USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 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 117 ASN :FLIP amide:sc= -0.517 F(o=-5.2!,f=-3.3) USER MOD Set 1.2: A 138 GLN : amide:sc= -2.74 K(o=-3.3,f=-12!) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -6.12! C(o=-3.8!,f=-14!) USER MOD Set 2.2: A 119 THR OG1 : rot 163:sc= 2.3 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.178 K(o=0.43,f=-1.1!) USER MOD Set 3.2: A 68 SER OG : rot 130:sc= 0.251 USER MOD Single : A 23 SER OG : rot 27:sc= 0.213 USER MOD Single : A 55 SER OG : rot -82:sc= 1.3 USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.05) USER MOD Single : A 74 GLN : amide:sc= -1.29! C(o=-1.3!,f=-1.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 78 SER OG : rot 150:sc= 0.651 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -10.8! C(o=-13!,f=-11!) USER MOD Single : A 93 THR OG1 : rot -109:sc= -0.774! USER MOD Single : A 95 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 105 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.5) USER MOD Single : A 106 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.32) USER MOD Single : A 109 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.1) USER MOD Single : A 115 SER OG : rot -121:sc= 2.05 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.4 F(o=-2.3,f=-1.4) USER MOD Single : A 128 SER OG : rot 30:sc= 0.448 USER MOD Single : A 133 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.27) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.584 -0.988 -1.846 1.00 0.00 N ATOM 306 CA SER A 23 12.603 0.299 -2.554 1.00 0.00 C ATOM 307 C SER A 23 11.279 1.038 -2.446 1.00 0.00 C ATOM 308 O SER A 23 10.247 0.559 -2.903 1.00 0.00 O ATOM 309 CB SER A 23 12.920 0.062 -4.014 1.00 0.00 C ATOM 310 OG SER A 23 14.087 -0.734 -4.155 1.00 0.00 O ATOM 0 HA SER A 23 13.368 0.919 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.077 -0.432 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.063 1.017 -4.519 1.00 0.00 H new ATOM 0 HG SER A 23 14.190 -1.306 -3.366 1.00 0.00 H new ATOM 315 N VAL A 24 11.317 2.228 -1.881 1.00 0.00 N ATOM 316 CA VAL A 24 10.097 2.907 -1.529 1.00 0.00 C ATOM 317 C VAL A 24 10.203 4.412 -1.728 1.00 0.00 C ATOM 318 O VAL A 24 11.299 4.942 -1.929 1.00 0.00 O ATOM 319 CB VAL A 24 9.777 2.589 -0.078 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.589 3.473 0.861 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.292 2.695 0.197 1.00 0.00 C ATOM 0 H VAL A 24 12.173 2.737 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 24 9.299 2.559 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 24 10.063 1.554 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.344 3.228 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.652 3.304 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.353 4.520 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.098 2.461 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.954 3.709 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.753 1.991 -0.438 1.00 0.00 H new ATOM 331 N PHE A 25 9.052 5.084 -1.651 1.00 0.00 N ATOM 332 CA PHE A 25 8.957 6.517 -1.872 1.00 0.00 C ATOM 333 C PHE A 25 7.480 6.904 -1.904 1.00 0.00 C ATOM 334 O PHE A 25 6.697 6.290 -1.198 1.00 0.00 O ATOM 335 CB PHE A 25 9.638 6.872 -3.201 1.00 0.00 C ATOM 336 CG PHE A 25 10.072 8.307 -3.320 1.00 0.00 C ATOM 337 CD1 PHE A 25 10.970 8.853 -2.417 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.579 9.109 -4.336 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.368 10.171 -2.527 1.00 0.00 C ATOM 340 CE2 PHE A 25 9.974 10.427 -4.452 1.00 0.00 C ATOM 341 CZ PHE A 25 10.869 10.959 -3.545 1.00 0.00 C ATOM 0 H PHE A 25 8.159 4.642 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 25 9.456 7.063 -1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.510 6.231 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.952 6.645 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.363 8.241 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.877 8.698 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.069 10.585 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.584 11.041 -5.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.178 11.990 -3.632 1.00 0.00 H new ATOM 350 N ARG A 26 7.125 7.917 -2.713 1.00 0.00 N ATOM 351 CA ARG A 26 5.727 8.328 -2.938 1.00 0.00 C ATOM 352 C ARG A 26 4.953 8.352 -1.614 1.00 0.00 C ATOM 353 O ARG A 26 5.163 9.237 -0.785 1.00 0.00 O ATOM 354 CB ARG A 26 5.059 7.369 -3.945 1.00 0.00 C ATOM 355 CG ARG A 26 3.957 7.978 -4.815 1.00 0.00 C ATOM 356 CD ARG A 26 2.874 8.672 -3.992 1.00 0.00 C ATOM 357 NE ARG A 26 1.524 8.503 -4.550 1.00 0.00 N ATOM 358 CZ ARG A 26 1.133 8.959 -5.749 1.00 0.00 C ATOM 359 NH1 ARG A 26 1.975 9.625 -6.523 1.00 0.00 N ATOM 360 NH2 ARG A 26 -0.111 8.749 -6.170 1.00 0.00 N ATOM 0 H ARG A 26 7.802 8.476 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 26 5.715 9.336 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.831 6.965 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.637 6.529 -3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.400 8.696 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.502 7.194 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.892 8.279 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.102 9.736 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 26 0.837 8.004 -3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.930 9.795 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.668 9.968 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.770 8.240 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.406 9.097 -7.082 1.00 0.00 H new ATOM 707 N SER A 55 -17.539 -10.312 -4.872 1.00 0.00 N ATOM 708 CA SER A 55 -16.157 -10.112 -4.487 1.00 0.00 C ATOM 709 C SER A 55 -15.984 -8.631 -4.188 1.00 0.00 C ATOM 710 O SER A 55 -16.718 -7.806 -4.736 1.00 0.00 O ATOM 711 CB SER A 55 -15.219 -10.529 -5.631 1.00 0.00 C ATOM 712 OG SER A 55 -15.716 -11.672 -6.313 1.00 0.00 O ATOM 0 HA SER A 55 -15.910 -10.717 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.108 -9.703 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.228 -10.743 -5.232 1.00 0.00 H new ATOM 0 HG SER A 55 -15.475 -12.481 -5.815 1.00 0.00 H new ATOM 717 N ALA A 56 -15.054 -8.277 -3.326 1.00 0.00 N ATOM 718 CA ALA A 56 -14.799 -6.878 -3.064 1.00 0.00 C ATOM 719 C ALA A 56 -13.339 -6.602 -3.314 1.00 0.00 C ATOM 720 O ALA A 56 -12.577 -7.539 -3.557 1.00 0.00 O ATOM 721 CB ALA A 56 -15.196 -6.523 -1.648 1.00 0.00 C ATOM 0 H ALA A 56 -14.470 -8.929 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.398 -6.257 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.997 -5.466 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.259 -6.721 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.619 -7.125 -0.946 1.00 0.00 H new ATOM 727 N LEU A 57 -12.932 -5.346 -3.315 1.00 0.00 N ATOM 728 CA LEU A 57 -11.535 -5.064 -3.552 1.00 0.00 C ATOM 729 C LEU A 57 -11.099 -3.702 -3.068 1.00 0.00 C ATOM 730 O LEU A 57 -11.799 -2.698 -3.218 1.00 0.00 O ATOM 731 CB LEU A 57 -11.179 -5.215 -5.043 1.00 0.00 C ATOM 732 CG LEU A 57 -11.739 -4.141 -5.992 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.064 -4.237 -7.350 1.00 0.00 C ATOM 734 CD2 LEU A 57 -13.248 -4.275 -6.153 1.00 0.00 C ATOM 0 H LEU A 57 -13.527 -4.533 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.992 -5.804 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.093 -5.221 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.533 -6.189 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.530 -3.166 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.469 -3.472 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.991 -4.086 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.248 -5.222 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.612 -3.502 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.484 -5.257 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.729 -4.163 -5.181 1.00 0.00 H new ATOM 745 N LEU A 58 -9.937 -3.708 -2.450 1.00 0.00 N ATOM 746 CA LEU A 58 -9.165 -2.491 -2.254 1.00 0.00 C ATOM 747 C LEU A 58 -8.298 -2.275 -3.480 1.00 0.00 C ATOM 748 O LEU A 58 -7.356 -3.025 -3.697 1.00 0.00 O ATOM 749 CB LEU A 58 -8.237 -2.622 -1.050 1.00 0.00 C ATOM 750 CG LEU A 58 -8.875 -2.746 0.321 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.346 -4.165 0.584 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.872 -2.311 1.363 1.00 0.00 C ATOM 0 H LEU A 58 -9.500 -4.548 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.854 -1.662 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.606 -3.497 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.580 -1.753 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.755 -2.104 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.798 -4.221 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.082 -4.449 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.496 -4.846 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.317 -2.395 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.989 -2.948 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.584 -1.276 1.181 1.00 0.00 H new ATOM 763 N VAL A 59 -8.583 -1.256 -4.262 1.00 0.00 N ATOM 764 CA VAL A 59 -7.854 -1.039 -5.501 1.00 0.00 C ATOM 765 C VAL A 59 -6.937 0.178 -5.375 1.00 0.00 C ATOM 766 O VAL A 59 -7.370 1.246 -4.946 1.00 0.00 O ATOM 767 CB VAL A 59 -8.833 -0.865 -6.696 1.00 0.00 C ATOM 768 CG1 VAL A 59 -9.869 0.211 -6.406 1.00 0.00 C ATOM 769 CG2 VAL A 59 -8.089 -0.544 -7.985 1.00 0.00 C ATOM 0 H VAL A 59 -9.309 -0.567 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.238 -1.918 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.349 -1.816 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.540 0.310 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.444 -0.067 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.366 1.161 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.805 -0.429 -8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.529 0.383 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.400 -1.356 -8.219 1.00 0.00 H new ATOM 779 N VAL A 60 -5.661 0.017 -5.718 1.00 0.00 N ATOM 780 CA VAL A 60 -4.739 1.134 -5.672 1.00 0.00 C ATOM 781 C VAL A 60 -5.071 2.079 -6.821 1.00 0.00 C ATOM 782 O VAL A 60 -4.897 1.757 -8.011 1.00 0.00 O ATOM 783 CB VAL A 60 -3.238 0.691 -5.661 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.098 -0.719 -5.125 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.560 0.798 -7.001 1.00 0.00 C ATOM 0 H VAL A 60 -5.252 -0.865 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.867 1.661 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.731 1.393 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.046 -1.006 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.484 -0.761 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.662 -1.406 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.523 0.473 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.077 0.165 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.588 1.833 -7.341 1.00 0.00 H new ATOM 795 N LYS A 61 -5.621 3.220 -6.411 1.00 0.00 N ATOM 796 CA LYS A 61 -6.128 4.262 -7.291 1.00 0.00 C ATOM 797 C LYS A 61 -5.012 4.823 -8.147 1.00 0.00 C ATOM 798 O LYS A 61 -5.050 4.742 -9.372 1.00 0.00 O ATOM 799 CB LYS A 61 -6.746 5.355 -6.413 1.00 0.00 C ATOM 800 CG LYS A 61 -7.253 6.577 -7.153 1.00 0.00 C ATOM 801 CD LYS A 61 -8.021 7.498 -6.212 1.00 0.00 C ATOM 802 CE LYS A 61 -7.213 7.848 -4.962 1.00 0.00 C ATOM 803 NZ LYS A 61 -7.997 8.661 -3.985 1.00 0.00 N ATOM 0 H LYS A 61 -5.728 3.449 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.881 3.856 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.574 4.922 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.001 5.676 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.414 7.116 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.899 6.268 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.287 8.414 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.954 7.018 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.879 6.929 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.319 8.399 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.621 8.510 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.921 9.668 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.996 8.372 -4.015 1.00 0.00 H new ATOM 813 N ARG A 62 -4.013 5.379 -7.489 1.00 0.00 N ATOM 814 CA ARG A 62 -2.839 5.861 -8.177 1.00 0.00 C ATOM 815 C ARG A 62 -1.635 5.747 -7.264 1.00 0.00 C ATOM 816 O ARG A 62 -1.573 6.363 -6.198 1.00 0.00 O ATOM 817 CB ARG A 62 -3.017 7.302 -8.655 1.00 0.00 C ATOM 818 CG ARG A 62 -2.218 7.604 -9.913 1.00 0.00 C ATOM 819 CD ARG A 62 -2.391 9.044 -10.368 1.00 0.00 C ATOM 820 NE ARG A 62 -1.669 9.987 -9.515 1.00 0.00 N ATOM 821 CZ ARG A 62 -2.195 11.119 -9.045 1.00 0.00 C ATOM 822 NH1 ARG A 62 -3.472 11.408 -9.273 1.00 0.00 N ATOM 823 NH2 ARG A 62 -1.441 11.956 -8.343 1.00 0.00 N ATOM 0 H ARG A 62 -3.994 5.507 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.683 5.245 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.074 7.489 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.711 7.984 -7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.162 7.407 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.532 6.932 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.038 9.143 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.451 9.297 -10.369 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.705 9.766 -9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.053 10.763 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.871 12.275 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.462 11.733 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.841 12.822 -7.982 1.00 0.00 H new ATOM 834 N GLY A 63 -0.710 4.911 -7.670 1.00 0.00 N ATOM 835 CA GLY A 63 0.529 4.757 -6.968 1.00 0.00 C ATOM 836 C GLY A 63 1.626 4.500 -7.958 1.00 0.00 C ATOM 837 O GLY A 63 1.415 4.692 -9.154 1.00 0.00 O ATOM 0 H GLY A 63 -0.801 4.321 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.747 5.655 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.460 3.931 -6.260 1.00 0.00 H new ATOM 841 N PRO A 64 2.794 4.056 -7.519 1.00 0.00 N ATOM 842 CA PRO A 64 3.890 3.770 -8.425 1.00 0.00 C ATOM 843 C PRO A 64 3.551 2.625 -9.370 1.00 0.00 C ATOM 844 O PRO A 64 3.775 2.715 -10.580 1.00 0.00 O ATOM 845 CB PRO A 64 5.054 3.409 -7.505 1.00 0.00 C ATOM 846 CG PRO A 64 4.649 3.904 -6.168 1.00 0.00 C ATOM 847 CD PRO A 64 3.157 3.837 -6.127 1.00 0.00 C ATOM 0 HA PRO A 64 4.121 4.615 -9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.229 2.333 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.980 3.878 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.087 3.293 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.996 4.925 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.804 2.872 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.734 4.599 -5.473 1.00 0.00 H new ATOM 852 N ASN A 65 3.006 1.547 -8.816 1.00 0.00 N ATOM 853 CA ASN A 65 2.467 0.473 -9.646 1.00 0.00 C ATOM 854 C ASN A 65 1.155 0.946 -10.227 1.00 0.00 C ATOM 855 O ASN A 65 0.940 0.913 -11.439 1.00 0.00 O ATOM 856 CB ASN A 65 2.204 -0.792 -8.820 1.00 0.00 C ATOM 857 CG ASN A 65 2.247 -2.059 -9.654 1.00 0.00 C ATOM 858 OD1 ASN A 65 2.977 -2.143 -10.638 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.459 -3.056 -9.270 1.00 0.00 N ATOM 0 H ASN A 65 2.926 1.393 -7.811 1.00 0.00 H new ATOM 0 HA ASN A 65 3.190 0.232 -10.425 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.945 -0.861 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.228 -0.711 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.446 -3.929 -9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.866 -2.949 -8.447 1.00 0.00 H new ATOM 865 N ALA A 66 0.319 1.445 -9.320 1.00 0.00 N ATOM 866 CA ALA A 66 -1.056 1.878 -9.625 1.00 0.00 C ATOM 867 C ALA A 66 -1.914 0.775 -10.275 1.00 0.00 C ATOM 868 O ALA A 66 -1.405 -0.174 -10.872 1.00 0.00 O ATOM 869 CB ALA A 66 -1.047 3.114 -10.511 1.00 0.00 C ATOM 0 H ALA A 66 0.573 1.564 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.516 2.115 -8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.072 3.417 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.528 3.925 -9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.534 2.888 -11.446 1.00 0.00 H new ATOM 875 N GLY A 67 -3.230 0.891 -10.118 1.00 0.00 N ATOM 876 CA GLY A 67 -4.133 -0.029 -10.781 1.00 0.00 C ATOM 877 C GLY A 67 -4.279 -1.349 -10.051 1.00 0.00 C ATOM 878 O GLY A 67 -4.977 -2.244 -10.524 1.00 0.00 O ATOM 0 H GLY A 67 -3.684 1.603 -9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.113 0.438 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.772 -0.218 -11.792 1.00 0.00 H new ATOM 882 N SER A 68 -3.625 -1.488 -8.900 1.00 0.00 N ATOM 883 CA SER A 68 -3.563 -2.792 -8.238 1.00 0.00 C ATOM 884 C SER A 68 -4.769 -2.967 -7.313 1.00 0.00 C ATOM 885 O SER A 68 -5.593 -2.073 -7.232 1.00 0.00 O ATOM 886 CB SER A 68 -2.249 -2.920 -7.476 1.00 0.00 C ATOM 887 OG SER A 68 -1.167 -2.450 -8.266 1.00 0.00 O ATOM 0 H SER A 68 -3.140 -0.734 -8.414 1.00 0.00 H new ATOM 0 HA SER A 68 -3.599 -3.585 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.303 -2.351 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.081 -3.961 -7.202 1.00 0.00 H new ATOM 0 HG SER A 68 -0.631 -1.817 -7.744 1.00 0.00 H new ATOM 892 N ARG A 69 -4.887 -4.098 -6.616 1.00 0.00 N ATOM 893 CA ARG A 69 -6.102 -4.364 -5.835 1.00 0.00 C ATOM 894 C ARG A 69 -5.952 -5.594 -4.938 1.00 0.00 C ATOM 895 O ARG A 69 -5.222 -6.521 -5.284 1.00 0.00 O ATOM 896 CB ARG A 69 -7.305 -4.573 -6.774 1.00 0.00 C ATOM 897 CG ARG A 69 -7.320 -5.918 -7.505 1.00 0.00 C ATOM 898 CD ARG A 69 -6.142 -6.083 -8.451 1.00 0.00 C ATOM 899 NE ARG A 69 -5.440 -7.346 -8.231 1.00 0.00 N ATOM 900 CZ ARG A 69 -4.910 -8.086 -9.207 1.00 0.00 C ATOM 901 NH1 ARG A 69 -4.967 -7.673 -10.467 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.307 -9.234 -8.921 1.00 0.00 N ATOM 0 H ARG A 69 -4.178 -4.830 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.267 -3.494 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.222 -4.481 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.314 -3.773 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.309 -6.725 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.249 -6.011 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.495 -6.038 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.448 -5.253 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.350 -7.683 -7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.417 -6.786 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.560 -8.242 -11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.248 -9.552 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.903 -9.798 -9.669 1.00 0.00 H new ATOM 913 N PHE A 70 -6.676 -5.623 -3.810 1.00 0.00 N ATOM 914 CA PHE A 70 -6.725 -6.811 -2.982 1.00 0.00 C ATOM 915 C PHE A 70 -7.948 -7.590 -3.422 1.00 0.00 C ATOM 916 O PHE A 70 -9.052 -7.031 -3.439 1.00 0.00 O ATOM 917 CB PHE A 70 -6.898 -6.517 -1.468 1.00 0.00 C ATOM 918 CG PHE A 70 -5.963 -5.529 -0.823 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.208 -4.646 -1.560 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.871 -5.488 0.560 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.371 -3.744 -0.943 1.00 0.00 C ATOM 922 CE2 PHE A 70 -5.038 -4.582 1.188 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.285 -3.709 0.435 1.00 0.00 C ATOM 0 H PHE A 70 -7.227 -4.839 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.780 -7.340 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.917 -6.162 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.805 -7.462 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.273 -4.661 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.458 -6.173 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.781 -3.063 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.978 -4.559 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.630 -3.000 0.920 1.00 0.00 H new ATOM 932 N LEU A 71 -7.757 -8.858 -3.776 1.00 0.00 N ATOM 933 CA LEU A 71 -8.829 -9.688 -4.276 1.00 0.00 C ATOM 934 C LEU A 71 -9.625 -10.203 -3.096 1.00 0.00 C ATOM 935 O LEU A 71 -9.273 -11.193 -2.470 1.00 0.00 O ATOM 936 CB LEU A 71 -8.247 -10.836 -5.119 1.00 0.00 C ATOM 937 CG LEU A 71 -9.239 -11.883 -5.646 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.350 -13.054 -4.673 1.00 0.00 C ATOM 939 CD2 LEU A 71 -10.598 -11.250 -5.915 1.00 0.00 C ATOM 0 H LEU A 71 -6.855 -9.330 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.494 -9.115 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.728 -10.401 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.497 -11.351 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.864 -12.272 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.057 -13.786 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.373 -13.522 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.699 -12.692 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.286 -12.009 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.991 -10.826 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.491 -10.461 -6.659 1.00 0.00 H new ATOM 950 N LEU A 72 -10.686 -9.519 -2.763 1.00 0.00 N ATOM 951 CA LEU A 72 -11.458 -9.921 -1.618 1.00 0.00 C ATOM 952 C LEU A 72 -12.561 -10.875 -2.052 1.00 0.00 C ATOM 953 O LEU A 72 -13.737 -10.673 -1.750 1.00 0.00 O ATOM 954 CB LEU A 72 -12.056 -8.710 -0.904 1.00 0.00 C ATOM 955 CG LEU A 72 -11.165 -7.468 -0.843 1.00 0.00 C ATOM 956 CD1 LEU A 72 -11.770 -6.438 0.077 1.00 0.00 C ATOM 957 CD2 LEU A 72 -9.760 -7.804 -0.395 1.00 0.00 C ATOM 0 H LEU A 72 -11.031 -8.696 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.796 -10.429 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.988 -8.442 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.311 -9.002 0.115 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.101 -7.060 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.127 -5.559 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.755 -6.153 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.867 -6.857 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.160 -6.894 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.792 -8.250 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.314 -8.510 -1.095 1.00 0.00 H new ATOM 968 N ASP A 73 -12.165 -11.893 -2.799 1.00 0.00 N ATOM 969 CA ASP A 73 -13.091 -12.912 -3.263 1.00 0.00 C ATOM 970 C ASP A 73 -12.903 -14.187 -2.459 1.00 0.00 C ATOM 971 O ASP A 73 -13.808 -15.015 -2.364 1.00 0.00 O ATOM 972 CB ASP A 73 -12.893 -13.176 -4.759 1.00 0.00 C ATOM 973 CG ASP A 73 -13.759 -14.304 -5.282 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.956 -14.064 -5.527 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.241 -15.425 -5.474 1.00 0.00 O ATOM 0 H ASP A 73 -11.200 -12.035 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.111 -12.556 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.117 -12.266 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.846 -13.414 -4.945 1.00 0.00 H new ATOM 979 N GLN A 74 -11.731 -14.332 -1.855 1.00 0.00 N ATOM 980 CA GLN A 74 -11.493 -15.471 -0.978 1.00 0.00 C ATOM 981 C GLN A 74 -11.575 -15.011 0.471 1.00 0.00 C ATOM 982 O GLN A 74 -12.065 -13.915 0.729 1.00 0.00 O ATOM 983 CB GLN A 74 -10.157 -16.166 -1.270 1.00 0.00 C ATOM 984 CG GLN A 74 -8.928 -15.306 -1.095 1.00 0.00 C ATOM 985 CD GLN A 74 -7.710 -16.152 -0.797 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.808 -17.197 -0.154 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.568 -15.731 -1.290 1.00 0.00 N ATOM 0 H GLN A 74 -10.945 -13.690 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.266 -16.216 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.068 -17.034 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.177 -16.538 -2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.757 -14.722 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.089 -14.596 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.531 -14.859 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.718 -16.276 -1.146 1.00 0.00 H new ATOM 994 N ALA A 75 -11.149 -15.834 1.416 1.00 0.00 N ATOM 995 CA ALA A 75 -11.238 -15.451 2.819 1.00 0.00 C ATOM 996 C ALA A 75 -10.169 -14.429 3.195 1.00 0.00 C ATOM 997 O ALA A 75 -10.437 -13.501 3.961 1.00 0.00 O ATOM 998 CB ALA A 75 -11.152 -16.662 3.731 1.00 0.00 C ATOM 0 H ALA A 75 -10.745 -16.755 1.244 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.214 -14.985 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.222 -16.341 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.971 -17.345 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.201 -17.171 3.572 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.960 -14.588 2.663 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.877 -13.683 3.016 1.00 0.00 C ATOM 1006 C ILE A 76 -6.783 -13.637 1.951 1.00 0.00 C ATOM 1007 O ILE A 76 -6.300 -14.670 1.491 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.314 -14.028 4.426 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.036 -13.232 4.765 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -7.074 -15.523 4.567 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.741 -13.869 4.290 1.00 0.00 C ATOM 0 H ILE A 76 -8.711 -15.321 1.999 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.290 -12.675 3.058 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.074 -13.729 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.117 -12.238 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.984 -13.100 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.681 -15.736 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.014 -16.057 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.355 -15.849 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.899 -13.237 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.629 -14.851 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.765 -13.976 3.206 1.00 0.00 H new ATOM 1022 N THR A 77 -6.414 -12.417 1.562 1.00 0.00 N ATOM 1023 CA THR A 77 -5.385 -12.193 0.556 1.00 0.00 C ATOM 1024 C THR A 77 -4.209 -11.404 1.129 1.00 0.00 C ATOM 1025 O THR A 77 -4.402 -10.382 1.784 1.00 0.00 O ATOM 1026 CB THR A 77 -5.934 -11.415 -0.647 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.652 -10.255 -0.211 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.835 -12.289 -1.480 1.00 0.00 C ATOM 0 H THR A 77 -6.821 -11.560 1.936 1.00 0.00 H new ATOM 0 HA THR A 77 -5.051 -13.180 0.236 1.00 0.00 H new ATOM 0 HB THR A 77 -5.088 -11.099 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.994 -9.770 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.214 -11.718 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.273 -13.149 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.672 -12.633 -0.872 1.00 0.00 H new ATOM 1036 N SER A 78 -2.998 -11.873 0.884 1.00 0.00 N ATOM 1037 CA SER A 78 -1.804 -11.127 1.254 1.00 0.00 C ATOM 1038 C SER A 78 -1.617 -9.947 0.297 1.00 0.00 C ATOM 1039 O SER A 78 -1.582 -10.135 -0.925 1.00 0.00 O ATOM 1040 CB SER A 78 -0.588 -12.049 1.214 1.00 0.00 C ATOM 1041 OG SER A 78 -0.665 -13.040 2.220 1.00 0.00 O ATOM 0 H SER A 78 -2.814 -12.768 0.430 1.00 0.00 H new ATOM 0 HA SER A 78 -1.914 -10.740 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.521 -12.525 0.236 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.321 -11.462 1.346 1.00 0.00 H new ATOM 0 HG SER A 78 -0.206 -13.851 1.916 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.486 -8.738 0.857 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.386 -7.511 0.060 1.00 0.00 C ATOM 1048 C ALA A 79 -0.071 -6.780 0.274 1.00 0.00 C ATOM 1049 O ALA A 79 0.198 -6.299 1.372 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.526 -6.581 0.421 1.00 0.00 C ATOM 0 H ALA A 79 -1.447 -8.584 1.865 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.437 -7.805 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.453 -5.669 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.476 -7.073 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.470 -6.332 1.481 1.00 0.00 H new ATOM 1056 N GLY A 80 0.736 -6.670 -0.773 1.00 0.00 N ATOM 1057 CA GLY A 80 1.986 -5.956 -0.668 1.00 0.00 C ATOM 1058 C GLY A 80 2.954 -6.390 -1.740 1.00 0.00 C ATOM 1059 O GLY A 80 2.568 -6.625 -2.882 1.00 0.00 O ATOM 0 H GLY A 80 0.544 -7.065 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.804 -4.885 -0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.425 -6.129 0.314 1.00 0.00 H new ATOM 1063 N ARG A 81 4.202 -6.521 -1.364 1.00 0.00 N ATOM 1064 CA ARG A 81 5.212 -7.022 -2.260 1.00 0.00 C ATOM 1065 C ARG A 81 5.100 -8.530 -2.346 1.00 0.00 C ATOM 1066 O ARG A 81 5.480 -9.247 -1.428 1.00 0.00 O ATOM 1067 CB ARG A 81 6.584 -6.578 -1.766 1.00 0.00 C ATOM 1068 CG ARG A 81 7.745 -7.431 -2.264 1.00 0.00 C ATOM 1069 CD ARG A 81 8.348 -8.299 -1.163 1.00 0.00 C ATOM 1070 NE ARG A 81 9.456 -7.633 -0.481 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.627 -8.231 -0.226 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.824 -9.490 -0.599 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.603 -7.573 0.384 1.00 0.00 N ATOM 0 H ARG A 81 4.544 -6.284 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 81 5.071 -6.620 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.750 -5.546 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.584 -6.589 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.400 -8.069 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.518 -6.782 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.575 -8.551 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.699 -9.237 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 81 9.331 -6.665 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.084 -10.001 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.716 -9.946 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.466 -6.602 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.491 -8.038 0.573 1.00 0.00 H new ATOM 1084 N HIS A 82 4.552 -9.015 -3.438 1.00 0.00 N ATOM 1085 CA HIS A 82 4.247 -10.421 -3.529 1.00 0.00 C ATOM 1086 C HIS A 82 4.630 -11.007 -4.875 1.00 0.00 C ATOM 1087 O HIS A 82 4.128 -10.574 -5.912 1.00 0.00 O ATOM 1088 CB HIS A 82 2.759 -10.653 -3.321 1.00 0.00 C ATOM 1089 CG HIS A 82 2.325 -10.447 -1.927 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.327 -9.704 -1.432 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.914 -11.068 -0.856 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.311 -9.894 -0.084 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.272 -10.729 0.236 1.00 0.00 N flip ATOM 0 H HIS A 82 4.312 -8.465 -4.263 1.00 0.00 H new ATOM 0 HA HIS A 82 4.830 -10.915 -2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.199 -9.981 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.511 -11.670 -3.625 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.696 -9.106 -1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.767 -11.728 -0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.621 -9.434 0.608 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.652 -12.493 -4.150 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.676 -11.881 -4.993 1.00 0.00 C ATOM 1135 C ASP A 86 -3.392 -10.409 -5.231 1.00 0.00 C ATOM 1136 O ASP A 86 -3.639 -9.882 -6.317 1.00 0.00 O ATOM 1137 CB ASP A 86 -5.076 -12.054 -4.397 1.00 0.00 C ATOM 1138 CG ASP A 86 -5.521 -13.500 -4.428 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -5.986 -13.961 -5.491 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -5.384 -14.191 -3.397 1.00 0.00 O ATOM 0 HA ASP A 86 -3.645 -12.399 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.081 -11.693 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.787 -11.442 -4.953 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.878 -9.746 -4.212 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.567 -8.324 -4.302 1.00 0.00 C ATOM 1146 C ILE A 87 -1.056 -8.064 -4.201 1.00 0.00 C ATOM 1147 O ILE A 87 -0.464 -8.078 -3.117 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.359 -7.530 -3.237 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.681 -6.208 -2.871 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.598 -8.368 -2.007 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.891 -5.119 -3.887 1.00 0.00 C ATOM 0 H ILE A 87 -2.665 -10.167 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.878 -7.972 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.323 -7.281 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.060 -5.871 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.611 -6.380 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.157 -7.787 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.169 -9.256 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.641 -8.668 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.382 -4.213 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.486 -5.435 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.957 -4.919 -3.990 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.442 -7.859 -5.360 1.00 0.00 N ATOM 1163 CA PHE A 88 0.961 -7.470 -5.462 1.00 0.00 C ATOM 1164 C PHE A 88 1.077 -6.010 -5.872 1.00 0.00 C ATOM 1165 O PHE A 88 0.385 -5.547 -6.777 1.00 0.00 O ATOM 1166 CB PHE A 88 1.717 -8.346 -6.470 1.00 0.00 C ATOM 1167 CG PHE A 88 0.850 -9.157 -7.398 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.082 -8.548 -8.231 1.00 0.00 C ATOM 1169 CD2 PHE A 88 0.971 -10.539 -7.432 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.871 -9.302 -9.077 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.182 -11.295 -8.279 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.740 -10.677 -9.101 1.00 0.00 C ATOM 0 H PHE A 88 -0.906 -7.959 -6.263 1.00 0.00 H new ATOM 0 HA PHE A 88 1.411 -7.611 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.363 -7.705 -7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.366 -9.026 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.190 -7.474 -8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.689 -11.029 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.590 -8.817 -9.720 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.287 -12.370 -8.298 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.357 -11.268 -9.761 1.00 0.00 H new ATOM 1181 N LEU A 89 1.946 -5.289 -5.188 1.00 0.00 N ATOM 1182 CA LEU A 89 2.149 -3.873 -5.448 1.00 0.00 C ATOM 1183 C LEU A 89 3.551 -3.615 -5.962 1.00 0.00 C ATOM 1184 O LEU A 89 4.402 -3.127 -5.214 1.00 0.00 O ATOM 1185 CB LEU A 89 1.926 -3.057 -4.177 1.00 0.00 C ATOM 1186 CG LEU A 89 0.501 -3.044 -3.641 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.483 -2.776 -4.756 1.00 0.00 C ATOM 1188 CD2 LEU A 89 0.173 -4.331 -2.911 1.00 0.00 C ATOM 0 H LEU A 89 2.529 -5.665 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 89 1.427 -3.569 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.584 -3.444 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.231 -2.029 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 89 0.420 -2.234 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.496 -2.770 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.267 -1.808 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.397 -3.556 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.851 -4.289 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.278 -5.174 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.857 -4.458 -2.072 1.00 0.00 H new ATOM 1199 N ASP A 90 3.803 -3.998 -7.218 1.00 0.00 N ATOM 1200 CA ASP A 90 5.108 -3.788 -7.860 1.00 0.00 C ATOM 1201 C ASP A 90 6.170 -4.673 -7.200 1.00 0.00 C ATOM 1202 O ASP A 90 7.304 -4.769 -7.662 1.00 0.00 O ATOM 1203 CB ASP A 90 5.497 -2.298 -7.794 1.00 0.00 C ATOM 1204 CG ASP A 90 6.817 -1.985 -8.463 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.976 -2.315 -9.657 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.697 -1.397 -7.798 1.00 0.00 O ATOM 0 H ASP A 90 3.116 -4.458 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 90 5.042 -4.072 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.712 -1.705 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.547 -1.990 -6.750 1.00 0.00 H new ATOM 1210 N ASP A 91 5.724 -5.354 -6.134 1.00 0.00 N ATOM 1211 CA ASP A 91 6.531 -6.235 -5.284 1.00 0.00 C ATOM 1212 C ASP A 91 7.942 -5.711 -5.048 1.00 0.00 C ATOM 1213 O ASP A 91 8.906 -6.472 -5.034 1.00 0.00 O ATOM 1214 CB ASP A 91 6.550 -7.685 -5.810 1.00 0.00 C ATOM 1215 CG ASP A 91 7.130 -7.844 -7.206 1.00 0.00 C ATOM 1216 OD1 ASP A 91 6.385 -7.642 -8.187 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.318 -8.209 -7.330 1.00 0.00 O ATOM 0 H ASP A 91 4.752 -5.302 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 91 6.038 -6.241 -4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.126 -8.301 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.531 -8.072 -5.808 1.00 0.00 H new ATOM 1221 N VAL A 92 8.050 -4.412 -4.802 1.00 0.00 N ATOM 1222 CA VAL A 92 9.350 -3.788 -4.594 1.00 0.00 C ATOM 1223 C VAL A 92 9.304 -2.689 -3.519 1.00 0.00 C ATOM 1224 O VAL A 92 10.345 -2.253 -3.042 1.00 0.00 O ATOM 1225 CB VAL A 92 9.882 -3.214 -5.938 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.999 -2.194 -5.739 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.368 -4.332 -6.851 1.00 0.00 C ATOM 0 H VAL A 92 7.258 -3.773 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 92 10.032 -4.558 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 92 9.043 -2.700 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.333 -1.826 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.628 -1.360 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.835 -2.666 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.735 -3.906 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.173 -4.878 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.544 -5.013 -7.063 1.00 0.00 H new ATOM 1237 N THR A 93 8.117 -2.270 -3.089 1.00 0.00 N ATOM 1238 CA THR A 93 8.033 -1.084 -2.235 1.00 0.00 C ATOM 1239 C THR A 93 7.566 -1.382 -0.803 1.00 0.00 C ATOM 1240 O THR A 93 7.659 -0.524 0.070 1.00 0.00 O ATOM 1241 CB THR A 93 7.081 -0.026 -2.829 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.768 -0.223 -2.302 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.006 -0.118 -4.357 1.00 0.00 C ATOM 0 H THR A 93 7.226 -2.715 -3.307 1.00 0.00 H new ATOM 0 HA THR A 93 9.055 -0.708 -2.193 1.00 0.00 H new ATOM 0 HB THR A 93 7.471 0.956 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.181 -0.570 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.325 0.645 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.998 0.040 -4.780 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.642 -1.104 -4.645 1.00 0.00 H new ATOM 1251 N VAL A 94 7.061 -2.582 -0.554 1.00 0.00 N ATOM 1252 CA VAL A 94 6.416 -2.877 0.725 1.00 0.00 C ATOM 1253 C VAL A 94 6.870 -4.236 1.268 1.00 0.00 C ATOM 1254 O VAL A 94 7.236 -5.113 0.498 1.00 0.00 O ATOM 1255 CB VAL A 94 4.870 -2.786 0.568 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.417 -3.361 -0.760 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.130 -3.464 1.708 1.00 0.00 C ATOM 0 H VAL A 94 7.083 -3.362 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 94 6.720 -2.133 1.462 1.00 0.00 H new ATOM 0 HB VAL A 94 4.621 -1.725 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.333 -3.283 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.882 -2.805 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.711 -4.409 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.055 -3.372 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.403 -4.519 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.400 -2.989 2.651 1.00 0.00 H new ATOM 1267 N SER A 95 6.876 -4.384 2.600 1.00 0.00 N ATOM 1268 CA SER A 95 7.446 -5.556 3.277 1.00 0.00 C ATOM 1269 C SER A 95 6.629 -6.827 3.041 1.00 0.00 C ATOM 1270 O SER A 95 5.980 -7.326 3.962 1.00 0.00 O ATOM 1271 CB SER A 95 7.528 -5.265 4.775 1.00 0.00 C ATOM 1272 OG SER A 95 7.968 -3.934 5.002 1.00 0.00 O ATOM 0 H SER A 95 6.485 -3.692 3.239 1.00 0.00 H new ATOM 0 HA SER A 95 8.437 -5.736 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.551 -5.414 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.214 -5.967 5.250 1.00 0.00 H new ATOM 0 HG SER A 95 8.013 -3.764 5.966 1.00 0.00 H new ATOM 1277 N ARG A 96 6.698 -7.359 1.815 1.00 0.00 N ATOM 1278 CA ARG A 96 5.895 -8.511 1.387 1.00 0.00 C ATOM 1279 C ARG A 96 4.400 -8.199 1.432 1.00 0.00 C ATOM 1280 O ARG A 96 3.704 -8.345 0.447 1.00 0.00 O ATOM 1281 CB ARG A 96 6.228 -9.769 2.204 1.00 0.00 C ATOM 1282 CG ARG A 96 5.447 -11.011 1.772 1.00 0.00 C ATOM 1283 CD ARG A 96 4.413 -11.420 2.812 1.00 0.00 C ATOM 1284 NE ARG A 96 4.181 -10.342 3.741 1.00 0.00 N ATOM 1285 CZ ARG A 96 4.202 -10.474 5.073 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.404 -11.665 5.619 1.00 0.00 N ATOM 1287 NH2 ARG A 96 4.018 -9.416 5.854 1.00 0.00 N ATOM 0 H ARG A 96 7.316 -7.000 1.087 1.00 0.00 H new ATOM 0 HA ARG A 96 6.156 -8.718 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.295 -9.974 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.025 -9.572 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.949 -10.815 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.140 -11.836 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.479 -11.691 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.758 -12.304 3.349 1.00 0.00 H new ATOM 0 HE ARG A 96 3.988 -9.417 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.544 -12.482 5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.420 -11.765 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.860 -8.498 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.035 -9.522 6.868 1.00 0.00 H new ATOM 1298 N ARG A 97 3.908 -7.763 2.562 1.00 0.00 N ATOM 1299 CA ARG A 97 2.495 -7.480 2.710 1.00 0.00 C ATOM 1300 C ARG A 97 2.260 -6.474 3.818 1.00 0.00 C ATOM 1301 O ARG A 97 2.682 -6.678 4.950 1.00 0.00 O ATOM 1302 CB ARG A 97 1.752 -8.797 2.990 1.00 0.00 C ATOM 1303 CG ARG A 97 0.479 -8.669 3.804 1.00 0.00 C ATOM 1304 CD ARG A 97 0.435 -9.703 4.925 1.00 0.00 C ATOM 1305 NE ARG A 97 0.503 -11.080 4.431 1.00 0.00 N ATOM 1306 CZ ARG A 97 0.784 -12.135 5.200 1.00 0.00 C ATOM 1307 NH1 ARG A 97 1.136 -11.973 6.471 1.00 0.00 N ATOM 1308 NH2 ARG A 97 0.735 -13.355 4.685 1.00 0.00 N ATOM 0 H ARG A 97 4.464 -7.594 3.400 1.00 0.00 H new ATOM 0 HA ARG A 97 2.112 -7.040 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.507 -9.265 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.430 -9.472 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.414 -7.667 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.386 -8.797 3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.265 -9.526 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.483 -9.572 5.498 1.00 0.00 H new ATOM 0 HE ARG A 97 0.325 -11.243 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.194 -11.035 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.348 -12.786 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.483 -13.485 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.949 -14.164 5.268 1.00 0.00 H new ATOM 1319 N HIS A 98 1.579 -5.392 3.462 1.00 0.00 N ATOM 1320 CA HIS A 98 1.211 -4.361 4.418 1.00 0.00 C ATOM 1321 C HIS A 98 0.047 -4.846 5.238 1.00 0.00 C ATOM 1322 O HIS A 98 -0.025 -4.628 6.441 1.00 0.00 O ATOM 1323 CB HIS A 98 0.847 -3.051 3.681 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.608 -2.643 3.771 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.073 -1.762 4.717 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.702 -3.001 3.030 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.372 -1.592 4.566 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.778 -2.329 3.552 1.00 0.00 N ATOM 0 H HIS A 98 1.269 -5.207 2.508 1.00 0.00 H new ATOM 0 HA HIS A 98 2.055 -4.155 5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.459 -2.244 4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.113 -3.159 2.629 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.500 -1.308 5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.715 -3.683 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.999 -0.955 5.172 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.863 -5.498 4.552 1.00 0.00 N ATOM 1337 CA ALA A 99 -2.053 -5.998 5.159 1.00 0.00 C ATOM 1338 C ALA A 99 -2.500 -7.218 4.428 1.00 0.00 C ATOM 1339 O ALA A 99 -2.246 -7.359 3.239 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.162 -4.962 5.147 1.00 0.00 C ATOM 0 H ALA A 99 -0.789 -5.692 3.553 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.832 -6.240 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.053 -5.378 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.840 -4.078 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.390 -4.685 4.118 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.123 -8.109 5.130 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.808 -9.188 4.473 1.00 0.00 C ATOM 1348 C GLU A 100 -5.284 -9.011 4.711 1.00 0.00 C ATOM 1349 O GLU A 100 -5.716 -8.719 5.830 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.286 -10.560 4.928 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.165 -10.694 6.429 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.991 -12.122 6.881 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -1.966 -12.736 6.543 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -3.886 -12.629 7.585 1.00 0.00 O ATOM 0 H GLU A 100 -3.175 -8.117 6.149 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.615 -9.159 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.955 -11.336 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.310 -10.736 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.316 -10.104 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.055 -10.276 6.899 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.031 -9.090 3.627 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.453 -8.913 3.662 1.00 0.00 C ATOM 1361 C PHE A 101 -8.031 -10.010 4.497 1.00 0.00 C ATOM 1362 O PHE A 101 -8.134 -11.146 4.064 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.022 -8.920 2.232 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.331 -9.653 2.103 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.460 -9.232 2.782 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.416 -10.787 1.313 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.644 -9.928 2.675 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.594 -11.485 1.205 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.712 -11.054 1.885 1.00 0.00 C ATOM 0 H PHE A 101 -5.658 -9.280 2.697 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.716 -7.951 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.158 -7.891 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.293 -9.377 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.413 -8.349 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.544 -11.127 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.519 -9.591 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.644 -12.370 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.641 -11.599 1.799 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.356 -9.701 5.717 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.878 -10.716 6.558 1.00 0.00 C ATOM 1380 C ARG A 102 -10.390 -10.591 6.628 1.00 0.00 C ATOM 1381 O ARG A 102 -10.907 -9.585 7.122 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.256 -10.623 7.936 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.367 -11.903 8.730 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.455 -11.850 9.930 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.091 -11.488 9.551 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.094 -11.369 10.431 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -5.334 -11.504 11.734 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -3.862 -11.120 10.014 1.00 0.00 N ATOM 0 H ARG A 102 -8.269 -8.776 6.137 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.631 -11.694 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.204 -10.357 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.737 -9.817 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.397 -12.051 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.104 -12.754 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.839 -11.125 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.450 -12.820 10.428 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.891 -11.318 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.280 -11.699 12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.571 -11.413 12.405 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.672 -11.018 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.103 -11.030 10.690 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.103 -11.576 6.103 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.550 -11.525 6.126 1.00 0.00 C ATOM 1401 C LEU A 103 -13.072 -11.842 7.521 1.00 0.00 C ATOM 1402 O LEU A 103 -12.991 -12.979 7.988 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.174 -12.469 5.092 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.661 -12.196 4.850 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.882 -10.746 4.570 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.233 -13.003 3.714 1.00 0.00 C ATOM 0 H LEU A 103 -10.707 -12.407 5.663 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.845 -10.510 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.635 -12.373 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.050 -13.499 5.427 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.177 -12.495 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.943 -10.566 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.546 -10.155 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.318 -10.457 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.290 -12.764 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.700 -12.764 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.124 -14.066 3.931 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.591 -10.820 8.183 1.00 0.00 N ATOM 1418 CA GLU A 104 -14.123 -10.959 9.527 1.00 0.00 C ATOM 1419 C GLU A 104 -15.625 -10.759 9.499 1.00 0.00 C ATOM 1420 O GLU A 104 -16.100 -9.729 9.025 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.476 -9.940 10.464 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.977 -10.118 10.614 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.611 -11.333 11.442 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -12.077 -11.437 12.596 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -10.834 -12.178 10.957 1.00 0.00 O ATOM 0 H GLU A 104 -13.655 -9.875 7.805 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.898 -11.959 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.679 -8.936 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.942 -10.015 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.526 -10.208 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.554 -9.227 11.078 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.354 -11.755 9.999 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.823 -11.769 9.988 1.00 0.00 C ATOM 1432 C ASN A 105 -18.386 -11.278 8.653 1.00 0.00 C ATOM 1433 O ASN A 105 -19.322 -10.480 8.610 1.00 0.00 O ATOM 1434 CB ASN A 105 -18.427 -10.999 11.187 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.990 -9.546 11.305 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -18.612 -8.647 10.743 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -16.932 -9.304 12.069 1.00 0.00 N ATOM 0 H ASN A 105 -15.942 -12.584 10.428 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.127 -12.810 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.514 -11.031 11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.158 -11.519 12.106 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.610 -8.346 12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.441 -10.076 12.520 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.777 -11.769 7.567 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.244 -11.528 6.191 1.00 0.00 C ATOM 1445 C ASN A 106 -17.908 -10.117 5.707 1.00 0.00 C ATOM 1446 O ASN A 106 -18.144 -9.771 4.551 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.759 -11.807 6.091 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.352 -11.539 4.716 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.358 -12.412 3.851 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.870 -10.335 4.513 1.00 0.00 N ATOM 0 H ASN A 106 -16.940 -12.349 7.616 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.715 -12.217 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -19.944 -12.848 6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.280 -11.192 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -21.293 -10.107 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.846 -9.637 5.257 1.00 0.00 H new ATOM 1456 N GLU A 107 -17.266 -9.331 6.549 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.862 -8.008 6.145 1.00 0.00 C ATOM 1458 C GLU A 107 -15.370 -7.998 5.879 1.00 0.00 C ATOM 1459 O GLU A 107 -14.589 -8.538 6.663 1.00 0.00 O ATOM 1460 CB GLU A 107 -17.213 -6.978 7.217 1.00 0.00 C ATOM 1461 CG GLU A 107 -18.638 -7.079 7.747 1.00 0.00 C ATOM 1462 CD GLU A 107 -19.701 -6.843 6.690 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -20.098 -5.675 6.494 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -20.174 -7.829 6.079 1.00 0.00 O ATOM 0 H GLU A 107 -17.017 -9.585 7.505 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.398 -7.740 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.520 -7.089 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -17.061 -5.979 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.785 -8.067 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.770 -6.354 8.550 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.978 -7.417 4.761 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.596 -7.483 4.319 1.00 0.00 C ATOM 1471 C PHE A 108 -12.793 -6.367 4.970 1.00 0.00 C ATOM 1472 O PHE A 108 -13.223 -5.221 4.979 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.518 -7.382 2.791 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.724 -7.966 2.079 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.789 -9.321 1.752 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.800 -7.155 1.748 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.898 -9.839 1.109 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.909 -7.674 1.105 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.958 -9.017 0.787 1.00 0.00 C ATOM 0 H PHE A 108 -15.596 -6.894 4.141 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.173 -8.442 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.413 -6.334 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.620 -7.896 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.965 -9.972 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.771 -6.104 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.934 -10.889 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.737 -7.029 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.825 -9.423 0.287 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.638 -6.706 5.524 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.824 -5.736 6.259 1.00 0.00 C ATOM 1490 C ASN A 109 -9.370 -5.853 5.830 1.00 0.00 C ATOM 1491 O ASN A 109 -9.002 -6.784 5.115 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.872 -6.024 7.768 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.276 -6.125 8.312 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.846 -5.155 8.790 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.839 -7.314 8.251 1.00 0.00 N ATOM 0 H ASN A 109 -11.239 -7.644 5.481 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.220 -4.743 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.344 -6.956 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.340 -5.234 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.784 -7.450 8.610 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.330 -8.099 7.844 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.544 -4.920 6.276 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.102 -5.062 6.152 1.00 0.00 C ATOM 1503 C VAL A 110 -6.513 -5.284 7.525 1.00 0.00 C ATOM 1504 O VAL A 110 -7.135 -4.943 8.516 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.428 -3.823 5.522 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.254 -3.310 4.379 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.192 -2.717 6.542 1.00 0.00 C ATOM 0 H VAL A 110 -8.847 -4.057 6.727 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.916 -5.909 5.492 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.452 -4.135 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.769 -2.437 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.350 -4.088 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.244 -3.032 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.716 -1.867 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.146 -2.404 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.545 -3.087 7.337 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.347 -5.888 7.591 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.610 -5.964 8.831 1.00 0.00 C ATOM 1519 C VAL A 111 -3.197 -5.428 8.642 1.00 0.00 C ATOM 1520 O VAL A 111 -2.427 -5.969 7.852 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.543 -7.404 9.352 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -5.934 -7.922 9.693 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -3.856 -8.306 8.350 1.00 0.00 C ATOM 0 H VAL A 111 -4.888 -6.335 6.797 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.137 -5.353 9.565 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.951 -7.408 10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.861 -8.946 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.379 -7.291 10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.559 -7.901 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.820 -9.323 8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.411 -8.297 7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.841 -7.948 8.174 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.855 -4.362 9.345 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.517 -3.793 9.215 1.00 0.00 C ATOM 1535 C ASP A 112 -0.509 -4.690 9.919 1.00 0.00 C ATOM 1536 O ASP A 112 -0.589 -4.891 11.134 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.427 -2.384 9.796 1.00 0.00 C ATOM 1538 CG ASP A 112 -0.003 -1.848 9.751 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.648 -1.966 8.687 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.468 -1.301 10.769 1.00 0.00 O ATOM 0 H ASP A 112 -3.469 -3.878 10.000 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.294 -3.729 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.085 -1.717 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.781 -2.392 10.827 1.00 0.00 H new ATOM 1544 N VAL A 113 0.418 -5.247 9.159 1.00 0.00 N ATOM 1545 CA VAL A 113 1.398 -6.166 9.717 1.00 0.00 C ATOM 1546 C VAL A 113 2.823 -5.693 9.443 1.00 0.00 C ATOM 1547 O VAL A 113 3.760 -6.072 10.149 1.00 0.00 O ATOM 1548 CB VAL A 113 1.216 -7.598 9.165 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.112 -8.188 9.616 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.315 -7.611 7.648 1.00 0.00 C ATOM 0 H VAL A 113 0.514 -5.081 8.157 1.00 0.00 H new ATOM 0 HA VAL A 113 1.232 -6.184 10.794 1.00 0.00 H new ATOM 0 HB VAL A 113 2.020 -8.216 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.217 -9.196 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.142 -8.226 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.929 -7.565 9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.184 -8.630 7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.539 -6.972 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.294 -7.240 7.344 1.00 0.00 H new ATOM 1560 N GLY A 114 2.981 -4.859 8.423 1.00 0.00 N ATOM 1561 CA GLY A 114 4.296 -4.355 8.087 1.00 0.00 C ATOM 1562 C GLY A 114 4.394 -3.857 6.656 1.00 0.00 C ATOM 1563 O GLY A 114 4.497 -4.643 5.715 1.00 0.00 O ATOM 0 H GLY A 114 2.225 -4.525 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.552 -3.542 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.032 -5.144 8.242 1.00 0.00 H new ATOM 1567 N SER A 115 4.359 -2.547 6.493 1.00 0.00 N ATOM 1568 CA SER A 115 4.523 -1.929 5.187 1.00 0.00 C ATOM 1569 C SER A 115 5.795 -1.087 5.170 1.00 0.00 C ATOM 1570 O SER A 115 6.036 -0.342 6.117 1.00 0.00 O ATOM 1571 CB SER A 115 3.299 -1.072 4.872 1.00 0.00 C ATOM 1572 OG SER A 115 3.457 -0.338 3.674 1.00 0.00 O ATOM 0 H SER A 115 4.217 -1.884 7.255 1.00 0.00 H new ATOM 0 HA SER A 115 4.613 -2.701 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.420 -1.712 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.117 -0.383 5.697 1.00 0.00 H new ATOM 0 HG SER A 115 3.376 0.620 3.864 1.00 0.00 H new ATOM 1577 N LEU A 116 6.620 -1.214 4.124 1.00 0.00 N ATOM 1578 CA LEU A 116 7.954 -0.609 4.146 1.00 0.00 C ATOM 1579 C LEU A 116 7.914 0.913 4.407 1.00 0.00 C ATOM 1580 O LEU A 116 8.556 1.379 5.351 1.00 0.00 O ATOM 1581 CB LEU A 116 8.700 -0.948 2.852 1.00 0.00 C ATOM 1582 CG LEU A 116 10.215 -0.700 2.857 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.516 0.761 2.633 1.00 0.00 C ATOM 1584 CD2 LEU A 116 10.845 -1.169 4.161 1.00 0.00 C ATOM 0 H LEU A 116 6.393 -1.720 3.268 1.00 0.00 H new ATOM 0 HA LEU A 116 8.501 -1.036 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.526 -1.999 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.261 -0.367 2.041 1.00 0.00 H new ATOM 0 HG LEU A 116 10.648 -1.278 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.595 0.915 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.111 1.072 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.060 1.352 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.918 -0.980 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.401 -0.626 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.667 -2.237 4.288 1.00 0.00 H new ATOM 1595 N ASN A 117 7.174 1.689 3.599 1.00 0.00 N ATOM 1596 CA ASN A 117 7.004 3.126 3.896 1.00 0.00 C ATOM 1597 C ASN A 117 6.155 3.268 5.155 1.00 0.00 C ATOM 1598 O ASN A 117 6.379 4.144 5.989 1.00 0.00 O ATOM 1599 CB ASN A 117 6.319 3.893 2.751 1.00 0.00 C ATOM 1600 CG ASN A 117 4.851 4.211 3.029 1.00 0.00 C ATOM 1601 OD1 ASN A 117 3.958 3.376 2.538 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 4.525 5.212 3.657 1.00 0.00 N flip ATOM 0 H ASN A 117 6.696 1.362 2.759 1.00 0.00 H new ATOM 0 HA ASN A 117 7.998 3.553 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.858 4.824 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.389 3.305 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.241 5.839 4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.538 5.418 3.812 1.00 0.00 H new ATOM 1608 N GLY A 118 5.193 2.359 5.279 1.00 0.00 N ATOM 1609 CA GLY A 118 4.202 2.446 6.322 1.00 0.00 C ATOM 1610 C GLY A 118 2.803 2.155 5.800 1.00 0.00 C ATOM 1611 O GLY A 118 2.596 1.983 4.578 1.00 0.00 O ATOM 0 H GLY A 118 5.087 1.554 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.447 1.741 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.225 3.443 6.763 1.00 0.00 H new ATOM 1615 N THR A 119 1.866 2.025 6.732 1.00 0.00 N ATOM 1616 CA THR A 119 0.456 1.850 6.420 1.00 0.00 C ATOM 1617 C THR A 119 -0.348 3.077 6.843 1.00 0.00 C ATOM 1618 O THR A 119 -0.184 3.577 7.956 1.00 0.00 O ATOM 1619 CB THR A 119 -0.110 0.604 7.131 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.461 -0.585 6.568 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.630 0.544 7.031 1.00 0.00 C ATOM 0 H THR A 119 2.067 2.038 7.732 1.00 0.00 H new ATOM 0 HA THR A 119 0.370 1.719 5.341 1.00 0.00 H new ATOM 0 HB THR A 119 0.156 0.673 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.314 -1.339 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.993 -0.347 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.061 1.431 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.924 0.505 5.982 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.213 3.559 5.962 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.132 4.630 6.319 1.00 0.00 C ATOM 1631 C TYR A 120 -3.519 4.371 5.752 1.00 0.00 C ATOM 1632 O TYR A 120 -3.763 4.574 4.574 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.618 5.985 5.821 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.541 6.585 6.691 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -0.876 7.290 7.838 1.00 0.00 C ATOM 1636 CD2 TYR A 120 0.805 6.447 6.374 1.00 0.00 C ATOM 1637 CE1 TYR A 120 0.093 7.839 8.647 1.00 0.00 C ATOM 1638 CE2 TYR A 120 1.783 6.992 7.183 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.421 7.690 8.315 1.00 0.00 C ATOM 1640 OH TYR A 120 2.391 8.229 9.128 1.00 0.00 O ATOM 0 H TYR A 120 -1.298 3.228 5.001 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.195 4.655 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.231 5.866 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.455 6.681 5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -1.917 7.410 8.101 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.090 5.907 5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.187 8.383 9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.826 6.872 6.930 1.00 0.00 H new ATOM 0 HH TYR A 120 3.276 8.035 8.754 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.433 3.938 6.601 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.823 3.781 6.208 1.00 0.00 C ATOM 1651 C VAL A 121 -6.581 5.001 6.679 1.00 0.00 C ATOM 1652 O VAL A 121 -6.542 5.320 7.860 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.474 2.518 6.819 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.911 2.361 6.346 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.680 1.278 6.478 1.00 0.00 C ATOM 0 H VAL A 121 -4.238 3.688 7.570 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.861 3.672 5.124 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.476 2.642 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.345 1.465 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.491 3.233 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.929 2.272 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.160 0.405 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.638 1.159 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.668 1.374 6.872 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.235 5.696 5.758 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.938 6.938 6.083 1.00 0.00 C ATOM 1667 C ASN A 122 -6.918 7.983 6.542 1.00 0.00 C ATOM 1668 O ASN A 122 -7.210 8.817 7.402 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.991 6.733 7.197 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.748 5.409 7.123 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -9.983 4.896 5.922 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -10.146 4.862 8.154 1.00 0.00 N flip ATOM 0 H ASN A 122 -7.296 5.423 4.777 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.461 7.273 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.494 6.798 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.711 7.550 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.949 5.282 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -10.672 3.990 8.098 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.714 7.916 5.956 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.587 8.772 6.335 1.00 0.00 C ATOM 1680 C ARG A 123 -4.171 8.560 7.803 1.00 0.00 C ATOM 1681 O ARG A 123 -3.648 9.472 8.446 1.00 0.00 O ATOM 1682 CB ARG A 123 -4.926 10.249 6.093 1.00 0.00 C ATOM 1683 CG ARG A 123 -3.707 11.155 6.039 1.00 0.00 C ATOM 1684 CD ARG A 123 -4.092 12.617 6.170 1.00 0.00 C ATOM 1685 NE ARG A 123 -4.607 12.931 7.500 1.00 0.00 N ATOM 1686 CZ ARG A 123 -4.880 14.164 7.923 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -4.656 15.210 7.137 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -5.362 14.346 9.144 1.00 0.00 N ATOM 0 H ARG A 123 -5.496 7.263 5.203 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.743 8.490 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.475 10.338 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -5.590 10.595 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.018 10.886 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.179 11.000 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.223 13.241 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.846 12.861 5.422 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.768 12.158 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -4.272 15.072 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.868 16.151 7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.522 13.544 9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -5.573 15.288 9.474 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.400 7.367 8.344 1.00 0.00 N ATOM 1700 CA GLU A 124 -3.967 7.065 9.708 1.00 0.00 C ATOM 1701 C GLU A 124 -3.562 5.594 9.843 1.00 0.00 C ATOM 1702 O GLU A 124 -4.054 4.732 9.117 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.074 7.405 10.711 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.309 6.534 10.583 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.409 6.942 11.538 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -7.949 8.057 11.389 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -7.725 6.154 12.453 1.00 0.00 O ATOM 0 H GLU A 124 -4.877 6.601 7.868 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.095 7.680 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -4.677 7.309 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.362 8.448 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.682 6.587 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.037 5.495 10.770 1.00 0.00 H new ATOM 1712 N PRO A 125 -2.632 5.291 10.757 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.210 3.917 11.025 1.00 0.00 C ATOM 1714 C PRO A 125 -3.285 3.126 11.769 1.00 0.00 C ATOM 1715 O PRO A 125 -3.771 3.552 12.818 1.00 0.00 O ATOM 1716 CB PRO A 125 -0.961 4.087 11.891 1.00 0.00 C ATOM 1717 CG PRO A 125 -1.132 5.411 12.553 1.00 0.00 C ATOM 1718 CD PRO A 125 -1.912 6.267 11.594 1.00 0.00 C ATOM 0 HA PRO A 125 -2.025 3.356 10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -0.877 3.286 12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.054 4.061 11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -1.662 5.306 13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.165 5.861 12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.601 6.929 12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.255 6.899 10.996 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.666 1.982 11.215 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.702 1.148 11.814 1.00 0.00 C ATOM 1725 C VAL A 126 -4.155 -0.234 12.150 1.00 0.00 C ATOM 1726 O VAL A 126 -2.991 -0.527 11.894 1.00 0.00 O ATOM 1727 CB VAL A 126 -5.914 0.980 10.871 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.462 2.336 10.450 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.545 0.138 9.653 1.00 0.00 C ATOM 0 H VAL A 126 -3.273 1.609 10.351 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.026 1.653 12.724 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.697 0.454 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.315 2.194 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.778 2.891 11.333 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -5.686 2.896 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.415 0.035 9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -4.740 0.626 9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.216 -0.849 9.979 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.002 -1.077 12.720 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.650 -2.464 12.985 1.00 0.00 C ATOM 1741 C ASP A 127 -5.370 -3.374 12.005 1.00 0.00 C ATOM 1742 O ASP A 127 -4.772 -4.260 11.399 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.027 -2.859 14.415 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.124 -2.237 15.458 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -4.357 -1.070 15.839 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -3.184 -2.917 15.913 1.00 0.00 O ATOM 0 H ASP A 127 -5.946 -0.822 13.010 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.572 -2.571 12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.057 -2.560 14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.987 -3.944 14.509 1.00 0.00 H new ATOM 1750 N SER A 128 -6.661 -3.131 11.854 1.00 0.00 N ATOM 1751 CA SER A 128 -7.510 -3.917 10.975 1.00 0.00 C ATOM 1752 C SER A 128 -8.738 -3.095 10.609 1.00 0.00 C ATOM 1753 O SER A 128 -9.738 -3.087 11.326 1.00 0.00 O ATOM 1754 CB SER A 128 -7.899 -5.231 11.660 1.00 0.00 C ATOM 1755 OG SER A 128 -8.599 -6.090 10.775 1.00 0.00 O ATOM 0 H SER A 128 -7.152 -2.380 12.340 1.00 0.00 H new ATOM 0 HA SER A 128 -6.973 -4.169 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.002 -5.733 12.023 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.520 -5.019 12.530 1.00 0.00 H new ATOM 0 HG SER A 128 -8.301 -5.926 9.856 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.632 -2.376 9.501 1.00 0.00 N ATOM 1761 CA ALA A 129 -9.689 -1.480 9.063 1.00 0.00 C ATOM 1762 C ALA A 129 -10.541 -2.140 8.003 1.00 0.00 C ATOM 1763 O ALA A 129 -10.028 -2.791 7.093 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.098 -0.181 8.543 1.00 0.00 C ATOM 0 H ALA A 129 -7.818 -2.397 8.886 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.326 -1.252 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -9.902 0.480 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.528 0.303 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.440 -0.392 7.700 1.00 0.00 H new ATOM 1770 N VAL A 130 -11.842 -1.970 8.139 1.00 0.00 N ATOM 1771 CA VAL A 130 -12.794 -2.590 7.243 1.00 0.00 C ATOM 1772 C VAL A 130 -12.870 -1.833 5.920 1.00 0.00 C ATOM 1773 O VAL A 130 -12.614 -0.626 5.849 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.198 -2.656 7.890 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -14.771 -1.266 8.034 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -15.138 -3.552 7.093 1.00 0.00 C ATOM 0 H VAL A 130 -12.266 -1.400 8.871 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.449 -3.605 7.047 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.094 -3.096 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -15.759 -1.325 8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -14.115 -0.666 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -14.853 -0.802 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -16.115 -3.575 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -15.243 -3.161 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -14.730 -4.562 7.051 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.183 -2.579 4.884 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.405 -2.050 3.554 1.00 0.00 C ATOM 1788 C LEU A 131 -14.623 -1.122 3.575 1.00 0.00 C ATOM 1789 O LEU A 131 -15.726 -1.560 3.886 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.652 -3.236 2.603 1.00 0.00 C ATOM 1791 CG LEU A 131 -13.453 -3.000 1.101 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -13.988 -4.181 0.331 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -14.163 -1.743 0.636 1.00 0.00 C ATOM 0 H LEU A 131 -13.293 -3.591 4.942 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.540 -1.480 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -12.993 -4.050 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -14.675 -3.581 2.756 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.385 -2.879 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -13.847 -4.013 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -13.454 -5.083 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -15.051 -4.302 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.000 -1.608 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -15.231 -1.835 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.768 -0.882 1.175 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.427 0.145 3.232 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.523 1.102 3.185 1.00 0.00 C ATOM 1806 C ALA A 132 -15.480 1.867 1.880 1.00 0.00 C ATOM 1807 O ALA A 132 -14.488 2.520 1.565 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.462 2.063 4.354 1.00 0.00 C ATOM 0 H ALA A 132 -13.517 0.533 2.982 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.461 0.551 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.293 2.765 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.528 1.505 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.521 2.612 4.325 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.560 1.787 1.128 1.00 0.00 N ATOM 1815 CA ASN A 133 -16.581 2.318 -0.222 1.00 0.00 C ATOM 1816 C ASN A 133 -16.326 3.825 -0.247 1.00 0.00 C ATOM 1817 O ASN A 133 -17.043 4.613 0.368 1.00 0.00 O ATOM 1818 CB ASN A 133 -17.901 1.951 -0.916 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.115 2.712 -0.412 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -19.431 3.797 -0.897 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.831 2.130 0.537 1.00 0.00 N ATOM 0 H ASN A 133 -17.436 1.359 1.429 1.00 0.00 H new ATOM 0 HA ASN A 133 -15.764 1.859 -0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -17.795 2.130 -1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.079 0.883 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.675 2.582 0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -19.539 1.229 0.916 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.246 4.205 -0.920 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.950 5.604 -1.127 1.00 0.00 C ATOM 1829 C GLY A 134 -13.757 6.088 -0.327 1.00 0.00 C ATOM 1830 O GLY A 134 -13.234 7.171 -0.593 1.00 0.00 O ATOM 0 H GLY A 134 -14.568 3.561 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.762 5.776 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.824 6.197 -0.858 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.306 5.295 0.637 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.161 5.690 1.446 1.00 0.00 C ATOM 1836 C ASP A 135 -10.901 5.053 0.882 1.00 0.00 C ATOM 1837 O ASP A 135 -10.980 4.216 -0.020 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.357 5.301 2.909 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.701 6.292 3.850 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -10.476 6.529 3.723 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -12.409 6.840 4.721 1.00 0.00 O ATOM 0 H ASP A 135 -13.708 4.388 0.875 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.063 6.775 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.423 5.242 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -11.941 4.308 3.080 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.742 5.417 1.409 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.497 5.041 0.764 1.00 0.00 C ATOM 1847 C GLU A 136 -7.412 4.620 1.773 1.00 0.00 C ATOM 1848 O GLU A 136 -7.411 5.053 2.930 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.043 6.199 -0.140 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.416 7.375 0.578 1.00 0.00 C ATOM 1851 CD GLU A 136 -7.589 8.666 -0.200 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -7.102 8.749 -1.353 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -8.238 9.596 0.322 1.00 0.00 O ATOM 0 H GLU A 136 -9.639 5.962 2.265 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.667 4.156 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -7.326 5.813 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.904 6.557 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -7.867 7.482 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.354 7.183 0.732 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.505 3.744 1.319 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.435 3.184 2.156 1.00 0.00 C ATOM 1860 C VAL A 137 -4.079 3.374 1.486 1.00 0.00 C ATOM 1861 O VAL A 137 -3.962 3.263 0.273 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.628 1.657 2.407 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.581 1.110 3.377 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.033 1.359 2.908 1.00 0.00 C ATOM 0 H VAL A 137 -6.493 3.403 0.358 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.477 3.715 3.107 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.491 1.151 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.747 0.043 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.585 1.267 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.664 1.629 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.140 0.287 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.206 1.891 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -7.761 1.685 2.165 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.065 3.676 2.275 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.699 3.667 1.791 1.00 0.00 C ATOM 1876 C GLN A 138 -1.011 2.365 2.163 1.00 0.00 C ATOM 1877 O GLN A 138 -1.048 1.935 3.321 1.00 0.00 O ATOM 1878 CB GLN A 138 -0.877 4.824 2.364 1.00 0.00 C ATOM 1879 CG GLN A 138 0.622 4.668 2.099 1.00 0.00 C ATOM 1880 CD GLN A 138 0.985 4.778 0.649 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.841 4.058 0.180 1.00 0.00 O ATOM 1882 NE2 GLN A 138 0.412 5.740 -0.042 1.00 0.00 N ATOM 0 H GLN A 138 -3.163 3.931 3.258 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.753 3.775 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.224 5.761 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.048 4.889 3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 138 1.164 5.429 2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.951 3.700 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -0.304 6.323 0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 138 0.684 5.903 -1.011 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.399 1.741 1.174 1.00 0.00 N ATOM 1890 CA ILE A 139 0.526 0.653 1.413 1.00 0.00 C ATOM 1891 C ILE A 139 1.751 0.877 0.554 1.00 0.00 C ATOM 1892 O ILE A 139 1.613 1.249 -0.603 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.088 -0.760 1.138 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.480 -1.445 -0.111 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.600 -0.696 1.028 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.112 -0.941 -1.404 1.00 0.00 C ATOM 0 H ILE A 139 -0.529 1.973 0.189 1.00 0.00 H new ATOM 0 HA ILE A 139 0.784 0.657 2.472 1.00 0.00 H new ATOM 0 HB ILE A 139 0.195 -1.364 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.560 -1.298 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.306 -2.518 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -1.993 -1.694 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.017 -0.314 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -1.877 -0.034 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.339 -1.472 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -1.188 -1.112 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.085 0.126 -1.503 1.00 0.00 H new ATOM 1907 N GLY A 140 2.936 0.734 1.127 1.00 0.00 N ATOM 1908 CA GLY A 140 4.144 0.773 0.310 1.00 0.00 C ATOM 1909 C GLY A 140 4.456 2.164 -0.222 1.00 0.00 C ATOM 1910 O GLY A 140 5.348 2.817 0.283 1.00 0.00 O ATOM 0 H GLY A 140 3.089 0.594 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.988 0.418 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.031 0.086 -0.529 1.00 0.00 H new ATOM 1914 N LYS A 141 3.742 2.601 -1.253 1.00 0.00 N ATOM 1915 CA LYS A 141 3.857 3.970 -1.745 1.00 0.00 C ATOM 1916 C LYS A 141 2.730 4.289 -2.728 1.00 0.00 C ATOM 1917 O LYS A 141 2.837 5.196 -3.548 1.00 0.00 O ATOM 1918 CB LYS A 141 5.239 4.183 -2.372 1.00 0.00 C ATOM 1919 CG LYS A 141 5.682 3.052 -3.282 1.00 0.00 C ATOM 1920 CD LYS A 141 7.173 3.113 -3.618 1.00 0.00 C ATOM 1921 CE LYS A 141 7.518 4.229 -4.592 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.778 3.945 -5.337 1.00 0.00 N ATOM 0 H LYS A 141 3.075 2.025 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 141 3.756 4.661 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.229 5.112 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.974 4.305 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.461 2.098 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.104 3.087 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.742 3.252 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.483 2.158 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.699 4.360 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.622 5.167 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.979 4.729 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.564 3.845 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.671 3.063 -5.877 1.00 0.00 H new ATOM 1932 N PHE A 142 1.625 3.567 -2.585 1.00 0.00 N ATOM 1933 CA PHE A 142 0.498 3.643 -3.513 1.00 0.00 C ATOM 1934 C PHE A 142 -0.707 4.184 -2.770 1.00 0.00 C ATOM 1935 O PHE A 142 -0.914 3.841 -1.609 1.00 0.00 O ATOM 1936 CB PHE A 142 0.141 2.243 -4.070 1.00 0.00 C ATOM 1937 CG PHE A 142 1.331 1.375 -4.338 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.169 1.008 -3.303 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.618 0.933 -5.614 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.268 0.226 -3.532 1.00 0.00 C ATOM 1941 CE2 PHE A 142 2.725 0.144 -5.848 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.552 -0.208 -4.806 1.00 0.00 C ATOM 0 H PHE A 142 1.483 2.909 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 142 0.774 4.293 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.513 1.737 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.424 2.364 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.954 1.343 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.971 1.207 -6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.913 -0.051 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.943 -0.198 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.421 -0.823 -4.988 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.501 5.022 -3.410 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.728 5.481 -2.787 1.00 0.00 C ATOM 1953 C ARG A 143 -3.885 4.601 -3.244 1.00 0.00 C ATOM 1954 O ARG A 143 -4.331 4.688 -4.390 1.00 0.00 O ATOM 1955 CB ARG A 143 -2.994 6.956 -3.099 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.241 7.489 -2.413 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.036 8.886 -1.846 1.00 0.00 C ATOM 1958 NE ARG A 143 -3.870 9.911 -2.881 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.729 10.913 -3.060 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -5.884 10.927 -2.397 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -4.445 11.886 -3.915 1.00 0.00 N ATOM 0 H ARG A 143 -1.324 5.393 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.627 5.400 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.133 7.549 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.096 7.082 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.066 7.506 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -4.528 6.812 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.890 9.146 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.157 8.884 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.057 9.854 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.111 10.170 -1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.542 11.695 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.568 11.867 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.103 12.653 -4.052 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.349 3.745 -2.347 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.373 2.759 -2.665 1.00 0.00 C ATOM 1974 C LEU A 144 -6.714 3.250 -2.200 1.00 0.00 C ATOM 1975 O LEU A 144 -6.779 4.105 -1.351 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.107 1.420 -1.970 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.828 0.689 -2.354 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.609 1.347 -1.743 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.920 -0.759 -1.925 1.00 0.00 C ATOM 0 H LEU A 144 -4.028 3.713 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.355 2.616 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.089 1.593 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -5.950 0.759 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.718 0.738 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.714 0.799 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.537 2.376 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.698 1.340 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.003 -1.279 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.055 -0.811 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.769 -1.232 -2.420 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.769 2.704 -2.758 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.116 2.930 -2.265 1.00 0.00 C ATOM 1992 C VAL A 145 -9.894 1.632 -2.352 1.00 0.00 C ATOM 1993 O VAL A 145 -9.741 0.873 -3.302 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.860 4.048 -3.042 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.210 4.291 -4.384 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.328 3.690 -3.228 1.00 0.00 C ATOM 0 H VAL A 145 -7.722 2.088 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.041 3.266 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 145 -9.797 4.964 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.748 5.079 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.174 4.595 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.239 3.375 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.831 4.488 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.407 2.759 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.799 3.567 -2.253 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.726 1.373 -1.372 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.476 0.136 -1.357 1.00 0.00 C ATOM 2008 C PHE A 146 -12.963 0.358 -1.600 1.00 0.00 C ATOM 2009 O PHE A 146 -13.561 1.302 -1.084 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.232 -0.653 -0.064 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.149 0.143 1.222 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -11.758 1.378 1.367 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.446 -0.372 2.298 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -11.664 2.078 2.554 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.350 0.322 3.487 1.00 0.00 C ATOM 2016 CZ PHE A 146 -10.960 1.550 3.613 1.00 0.00 C ATOM 0 H PHE A 146 -10.901 1.993 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.107 -0.465 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -12.032 -1.385 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.302 -1.211 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -12.313 1.799 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -9.964 -1.334 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -12.143 3.041 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -9.798 -0.097 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 146 -10.886 2.098 4.541 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.547 -0.523 -2.407 1.00 0.00 N ATOM 2026 CA LEU A 147 -14.970 -0.470 -2.721 1.00 0.00 C ATOM 2027 C LEU A 147 -15.615 -1.824 -2.462 1.00 0.00 C ATOM 2028 O LEU A 147 -14.987 -2.868 -2.654 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.216 -0.074 -4.188 1.00 0.00 C ATOM 2030 CG LEU A 147 -14.823 1.352 -4.589 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.311 2.352 -3.554 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.324 1.468 -4.799 1.00 0.00 C ATOM 0 H LEU A 147 -13.049 -1.290 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.415 0.289 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.670 -0.770 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.276 -0.209 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.307 1.583 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.022 3.359 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.397 2.294 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -14.864 2.122 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.074 2.490 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.806 1.211 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.014 0.786 -5.590 1.00 0.00 H new