -11.642 1.00 0.00 C ATOM 397 CD2 LEU A 783 1.693 -4.349 -13.829 1.00 0.00 C ATOM 0 H LEU A 783 -2.300 -2.481 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 783 -0.869 -2.970 -14.061 1.00 0.00 H new ATOM 0 HB2 LEU A 783 -0.214 -3.117 -11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 783 -0.106 -4.731 -11.932 1.00 0.00 H new ATOM 0 HG LEU A 783 1.269 -2.353 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 783 3.321 -3.091 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 783 2.073 -2.570 -10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 783 2.379 -4.304 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 783 2.679 -4.101 -14.221 1.00 0.00 H new ATOM 0 HD22 LEU A 783 1.714 -5.351 -13.400 1.00 0.00 H new ATOM 0 HD23 LEU A 783 0.963 -4.316 -14.637 1.00 0.00 H new ATOM 409 N LEU A 784 -1.827 -5.194 -14.600 1.00 0.00 N ATOM 410 CA LEU A 784 -2.503 -6.423 -14.999 1.00 0.00 C ATOM 411 C LEU A 784 -1.695 -7.642 -14.564 1.00 0.00 C ATOM 412 O LEU A 784 -1.188 -8.396 -15.396 1.00 0.00 O ATOM 413 CB LEU A 784 -2.714 -6.442 -16.515 1.00 0.00 C ATOM 414 CG LEU A 784 -4.155 -6.213 -16.971 1.00 0.00 C ATOM 415 CD1 LEU A 784 -4.418 -4.729 -17.177 1.00 0.00 C ATOM 416 CD2 LEU A 784 -4.440 -6.990 -18.248 1.00 0.00 C ATOM 0 H LEU A 784 -1.199 -4.810 -15.306 1.00 0.00 H new ATOM 0 HA LEU A 784 -3.476 -6.459 -14.508 1.00 0.00 H new ATOM 0 HB2 LEU A 784 -2.081 -5.677 -16.964 1.00 0.00 H new ATOM 0 HB3 LEU A 784 -2.375 -7.403 -16.902 1.00 0.00 H new ATOM 0 HG LEU A 784 -4.826 -6.576 -16.192 1.00 0.00 H new ATOM 0 HD11 LEU A 784 -5.448 -4.584 -17.502 1.00 0.00 H new ATOM 0 HD12 LEU A 784 -4.254 -4.197 -16.240 1.00 0.00 H new ATOM 0 HD13 LEU A 784 -3.740 -4.341 -17.937 1.00 0.00 H new ATOM 0 HD21 LEU A 784 -5.470 -6.815 -18.558 1.00 0.00 H new ATOM 0 HD22 LEU A 784 -3.763 -6.658 -19.035 1.00 0.00 H new ATOM 0 HD23 LEU A 784 -4.291 -8.055 -18.067 1.00 0.00 H new ATOM 428 N VAL A 785 -1.577 -7.825 -13.252 1.00 0.00 N ATOM 429 CA VAL A 785 -0.827 -8.945 -12.697 1.00 0.00 C ATOM 430 C VAL A 785 -1.478 -10.276 -13.055 1.00 0.00 C ATOM 431 O VAL A 785 -2.542 -10.618 -12.537 1.00 0.00 O ATOM 432 CB VAL A 785 -0.708 -8.837 -11.166 1.00 0.00 C ATOM 433 CG1 VAL A 785 0.298 -9.845 -10.632 1.00 0.00 C ATOM 434 CG2 VAL A 785 -0.319 -7.424 -10.760 1.00 0.00 C ATOM 0 H VAL A 785 -1.993 -7.210 -12.553 1.00 0.00 H new ATOM 0 HA VAL A 785 0.171 -8.905 -13.134 1.00 0.00 H new ATOM 0 HB VAL A 785 -1.681 -9.064 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 785 0.367 -9.751 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 785 -0.026 -10.853 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 785 1.275 -9.653 -11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -0.240 -7.366 -9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 785 0.641 -7.168 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -1.079 -6.724 -11.106 1.00 0.00 H new ATOM 444 N GLU A 786 -0.830 -11.022 -13.944 1.00 0.00 N ATOM 445 CA GLU A 786 -1.342 -12.319 -14.375 1.00 0.00 C ATOM 446 C GLU A 786 -1.235 -13.346 -13.252 1.00 0.00 C ATOM 447 O GLU A 786 -0.734 -13.045 -12.168 1.00 0.00 O ATOM 448 CB GLU A 786 -0.574 -12.809 -15.606 1.00 0.00 C ATOM 449 CG GLU A 786 -0.265 -11.709 -16.609 1.00 0.00 C ATOM 450 CD GLU A 786 -0.946 -11.932 -17.945 1.00 0.00 C ATOM 451 OE1 GLU A 786 -0.934 -13.080 -18.434 1.00 0.00 O ATOM 452 OE2 GLU A 786 -1.492 -10.957 -18.503 1.00 0.00 O ATOM 0 H GLU A 786 0.051 -10.751 -14.380 1.00 0.00 H new ATOM 0 HA GLU A 786 -2.394 -12.200 -14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 786 0.361 -13.267 -15.282 1.00 0.00 H new ATOM 0 HB3 GLU A 786 -1.155 -13.587 -16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 786 -0.581 -10.750 -16.200 1.00 0.00 H new ATOM 0 HG3 GLU A 786 0.813 -11.652 -16.760 1.00 0.00 H new ATOM 459 N LYS A 787 -1.708 -14.558 -13.521 1.00 0.00 N ATOM 460 CA LYS A 787 -1.664 -15.632 -12.534 1.00 0.00 C ATOM 461 C LYS A 787 -0.437 -16.513 -12.745 1.00 0.00 C ATOM 462 O LYS A 787 -0.064 -17.294 -11.870 1.00 0.00 O ATOM 463 CB LYS A 787 -2.935 -16.479 -12.613 1.00 0.00 C ATOM 464 CG LYS A 787 -4.197 -15.717 -12.239 1.00 0.00 C ATOM 465 CD LYS A 787 -5.321 -15.978 -13.229 1.00 0.00 C ATOM 466 CE LYS A 787 -6.518 -15.082 -12.959 1.00 0.00 C ATOM 467 NZ LYS A 787 -7.807 -15.798 -13.166 1.00 0.00 N ATOM 0 H LYS A 787 -2.126 -14.822 -14.413 1.00 0.00 H new ATOM 0 HA LYS A 787 -1.599 -15.180 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 787 -3.041 -16.867 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 787 -2.830 -17.339 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 787 -4.517 -16.010 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 787 -3.982 -14.649 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 787 -4.960 -15.810 -14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 787 -5.626 -17.023 -13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 787 -6.470 -14.711 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 787 -6.476 -14.213 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 787 -8.598 -15.152 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 787 -7.865 -16.131 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 787 -7.859 -16.613 -12.522 1.00 0.00 H new ATOM 481 N VAL A 788 0.189 -16.377 -13.911 1.00 0.00 N ATOM 482 CA VAL A 788 1.377 -17.157 -14.239 1.00 0.00 C ATOM 483 C VAL A 788 2.641 -16.449 -13.766 1.00 0.00 C ATOM 484 O VAL A 788 3.751 -16.806 -14.162 1.00 0.00 O ATOM 485 CB VAL A 788 1.480 -17.412 -15.755 1.00 0.00 C ATOM 486 CG1 VAL A 788 0.314 -18.261 -16.235 1.00 0.00 C ATOM 487 CG2 VAL A 788 1.539 -16.096 -16.516 1.00 0.00 C ATOM 0 H VAL A 788 -0.108 -15.733 -14.644 1.00 0.00 H new ATOM 0 HA VAL A 788 1.283 -18.113 -13.724 1.00 0.00 H new ATOM 0 HB VAL A 788 2.402 -17.959 -15.950 1.00 0.00 H new ATOM 0 HG11 VAL A 788 0.405 -18.430 -17.308 1.00 0.00 H new ATOM 0 HG12 VAL A 788 0.323 -19.219 -15.715 1.00 0.00 H new ATOM 0 HG13 VAL A 788 -0.623 -17.744 -16.027 1.00 0.00 H new ATOM 0 HG21 VAL A 788 1.612 -16.297 -17.585 1.00 0.00 H new ATOM 0 HG22 VAL A 788 0.636 -15.519 -16.316 1.00 0.00 H new ATOM 0 HG23 VAL A 788 2.412 -15.528 -16.193 1.00 0.00 H new ATOM 497 N TRP A 789 2.463 -15.442 -12.917 1.00 0.00 N ATOM 498 CA TRP A 789 3.584 -14.676 -12.387 1.00 0.00 C ATOM 499 C TRP A 789 4.022 -15.213 -11.029 1.00 0.00 C ATOM 500 O TRP A 789 3.572 -16.272 -10.591 1.00 0.00 O ATOM 501 CB TRP A 789 3.200 -13.200 -12.256 1.00 0.00 C ATOM 502 CG TRP A 789 3.442 -12.394 -13.499 1.00 0.00 C ATOM 503 CD1 TRP A 789 3.797 -12.861 -14.733 1.00 0.00 C ATOM 504 CD2 TRP A 789 3.344 -10.971 -13.622 1.00 0.00 C ATOM 505 NE1 TRP A 789 3.925 -11.814 -15.615 1.00 0.00 N ATOM 506 CE2 TRP A 789 3.652 -10.643 -14.955 1.00 0.00 C ATOM 507 CE3 TRP A 789 3.024 -9.942 -12.732 1.00 0.00 C ATOM 508 CZ2 TRP A 789 3.649 -9.329 -15.417 1.00 0.00 C ATOM 509 CZ3 TRP A 789 3.021 -8.640 -13.192 1.00 0.00 C ATOM 510 CH2 TRP A 789 3.331 -8.343 -14.524 1.00 0.00 C ATOM 0 H TRP A 789 1.550 -15.137 -12.581 1.00 0.00 H new ATOM 0 HA TRP A 789 4.417 -14.774 -13.083 1.00 0.00 H new ATOM 0 HB2 TRP A 789 2.145 -13.132 -11.991 1.00 0.00 H new ATOM 0 HB3 TRP A 789 3.765 -12.760 -11.434 1.00 0.00 H new ATOM 0 HD1 TRP A 789 3.954 -13.901 -14.980 1.00 0.00 H new ATOM 0 HE1 TRP A 789 4.181 -11.895 -16.599 1.00 0.00 H new ATOM 0 HE3 TRP A 789 2.783 -10.161 -11.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 3.889 -9.097 -16.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 2.775 -7.837 -12.512 1.00 0.00 H new ATOM 0 HH2 TRP A 789 3.319 -7.315 -14.853 1.00 0.00 H new ATOM 521 N ASN A 790 4.901 -14.468 -10.366 1.00 0.00 N ATOM 522 CA ASN A 790 5.403 -14.853 -9.052 1.00 0.00 C ATOM 523 C ASN A 790 5.537 -13.628 -8.154 1.00 0.00 C ATOM 524 O ASN A 790 5.056 -12.546 -8.492 1.00 0.00 O ATOM 525 CB ASN A 790 6.755 -15.558 -9.185 1.00 0.00 C ATOM 526 CG ASN A 790 6.914 -16.695 -8.194 1.00 0.00 C ATOM 527 OD1 ASN A 790 6.220 -17.708 -8.278 1.00 0.00 O ATOM 528 ND2 ASN A 790 7.833 -16.532 -7.249 1.00 0.00 N ATOM 0 H ASN A 790 5.282 -13.590 -10.720 1.00 0.00 H new ATOM 0 HA ASN A 790 4.691 -15.542 -8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 790 6.862 -15.945 -10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 790 7.556 -14.834 -9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 790 7.986 -17.264 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 790 8.386 -15.675 -7.217 1.00 0.00 H new ATOM 535 N PHE A 791 6.190 -13.799 -7.009 1.00 0.00 N ATOM 536 CA PHE A 791 6.381 -12.699 -6.071 1.00 0.00 C ATOM 537 C PHE A 791 7.368 -11.678 -6.627 1.00 0.00 C ATOM 538 O PHE A 791 7.098 -10.476 -6.631 1.00 0.00 O ATOM 539 CB PHE A 791 6.877 -13.225 -4.721 1.00 0.00 C ATOM 540 CG PHE A 791 7.247 -12.138 -3.752 1.00 0.00 C ATOM 541 CD1 PHE A 791 6.278 -11.290 -3.237 1.00 0.00 C ATOM 542 CD2 PHE A 791 8.564 -11.961 -3.356 1.00 0.00 C ATOM 543 CE1 PHE A 791 6.615 -10.288 -2.349 1.00 0.00 C ATOM 544 CE2 PHE A 791 8.907 -10.962 -2.467 1.00 0.00 C ATOM 545 CZ PHE A 791 7.931 -10.124 -1.962 1.00 0.00 C ATOM 0 H PHE A 791 6.595 -14.686 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 791 5.419 -12.208 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 791 6.101 -13.848 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 791 7.744 -13.864 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 791 5.247 -11.415 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 791 9.331 -12.613 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 791 5.851 -9.633 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 791 9.937 -10.836 -2.167 1.00 0.00 H new ATOM 0 HZ PHE A 791 8.197 -9.342 -1.266 1.00 0.00 H new ATOM 555 N ASP A 792 8.514 -12.165 -7.093 1.00 0.00 N ATOM 556 CA ASP A 792 9.546 -11.297 -7.650 1.00 0.00 C ATOM 557 C ASP A 792 9.055 -10.610 -8.921 1.00 0.00 C ATOM 558 O ASP A 792 9.237 -9.405 -9.096 1.00 0.00 O ATOM 559 CB ASP A 792 10.812 -12.103 -7.948 1.00 0.00 C ATOM 560 CG ASP A 792 10.504 -13.477 -8.512 1.00 0.00 C ATOM 561 OD1 ASP A 792 10.285 -14.412 -7.713 1.00 0.00 O ATOM 562 OD2 ASP A 792 10.482 -13.618 -9.753 1.00 0.00 O ATOM 0 H ASP A 792 8.752 -13.157 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 792 9.777 -10.529 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 792 11.431 -11.553 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 792 11.394 -12.211 -7.033 1.00 0.00 H new ATOM 567 N ASP A 793 8.429 -11.382 -9.802 1.00 0.00 N ATOM 568 CA ASP A 793 7.908 -10.846 -11.055 1.00 0.00 C ATOM 569 C ASP A 793 6.847 -9.784 -10.787 1.00 0.00 C ATOM 570 O ASP A 793 6.679 -8.847 -11.569 1.00 0.00 O ATOM 571 CB ASP A 793 7.321 -11.971 -11.910 1.00 0.00 C ATOM 572 CG ASP A 793 8.175 -12.278 -13.126 1.00 0.00 C ATOM 573 OD1 ASP A 793 9.341 -12.687 -12.944 1.00 0.00 O ATOM 574 OD2 ASP A 793 7.677 -12.110 -14.259 1.00 0.00 O ATOM 0 H ASP A 793 8.270 -12.381 -9.672 1.00 0.00 H new ATOM 0 HA ASP A 793 8.732 -10.383 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 793 7.221 -12.871 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 793 6.318 -11.692 -12.234 1.00 0.00 H new ATOM 579 N LEU A 794 6.136 -9.937 -9.674 1.00 0.00 N ATOM 580 CA LEU A 794 5.091 -8.993 -9.295 1.00 0.00 C ATOM 581 C LEU A 794 5.693 -7.651 -8.894 1.00 0.00 C ATOM 582 O LEU A 794 5.362 -6.614 -9.470 1.00 0.00 O ATOM 583 CB LEU A 794 4.259 -9.560 -8.140 1.00 0.00 C ATOM 584 CG LEU A 794 3.255 -8.587 -7.517 1.00 0.00 C ATOM 585 CD1 LEU A 794 1.930 -9.285 -7.254 1.00 0.00 C ATOM 586 CD2 LEU A 794 3.813 -8.000 -6.229 1.00 0.00 C ATOM 0 H LEU A 794 6.265 -10.707 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 794 4.443 -8.837 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 794 3.717 -10.435 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 794 4.938 -9.904 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 794 3.081 -7.773 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 794 1.228 -8.578 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 794 1.523 -9.660 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 794 2.087 -10.118 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 794 3.087 -7.310 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 794 4.014 -8.803 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 794 4.738 -7.465 -6.444 1.00 0.00 H new ATOM 598 N ILE A 795 6.577 -7.678 -7.902 1.00 0.00 N ATOM 599 CA ILE A 795 7.224 -6.464 -7.421 1.00 0.00 C ATOM 600 C ILE A 795 8.027 -5.791 -8.530 1.00 0.00 C ATOM 601 O ILE A 795 8.258 -4.583 -8.496 1.00 0.00 O ATOM 602 CB ILE A 795 8.150 -6.757 -6.221 1.00 0.00 C ATOM 603 CG1 ILE A 795 8.472 -5.463 -5.473 1.00 0.00 C ATOM 604 CG2 ILE A 795 9.428 -7.445 -6.678 1.00 0.00 C ATOM 605 CD1 ILE A 795 7.456 -5.115 -4.407 1.00 0.00 C ATOM 0 H ILE A 795 6.861 -8.528 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 795 6.432 -5.789 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 795 7.629 -7.432 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 795 9.455 -5.554 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 795 8.531 -4.643 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 795 10.064 -7.641 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 795 9.179 -8.387 -7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 795 9.957 -6.800 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.747 -4.186 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.475 -4.992 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 795 7.413 -5.917 -3.670 1.00 0.00 H new ATOM 617 N MET A 796 8.446 -6.582 -9.513 1.00 0.00 N ATOM 618 CA MET A 796 9.219 -6.062 -10.633 1.00 0.00 C ATOM 619 C MET A 796 8.340 -5.223 -11.555 1.00 0.00 C ATOM 620 O MET A 796 8.784 -4.213 -12.101 1.00 0.00 O ATOM 621 CB MET A 796 9.853 -7.212 -11.420 1.00 0.00 C ATOM 622 CG MET A 796 11.080 -6.799 -12.215 1.00 0.00 C ATOM 623 SD MET A 796 12.468 -6.336 -11.160 1.00 0.00 S ATOM 624 CE MET A 796 12.811 -7.895 -10.347 1.00 0.00 C ATOM 0 H MET A 796 8.263 -7.585 -9.556 1.00 0.00 H new ATOM 0 HA MET A 796 10.009 -5.426 -10.234 1.00 0.00 H new ATOM 0 HB2 MET A 796 10.129 -8.007 -10.727 1.00 0.00 H new ATOM 0 HB3 MET A 796 9.111 -7.627 -12.102 1.00 0.00 H new ATOM 0 HG2 MET A 796 11.381 -7.621 -12.865 1.00 0.00 H new ATOM 0 HG3 MET A 796 10.824 -5.959 -12.861 1.00 0.00 H new ATOM 0 HE1 MET A 796 13.837 -7.896 -9.980 1.00 0.00 H new ATOM 0 HE2 MET A 796 12.126 -8.027 -9.510 1.00 0.00 H new ATOM 0 HE3 MET A 796 12.679 -8.712 -11.056 1.00 0.00 H new ATOM 634 N ALA A 797 7.091 -5.648 -11.722 1.00 0.00 N ATOM 635 CA ALA A 797 6.149 -4.936 -12.576 1.00 0.00 C ATOM 636 C ALA A 797 5.812 -3.563 -12.003 1.00 0.00 C ATOM 637 O ALA A 797 5.769 -2.570 -12.731 1.00 0.00 O ATOM 638 CB ALA A 797 4.882 -5.758 -12.766 1.00 0.00 C ATOM 0 H ALA A 797 6.709 -6.482 -11.277 1.00 0.00 H new ATOM 0 HA ALA A 797 6.621 -4.787 -13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 797 4.188 -5.214 -13.406 1.00 0.00 H new ATOM 0 HB2 ALA A 797 5.133 -6.711 -13.231 1.00 0.00 H new ATOM 0 HB3 ALA A 797 4.417 -5.939 -11.797 1.00 0.00 H new ATOM 644 N ILE A 798 5.574 -3.511 -10.694 1.00 0.00 N ATOM 645 CA ILE A 798 5.241 -2.258 -10.025 1.00 0.00 C ATOM 646 C ILE A 798 6.369 -1.242 -10.172 1.00 0.00 C ATOM 647 O ILE A 798 6.130 -0.080 -10.504 1.00 0.00 O ATOM 648 CB ILE A 798 4.954 -2.475 -8.526 1.00 0.00 C ATOM 649 CG1 ILE A 798 3.845 -3.511 -8.339 1.00 0.00 C ATOM 650 CG2 ILE A 798 4.573 -1.159 -7.861 1.00 0.00 C ATOM 651 CD1 ILE A 798 4.102 -4.472 -7.200 1.00 0.00 C ATOM 0 H ILE A 798 5.606 -4.322 -10.077 1.00 0.00 H new ATOM 0 HA ILE A 798 4.341 -1.874 -10.506 1.00 0.00 H new ATOM 0 HB ILE A 798 5.860 -2.851 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 798 2.902 -2.994 -8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 798 3.729 -4.078 -9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 798 4.374 -1.330 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 798 5.393 -0.448 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 798 3.680 -0.756 -8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 798 3.275 -5.178 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 798 5.028 -5.016 -7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 798 4.188 -3.915 -6.267 1.00 0.00 H new ATOM 663 N ASN A 799 7.598 -1.686 -9.923 1.00 0.00 N ATOM 664 CA ASN A 799 8.761 -0.814 -10.029 1.00 0.00 C ATOM 665 C ASN A 799 8.878 -0.235 -11.435 1.00 0.00 C ATOM 666 O ASN A 799 9.329 0.895 -11.617 1.00 0.00 O ATOM 667 CB ASN A 799 10.037 -1.578 -9.674 1.00 0.00 C ATOM 668 CG ASN A 799 11.165 -0.656 -9.255 1.00 0.00 C ATOM 669 OD1 ASN A 799 11.136 0.544 -9.532 1.00 0.00 O ATOM 670 ND2 ASN A 799 12.166 -1.212 -8.583 1.00 0.00 N ATOM 0 H ASN A 799 7.813 -2.644 -9.647 1.00 0.00 H new ATOM 0 HA ASN A 799 8.632 0.007 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 799 9.825 -2.279 -8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 799 10.354 -2.169 -10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 799 12.953 -0.641 -8.274 1.00 0.00 H new ATOM 0 HD22 ASN A 799 12.148 -2.211 -8.375 1.00 0.00 H new ATOM 891 N THR A 814 10.140 -2.904 -2.719 1.00 0.00 N ATOM 892 CA THR A 814 10.527 -4.180 -2.123 1.00 0.00 C ATOM 893 C THR A 814 9.652 -4.517 -0.920 1.00 0.00 C ATOM 894 O THR A 814 10.010 -5.360 -0.096 1.00 0.00 O ATOM 895 CB THR A 814 12.005 -4.178 -1.684 1.00 0.00 C ATOM 896 OG1 THR A 814 12.718 -3.136 -2.360 1.00 0.00 O ATOM 897 CG2 THR A 814 12.658 -5.521 -1.981 1.00 0.00 C ATOM 0 HA THR A 814 10.388 -4.938 -2.894 1.00 0.00 H new ATOM 0 HB THR A 814 12.041 -4.002 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 814 12.084 -2.569 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 814 13.700 -5.497 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 814 12.132 -6.309 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 814 12.610 -5.720 -3.052 1.00 0.00 H new ATOM 905 N LYS A 815 8.500 -3.857 -0.828 1.00 0.00 N ATOM 906 CA LYS A 815 7.568 -4.085 0.272 1.00 0.00 C ATOM 907 C LYS A 815 6.231 -3.404 0.001 1.00 0.00 C ATOM 908 O LYS A 815 6.162 -2.182 -0.125 1.00 0.00 O ATOM 909 CB LYS A 815 8.158 -3.570 1.587 1.00 0.00 C ATOM 910 CG LYS A 815 8.309 -4.648 2.647 1.00 0.00 C ATOM 911 CD LYS A 815 7.004 -4.885 3.391 1.00 0.00 C ATOM 912 CE LYS A 815 7.151 -4.603 4.877 1.00 0.00 C ATOM 913 NZ LYS A 815 8.125 -5.526 5.524 1.00 0.00 N ATOM 0 H LYS A 815 8.190 -3.159 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 815 7.400 -5.159 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 815 9.134 -3.127 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 815 7.520 -2.776 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 815 8.636 -5.577 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 815 9.085 -4.357 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 815 6.225 -4.247 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 815 6.683 -5.916 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 815 7.477 -3.573 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 815 6.180 -4.701 5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 7.958 -5.543 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 8.005 -6.484 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 9.093 -5.196 5.337 1.00 0.00 H new ATOM 927 N ILE A 816 5.173 -4.203 -0.086 1.00 0.00 N ATOM 928 CA ILE A 816 3.837 -3.677 -0.342 1.00 0.00 C ATOM 929 C ILE A 816 2.781 -4.485 0.404 1.00 0.00 C ATOM 930 O ILE A 816 2.968 -5.673 0.668 1.00 0.00 O ATOM 931 CB ILE A 816 3.505 -3.692 -1.846 1.00 0.00 C ATOM 932 CG1 ILE A 816 3.943 -5.018 -2.473 1.00 0.00 C ATOM 933 CG2 ILE A 816 4.175 -2.521 -2.548 1.00 0.00 C ATOM 934 CD1 ILE A 816 3.250 -5.327 -3.782 1.00 0.00 C ATOM 0 H ILE A 816 5.215 -5.217 0.017 1.00 0.00 H new ATOM 0 HA ILE A 816 3.828 -2.647 0.014 1.00 0.00 H new ATOM 0 HB ILE A 816 2.426 -3.593 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 816 5.020 -4.994 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 816 3.747 -5.826 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 816 3.931 -2.545 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 816 3.820 -1.586 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 816 5.255 -2.591 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 816 3.610 -6.281 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 816 2.174 -5.384 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 816 3.467 -4.539 -4.503 1.00 0.00 H new ATOM 946 N LYS A 817 1.670 -3.836 0.742 1.00 0.00 N ATOM 947 CA LYS A 817 0.587 -4.505 1.458 1.00 0.00 C ATOM 948 C LYS A 817 -0.647 -4.645 0.574 1.00 0.00 C ATOM 949 O LYS A 817 -1.100 -3.675 -0.034 1.00 0.00 O ATOM 950 CB LYS A 817 0.232 -3.738 2.731 1.00 0.00 C ATOM 951 CG LYS A 817 1.104 -4.104 3.921 1.00 0.00 C ATOM 952 CD LYS A 817 0.460 -3.685 5.232 1.00 0.00 C ATOM 953 CE LYS A 817 1.289 -4.128 6.426 1.00 0.00 C ATOM 954 NZ LYS A 817 0.882 -3.428 7.676 1.00 0.00 N ATOM 0 H LYS A 817 1.496 -2.853 0.533 1.00 0.00 H new ATOM 0 HA LYS A 817 0.932 -5.502 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 817 0.323 -2.669 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 817 -0.811 -3.929 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 817 1.279 -5.180 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 817 2.077 -3.623 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 817 0.343 -2.602 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 817 -0.539 -4.115 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 817 1.183 -5.204 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 817 2.343 -3.934 6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 817 1.471 -3.758 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 817 1.007 -2.403 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 817 -0.117 -3.634 7.880 1.00 0.00 H new ATOM 968 N TYR A 818 -1.186 -5.858 0.510 1.00 0.00 N ATOM 969 CA TYR A 818 -2.368 -6.127 -0.300 1.00 0.00 C ATOM 970 C TYR A 818 -3.615 -6.246 0.573 1.00 0.00 C ATOM 971 O TYR A 818 -3.549 -6.719 1.707 1.00 0.00 O ATOM 972 CB TYR A 818 -2.170 -7.406 -1.117 1.00 0.00 C ATOM 973 CG TYR A 818 -2.231 -8.676 -0.298 1.00 0.00 C ATOM 974 CD1 TYR A 818 -1.152 -9.076 0.482 1.00 0.00 C ATOM 975 CD2 TYR A 818 -3.366 -9.478 -0.307 1.00 0.00 C ATOM 976 CE1 TYR A 818 -1.203 -10.237 1.228 1.00 0.00 C ATOM 977 CE2 TYR A 818 -3.424 -10.640 0.438 1.00 0.00 C ATOM 978 CZ TYR A 818 -2.342 -11.015 1.204 1.00 0.00 C ATOM 979 OH TYR A 818 -2.397 -12.172 1.947 1.00 0.00 O ATOM 0 H TYR A 818 -0.823 -6.670 1.009 1.00 0.00 H new ATOM 0 HA TYR A 818 -2.510 -5.289 -0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 818 -2.933 -7.450 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 818 -1.205 -7.357 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 818 -0.259 -8.469 0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 818 -4.217 -9.188 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 818 -0.355 -10.534 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 818 -4.314 -11.252 0.420 1.00 0.00 H new ATOM 0 HH TYR A 818 -3.269 -12.601 1.820 1.00 0.00 H new ATOM 989 N GLN A 819 -4.749 -5.810 0.034 1.00 0.00 N ATOM 990 CA GLN A 819 -6.013 -5.863 0.760 1.00 0.00 C ATOM 991 C GLN A 819 -6.535 -7.294 0.845 1.00 0.00 C ATOM 992 O GLN A 819 -6.474 -8.045 -0.129 1.00 0.00 O ATOM 993 CB GLN A 819 -7.050 -4.968 0.078 1.00 0.00 C ATOM 994 CG GLN A 819 -8.349 -4.835 0.856 1.00 0.00 C ATOM 995 CD GLN A 819 -9.354 -3.936 0.163 1.00 0.00 C ATOM 996 OE1 GLN A 819 -9.460 -3.933 -1.063 1.00 0.00 O ATOM 997 NE2 GLN A 819 -10.097 -3.164 0.947 1.00 0.00 N ATOM 0 H GLN A 819 -4.819 -5.416 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 819 -5.838 -5.501 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 819 -6.621 -3.977 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 819 -7.269 -5.370 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 819 -8.787 -5.823 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 819 -8.135 -4.438 1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 819 -9.976 -3.198 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 819 -10.789 -2.536 0.537 1.00 0.00 H new ATOM 1006 N ASP A 820 -7.047 -7.664 2.015 1.00 0.00 N ATOM 1007 CA ASP A 820 -7.579 -9.006 2.227 1.00 0.00 C ATOM 1008 C ASP A 820 -9.083 -9.042 1.974 1.00 0.00 C ATOM 1009 O ASP A 820 -9.680 -8.042 1.576 1.00 0.00 O ATOM 1010 CB ASP A 820 -7.278 -9.479 3.650 1.00 0.00 C ATOM 1011 CG ASP A 820 -6.678 -10.871 3.683 1.00 0.00 C ATOM 1012 OD1 ASP A 820 -5.866 -11.190 2.789 1.00 0.00 O ATOM 1013 OD2 ASP A 820 -7.021 -11.643 4.604 1.00 0.00 O ATOM 0 H ASP A 820 -7.105 -7.054 2.830 1.00 0.00 H new ATOM 0 HA ASP A 820 -7.093 -9.677 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 820 -6.590 -8.779 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 820 -8.198 -9.469 4.235 1.00 0.00 H new ATOM 1018 N GLU A 821 -9.689 -10.203 2.208 1.00 0.00 N ATOM 1019 CA GLU A 821 -11.125 -10.373 2.007 1.00 0.00 C ATOM 1020 C GLU A 821 -11.915 -9.565 3.030 1.00 0.00 C ATOM 1021 O GLU A 821 -13.086 -9.248 2.816 1.00 0.00 O ATOM 1022 CB GLU A 821 -11.504 -11.853 2.103 1.00 0.00 C ATOM 1023 CG GLU A 821 -10.998 -12.530 3.367 1.00 0.00 C ATOM 1024 CD GLU A 821 -11.365 -13.999 3.428 1.00 0.00 C ATOM 1025 OE1 GLU A 821 -10.637 -14.819 2.831 1.00 0.00 O ATOM 1026 OE2 GLU A 821 -12.381 -14.331 4.075 1.00 0.00 O ATOM 0 H GLU A 821 -9.208 -11.040 2.537 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.374 -10.007 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.589 -11.945 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.106 -12.379 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.914 -12.428 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.410 -12.020 4.238 1.00 0.00 H new ATOM 1033 N ASP A 822 -11.267 -9.231 4.141 1.00 0.00 N ATOM 1034 CA ASP A 822 -11.907 -8.457 5.198 1.00 0.00 C ATOM 1035 C ASP A 822 -11.548 -6.980 5.078 1.00 0.00 C ATOM 1036 O ASP A 822 -11.882 -6.176 5.947 1.00 0.00 O ATOM 1037 CB ASP A 822 -11.490 -8.986 6.571 1.00 0.00 C ATOM 1038 CG ASP A 822 -12.593 -8.849 7.603 1.00 0.00 C ATOM 1039 OD1 ASP A 822 -13.762 -9.134 7.264 1.00 0.00 O ATOM 1040 OD2 ASP A 822 -12.288 -8.457 8.749 1.00 0.00 O ATOM 0 H ASP A 822 -10.298 -9.485 4.333 1.00 0.00 H new ATOM 0 HA ASP A 822 -12.987 -8.562 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 822 -11.207 -10.035 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 822 -10.607 -8.446 6.913 1.00 0.00 H new ATOM 1045 N GLY A 823 -10.863 -6.631 3.992 1.00 0.00 N ATOM 1046 CA GLY A 823 -10.466 -5.253 3.775 1.00 0.00 C ATOM 1047 C GLY A 823 -9.366 -4.812 4.719 1.00 0.00 C ATOM 1048 O GLY A 823 -9.417 -3.712 5.271 1.00 0.00 O ATOM 0 H GLY A 823 -10.576 -7.280 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 823 -10.127 -5.133 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 823 -11.332 -4.604 3.903 1.00 0.00 H new ATOM 1052 N ASP A 824 -8.370 -5.672 4.906 1.00 0.00 N ATOM 1053 CA ASP A 824 -7.253 -5.367 5.792 1.00 0.00 C ATOM 1054 C ASP A 824 -5.922 -5.531 5.065 1.00 0.00 C ATOM 1055 O ASP A 824 -5.604 -6.612 4.568 1.00 0.00 O ATOM 1056 CB ASP A 824 -7.289 -6.273 7.024 1.00 0.00 C ATOM 1057 CG ASP A 824 -6.673 -5.615 8.243 1.00 0.00 C ATOM 1058 OD1 ASP A 824 -5.429 -5.572 8.330 1.00 0.00 O ATOM 1059 OD2 ASP A 824 -7.437 -5.144 9.112 1.00 0.00 O ATOM 0 H ASP A 824 -8.314 -6.586 4.456 1.00 0.00 H new ATOM 0 HA ASP A 824 -7.348 -4.329 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 824 -8.322 -6.543 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 824 -6.757 -7.199 6.806 1.00 0.00 H new ATOM 1064 N PHE A 825 -5.149 -4.452 5.011 1.00 0.00 N ATOM 1065 CA PHE A 825 -3.850 -4.475 4.348 1.00 0.00 C ATOM 1066 C PHE A 825 -2.878 -5.384 5.093 1.00 0.00 C ATOM 1067 O PHE A 825 -2.420 -5.057 6.188 1.00 0.00 O ATOM 1068 CB PHE A 825 -3.278 -3.059 4.256 1.00 0.00 C ATOM 1069 CG PHE A 825 -4.280 -2.039 3.794 1.00 0.00 C ATOM 1070 CD1 PHE A 825 -4.657 -1.972 2.462 1.00 0.00 C ATOM 1071 CD2 PHE A 825 -4.843 -1.147 4.692 1.00 0.00 C ATOM 1072 CE1 PHE A 825 -5.579 -1.035 2.034 1.00 0.00 C ATOM 1073 CE2 PHE A 825 -5.766 -0.208 4.271 1.00 0.00 C ATOM 1074 CZ PHE A 825 -6.134 -0.152 2.940 1.00 0.00 C ATOM 0 H PHE A 825 -5.399 -3.551 5.418 1.00 0.00 H new ATOM 0 HA PHE A 825 -3.988 -4.869 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 825 -2.896 -2.765 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 825 -2.431 -3.061 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 825 -4.225 -2.660 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 825 -4.558 -1.186 5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 825 -5.865 -0.993 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 825 -6.199 0.481 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 825 -6.855 0.581 2.609 1.00 0.00 H new ATOM 1084 N VAL A 826 -2.571 -6.529 4.492 1.00 0.00 N ATOM 1085 CA VAL A 826 -1.657 -7.491 5.097 1.00 0.00 C ATOM 1086 C VAL A 826 -0.298 -7.469 4.408 1.00 0.00 C ATOM 1087 O VAL A 826 -0.192 -7.125 3.230 1.00 0.00 O ATOM 1088 CB VAL A 826 -2.223 -8.924 5.046 1.00 0.00 C ATOM 1089 CG1 VAL A 826 -2.865 -9.291 6.374 1.00 0.00 C ATOM 1090 CG2 VAL A 826 -3.220 -9.073 3.906 1.00 0.00 C ATOM 0 H VAL A 826 -2.942 -6.813 3.586 1.00 0.00 H new ATOM 0 HA VAL A 826 -1.539 -7.195 6.139 1.00 0.00 H new ATOM 0 HB VAL A 826 -1.397 -9.611 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 826 -3.259 -10.306 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 826 -2.119 -9.233 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 826 -3.678 -8.597 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 826 -3.605 -10.092 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 826 -4.045 -8.375 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 826 -2.725 -8.858 2.959 1.00 0.00 H new ATOM 1100 N VAL A 827 0.742 -7.836 5.151 1.00 0.00 N ATOM 1101 CA VAL A 827 2.098 -7.860 4.617 1.00 0.00 C ATOM 1102 C VAL A 827 2.250 -8.937 3.547 1.00 0.00 C ATOM 1103 O VAL A 827 1.527 -9.934 3.549 1.00 0.00 O ATOM 1104 CB VAL A 827 3.137 -8.105 5.727 1.00 0.00 C ATOM 1105 CG1 VAL A 827 4.534 -7.750 5.240 1.00 0.00 C ATOM 1106 CG2 VAL A 827 2.785 -7.314 6.977 1.00 0.00 C ATOM 0 H VAL A 827 0.670 -8.122 6.128 1.00 0.00 H new ATOM 0 HA VAL A 827 2.278 -6.881 4.172 1.00 0.00 H new ATOM 0 HB VAL A 827 3.123 -9.165 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 827 5.254 -7.930 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 827 4.786 -8.367 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 827 4.564 -6.698 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 827 3.532 -7.502 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 827 2.766 -6.250 6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 827 1.804 -7.623 7.339 1.00 0.00 H new ATOM 1116 N LEU A 828 3.196 -8.729 2.638 1.00 0.00 N ATOM 1117 CA LEU A 828 3.449 -9.680 1.561 1.00 0.00 C ATOM 1118 C LEU A 828 4.933 -9.710 1.206 1.00 0.00 C ATOM 1119 O LEU A 828 5.408 -8.895 0.414 1.00 0.00 O ATOM 1120 CB LEU A 828 2.619 -9.314 0.327 1.00 0.00 C ATOM 1121 CG LEU A 828 2.846 -10.204 -0.896 1.00 0.00 C ATOM 1122 CD1 LEU A 828 1.726 -11.222 -1.032 1.00 0.00 C ATOM 1123 CD2 LEU A 828 2.955 -9.358 -2.155 1.00 0.00 C ATOM 0 H LEU A 828 3.802 -7.908 2.625 1.00 0.00 H new ATOM 0 HA LEU A 828 3.156 -10.673 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 828 1.563 -9.353 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 828 2.840 -8.283 0.052 1.00 0.00 H new ATOM 0 HG LEU A 828 3.783 -10.743 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 828 1.906 -11.846 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 828 1.694 -11.849 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 828 0.774 -10.703 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 828 3.116 -10.006 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 828 2.034 -8.792 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 828 3.793 -8.668 -2.058 1.00 0.00 H new ATOM 1135 N GLY A 829 5.660 -10.653 1.799 1.00 0.00 N ATOM 1136 CA GLY A 829 7.083 -10.770 1.534 1.00 0.00 C ATOM 1137 C GLY A 829 7.531 -12.210 1.382 1.00 0.00 C ATOM 1138 O GLY A 829 8.637 -12.567 1.787 1.00 0.00 O ATOM 0 H GLY A 829 5.289 -11.338 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 829 7.326 -10.220 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 829 7.640 -10.304 2.347 1.00 0.00 H new ATOM 1142 N SER A 830 6.672 -13.037 0.797 1.00 0.00 N ATOM 1143 CA SER A 830 6.986 -14.446 0.591 1.00 0.00 C ATOM 1144 C SER A 830 6.200 -15.012 -0.586 1.00 0.00 C ATOM 1145 O SER A 830 5.073 -14.591 -0.852 1.00 0.00 O ATOM 1146 CB SER A 830 6.681 -15.251 1.855 1.00 0.00 C ATOM 1147 OG SER A 830 5.285 -15.382 2.053 1.00 0.00 O ATOM 0 H SER A 830 5.752 -12.756 0.457 1.00 0.00 H new ATOM 0 HA SER A 830 8.050 -14.524 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 830 7.135 -16.239 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 830 7.129 -14.760 2.719 1.00 0.00 H new ATOM 0 HG SER A 830 4.947 -14.596 2.531 1.00 0.00 H new ATOM 1153 N ASP A 831 6.801 -15.966 -1.290 1.00 0.00 N ATOM 1154 CA ASP A 831 6.158 -16.590 -2.440 1.00 0.00 C ATOM 1155 C ASP A 831 4.860 -17.278 -2.028 1.00 0.00 C ATOM 1156 O ASP A 831 3.934 -17.409 -2.830 1.00 0.00 O ATOM 1157 CB ASP A 831 7.103 -17.602 -3.090 1.00 0.00 C ATOM 1158 CG ASP A 831 8.430 -16.984 -3.483 1.00 0.00 C ATOM 1159 OD1 ASP A 831 8.455 -15.773 -3.792 1.00 0.00 O ATOM 1160 OD2 ASP A 831 9.446 -17.711 -3.484 1.00 0.00 O ATOM 0 H ASP A 831 7.734 -16.324 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 831 5.921 -15.809 -3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 831 7.280 -18.426 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 831 6.626 -18.024 -3.974 1.00 0.00 H new ATOM 1165 N GLU A 832 4.799 -17.710 -0.773 1.00 0.00 N ATOM 1166 CA GLU A 832 3.614 -18.381 -0.252 1.00 0.00 C ATOM 1167 C GLU A 832 2.467 -17.393 -0.071 1.00 0.00 C ATOM 1168 O GLU A 832 1.315 -17.704 -0.371 1.00 0.00 O ATOM 1169 CB GLU A 832 3.928 -19.062 1.079 1.00 0.00 C ATOM 1170 CG GLU A 832 3.469 -20.509 1.147 1.00 0.00 C ATOM 1171 CD GLU A 832 3.896 -21.195 2.430 1.00 0.00 C ATOM 1172 OE1 GLU A 832 5.100 -21.146 2.758 1.00 0.00 O ATOM 1173 OE2 GLU A 832 3.026 -21.783 3.107 1.00 0.00 O ATOM 0 H GLU A 832 5.557 -17.607 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 832 3.310 -19.138 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 832 5.003 -19.022 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 832 3.454 -18.501 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 832 2.383 -20.546 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 832 3.873 -21.055 0.295 1.00 0.00 H new ATOM 1180 N ASP A 833 2.792 -16.199 0.420 1.00 0.00 N ATOM 1181 CA ASP A 833 1.788 -15.165 0.639 1.00 0.00 C ATOM 1182 C ASP A 833 1.055 -14.845 -0.659 1.00 0.00 C ATOM 1183 O ASP A 833 -0.164 -14.666 -0.668 1.00 0.00 O ATOM 1184 CB ASP A 833 2.438 -13.898 1.197 1.00 0.00 C ATOM 1185 CG ASP A 833 2.414 -13.856 2.712 1.00 0.00 C ATOM 1186 OD1 ASP A 833 1.369 -14.209 3.299 1.00 0.00 O ATOM 1187 OD2 ASP A 833 3.440 -13.473 3.312 1.00 0.00 O ATOM 0 H ASP A 833 3.742 -15.926 0.673 1.00 0.00 H new ATOM 0 HA ASP A 833 1.066 -15.540 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 833 3.470 -13.840 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 833 1.920 -13.023 0.804 1.00 0.00 H new ATOM 1192 N TRP A 834 1.806 -14.785 -1.754 1.00 0.00 N ATOM 1193 CA TRP A 834 1.229 -14.497 -3.061 1.00 0.00 C ATOM 1194 C TRP A 834 0.331 -15.646 -3.509 1.00 0.00 C ATOM 1195 O TRP A 834 -0.706 -15.429 -4.136 1.00 0.00 O ATOM 1196 CB TRP A 834 2.337 -14.258 -4.090 1.00 0.00 C ATOM 1197 CG TRP A 834 1.829 -14.112 -5.493 1.00 0.00 C ATOM 1198 CD1 TRP A 834 2.178 -14.872 -6.572 1.00 0.00 C ATOM 1199 CD2 TRP A 834 0.884 -13.147 -5.969 1.00 0.00 C ATOM 1200 NE1 TRP A 834 1.509 -14.438 -7.690 1.00 0.00 N ATOM 1201 CE2 TRP A 834 0.708 -13.381 -7.346 1.00 0.00 C ATOM 1202 CE3 TRP A 834 0.169 -12.107 -5.367 1.00 0.00 C ATOM 1203 CZ2 TRP A 834 -0.154 -12.616 -8.129 1.00 0.00 C ATOM 1204 CZ3 TRP A 834 -0.685 -11.348 -6.145 1.00 0.00 C ATOM 1205 CH2 TRP A 834 -0.840 -11.606 -7.513 1.00 0.00 C ATOM 0 H TRP A 834 2.815 -14.932 -1.762 1.00 0.00 H new ATOM 0 HA TRP A 834 0.625 -13.593 -2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 834 2.888 -13.358 -3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 834 3.042 -15.088 -4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 834 2.878 -15.694 -6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 834 1.595 -14.838 -8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 834 0.282 -11.900 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 834 -0.276 -12.813 -9.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 834 -1.242 -10.542 -5.690 1.00 0.00 H new ATOM 0 HH2 TRP A 834 -1.515 -10.995 -8.093 1.00 0.00 H new ATOM 1216 N ASN A 835 0.735 -16.869 -3.175 1.00 0.00 N ATOM 1217 CA ASN A 835 -0.033 -18.055 -3.535 1.00 0.00 C ATOM 1218 C ASN A 835 -1.412 -18.015 -2.886 1.00 0.00 C ATOM 1219 O ASN A 835 -2.431 -18.202 -3.554 1.00 0.00 O ATOM 1220 CB ASN A 835 0.709 -19.323 -3.104 1.00 0.00 C ATOM 1221 CG ASN A 835 -0.199 -20.537 -3.057 1.00 0.00 C ATOM 1222 OD1 ASN A 835 -0.802 -20.917 -4.060 1.00 0.00 O ATOM 1223 ND2 ASN A 835 -0.302 -21.152 -1.884 1.00 0.00 N ATOM 0 H ASN A 835 1.591 -17.063 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 835 -0.154 -18.068 -4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 835 1.530 -19.513 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 835 1.151 -19.165 -2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -0.899 -21.973 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 835 0.216 -20.803 -1.078 1.00 0.00 H new ATOM 1230 N VAL A 836 -1.435 -17.765 -1.582 1.00 0.00 N ATOM 1231 CA VAL A 836 -2.685 -17.693 -0.837 1.00 0.00 C ATOM 1232 C VAL A 836 -3.545 -16.537 -1.334 1.00 0.00 C ATOM 1233 O VAL A 836 -4.774 -16.612 -1.318 1.00 0.00 O ATOM 1234 CB VAL A 836 -2.431 -17.524 0.673 1.00 0.00 C ATOM 1235 CG1 VAL A 836 -3.720 -17.709 1.459 1.00 0.00 C ATOM 1236 CG2 VAL A 836 -1.363 -18.500 1.147 1.00 0.00 C ATOM 0 H VAL A 836 -0.600 -17.608 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 836 -3.212 -18.633 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 836 -2.070 -16.511 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 836 -3.518 -17.586 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 836 -4.451 -16.966 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 836 -4.116 -18.708 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 836 -1.197 -18.366 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 836 -1.693 -19.521 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 836 -0.434 -18.312 0.609 1.00 0.00 H new ATOM 1246 N ALA A 837 -2.888 -15.471 -1.781 1.00 0.00 N ATOM 1247 CA ALA A 837 -3.590 -14.300 -2.293 1.00 0.00 C ATOM 1248 C ALA A 837 -4.431 -14.667 -3.509 1.00 0.00 C ATOM 1249 O ALA A 837 -5.542 -14.166 -3.684 1.00 0.00 O ATOM 1250 CB ALA A 837 -2.600 -13.200 -2.641 1.00 0.00 C ATOM 0 H ALA A 837 -1.871 -15.394 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 837 -4.258 -13.931 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -3.139 -12.333 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -2.042 -12.917 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -1.908 -13.560 -3.403 1.00 0.00 H new ATOM 1256 N LYS A 838 -3.894 -15.552 -4.344 1.00 0.00 N ATOM 1257 CA LYS A 838 -4.596 -15.998 -5.541 1.00 0.00 C ATOM 1258 C LYS A 838 -5.827 -16.813 -5.163 1.00 0.00 C ATOM 1259 O LYS A 838 -6.899 -16.647 -5.744 1.00 0.00 O ATOM 1260 CB LYS A 838 -3.667 -16.833 -6.423 1.00 0.00 C ATOM 1261 CG LYS A 838 -2.731 -15.999 -7.283 1.00 0.00 C ATOM 1262 CD LYS A 838 -1.277 -16.375 -7.051 1.00 0.00 C ATOM 1263 CE LYS A 838 -0.876 -17.588 -7.875 1.00 0.00 C ATOM 1264 NZ LYS A 838 -1.422 -17.526 -9.259 1.00 0.00 N ATOM 0 H LYS A 838 -2.975 -15.974 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 838 -4.915 -15.118 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 838 -3.074 -17.492 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 838 -4.270 -17.470 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 838 -2.981 -16.139 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 838 -2.875 -14.942 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 838 -0.637 -15.531 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 838 -1.119 -16.584 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 838 0.211 -17.655 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 838 -1.233 -18.494 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 838 -0.814 -18.079 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 838 -2.385 -17.920 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 838 -1.449 -16.536 -9.578 1.00 0.00 H new ATOM 1278 N GLU A 839 -5.665 -17.690 -4.176 1.00 0.00 N ATOM 1279 CA GLU A 839 -6.761 -18.526 -3.709 1.00 0.00 C ATOM 1280 C GLU A 839 -7.871 -17.666 -3.116 1.00 0.00 C ATOM 1281 O GLU A 839 -9.039 -18.052 -3.113 1.00 0.00 O ATOM 1282 CB GLU A 839 -6.259 -19.527 -2.666 1.00 0.00 C ATOM 1283 CG GLU A 839 -5.206 -20.484 -3.201 1.00 0.00 C ATOM 1284 CD GLU A 839 -5.669 -21.927 -3.187 1.00 0.00 C ATOM 1285 OE1 GLU A 839 -5.952 -22.449 -2.089 1.00 0.00 O ATOM 1286 OE2 GLU A 839 -5.749 -22.535 -4.275 1.00 0.00 O ATOM 0 H GLU A 839 -4.783 -17.838 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 839 -7.162 -19.076 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -5.845 -18.980 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -7.105 -20.103 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -4.946 -20.200 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -4.299 -20.391 -2.603 1.00 0.00 H new ATOM 1293 N MET A 840 -7.493 -16.490 -2.622 1.00 0.00 N ATOM 1294 CA MET A 840 -8.449 -15.561 -2.033 1.00 0.00 C ATOM 1295 C MET A 840 -9.346 -14.964 -3.111 1.00 0.00 C ATOM 1296 O MET A 840 -10.565 -14.892 -2.950 1.00 0.00 O ATOM 1297 CB MET A 840 -7.712 -14.446 -1.286 1.00 0.00 C ATOM 1298 CG MET A 840 -8.633 -13.382 -0.710 1.00 0.00 C ATOM 1299 SD MET A 840 -7.839 -12.397 0.576 1.00 0.00 S ATOM 1300 CE MET A 840 -6.752 -11.366 -0.407 1.00 0.00 C ATOM 0 H MET A 840 -6.528 -16.159 -2.619 1.00 0.00 H new ATOM 0 HA MET A 840 -9.072 -16.108 -1.325 1.00 0.00 H new ATOM 0 HB2 MET A 840 -7.130 -14.887 -0.477 1.00 0.00 H new ATOM 0 HB3 MET A 840 -7.004 -13.972 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 840 -8.967 -12.724 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 840 -9.522 -13.860 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 840 -6.166 -10.725 0.251 1.00 0.00 H new ATOM 0 HE2 MET A 840 -6.082 -11.997 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 840 -7.347 -10.748 -1.080 1.00 0.00 H new ATOM 1310 N LEU A 841 -8.733 -14.541 -4.213 1.00 0.00 N ATOM 1311 CA LEU A 841 -9.472 -13.953 -5.323 1.00 0.00 C ATOM 1312 C LEU A 841 -10.183 -15.032 -6.134 1.00 0.00 C ATOM 1313 O LEU A 841 -11.111 -14.743 -6.890 1.00 0.00 O ATOM 1314 CB LEU A 841 -8.528 -13.161 -6.230 1.00 0.00 C ATOM 1315 CG LEU A 841 -7.433 -12.377 -5.503 1.00 0.00 C ATOM 1316 CD1 LEU A 841 -6.329 -11.979 -6.471 1.00 0.00 C ATOM 1317 CD2 LEU A 841 -8.020 -11.146 -4.827 1.00 0.00 C ATOM 0 H LEU A 841 -7.725 -14.595 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 841 -10.221 -13.278 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -8.056 -13.852 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -9.120 -12.464 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 841 -7.001 -13.019 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -5.559 -11.422 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -5.890 -12.875 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -6.746 -11.354 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -7.228 -10.600 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -8.478 -10.502 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -8.775 -11.453 -4.104 1.00 0.00 H new ATOM 1329 N ALA A 842 -9.740 -16.274 -5.971 1.00 0.00 N ATOM 1330 CA ALA A 842 -10.331 -17.398 -6.689 1.00 0.00 C ATOM 1331 C ALA A 842 -11.639 -17.840 -6.041 1.00 0.00 C ATOM 1332 O ALA A 842 -12.585 -18.221 -6.731 1.00 0.00 O ATOM 1333 CB ALA A 842 -9.351 -18.559 -6.749 1.00 0.00 C ATOM 0 H ALA A 842 -8.973 -16.528 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 842 -10.553 -17.071 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 842 -9.805 -19.391 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 842 -8.445 -18.244 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 842 -9.100 -18.876 -5.737 1.00 0.00 H new ATOM 1339 N GLU A 843 -11.685 -17.788 -4.713 1.00 0.00 N ATOM 1340 CA GLU A 843 -12.879 -18.185 -3.974 1.00 0.00 C ATOM 1341 C GLU A 843 -13.808 -16.994 -3.759 1.00 0.00 C ATOM 1342 O GLU A 843 -14.929 -17.150 -3.275 1.00 0.00 O ATOM 1343 CB GLU A 843 -12.492 -18.795 -2.626 1.00 0.00 C ATOM 1344 CG GLU A 843 -12.249 -20.294 -2.684 1.00 0.00 C ATOM 1345 CD GLU A 843 -11.152 -20.742 -1.740 1.00 0.00 C ATOM 1346 OE1 GLU A 843 -11.261 -20.463 -0.528 1.00 0.00 O ATOM 1347 OE2 GLU A 843 -10.184 -21.373 -2.213 1.00 0.00 O ATOM 0 H GLU A 843 -10.911 -17.475 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 843 -13.408 -18.933 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 843 -11.591 -18.303 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 843 -13.283 -18.591 -1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 843 -13.172 -20.818 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 843 -11.985 -20.577 -3.703 1.00 0.00 H new ATOM 1354 N ASN A 844 -13.335 -15.806 -4.122 1.00 0.00 N ATOM 1355 CA ASN A 844 -14.124 -14.590 -3.969 1.00 0.00 C ATOM 1356 C ASN A 844 -14.416 -13.956 -5.325 1.00 0.00 C ATOM 1357 O ASN A 844 -15.105 -12.939 -5.410 1.00 0.00 O ATOM 1358 CB ASN A 844 -13.389 -13.589 -3.076 1.00 0.00 C ATOM 1359 CG ASN A 844 -14.178 -13.237 -1.830 1.00 0.00 C ATOM 1360 OD1 ASN A 844 -15.263 -12.662 -1.911 1.00 0.00 O ATOM 1361 ND2 ASN A 844 -13.635 -13.582 -0.669 1.00 0.00 N ATOM 0 H ASN A 844 -12.409 -15.660 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 844 -15.071 -14.859 -3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 844 -12.424 -14.005 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 844 -13.187 -12.680 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 844 -14.120 -13.371 0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 844 -12.733 -14.058 -0.649 1.00 0.00 H new ATOM 1368 N ASN A 845 -13.883 -14.563 -6.384 1.00 0.00 N ATOM 1369 CA ASN A 845 -14.080 -14.063 -7.741 1.00 0.00 C ATOM 1370 C ASN A 845 -13.560 -12.635 -7.879 1.00 0.00 C ATOM 1371 O ASN A 845 -13.919 -11.921 -8.814 1.00 0.00 O ATOM 1372 CB ASN A 845 -15.562 -14.118 -8.121 1.00 0.00 C ATOM 1373 CG ASN A 845 -15.811 -14.965 -9.354 1.00 0.00 C ATOM 1374 OD1 ASN A 845 -15.421 -14.599 -10.462 1.00 0.00 O ATOM 1375 ND2 ASN A 845 -16.463 -16.106 -9.165 1.00 0.00 N ATOM 0 H ASN A 845 -13.310 -15.405 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 845 -13.515 -14.702 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 845 -16.134 -14.521 -7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 845 -15.927 -13.106 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 845 -16.659 -16.719 -9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 845 -16.768 -16.370 -8.228 1.00 0.00 H new ATOM 1382 N GLU A 846 -12.711 -12.227 -6.941 1.00 0.00 N ATOM 1383 CA GLU A 846 -12.139 -10.886 -6.956 1.00 0.00 C ATOM 1384 C GLU A 846 -11.169 -10.724 -8.120 1.00 0.00 C ATOM 1385 O GLU A 846 -10.220 -11.496 -8.262 1.00 0.00 O ATOM 1386 CB GLU A 846 -11.423 -10.599 -5.635 1.00 0.00 C ATOM 1387 CG GLU A 846 -12.035 -9.453 -4.846 1.00 0.00 C ATOM 1388 CD GLU A 846 -11.709 -9.525 -3.366 1.00 0.00 C ATOM 1389 OE1 GLU A 846 -12.434 -10.229 -2.633 1.00 0.00 O ATOM 1390 OE2 GLU A 846 -10.729 -8.878 -2.942 1.00 0.00 O ATOM 0 H GLU A 846 -12.404 -12.807 -6.160 1.00 0.00 H new ATOM 0 HA GLU A 846 -12.952 -10.171 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 846 -11.437 -11.500 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 846 -10.377 -10.370 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 846 -11.674 -8.506 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 846 -13.117 -9.463 -4.977 1.00 0.00 H new ATOM 1397 N LYS A 847 -11.416 -9.719 -8.953 1.00 0.00 N ATOM 1398 CA LYS A 847 -10.565 -9.457 -10.109 1.00 0.00 C ATOM 1399 C LYS A 847 -9.731 -8.197 -9.899 1.00 0.00 C ATOM 1400 O LYS A 847 -9.157 -7.657 -10.845 1.00 0.00 O ATOM 1401 CB LYS A 847 -11.413 -9.317 -11.374 1.00 0.00 C ATOM 1402 CG LYS A 847 -10.940 -10.197 -12.520 1.00 0.00 C ATOM 1403 CD LYS A 847 -10.035 -9.431 -13.472 1.00 0.00 C ATOM 1404 CE LYS A 847 -10.327 -9.783 -14.922 1.00 0.00 C ATOM 1405 NZ LYS A 847 -9.949 -11.187 -15.241 1.00 0.00 N ATOM 0 H LYS A 847 -12.198 -9.072 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 847 -9.888 -10.303 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 847 -12.448 -9.566 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 847 -11.401 -8.276 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 847 -10.405 -11.059 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 847 -11.802 -10.581 -13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 847 -10.171 -8.360 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 847 -8.993 -9.655 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 847 -11.388 -9.638 -15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 847 -9.782 -9.103 -15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 847 -9.905 -11.309 -16.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 847 -9.019 -11.399 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 847 -10.659 -11.836 -14.846 1.00 0.00 H new ATOM 1419 N PHE A 848 -9.667 -7.737 -8.654 1.00 0.00 N ATOM 1420 CA PHE A 848 -8.899 -6.543 -8.316 1.00 0.00 C ATOM 1421 C PHE A 848 -8.426 -6.597 -6.867 1.00 0.00 C ATOM 1422 O PHE A 848 -9.004 -7.304 -6.042 1.00 0.00 O ATOM 1423 CB PHE A 848 -9.739 -5.283 -8.556 1.00 0.00 C ATOM 1424 CG PHE A 848 -10.697 -4.967 -7.441 1.00 0.00 C ATOM 1425 CD1 PHE A 848 -11.851 -5.712 -7.267 1.00 0.00 C ATOM 1426 CD2 PHE A 848 -10.442 -3.920 -6.569 1.00 0.00 C ATOM 1427 CE1 PHE A 848 -12.734 -5.422 -6.243 1.00 0.00 C ATOM 1428 CE2 PHE A 848 -11.320 -3.624 -5.543 1.00 0.00 C ATOM 1429 CZ PHE A 848 -12.468 -4.376 -5.380 1.00 0.00 C ATOM 0 H PHE A 848 -10.138 -8.173 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 848 -8.021 -6.506 -8.961 1.00 0.00 H new ATOM 0 HB2 PHE A 848 -9.070 -4.434 -8.698 1.00 0.00 H new ATOM 0 HB3 PHE A 848 -10.302 -5.404 -9.482 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -12.064 -6.530 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 848 -9.547 -3.329 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 848 -13.630 -6.012 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 848 -11.109 -2.806 -4.870 1.00 0.00 H new ATOM 0 HZ PHE A 848 -13.156 -4.147 -4.580 1.00 0.00 H new ATOM 1439 N LEU A 849 -7.369 -5.848 -6.565 1.00 0.00 N ATOM 1440 CA LEU A 849 -6.819 -5.818 -5.213 1.00 0.00 C ATOM 1441 C LEU A 849 -6.174 -4.469 -4.914 1.00 0.00 C ATOM 1442 O LEU A 849 -5.390 -3.953 -5.712 1.00 0.00 O ATOM 1443 CB LEU A 849 -5.794 -6.941 -5.036 1.00 0.00 C ATOM 1444 CG LEU A 849 -5.731 -7.554 -3.633 1.00 0.00 C ATOM 1445 CD1 LEU A 849 -7.092 -8.093 -3.218 1.00 0.00 C ATOM 1446 CD2 LEU A 849 -4.685 -8.657 -3.585 1.00 0.00 C ATOM 0 H LEU A 849 -6.878 -5.256 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 849 -7.638 -5.967 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 849 -6.019 -7.732 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 849 -4.807 -6.554 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 849 -5.446 -6.772 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 849 -7.024 -8.523 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 849 -7.819 -7.281 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 849 -7.410 -8.861 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 849 -4.651 -9.083 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 849 -4.945 -9.436 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 849 -3.708 -8.243 -3.836 1.00 0.00 H new ATOM 1458 N ASN A 850 -6.508 -3.904 -3.757 1.00 0.00 N ATOM 1459 CA ASN A 850 -5.963 -2.615 -3.343 1.00 0.00 C ATOM 1460 C ASN A 850 -4.613 -2.788 -2.654 1.00 0.00 C ATOM 1461 O ASN A 850 -4.500 -3.514 -1.666 1.00 0.00 O ATOM 1462 CB ASN A 850 -6.938 -1.906 -2.401 1.00 0.00 C ATOM 1463 CG ASN A 850 -7.946 -1.052 -3.145 1.00 0.00 C ATOM 1464 OD1 ASN A 850 -7.644 0.068 -3.557 1.00 0.00 O ATOM 1465 ND2 ASN A 850 -9.152 -1.579 -3.320 1.00 0.00 N ATOM 0 H ASN A 850 -7.156 -4.320 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.820 -2.007 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -7.467 -2.649 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -6.377 -1.279 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -9.872 -1.052 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -9.358 -2.511 -2.961 1.00 0.00 H new ATOM 1472 N ILE A 851 -3.593 -2.116 -3.179 1.00 0.00 N ATOM 1473 CA ILE A 851 -2.252 -2.199 -2.609 1.00 0.00 C ATOM 1474 C ILE A 851 -1.755 -0.829 -2.165 1.00 0.00 C ATOM 1475 O ILE A 851 -1.999 0.180 -2.831 1.00 0.00 O ATOM 1476 CB ILE A 851 -1.242 -2.791 -3.611 1.00 0.00 C ATOM 1477 CG1 ILE A 851 -1.900 -3.885 -4.459 1.00 0.00 C ATOM 1478 CG2 ILE A 851 -0.023 -3.333 -2.877 1.00 0.00 C ATOM 1479 CD1 ILE A 851 -2.410 -5.064 -3.655 1.00 0.00 C ATOM 0 H ILE A 851 -3.669 -1.510 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 851 -2.324 -2.859 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 851 -0.913 -1.997 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 851 -2.731 -3.450 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 851 -1.179 -4.244 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 851 0.681 -3.748 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 851 0.457 -2.526 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 851 -0.334 -4.114 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 851 -2.861 -5.794 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 851 -1.580 -5.527 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 851 -3.156 -4.720 -2.938 1.00 0.00 H new ATOM 1491 N ARG A 852 -1.052 -0.802 -1.038 1.00 0.00 N ATOM 1492 CA ARG A 852 -0.511 0.439 -0.502 1.00 0.00 C ATOM 1493 C ARG A 852 1.012 0.435 -0.558 1.00 0.00 C ATOM 1494 O ARG A 852 1.650 -0.596 -0.331 1.00 0.00 O ATOM 1495 CB ARG A 852 -0.980 0.648 0.939 1.00 0.00 C ATOM 1496 CG ARG A 852 -1.358 2.086 1.254 1.00 0.00 C ATOM 1497 CD ARG A 852 -1.749 2.253 2.713 1.00 0.00 C ATOM 1498 NE ARG A 852 -2.378 3.546 2.966 1.00 0.00 N ATOM 1499 CZ ARG A 852 -2.440 4.115 4.165 1.00 0.00 C ATOM 1500 NH1 ARG A 852 -1.916 3.505 5.221 1.00 0.00 N ATOM 1501 NH2 ARG A 852 -3.027 5.295 4.311 1.00 0.00 N ATOM 0 H ARG A 852 -0.844 -1.628 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 852 -0.878 1.261 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -1.840 0.005 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -0.189 0.332 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 852 -0.519 2.742 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 852 -2.187 2.393 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 852 -2.434 1.455 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 852 -0.863 2.152 3.340 1.00 0.00 H new ATOM 0 HE ARG A 852 -2.794 4.041 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -1.464 2.597 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -1.965 3.944 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 852 -3.432 5.767 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -3.074 5.731 5.232 1.00 0.00 H new ATOM 1515 N LEU A 853 1.588 1.595 -0.866 1.00 0.00 N ATOM 1516 CA LEU A 853 3.036 1.733 -0.957 1.00 0.00 C ATOM 1517 C LEU A 853 3.639 2.084 0.399 1.00 0.00 C ATOM 1518 O LEU A 853 3.006 2.754 1.216 1.00 0.00 O ATOM 1519 CB LEU A 853 3.400 2.809 -1.984 1.00 0.00 C ATOM 1520 CG LEU A 853 4.447 2.396 -3.021 1.00 0.00 C ATOM 1521 CD1 LEU A 853 5.775 2.085 -2.348 1.00 0.00 C ATOM 1522 CD2 LEU A 853 3.961 1.198 -3.824 1.00 0.00 C ATOM 0 H LEU A 853 1.071 2.453 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 853 3.448 0.776 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 853 2.493 3.110 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 853 3.766 3.687 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 853 4.598 3.230 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 853 6.506 1.793 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 853 6.131 2.970 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 853 5.641 1.269 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 853 4.719 0.919 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 853 3.779 0.359 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 853 3.036 1.457 -4.340 1.00 0.00 H new ATOM 1534 N TYR A 854 4.866 1.628 0.633 1.00 0.00 N ATOM 1535 CA TYR A 854 5.555 1.892 1.891 1.00 0.00 C ATOM 1536 C TYR A 854 7.017 2.248 1.648 1.00 0.00 C ATOM 1537 O TYR A 854 7.554 1.852 0.591 1.00 0.00 O ATOM 1538 CB TYR A 854 5.457 0.676 2.812 1.00 0.00 C ATOM 1539 CG TYR A 854 4.039 0.344 3.211 1.00 0.00 C ATOM 1540 CD1 TYR A 854 3.244 -0.463 2.408 1.00 0.00 C ATOM 1541 CD2 TYR A 854 3.492 0.846 4.384 1.00 0.00 C ATOM 1542 CE1 TYR A 854 1.944 -0.761 2.763 1.00 0.00 C ATOM 1543 CE2 TYR A 854 2.193 0.550 4.747 1.00 0.00 C ATOM 1544 CZ TYR A 854 1.422 -0.253 3.934 1.00 0.00 C ATOM 1545 OH TYR A 854 0.127 -0.547 4.292 1.00 0.00 O ATOM 1546 OXT TYR A 854 7.613 2.919 2.516 1.00 0.00 O ATOM 0 H TYR A 854 5.404 1.073 -0.033 1.00 0.00 H new ATOM 0 HA TYR A 854 5.071 2.743 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 854 5.898 -0.186 2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 854 6.047 0.860 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 854 3.649 -0.864 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 854 4.092 1.478 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 854 1.338 -1.389 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 854 1.783 0.946 5.664 1.00 0.00 H new ATOM 0 HH TYR A 854 0.051 -0.552 5.269 1.00 0.00 H new