USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=14 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 115 SER OG : rot -122:sc= 0.192 USER MOD Set 1.2: A 117 ASN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Set 1.3: A 138 GLN : amide:sc= -0.352 X(o=-10,f=-10) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -9.75! C(o=-7.7!,f=-18!) USER MOD Set 2.2: A 119 THR OG1 : rot 158:sc= 2.1 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.0143 K(o=0.029,f=-0.62) USER MOD Set 3.2: A 68 SER OG : rot 130:sc= 0.0143 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -108:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.178 K(o=0.18,f=-1.7!) USER MOD Single : A 77 THR OG1 : rot 43:sc= -3.01! USER MOD Single : A 78 SER OG : rot 157:sc= 0.181 USER MOD Single : A 82 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-7.4!) USER MOD Single : A 93 THR OG1 : rot -91:sc= -1.04 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -1.23! X(o=-1.2!,f=-0.74) USER MOD Single : A 106 ASN : amide:sc= -0.0686 K(o=-0.069,f=-2!) USER MOD Single : A 109 ASN : amide:sc= -1.34! C(o=-1.3!,f=-4.7!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.22 F(o=-1.8!,f=-0.22) USER MOD Single : A 128 SER OG : rot 46:sc= 0.155 USER MOD Single : A 133 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.200 -1.181 -1.640 1.00 0.00 N ATOM 306 CA SER A 23 12.195 0.216 -2.051 1.00 0.00 C ATOM 307 C SER A 23 11.071 1.009 -1.406 1.00 0.00 C ATOM 308 O SER A 23 9.950 0.533 -1.271 1.00 0.00 O ATOM 309 CB SER A 23 12.105 0.352 -3.555 1.00 0.00 C ATOM 310 OG SER A 23 13.304 -0.078 -4.179 1.00 0.00 O ATOM 0 HA SER A 23 13.143 0.630 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.266 -0.237 -3.927 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.907 1.391 -3.818 1.00 0.00 H new ATOM 0 HG SER A 23 13.220 0.018 -5.151 1.00 0.00 H new ATOM 315 N VAL A 24 11.387 2.233 -1.026 1.00 0.00 N ATOM 316 CA VAL A 24 10.441 3.097 -0.353 1.00 0.00 C ATOM 317 C VAL A 24 10.336 4.455 -1.042 1.00 0.00 C ATOM 318 O VAL A 24 11.344 4.994 -1.504 1.00 0.00 O ATOM 319 CB VAL A 24 10.881 3.263 1.104 1.00 0.00 C ATOM 320 CG1 VAL A 24 12.216 3.985 1.194 1.00 0.00 C ATOM 321 CG2 VAL A 24 9.824 3.968 1.935 1.00 0.00 C ATOM 0 H VAL A 24 12.304 2.653 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 24 9.451 2.642 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 24 11.008 2.263 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.504 4.089 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.976 3.411 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.126 4.973 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.175 4.066 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.635 4.958 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.902 3.387 1.920 1.00 0.00 H new ATOM 331 N PHE A 25 9.116 5.000 -1.121 1.00 0.00 N ATOM 332 CA PHE A 25 8.894 6.295 -1.761 1.00 0.00 C ATOM 333 C PHE A 25 7.407 6.661 -1.726 1.00 0.00 C ATOM 334 O PHE A 25 6.650 6.028 -1.000 1.00 0.00 O ATOM 335 CB PHE A 25 9.382 6.239 -3.216 1.00 0.00 C ATOM 336 CG PHE A 25 9.794 7.568 -3.789 1.00 0.00 C ATOM 337 CD1 PHE A 25 10.845 8.281 -3.238 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.126 8.102 -4.879 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.225 9.500 -3.763 1.00 0.00 C ATOM 340 CE2 PHE A 25 9.500 9.321 -5.410 1.00 0.00 C ATOM 341 CZ PHE A 25 10.551 10.022 -4.852 1.00 0.00 C ATOM 0 H PHE A 25 8.272 4.563 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 25 9.453 7.057 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.228 5.554 -3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.589 5.821 -3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.374 7.879 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.303 7.559 -5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.047 10.045 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.971 9.725 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.846 10.975 -5.265 1.00 0.00 H new ATOM 350 N ARG A 26 7.019 7.703 -2.492 1.00 0.00 N ATOM 351 CA ARG A 26 5.606 8.054 -2.731 1.00 0.00 C ATOM 352 C ARG A 26 4.814 8.039 -1.409 1.00 0.00 C ATOM 353 O ARG A 26 5.179 8.753 -0.471 1.00 0.00 O ATOM 354 CB ARG A 26 5.038 7.071 -3.778 1.00 0.00 C ATOM 355 CG ARG A 26 3.616 7.335 -4.273 1.00 0.00 C ATOM 356 CD ARG A 26 3.521 8.446 -5.298 1.00 0.00 C ATOM 357 NE ARG A 26 2.230 8.407 -6.003 1.00 0.00 N ATOM 358 CZ ARG A 26 2.086 8.735 -7.294 1.00 0.00 C ATOM 359 NH1 ARG A 26 3.136 9.126 -8.005 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.893 8.673 -7.877 1.00 0.00 N ATOM 0 H ARG A 26 7.678 8.324 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 26 5.519 9.067 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.704 7.072 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.069 6.068 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.216 6.418 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.985 7.586 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.641 9.411 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.335 8.352 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 26 1.403 8.115 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.057 9.178 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.022 9.375 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.078 8.374 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.792 8.925 -8.860 1.00 0.00 H new ATOM 707 N SER A 55 -17.681 -10.398 -4.014 1.00 0.00 N ATOM 708 CA SER A 55 -16.304 -9.978 -4.190 1.00 0.00 C ATOM 709 C SER A 55 -16.221 -8.458 -4.092 1.00 0.00 C ATOM 710 O SER A 55 -17.028 -7.745 -4.688 1.00 0.00 O ATOM 711 CB SER A 55 -15.776 -10.429 -5.553 1.00 0.00 C ATOM 712 OG SER A 55 -16.415 -11.620 -5.980 1.00 0.00 O ATOM 0 HA SER A 55 -15.695 -10.434 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.940 -9.641 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.700 -10.591 -5.494 1.00 0.00 H new ATOM 0 HG SER A 55 -15.786 -12.369 -5.919 1.00 0.00 H new ATOM 717 N ALA A 56 -15.271 -7.972 -3.319 1.00 0.00 N ATOM 718 CA ALA A 56 -15.027 -6.544 -3.202 1.00 0.00 C ATOM 719 C ALA A 56 -13.530 -6.311 -3.257 1.00 0.00 C ATOM 720 O ALA A 56 -12.774 -7.278 -3.242 1.00 0.00 O ATOM 721 CB ALA A 56 -15.626 -6.003 -1.917 1.00 0.00 C ATOM 0 H ALA A 56 -14.648 -8.550 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.506 -6.012 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.433 -4.933 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.702 -6.178 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.174 -6.509 -1.064 1.00 0.00 H new ATOM 727 N LEU A 57 -13.074 -5.071 -3.367 1.00 0.00 N ATOM 728 CA LEU A 57 -11.636 -4.858 -3.432 1.00 0.00 C ATOM 729 C LEU A 57 -11.194 -3.444 -3.111 1.00 0.00 C ATOM 730 O LEU A 57 -11.890 -2.465 -3.389 1.00 0.00 O ATOM 731 CB LEU A 57 -11.103 -5.291 -4.811 1.00 0.00 C ATOM 732 CG LEU A 57 -11.870 -4.767 -6.035 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.503 -3.325 -6.349 1.00 0.00 C ATOM 734 CD2 LEU A 57 -11.604 -5.655 -7.240 1.00 0.00 C ATOM 0 H LEU A 57 -13.650 -4.230 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.205 -5.479 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.066 -4.967 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.101 -6.380 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.934 -4.794 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.065 -2.988 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.746 -2.693 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.435 -3.258 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.153 -5.274 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.537 -5.657 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.931 -6.672 -7.022 1.00 0.00 H new ATOM 745 N LEU A 58 -10.034 -3.375 -2.474 1.00 0.00 N ATOM 746 CA LEU A 58 -9.282 -2.124 -2.369 1.00 0.00 C ATOM 747 C LEU A 58 -8.403 -2.007 -3.602 1.00 0.00 C ATOM 748 O LEU A 58 -7.513 -2.829 -3.791 1.00 0.00 O ATOM 749 CB LEU A 58 -8.323 -2.103 -1.167 1.00 0.00 C ATOM 750 CG LEU A 58 -8.873 -2.382 0.229 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.201 -3.850 0.398 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.831 -1.960 1.247 1.00 0.00 C ATOM 0 H LEU A 58 -9.588 -4.172 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.008 -1.318 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.537 -2.832 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.849 -1.122 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.794 -1.818 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.591 -4.023 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.950 -4.143 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.298 -4.444 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.206 -2.152 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.915 -2.528 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.622 -0.896 1.134 1.00 0.00 H new ATOM 763 N VAL A 59 -8.623 -1.007 -4.429 1.00 0.00 N ATOM 764 CA VAL A 59 -7.833 -0.861 -5.643 1.00 0.00 C ATOM 765 C VAL A 59 -6.957 0.393 -5.566 1.00 0.00 C ATOM 766 O VAL A 59 -7.443 1.469 -5.226 1.00 0.00 O ATOM 767 CB VAL A 59 -8.748 -0.802 -6.897 1.00 0.00 C ATOM 768 CG1 VAL A 59 -9.809 0.282 -6.757 1.00 0.00 C ATOM 769 CG2 VAL A 59 -7.939 -0.586 -8.167 1.00 0.00 C ATOM 0 H VAL A 59 -9.333 -0.288 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.187 -1.734 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.250 -1.767 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.433 0.298 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.429 0.074 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.325 1.251 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.611 -0.550 -9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.392 0.354 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.234 -1.407 -8.293 1.00 0.00 H new ATOM 779 N VAL A 60 -5.659 0.257 -5.853 1.00 0.00 N ATOM 780 CA VAL A 60 -4.779 1.412 -5.891 1.00 0.00 C ATOM 781 C VAL A 60 -5.152 2.211 -7.132 1.00 0.00 C ATOM 782 O VAL A 60 -4.977 1.753 -8.276 1.00 0.00 O ATOM 783 CB VAL A 60 -3.251 1.034 -5.854 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.038 -0.334 -5.245 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.579 1.086 -7.203 1.00 0.00 C ATOM 0 H VAL A 60 -5.205 -0.633 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.920 2.012 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.786 1.797 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.973 -0.566 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.422 -0.342 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.566 -1.082 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.529 0.813 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.069 0.387 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.653 2.095 -7.608 1.00 0.00 H new ATOM 795 N LYS A 61 -5.761 3.368 -6.868 1.00 0.00 N ATOM 796 CA LYS A 61 -6.321 4.219 -7.902 1.00 0.00 C ATOM 797 C LYS A 61 -5.226 4.700 -8.835 1.00 0.00 C ATOM 798 O LYS A 61 -5.303 4.519 -10.048 1.00 0.00 O ATOM 799 CB LYS A 61 -7.059 5.402 -7.270 1.00 0.00 C ATOM 800 CG LYS A 61 -7.577 6.415 -8.279 1.00 0.00 C ATOM 801 CD LYS A 61 -8.737 7.220 -7.718 1.00 0.00 C ATOM 802 CE LYS A 61 -8.396 7.864 -6.382 1.00 0.00 C ATOM 803 NZ LYS A 61 -9.565 8.574 -5.803 1.00 0.00 N ATOM 0 H LYS A 61 -5.877 3.737 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.038 3.642 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.898 5.024 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.388 5.907 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.770 7.090 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.896 5.898 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.018 7.994 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.603 6.570 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.053 7.099 -5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.573 8.566 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.296 9.001 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.877 9.320 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.342 7.899 -5.653 1.00 0.00 H new ATOM 813 N ARG A 62 -4.203 5.307 -8.255 1.00 0.00 N ATOM 814 CA ARG A 62 -3.030 5.695 -9.006 1.00 0.00 C ATOM 815 C ARG A 62 -1.894 6.031 -8.057 1.00 0.00 C ATOM 816 O ARG A 62 -1.916 7.050 -7.373 1.00 0.00 O ATOM 817 CB ARG A 62 -3.321 6.883 -9.917 1.00 0.00 C ATOM 818 CG ARG A 62 -2.298 7.042 -11.027 1.00 0.00 C ATOM 819 CD ARG A 62 -2.635 8.220 -11.920 1.00 0.00 C ATOM 820 NE ARG A 62 -4.010 8.133 -12.405 1.00 0.00 N ATOM 821 CZ ARG A 62 -4.355 8.047 -13.687 1.00 0.00 C ATOM 822 NH1 ARG A 62 -3.435 8.100 -14.644 1.00 0.00 N ATOM 823 NH2 ARG A 62 -5.634 7.918 -14.004 1.00 0.00 N ATOM 0 H ARG A 62 -4.166 5.540 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.738 4.854 -9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.311 6.763 -10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.346 7.795 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.307 7.182 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.260 6.130 -11.623 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.499 9.150 -11.368 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.948 8.248 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.758 8.139 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.451 8.208 -14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.713 8.033 -15.623 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.341 7.886 -13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.913 7.851 -14.983 1.00 0.00 H new ATOM 834 N GLY A 63 -0.921 5.147 -7.995 1.00 0.00 N ATOM 835 CA GLY A 63 0.237 5.389 -7.186 1.00 0.00 C ATOM 836 C GLY A 63 1.493 5.211 -7.995 1.00 0.00 C ATOM 837 O GLY A 63 1.588 5.709 -9.113 1.00 0.00 O ATOM 0 H GLY A 63 -0.916 4.259 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.199 6.400 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.244 4.705 -6.337 1.00 0.00 H new ATOM 841 N PRO A 64 2.470 4.488 -7.463 1.00 0.00 N ATOM 842 CA PRO A 64 3.713 4.225 -8.166 1.00 0.00 C ATOM 843 C PRO A 64 3.548 3.168 -9.251 1.00 0.00 C ATOM 844 O PRO A 64 3.711 3.454 -10.436 1.00 0.00 O ATOM 845 CB PRO A 64 4.635 3.754 -7.057 1.00 0.00 C ATOM 846 CG PRO A 64 3.731 3.110 -6.081 1.00 0.00 C ATOM 847 CD PRO A 64 2.450 3.888 -6.128 1.00 0.00 C ATOM 0 HA PRO A 64 4.091 5.097 -8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.381 3.053 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.176 4.587 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.562 2.064 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.162 3.127 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.582 3.243 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.411 4.647 -5.346 1.00 0.00 H new ATOM 852 N ASN A 65 3.229 1.944 -8.845 1.00 0.00 N ATOM 853 CA ASN A 65 2.847 0.909 -9.802 1.00 0.00 C ATOM 854 C ASN A 65 1.499 1.268 -10.359 1.00 0.00 C ATOM 855 O ASN A 65 1.271 1.260 -11.568 1.00 0.00 O ATOM 856 CB ASN A 65 2.720 -0.433 -9.113 1.00 0.00 C ATOM 857 CG ASN A 65 2.600 -1.603 -10.071 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.204 -1.614 -11.143 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.798 -2.590 -9.694 1.00 0.00 N ATOM 0 H ASN A 65 3.227 1.645 -7.870 1.00 0.00 H new ATOM 0 HA ASN A 65 3.606 0.844 -10.582 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.589 -0.587 -8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.845 -0.416 -8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.663 -3.398 -10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.316 -2.541 -8.796 1.00 0.00 H new ATOM 865 N ALA A 66 0.626 1.609 -9.425 1.00 0.00 N ATOM 866 CA ALA A 66 -0.764 1.932 -9.707 1.00 0.00 C ATOM 867 C ALA A 66 -1.526 0.769 -10.358 1.00 0.00 C ATOM 868 O ALA A 66 -0.934 -0.232 -10.769 1.00 0.00 O ATOM 869 CB ALA A 66 -0.862 3.185 -10.565 1.00 0.00 C ATOM 0 H ALA A 66 0.866 1.670 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.242 2.121 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.910 3.409 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.406 4.023 -10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.340 3.022 -11.508 1.00 0.00 H new ATOM 875 N GLY A 67 -2.853 0.887 -10.399 1.00 0.00 N ATOM 876 CA GLY A 67 -3.654 -0.103 -11.096 1.00 0.00 C ATOM 877 C GLY A 67 -3.899 -1.369 -10.292 1.00 0.00 C ATOM 878 O GLY A 67 -4.472 -2.326 -10.808 1.00 0.00 O ATOM 0 H GLY A 67 -3.382 1.644 -9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.614 0.340 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.157 -0.367 -12.030 1.00 0.00 H new ATOM 882 N SER A 68 -3.451 -1.402 -9.044 1.00 0.00 N ATOM 883 CA SER A 68 -3.392 -2.668 -8.311 1.00 0.00 C ATOM 884 C SER A 68 -4.562 -2.780 -7.333 1.00 0.00 C ATOM 885 O SER A 68 -5.357 -1.862 -7.249 1.00 0.00 O ATOM 886 CB SER A 68 -2.059 -2.764 -7.592 1.00 0.00 C ATOM 887 OG SER A 68 -0.993 -2.396 -8.455 1.00 0.00 O ATOM 0 H SER A 68 -3.128 -0.587 -8.523 1.00 0.00 H new ATOM 0 HA SER A 68 -3.475 -3.500 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.065 -2.114 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.907 -3.782 -7.232 1.00 0.00 H new ATOM 0 HG SER A 68 -0.424 -1.735 -8.008 1.00 0.00 H new ATOM 892 N ARG A 69 -4.676 -3.887 -6.587 1.00 0.00 N ATOM 893 CA ARG A 69 -5.869 -4.105 -5.756 1.00 0.00 C ATOM 894 C ARG A 69 -5.726 -5.327 -4.847 1.00 0.00 C ATOM 895 O ARG A 69 -4.998 -6.261 -5.179 1.00 0.00 O ATOM 896 CB ARG A 69 -7.117 -4.289 -6.642 1.00 0.00 C ATOM 897 CG ARG A 69 -7.230 -5.657 -7.311 1.00 0.00 C ATOM 898 CD ARG A 69 -6.132 -5.899 -8.333 1.00 0.00 C ATOM 899 NE ARG A 69 -5.388 -7.131 -8.063 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.113 -8.051 -8.990 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.589 -7.915 -10.224 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.385 -9.118 -8.680 1.00 0.00 N ATOM 0 H ARG A 69 -3.977 -4.628 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.979 -3.220 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.006 -4.123 -6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.113 -3.521 -7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.190 -6.435 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.201 -5.740 -7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.571 -5.952 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.444 -5.053 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.061 -7.296 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.165 -7.107 -10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.379 -8.618 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.033 -9.237 -7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.178 -9.818 -9.392 1.00 0.00 H new ATOM 913 N PHE A 70 -6.461 -5.340 -3.727 1.00 0.00 N ATOM 914 CA PHE A 70 -6.572 -6.536 -2.917 1.00 0.00 C ATOM 915 C PHE A 70 -7.841 -7.229 -3.365 1.00 0.00 C ATOM 916 O PHE A 70 -8.896 -6.590 -3.396 1.00 0.00 O ATOM 917 CB PHE A 70 -6.722 -6.260 -1.401 1.00 0.00 C ATOM 918 CG PHE A 70 -5.723 -5.347 -0.736 1.00 0.00 C ATOM 919 CD1 PHE A 70 -4.844 -4.572 -1.460 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.696 -5.260 0.650 1.00 0.00 C ATOM 921 CE1 PHE A 70 -3.955 -3.728 -0.829 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.808 -4.417 1.290 1.00 0.00 C ATOM 923 CZ PHE A 70 -3.938 -3.648 0.547 1.00 0.00 C ATOM 0 H PHE A 70 -6.980 -4.537 -3.372 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.659 -7.117 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.715 -5.842 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.691 -7.219 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.851 -4.626 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.378 -5.859 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.272 -3.129 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.795 -4.361 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.245 -2.984 1.042 1.00 0.00 H new ATOM 932 N LEU A 71 -7.755 -8.509 -3.698 1.00 0.00 N ATOM 933 CA LEU A 71 -8.896 -9.235 -4.215 1.00 0.00 C ATOM 934 C LEU A 71 -9.693 -9.815 -3.062 1.00 0.00 C ATOM 935 O LEU A 71 -9.435 -10.909 -2.591 1.00 0.00 O ATOM 936 CB LEU A 71 -8.428 -10.326 -5.193 1.00 0.00 C ATOM 937 CG LEU A 71 -9.481 -11.356 -5.595 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.433 -11.627 -7.089 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.273 -12.647 -4.820 1.00 0.00 C ATOM 0 H LEU A 71 -6.903 -9.063 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.547 -8.557 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.057 -9.842 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.585 -10.852 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.464 -10.951 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.193 -12.364 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.623 -10.702 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.449 -12.010 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.030 -13.374 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.282 -13.046 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.358 -12.448 -3.752 1.00 0.00 H new ATOM 950 N LEU A 72 -10.665 -9.076 -2.597 1.00 0.00 N ATOM 951 CA LEU A 72 -11.435 -9.512 -1.453 1.00 0.00 C ATOM 952 C LEU A 72 -12.564 -10.426 -1.929 1.00 0.00 C ATOM 953 O LEU A 72 -13.744 -10.162 -1.700 1.00 0.00 O ATOM 954 CB LEU A 72 -12.008 -8.320 -0.654 1.00 0.00 C ATOM 955 CG LEU A 72 -11.021 -7.444 0.136 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.725 -7.223 -0.600 1.00 0.00 C ATOM 957 CD2 LEU A 72 -11.657 -6.106 0.443 1.00 0.00 C ATOM 0 H LEU A 72 -10.944 -8.175 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.772 -10.057 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.543 -7.676 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.745 -8.711 0.048 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.788 -7.976 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.066 -6.598 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.244 -8.183 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.926 -6.727 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.954 -5.489 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.918 -5.605 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.558 -6.259 1.037 1.00 0.00 H new ATOM 968 N ASP A 73 -12.172 -11.473 -2.641 1.00 0.00 N ATOM 969 CA ASP A 73 -13.102 -12.456 -3.183 1.00 0.00 C ATOM 970 C ASP A 73 -12.969 -13.768 -2.423 1.00 0.00 C ATOM 971 O ASP A 73 -13.893 -14.581 -2.376 1.00 0.00 O ATOM 972 CB ASP A 73 -12.805 -12.667 -4.675 1.00 0.00 C ATOM 973 CG ASP A 73 -13.597 -13.799 -5.309 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.765 -13.577 -5.680 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.038 -14.904 -5.476 1.00 0.00 O ATOM 0 H ASP A 73 -11.195 -11.666 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.124 -12.094 -3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.019 -11.743 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.741 -12.868 -4.798 1.00 0.00 H new ATOM 979 N GLN A 74 -11.805 -13.965 -1.823 1.00 0.00 N ATOM 980 CA GLN A 74 -11.542 -15.177 -1.056 1.00 0.00 C ATOM 981 C GLN A 74 -11.620 -14.879 0.440 1.00 0.00 C ATOM 982 O GLN A 74 -12.150 -13.848 0.828 1.00 0.00 O ATOM 983 CB GLN A 74 -10.185 -15.771 -1.443 1.00 0.00 C ATOM 984 CG GLN A 74 -8.996 -14.884 -1.123 1.00 0.00 C ATOM 985 CD GLN A 74 -7.733 -15.360 -1.807 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.780 -15.926 -2.898 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.604 -15.154 -1.165 1.00 0.00 N ATOM 0 H GLN A 74 -11.028 -13.304 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.304 -15.920 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.060 -16.724 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.187 -15.983 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.213 -13.862 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.839 -14.864 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.610 -14.680 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.722 -15.468 -1.570 1.00 0.00 H new ATOM 994 N ALA A 75 -11.148 -15.789 1.278 1.00 0.00 N ATOM 995 CA ALA A 75 -11.181 -15.568 2.723 1.00 0.00 C ATOM 996 C ALA A 75 -10.172 -14.506 3.164 1.00 0.00 C ATOM 997 O ALA A 75 -10.475 -13.675 4.022 1.00 0.00 O ATOM 998 CB ALA A 75 -10.932 -16.869 3.467 1.00 0.00 C ATOM 0 H ALA A 75 -10.741 -16.679 0.991 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.176 -15.199 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.960 -16.685 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.703 -17.593 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.954 -17.264 3.192 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.972 -14.533 2.590 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.938 -13.578 2.971 1.00 0.00 C ATOM 1006 C ILE A 76 -6.846 -13.484 1.909 1.00 0.00 C ATOM 1007 O ILE A 76 -6.331 -14.500 1.445 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.352 -13.916 4.380 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.134 -13.039 4.743 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -7.000 -15.390 4.482 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.794 -13.574 4.263 1.00 0.00 C ATOM 0 H ILE A 76 -8.695 -15.198 1.868 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.402 -12.594 3.039 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.134 -13.691 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.283 -12.044 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.096 -12.925 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.594 -15.600 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.896 -15.990 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.257 -15.640 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.000 -12.891 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.615 -14.555 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.805 -13.660 3.176 1.00 0.00 H new ATOM 1022 N THR A 77 -6.523 -12.256 1.509 1.00 0.00 N ATOM 1023 CA THR A 77 -5.483 -12.018 0.514 1.00 0.00 C ATOM 1024 C THR A 77 -4.285 -11.303 1.122 1.00 0.00 C ATOM 1025 O THR A 77 -4.432 -10.238 1.726 1.00 0.00 O ATOM 1026 CB THR A 77 -5.993 -11.162 -0.657 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.467 -9.894 -0.191 1.00 0.00 O ATOM 1028 CG2 THR A 77 -7.093 -11.875 -1.404 1.00 0.00 C ATOM 0 H THR A 77 -6.969 -11.409 1.861 1.00 0.00 H new ATOM 0 HA THR A 77 -5.190 -13.002 0.149 1.00 0.00 H new ATOM 0 HB THR A 77 -5.157 -10.997 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.848 -9.540 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.438 -11.250 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.713 -12.818 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.924 -12.073 -0.727 1.00 0.00 H new ATOM 1036 N SER A 78 -3.108 -11.875 0.952 1.00 0.00 N ATOM 1037 CA SER A 78 -1.875 -11.217 1.351 1.00 0.00 C ATOM 1038 C SER A 78 -1.642 -10.012 0.439 1.00 0.00 C ATOM 1039 O SER A 78 -1.630 -10.160 -0.774 1.00 0.00 O ATOM 1040 CB SER A 78 -0.729 -12.214 1.240 1.00 0.00 C ATOM 1041 OG SER A 78 -0.980 -13.367 2.021 1.00 0.00 O ATOM 0 H SER A 78 -2.978 -12.798 0.538 1.00 0.00 H new ATOM 0 HA SER A 78 -1.937 -10.868 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.591 -12.500 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.199 -11.744 1.567 1.00 0.00 H new ATOM 0 HG SER A 78 -0.458 -14.119 1.671 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.441 -8.829 1.019 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.400 -7.589 0.243 1.00 0.00 C ATOM 1048 C ALA A 79 -0.103 -6.816 0.411 1.00 0.00 C ATOM 1049 O ALA A 79 0.115 -6.205 1.455 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.549 -6.703 0.674 1.00 0.00 C ATOM 0 H ALA A 79 -1.304 -8.703 2.022 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.476 -7.869 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.528 -5.776 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.493 -7.218 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.455 -6.476 1.736 1.00 0.00 H new ATOM 1056 N GLY A 80 0.735 -6.793 -0.618 1.00 0.00 N ATOM 1057 CA GLY A 80 1.956 -6.034 -0.537 1.00 0.00 C ATOM 1058 C GLY A 80 2.922 -6.400 -1.627 1.00 0.00 C ATOM 1059 O GLY A 80 2.531 -6.607 -2.774 1.00 0.00 O ATOM 0 H GLY A 80 0.588 -7.285 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.726 -4.970 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.424 -6.203 0.433 1.00 0.00 H new ATOM 1063 N ARG A 81 4.187 -6.484 -1.272 1.00 0.00 N ATOM 1064 CA ARG A 81 5.197 -6.908 -2.204 1.00 0.00 C ATOM 1065 C ARG A 81 5.120 -8.412 -2.362 1.00 0.00 C ATOM 1066 O ARG A 81 5.523 -9.172 -1.487 1.00 0.00 O ATOM 1067 CB ARG A 81 6.575 -6.431 -1.732 1.00 0.00 C ATOM 1068 CG ARG A 81 7.746 -7.270 -2.232 1.00 0.00 C ATOM 1069 CD ARG A 81 8.312 -8.192 -1.156 1.00 0.00 C ATOM 1070 NE ARG A 81 9.451 -7.594 -0.464 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.652 -8.184 -0.383 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.868 -9.341 -0.993 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.647 -7.605 0.277 1.00 0.00 N ATOM 0 H ARG A 81 4.536 -6.262 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 81 5.029 -6.462 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.719 -5.401 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.589 -6.426 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.422 -7.868 -3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.535 -6.608 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.531 -8.426 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.618 -9.134 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 81 9.327 -6.684 -0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.119 -9.784 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.783 -9.788 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.502 -6.702 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.557 -8.063 0.332 1.00 0.00 H new ATOM 1084 N HIS A 82 4.564 -8.845 -3.468 1.00 0.00 N ATOM 1085 CA HIS A 82 4.295 -10.246 -3.635 1.00 0.00 C ATOM 1086 C HIS A 82 4.820 -10.776 -4.948 1.00 0.00 C ATOM 1087 O HIS A 82 4.438 -10.296 -6.012 1.00 0.00 O ATOM 1088 CB HIS A 82 2.801 -10.522 -3.566 1.00 0.00 C ATOM 1089 CG HIS A 82 2.305 -10.579 -2.182 1.00 0.00 C ATOM 1090 ND1 HIS A 82 3.029 -11.125 -1.152 1.00 0.00 N ATOM 1091 CD2 HIS A 82 1.156 -10.148 -1.650 1.00 0.00 C ATOM 1092 CE1 HIS A 82 2.333 -11.026 -0.046 1.00 0.00 C ATOM 1093 NE2 HIS A 82 1.193 -10.436 -0.318 1.00 0.00 N ATOM 0 H HIS A 82 4.293 -8.254 -4.254 1.00 0.00 H new ATOM 0 HA HIS A 82 4.810 -10.756 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.265 -9.744 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.585 -11.466 -4.066 1.00 0.00 H new ATOM 0 HD1 HIS A 82 3.957 -11.540 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.349 -9.662 -2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.646 -11.373 0.928 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.437 -12.854 -4.689 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.543 -11.881 -4.667 1.00 0.00 C ATOM 1135 C ASP A 86 -3.147 -10.449 -5.047 1.00 0.00 C ATOM 1136 O ASP A 86 -3.366 -10.014 -6.181 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.210 -11.895 -3.284 1.00 0.00 C ATOM 1138 CG ASP A 86 -4.398 -13.306 -2.754 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -5.004 -14.138 -3.463 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -3.947 -13.583 -1.620 1.00 0.00 O ATOM 0 HA ASP A 86 -4.240 -12.202 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.602 -11.323 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.179 -11.399 -3.344 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.589 -9.713 -4.098 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.331 -8.289 -4.279 1.00 0.00 C ATOM 1146 C ILE A 87 -0.836 -7.980 -4.260 1.00 0.00 C ATOM 1147 O ILE A 87 -0.157 -8.095 -3.235 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.101 -7.446 -3.227 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.337 -6.185 -2.817 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.454 -8.274 -2.016 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.531 -5.040 -3.765 1.00 0.00 C ATOM 0 H ILE A 87 -2.304 -10.079 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.702 -8.009 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.026 -7.121 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.659 -5.881 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.274 -6.418 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.992 -7.656 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.083 -9.111 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.542 -8.654 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.962 -4.178 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.183 -5.326 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.589 -4.782 -3.812 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.341 -7.602 -5.424 1.00 0.00 N ATOM 1163 CA PHE A 88 1.045 -7.256 -5.616 1.00 0.00 C ATOM 1164 C PHE A 88 1.173 -5.758 -5.843 1.00 0.00 C ATOM 1165 O PHE A 88 0.672 -5.232 -6.838 1.00 0.00 O ATOM 1166 CB PHE A 88 1.582 -7.990 -6.841 1.00 0.00 C ATOM 1167 CG PHE A 88 0.821 -9.240 -7.199 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.341 -9.167 -7.955 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.267 -10.485 -6.785 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -1.042 -10.307 -8.286 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.569 -11.631 -7.116 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.588 -11.541 -7.867 1.00 0.00 C ATOM 0 H PHE A 88 -0.903 -7.527 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 88 1.613 -7.541 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.564 -7.311 -7.694 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.625 -8.252 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.701 -8.205 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.170 -10.561 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.946 -10.234 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.927 -12.596 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.136 -12.435 -8.125 1.00 0.00 H new ATOM 1181 N LEU A 89 1.817 -5.065 -4.923 1.00 0.00 N ATOM 1182 CA LEU A 89 2.042 -3.640 -5.090 1.00 0.00 C ATOM 1183 C LEU A 89 3.467 -3.364 -5.524 1.00 0.00 C ATOM 1184 O LEU A 89 4.328 -3.034 -4.700 1.00 0.00 O ATOM 1185 CB LEU A 89 1.701 -2.872 -3.813 1.00 0.00 C ATOM 1186 CG LEU A 89 0.205 -2.686 -3.566 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.061 -1.466 -2.711 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.531 -2.556 -4.877 1.00 0.00 C ATOM 0 H LEU A 89 2.191 -5.460 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 89 1.375 -3.288 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.134 -3.397 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.174 -1.891 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.156 -3.566 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.134 -1.360 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.438 -1.580 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.321 -0.578 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.596 -2.424 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.151 -1.693 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.378 -3.457 -5.471 1.00 0.00 H new ATOM 1199 N ASP A 90 3.712 -3.547 -6.828 1.00 0.00 N ATOM 1200 CA ASP A 90 5.018 -3.290 -7.453 1.00 0.00 C ATOM 1201 C ASP A 90 6.035 -4.335 -6.996 1.00 0.00 C ATOM 1202 O ASP A 90 7.142 -4.419 -7.521 1.00 0.00 O ATOM 1203 CB ASP A 90 5.501 -1.867 -7.126 1.00 0.00 C ATOM 1204 CG ASP A 90 6.663 -1.405 -7.988 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.419 -0.937 -9.120 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.819 -1.481 -7.530 1.00 0.00 O ATOM 0 H ASP A 90 3.005 -3.880 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 90 4.912 -3.367 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.670 -1.173 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.798 -1.825 -6.078 1.00 0.00 H new ATOM 1210 N ASP A 91 5.589 -5.147 -6.027 1.00 0.00 N ATOM 1211 CA ASP A 91 6.370 -6.204 -5.375 1.00 0.00 C ATOM 1212 C ASP A 91 7.817 -5.802 -5.112 1.00 0.00 C ATOM 1213 O ASP A 91 8.722 -6.633 -5.165 1.00 0.00 O ATOM 1214 CB ASP A 91 6.294 -7.537 -6.143 1.00 0.00 C ATOM 1215 CG ASP A 91 6.889 -7.500 -7.541 1.00 0.00 C ATOM 1216 OD1 ASP A 91 6.144 -7.202 -8.501 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.091 -7.807 -7.695 1.00 0.00 O ATOM 0 H ASP A 91 4.638 -5.082 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 91 5.905 -6.354 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.809 -8.304 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.249 -7.840 -6.215 1.00 0.00 H new ATOM 1221 N VAL A 92 8.011 -4.536 -4.767 1.00 0.00 N ATOM 1222 CA VAL A 92 9.342 -3.989 -4.536 1.00 0.00 C ATOM 1223 C VAL A 92 9.301 -2.881 -3.467 1.00 0.00 C ATOM 1224 O VAL A 92 10.328 -2.357 -3.059 1.00 0.00 O ATOM 1225 CB VAL A 92 9.910 -3.430 -5.873 1.00 0.00 C ATOM 1226 CG1 VAL A 92 11.146 -2.559 -5.676 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.246 -4.558 -6.836 1.00 0.00 C ATOM 0 H VAL A 92 7.255 -3.863 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 92 9.992 -4.784 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 92 9.122 -2.804 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.495 -2.199 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.895 -1.709 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.933 -3.146 -5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.641 -4.140 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.993 -5.211 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.345 -5.132 -7.052 1.00 0.00 H new ATOM 1237 N THR A 93 8.115 -2.555 -2.966 1.00 0.00 N ATOM 1238 CA THR A 93 7.963 -1.358 -2.138 1.00 0.00 C ATOM 1239 C THR A 93 7.612 -1.663 -0.669 1.00 0.00 C ATOM 1240 O THR A 93 8.033 -0.953 0.246 1.00 0.00 O ATOM 1241 CB THR A 93 6.866 -0.445 -2.728 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.578 -1.048 -2.529 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.058 -0.236 -4.225 1.00 0.00 C ATOM 0 H THR A 93 7.258 -3.089 -3.113 1.00 0.00 H new ATOM 0 HA THR A 93 8.934 -0.863 -2.144 1.00 0.00 H new ATOM 0 HB THR A 93 6.933 0.517 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.356 -1.608 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.268 0.411 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.027 0.229 -4.406 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.016 -1.198 -4.735 1.00 0.00 H new ATOM 1251 N VAL A 94 6.833 -2.705 -0.447 1.00 0.00 N ATOM 1252 CA VAL A 94 6.290 -2.994 0.878 1.00 0.00 C ATOM 1253 C VAL A 94 6.820 -4.333 1.397 1.00 0.00 C ATOM 1254 O VAL A 94 7.209 -5.178 0.608 1.00 0.00 O ATOM 1255 CB VAL A 94 4.735 -2.965 0.819 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.235 -3.388 -0.556 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.100 -3.833 1.893 1.00 0.00 C ATOM 0 H VAL A 94 6.558 -3.372 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 94 6.617 -2.229 1.582 1.00 0.00 H new ATOM 0 HB VAL A 94 4.434 -1.934 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.145 -3.359 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.627 -2.706 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.575 -4.401 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.015 -3.779 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.423 -4.866 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.407 -3.477 2.877 1.00 0.00 H new ATOM 1267 N SER A 95 6.862 -4.504 2.723 1.00 0.00 N ATOM 1268 CA SER A 95 7.450 -5.693 3.351 1.00 0.00 C ATOM 1269 C SER A 95 6.622 -6.952 3.085 1.00 0.00 C ATOM 1270 O SER A 95 5.971 -7.479 3.991 1.00 0.00 O ATOM 1271 CB SER A 95 7.579 -5.454 4.853 1.00 0.00 C ATOM 1272 OG SER A 95 8.158 -4.183 5.105 1.00 0.00 O ATOM 0 H SER A 95 6.491 -3.826 3.389 1.00 0.00 H new ATOM 0 HA SER A 95 8.434 -5.858 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.597 -5.513 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.193 -6.235 5.300 1.00 0.00 H new ATOM 0 HG SER A 95 8.233 -4.043 6.072 1.00 0.00 H new ATOM 1277 N ARG A 96 6.690 -7.434 1.842 1.00 0.00 N ATOM 1278 CA ARG A 96 5.868 -8.551 1.344 1.00 0.00 C ATOM 1279 C ARG A 96 4.361 -8.266 1.437 1.00 0.00 C ATOM 1280 O ARG A 96 3.632 -8.476 0.481 1.00 0.00 O ATOM 1281 CB ARG A 96 6.234 -9.871 2.030 1.00 0.00 C ATOM 1282 CG ARG A 96 5.369 -11.048 1.590 1.00 0.00 C ATOM 1283 CD ARG A 96 4.437 -11.491 2.705 1.00 0.00 C ATOM 1284 NE ARG A 96 4.323 -10.449 3.692 1.00 0.00 N ATOM 1285 CZ ARG A 96 4.630 -10.606 4.986 1.00 0.00 C ATOM 1286 NH1 ARG A 96 5.003 -11.796 5.438 1.00 0.00 N ATOM 1287 NH2 ARG A 96 4.583 -9.572 5.820 1.00 0.00 N ATOM 0 H ARG A 96 7.326 -7.057 1.139 1.00 0.00 H new ATOM 0 HA ARG A 96 6.099 -8.654 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.279 -10.101 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.143 -9.747 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.785 -10.766 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.007 -11.881 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.454 -11.726 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.817 -12.402 3.168 1.00 0.00 H new ATOM 0 HE ARG A 96 3.988 -9.535 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.056 -12.590 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.237 -11.917 6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.312 -8.651 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.818 -9.700 6.804 1.00 0.00 H new ATOM 1298 N ARG A 97 3.890 -7.820 2.579 1.00 0.00 N ATOM 1299 CA ARG A 97 2.507 -7.380 2.709 1.00 0.00 C ATOM 1300 C ARG A 97 2.398 -6.283 3.759 1.00 0.00 C ATOM 1301 O ARG A 97 3.104 -6.296 4.759 1.00 0.00 O ATOM 1302 CB ARG A 97 1.566 -8.552 3.069 1.00 0.00 C ATOM 1303 CG ARG A 97 1.693 -9.039 4.507 1.00 0.00 C ATOM 1304 CD ARG A 97 0.654 -10.097 4.865 1.00 0.00 C ATOM 1305 NE ARG A 97 0.811 -11.339 4.100 1.00 0.00 N ATOM 1306 CZ ARG A 97 1.169 -12.511 4.641 1.00 0.00 C ATOM 1307 NH1 ARG A 97 1.479 -12.594 5.921 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.217 -13.603 3.894 1.00 0.00 N ATOM 0 H ARG A 97 4.439 -7.750 3.436 1.00 0.00 H new ATOM 0 HA ARG A 97 2.195 -6.986 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.536 -8.243 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.769 -9.385 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.691 -9.450 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.590 -8.191 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.724 -10.321 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.343 -9.693 4.690 1.00 0.00 H new ATOM 0 HE ARG A 97 0.637 -11.308 3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.447 -11.761 6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.750 -13.491 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.981 -13.554 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.490 -14.494 4.310 1.00 0.00 H new ATOM 1319 N HIS A 98 1.543 -5.313 3.475 1.00 0.00 N ATOM 1320 CA HIS A 98 1.178 -4.284 4.438 1.00 0.00 C ATOM 1321 C HIS A 98 0.010 -4.788 5.215 1.00 0.00 C ATOM 1322 O HIS A 98 -0.091 -4.602 6.419 1.00 0.00 O ATOM 1323 CB HIS A 98 0.805 -2.969 3.715 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.645 -2.533 3.862 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.059 -1.697 4.868 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.774 -2.812 3.128 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.354 -1.481 4.763 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.811 -2.138 3.719 1.00 0.00 N ATOM 0 H HIS A 98 1.082 -5.216 2.570 1.00 0.00 H new ATOM 0 HA HIS A 98 2.019 -4.073 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.446 -2.172 4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.027 -3.082 2.654 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.455 -1.302 5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.832 -3.442 2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.944 -0.865 5.426 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.877 -5.406 4.486 1.00 0.00 N ATOM 1337 CA ALA A 99 -2.049 -5.948 5.062 1.00 0.00 C ATOM 1338 C ALA A 99 -2.357 -7.264 4.436 1.00 0.00 C ATOM 1339 O ALA A 99 -1.723 -7.677 3.467 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.235 -5.011 4.919 1.00 0.00 C ATOM 0 H ALA A 99 -0.797 -5.542 3.478 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.865 -6.083 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.115 -5.465 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.015 -4.067 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.428 -4.827 3.862 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.294 -7.928 5.021 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.879 -9.083 4.423 1.00 0.00 C ATOM 1348 C GLU A 100 -5.371 -8.999 4.642 1.00 0.00 C ATOM 1349 O GLU A 100 -5.824 -8.813 5.772 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.244 -10.348 5.009 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.130 -10.309 6.523 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.365 -11.481 7.084 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -2.973 -12.550 7.265 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -1.162 -11.330 7.376 1.00 0.00 O ATOM 0 H GLU A 100 -3.680 -7.685 5.933 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.694 -9.128 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.838 -11.214 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.251 -10.482 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.637 -9.384 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.130 -10.293 6.957 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.107 -9.040 3.534 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.547 -8.902 3.533 1.00 0.00 C ATOM 1361 C PHE A 101 -8.137 -9.937 4.451 1.00 0.00 C ATOM 1362 O PHE A 101 -8.325 -11.087 4.090 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.079 -9.013 2.092 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.421 -9.677 1.984 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.506 -9.234 2.722 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.579 -10.773 1.159 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.723 -9.873 2.630 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.791 -11.413 1.067 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.866 -10.964 1.802 1.00 0.00 C ATOM 0 H PHE A 101 -5.708 -9.172 2.605 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.842 -7.921 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.144 -8.013 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.360 -9.571 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.397 -8.381 3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.741 -11.131 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.564 -9.519 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.901 -12.269 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.819 -11.467 1.729 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.389 -9.520 5.659 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.842 -10.422 6.658 1.00 0.00 C ATOM 1380 C ARG A 102 -10.363 -10.409 6.718 1.00 0.00 C ATOM 1381 O ARG A 102 -10.949 -9.507 7.321 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.261 -10.025 8.013 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.397 -11.104 9.061 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.525 -12.295 8.723 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.106 -11.942 8.723 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.313 -12.104 9.790 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -5.829 -12.459 10.960 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.011 -11.895 9.702 1.00 0.00 N ATOM 0 H ARG A 102 -8.285 -8.554 5.969 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.508 -11.429 6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.206 -9.779 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.761 -9.122 8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.116 -10.707 10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.438 -11.419 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.702 -13.092 9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.804 -12.684 7.744 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.701 -11.554 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.834 -12.610 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.221 -12.581 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.600 -11.607 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.418 -12.022 10.522 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.012 -11.367 6.076 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.461 -11.420 6.130 1.00 0.00 C ATOM 1401 C LEU A 103 -12.906 -12.030 7.451 1.00 0.00 C ATOM 1402 O LEU A 103 -12.808 -13.239 7.668 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.058 -12.191 4.946 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.566 -11.972 4.731 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.956 -12.252 3.293 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.375 -12.848 5.663 1.00 0.00 C ATOM 0 H LEU A 103 -10.570 -12.102 5.524 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.834 -10.398 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.529 -11.901 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.877 -13.256 5.095 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.783 -10.927 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.027 -12.090 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.408 -11.582 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.714 -13.286 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.438 -12.676 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.142 -13.895 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.129 -12.604 6.697 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.381 -11.170 8.329 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.902 -11.578 9.619 1.00 0.00 C ATOM 1419 C GLU A 104 -15.374 -11.243 9.660 1.00 0.00 C ATOM 1420 O GLU A 104 -15.754 -10.164 9.219 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.175 -10.851 10.747 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.671 -11.034 10.704 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.232 -12.410 11.163 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -11.536 -12.784 12.315 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -10.574 -13.126 10.382 1.00 0.00 O ATOM 0 H GLU A 104 -13.417 -10.164 8.167 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.750 -12.649 9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.407 -9.787 10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.551 -11.211 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.318 -10.866 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.200 -10.279 11.333 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.184 -12.184 10.144 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.645 -12.038 10.216 1.00 0.00 C ATOM 1432 C ASN A 105 -18.219 -11.368 8.965 1.00 0.00 C ATOM 1433 O ASN A 105 -19.016 -10.434 9.046 1.00 0.00 O ATOM 1434 CB ASN A 105 -18.109 -11.354 11.528 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.539 -9.966 11.813 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.177 -9.664 12.953 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -17.513 -9.097 10.823 1.00 0.00 N ATOM 0 H ASN A 105 -15.846 -13.078 10.501 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.058 -13.046 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.196 -11.278 11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.851 -12.006 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -17.187 -8.145 10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.819 -9.376 9.891 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.768 -11.865 7.808 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.287 -11.465 6.486 1.00 0.00 C ATOM 1445 C ASN A 106 -17.770 -10.103 6.039 1.00 0.00 C ATOM 1446 O ASN A 106 -18.130 -9.624 4.963 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.817 -11.419 6.470 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.490 -12.765 6.683 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -19.939 -13.672 7.312 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -21.700 -12.901 6.165 1.00 0.00 N ATOM 0 H ASN A 106 -17.026 -12.563 7.757 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.927 -12.227 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.155 -10.731 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.146 -11.010 5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -22.208 -13.778 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.124 -12.129 5.651 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.917 -9.483 6.831 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.427 -8.164 6.497 1.00 0.00 C ATOM 1458 C GLU A 107 -14.987 -8.228 6.023 1.00 0.00 C ATOM 1459 O GLU A 107 -14.187 -8.999 6.546 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.552 -7.218 7.695 1.00 0.00 C ATOM 1461 CG GLU A 107 -17.991 -6.969 8.125 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.098 -6.009 9.295 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -17.870 -6.437 10.446 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -18.433 -4.826 9.073 1.00 0.00 O ATOM 0 H GLU A 107 -16.553 -9.869 7.702 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.040 -7.774 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.997 -7.634 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.086 -6.265 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.554 -6.570 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.454 -7.918 8.396 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.668 -7.422 5.022 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.319 -7.378 4.491 1.00 0.00 C ATOM 1471 C PHE A 108 -12.512 -6.346 5.263 1.00 0.00 C ATOM 1472 O PHE A 108 -12.937 -5.196 5.400 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.319 -7.035 2.995 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.540 -7.504 2.241 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.663 -8.826 1.829 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.562 -6.621 1.941 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.781 -9.249 1.136 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.682 -7.041 1.248 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.792 -8.356 0.845 1.00 0.00 C ATOM 0 H PHE A 108 -15.325 -6.791 4.563 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.868 -8.364 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.233 -5.954 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.434 -7.474 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.876 -9.530 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.484 -5.590 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.864 -10.279 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.471 -6.339 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.667 -8.685 0.304 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.362 -6.755 5.779 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.552 -5.881 6.620 1.00 0.00 C ATOM 1490 C ASN A 109 -9.107 -5.904 6.174 1.00 0.00 C ATOM 1491 O ASN A 109 -8.677 -6.827 5.487 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.625 -6.319 8.085 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.042 -6.373 8.603 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.554 -5.399 9.143 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.686 -7.516 8.444 1.00 0.00 N ATOM 0 H ASN A 109 -10.968 -7.684 5.631 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.948 -4.870 6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.166 -7.302 8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.044 -5.629 8.697 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.646 -7.611 8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.223 -8.303 7.989 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.355 -4.891 6.561 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.929 -4.875 6.290 1.00 0.00 C ATOM 1503 C VAL A 110 -6.151 -5.008 7.579 1.00 0.00 C ATOM 1504 O VAL A 110 -6.370 -4.265 8.528 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.475 -3.606 5.529 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.363 -3.390 4.340 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.461 -2.365 6.406 1.00 0.00 C ATOM 0 H VAL A 110 -8.704 -4.073 7.061 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.723 -5.727 5.642 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.447 -3.771 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.043 -2.496 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.299 -4.253 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.393 -3.264 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.135 -1.507 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.464 -2.180 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.775 -2.516 7.239 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.256 -5.965 7.610 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.420 -6.176 8.778 1.00 0.00 C ATOM 1519 C VAL A 111 -3.040 -5.595 8.550 1.00 0.00 C ATOM 1520 O VAL A 111 -2.286 -6.102 7.728 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.287 -7.676 9.118 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.023 -7.936 9.930 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -5.521 -8.160 9.870 1.00 0.00 C ATOM 0 H VAL A 111 -5.084 -6.613 6.842 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.901 -5.671 9.616 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.210 -8.235 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.950 -8.999 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.151 -7.627 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.064 -7.367 10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.413 -9.219 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.628 -7.594 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.406 -8.013 9.250 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.708 -4.546 9.281 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.389 -3.945 9.164 1.00 0.00 C ATOM 1535 C ASP A 112 -0.369 -4.832 9.855 1.00 0.00 C ATOM 1536 O ASP A 112 -0.553 -5.218 11.011 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.345 -2.546 9.771 1.00 0.00 C ATOM 1538 CG ASP A 112 0.061 -1.967 9.780 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.798 -2.155 8.783 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.431 -1.309 10.776 1.00 0.00 O ATOM 0 H ASP A 112 -3.326 -4.095 9.956 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.155 -3.853 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.004 -1.886 9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.728 -2.582 10.791 1.00 0.00 H new ATOM 1544 N VAL A 113 0.699 -5.159 9.155 1.00 0.00 N ATOM 1545 CA VAL A 113 1.698 -6.057 9.682 1.00 0.00 C ATOM 1546 C VAL A 113 3.069 -5.420 9.562 1.00 0.00 C ATOM 1547 O VAL A 113 4.089 -6.036 9.875 1.00 0.00 O ATOM 1548 CB VAL A 113 1.684 -7.415 8.948 1.00 0.00 C ATOM 1549 CG1 VAL A 113 0.348 -8.119 9.145 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.970 -7.228 7.468 1.00 0.00 C ATOM 0 H VAL A 113 0.895 -4.813 8.216 1.00 0.00 H new ATOM 0 HA VAL A 113 1.467 -6.243 10.731 1.00 0.00 H new ATOM 0 HB VAL A 113 2.469 -8.039 9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.359 -9.074 8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.181 -8.292 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.454 -7.496 8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.956 -8.197 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.209 -6.583 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.951 -6.770 7.342 1.00 0.00 H new ATOM 1560 N GLY A 114 3.081 -4.171 9.111 1.00 0.00 N ATOM 1561 CA GLY A 114 4.324 -3.451 8.994 1.00 0.00 C ATOM 1562 C GLY A 114 4.818 -3.337 7.566 1.00 0.00 C ATOM 1563 O GLY A 114 5.592 -4.170 7.099 1.00 0.00 O ATOM 0 H GLY A 114 2.252 -3.650 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.197 -2.451 9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.084 -3.951 9.595 1.00 0.00 H new ATOM 1567 N SER A 115 4.371 -2.304 6.871 1.00 0.00 N ATOM 1568 CA SER A 115 4.849 -2.020 5.524 1.00 0.00 C ATOM 1569 C SER A 115 6.096 -1.146 5.600 1.00 0.00 C ATOM 1570 O SER A 115 6.157 -0.261 6.453 1.00 0.00 O ATOM 1571 CB SER A 115 3.749 -1.324 4.717 1.00 0.00 C ATOM 1572 OG SER A 115 4.214 -0.893 3.447 1.00 0.00 O ATOM 0 H SER A 115 3.675 -1.644 7.218 1.00 0.00 H new ATOM 0 HA SER A 115 5.105 -2.953 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.910 -2.007 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.376 -0.466 5.277 1.00 0.00 H new ATOM 0 HG SER A 115 4.082 0.074 3.361 1.00 0.00 H new ATOM 1577 N LEU A 116 7.090 -1.389 4.739 1.00 0.00 N ATOM 1578 CA LEU A 116 8.368 -0.663 4.837 1.00 0.00 C ATOM 1579 C LEU A 116 8.176 0.860 4.855 1.00 0.00 C ATOM 1580 O LEU A 116 8.601 1.546 5.786 1.00 0.00 O ATOM 1581 CB LEU A 116 9.242 -1.025 3.651 1.00 0.00 C ATOM 1582 CG LEU A 116 10.511 -0.196 3.522 1.00 0.00 C ATOM 1583 CD1 LEU A 116 11.587 -0.708 4.466 1.00 0.00 C ATOM 1584 CD2 LEU A 116 10.982 -0.201 2.087 1.00 0.00 C ATOM 0 H LEU A 116 7.041 -2.068 3.980 1.00 0.00 H new ATOM 0 HA LEU A 116 8.836 -0.956 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.517 -2.077 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.657 -0.914 2.738 1.00 0.00 H new ATOM 0 HG LEU A 116 10.295 0.834 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.486 -0.101 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.229 -0.646 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.819 -1.745 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.891 0.394 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.188 -1.225 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.208 0.224 1.448 1.00 0.00 H new ATOM 1595 N ASN A 117 7.530 1.357 3.813 1.00 0.00 N ATOM 1596 CA ASN A 117 7.176 2.765 3.669 1.00 0.00 C ATOM 1597 C ASN A 117 6.158 3.174 4.727 1.00 0.00 C ATOM 1598 O ASN A 117 6.223 4.268 5.284 1.00 0.00 O ATOM 1599 CB ASN A 117 6.547 2.910 2.299 1.00 0.00 C ATOM 1600 CG ASN A 117 5.573 1.780 2.079 1.00 0.00 C ATOM 1601 OD1 ASN A 117 4.382 1.911 2.337 1.00 0.00 O ATOM 1602 ND2 ASN A 117 6.079 0.635 1.630 1.00 0.00 N ATOM 0 H ASN A 117 7.229 0.783 3.025 1.00 0.00 H new ATOM 0 HA ASN A 117 8.058 3.395 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.034 3.869 2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.318 2.897 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 117 5.470 -0.171 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.076 0.563 1.426 1.00 0.00 H new ATOM 1608 N GLY A 118 5.239 2.259 5.013 1.00 0.00 N ATOM 1609 CA GLY A 118 4.181 2.536 5.947 1.00 0.00 C ATOM 1610 C GLY A 118 2.818 2.014 5.503 1.00 0.00 C ATOM 1611 O GLY A 118 2.621 1.588 4.332 1.00 0.00 O ATOM 0 H GLY A 118 5.214 1.324 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.434 2.093 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.116 3.613 6.099 1.00 0.00 H new ATOM 1615 N THR A 119 1.925 1.967 6.492 1.00 0.00 N ATOM 1616 CA THR A 119 0.505 1.700 6.310 1.00 0.00 C ATOM 1617 C THR A 119 -0.320 2.939 6.675 1.00 0.00 C ATOM 1618 O THR A 119 -0.132 3.512 7.749 1.00 0.00 O ATOM 1619 CB THR A 119 0.054 0.520 7.197 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.587 -0.711 6.690 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.465 0.433 7.284 1.00 0.00 C ATOM 0 H THR A 119 2.181 2.118 7.468 1.00 0.00 H new ATOM 0 HA THR A 119 0.343 1.446 5.262 1.00 0.00 H new ATOM 0 HB THR A 119 0.438 0.694 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.604 -1.380 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.746 -0.409 7.916 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.858 1.355 7.712 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.879 0.291 6.286 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.221 3.356 5.792 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.155 4.436 6.112 1.00 0.00 C ATOM 1631 C TYR A 120 -3.542 4.172 5.532 1.00 0.00 C ATOM 1632 O TYR A 120 -3.763 4.321 4.342 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.635 5.783 5.598 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.741 6.516 6.575 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -1.287 7.301 7.581 1.00 0.00 C ATOM 1636 CD2 TYR A 120 0.641 6.432 6.489 1.00 0.00 C ATOM 1637 CE1 TYR A 120 -0.485 7.980 8.475 1.00 0.00 C ATOM 1638 CE2 TYR A 120 1.452 7.107 7.381 1.00 0.00 C ATOM 1639 CZ TYR A 120 0.884 7.881 8.371 1.00 0.00 C ATOM 1640 OH TYR A 120 1.690 8.559 9.261 1.00 0.00 O ATOM 0 H TYR A 120 -1.326 2.968 4.855 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.235 4.473 7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.084 5.618 4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.486 6.419 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.361 7.382 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.090 5.830 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.929 8.585 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.526 7.029 7.303 1.00 0.00 H new ATOM 0 HH TYR A 120 2.631 8.382 9.051 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.480 3.796 6.382 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.862 3.594 5.961 1.00 0.00 C ATOM 1651 C VAL A 121 -6.679 4.813 6.343 1.00 0.00 C ATOM 1652 O VAL A 121 -6.649 5.226 7.495 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.490 2.353 6.623 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.913 2.131 6.127 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.640 1.128 6.367 1.00 0.00 C ATOM 0 H VAL A 121 -4.313 3.623 7.373 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.863 3.442 4.882 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.531 2.527 7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.333 1.249 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.523 3.002 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.903 1.983 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.099 0.261 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.564 0.956 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.644 1.283 6.781 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.394 5.396 5.385 1.00 0.00 N ATOM 1666 CA ASN A 122 -8.122 6.644 5.632 1.00 0.00 C ATOM 1667 C ASN A 122 -7.135 7.752 5.969 1.00 0.00 C ATOM 1668 O ASN A 122 -7.472 8.708 6.667 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.112 6.497 6.795 1.00 0.00 C ATOM 1670 CG ASN A 122 -10.416 5.834 6.419 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.362 4.895 5.494 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -11.466 6.151 6.981 1.00 0.00 N flip ATOM 0 H ASN A 122 -7.487 5.031 4.437 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.680 6.888 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.639 5.919 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.324 7.485 7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -11.463 6.883 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -12.338 5.681 6.736 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.903 7.592 5.483 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.798 8.479 5.825 1.00 0.00 C ATOM 1680 C ARG A 123 -4.466 8.427 7.327 1.00 0.00 C ATOM 1681 O ARG A 123 -3.747 9.288 7.832 1.00 0.00 O ATOM 1682 CB ARG A 123 -5.082 9.922 5.388 1.00 0.00 C ATOM 1683 CG ARG A 123 -5.372 10.060 3.900 1.00 0.00 C ATOM 1684 CD ARG A 123 -4.984 11.434 3.386 1.00 0.00 C ATOM 1685 NE ARG A 123 -3.551 11.668 3.547 1.00 0.00 N ATOM 1686 CZ ARG A 123 -2.969 12.859 3.473 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -3.661 13.936 3.118 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -1.672 12.967 3.724 1.00 0.00 N ATOM 0 H ARG A 123 -5.647 6.842 4.841 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.926 8.121 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.933 10.303 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.225 10.546 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.825 9.296 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -6.433 9.887 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.254 11.522 2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.544 12.199 3.924 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.956 10.860 3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -4.654 13.855 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.200 14.844 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.130 12.139 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.216 13.878 3.670 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.993 7.423 8.038 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.629 7.199 9.442 1.00 0.00 C ATOM 1701 C GLU A 124 -4.049 5.788 9.626 1.00 0.00 C ATOM 1702 O GLU A 124 -4.285 4.901 8.811 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.847 7.380 10.362 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.816 6.209 10.337 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.856 6.288 11.431 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -7.486 6.159 12.619 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -9.054 6.455 11.113 1.00 0.00 O ATOM 0 H GLU A 124 -5.669 6.756 7.667 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.874 7.937 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.499 7.530 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.379 8.286 10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.315 6.177 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.258 5.279 10.439 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.249 5.570 10.681 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.709 4.244 10.998 1.00 0.00 C ATOM 1714 C PRO A 125 -3.749 3.323 11.651 1.00 0.00 C ATOM 1715 O PRO A 125 -4.442 3.721 12.592 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.578 4.555 11.981 1.00 0.00 C ATOM 1717 CG PRO A 125 -2.000 5.815 12.654 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.774 6.598 11.627 1.00 0.00 C ATOM 0 HA PRO A 125 -2.387 3.711 10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.445 3.747 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.627 4.681 11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -2.616 5.603 13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.135 6.379 13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.605 7.139 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.145 7.337 11.131 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.858 2.094 11.150 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.780 1.100 11.712 1.00 0.00 C ATOM 1725 C VAL A 126 -4.077 -0.251 11.839 1.00 0.00 C ATOM 1726 O VAL A 126 -2.927 -0.393 11.431 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.048 0.913 10.838 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.736 2.245 10.569 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.710 0.205 9.533 1.00 0.00 C ATOM 0 H VAL A 126 -3.318 1.758 10.352 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.087 1.471 12.690 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.744 0.285 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.621 2.080 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.031 2.700 11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.049 2.910 10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.616 0.086 8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -4.985 0.797 8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.287 -0.776 9.750 1.00 0.00 H new ATOM 1739 N ASP A 127 -4.775 -1.232 12.401 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.265 -2.601 12.477 1.00 0.00 C ATOM 1741 C ASP A 127 -5.197 -3.560 11.749 1.00 0.00 C ATOM 1742 O ASP A 127 -4.755 -4.569 11.208 1.00 0.00 O ATOM 1743 CB ASP A 127 -4.098 -3.056 13.931 1.00 0.00 C ATOM 1744 CG ASP A 127 -2.856 -2.490 14.587 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -1.742 -2.965 14.276 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -2.990 -1.584 15.431 1.00 0.00 O ATOM 0 H ASP A 127 -5.700 -1.106 12.813 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.287 -2.611 11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -4.975 -2.754 14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.056 -4.145 13.963 1.00 0.00 H new ATOM 1750 N SER A 128 -6.485 -3.244 11.753 1.00 0.00 N ATOM 1751 CA SER A 128 -7.486 -4.041 11.055 1.00 0.00 C ATOM 1752 C SER A 128 -8.754 -3.219 10.853 1.00 0.00 C ATOM 1753 O SER A 128 -9.643 -3.187 11.705 1.00 0.00 O ATOM 1754 CB SER A 128 -7.772 -5.337 11.824 1.00 0.00 C ATOM 1755 OG SER A 128 -8.033 -5.085 13.198 1.00 0.00 O ATOM 0 H SER A 128 -6.865 -2.431 12.238 1.00 0.00 H new ATOM 0 HA SER A 128 -7.102 -4.320 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.628 -5.844 11.378 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.920 -6.010 11.733 1.00 0.00 H new ATOM 0 HG SER A 128 -8.663 -4.339 13.280 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.817 -2.547 9.714 1.00 0.00 N ATOM 1761 CA ALA A 129 -9.908 -1.633 9.418 1.00 0.00 C ATOM 1762 C ALA A 129 -10.928 -2.276 8.492 1.00 0.00 C ATOM 1763 O ALA A 129 -10.567 -3.063 7.614 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.361 -0.368 8.783 1.00 0.00 C ATOM 0 H ALA A 129 -8.119 -2.619 8.974 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.408 -1.385 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.183 0.313 8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.665 0.113 9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.842 -0.620 7.858 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.192 -1.929 8.690 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.273 -2.445 7.861 1.00 0.00 C ATOM 1772 C VAL A 130 -13.465 -1.550 6.645 1.00 0.00 C ATOM 1773 O VAL A 130 -13.753 -0.360 6.785 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.609 -2.520 8.632 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.645 -3.300 7.835 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.410 -3.135 10.008 1.00 0.00 C ATOM 0 H VAL A 130 -12.496 -1.288 9.423 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.992 -3.453 7.557 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.978 -1.504 8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.579 -3.342 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.817 -2.805 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.282 -4.313 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.366 -3.176 10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.011 -4.144 9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.710 -2.527 10.581 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.300 -2.129 5.463 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.418 -1.393 4.210 1.00 0.00 C ATOM 1788 C LEU A 131 -14.786 -0.731 4.022 1.00 0.00 C ATOM 1789 O LEU A 131 -15.774 -1.107 4.658 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.156 -2.321 3.032 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.695 -2.515 2.643 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -10.926 -1.210 2.792 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.049 -3.613 3.467 1.00 0.00 C ATOM 0 H LEU A 131 -13.081 -3.118 5.345 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.673 -0.599 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.582 -3.297 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.693 -1.936 2.166 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.663 -2.820 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.885 -1.367 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.367 -0.452 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -10.975 -0.875 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.007 -3.728 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -11.095 -3.350 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.580 -4.551 3.303 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.827 0.234 3.104 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.034 0.973 2.785 1.00 0.00 C ATOM 1806 C ALA A 132 -15.833 1.680 1.453 1.00 0.00 C ATOM 1807 O ALA A 132 -14.700 1.793 0.988 1.00 0.00 O ATOM 1808 CB ALA A 132 -16.347 1.976 3.883 1.00 0.00 C ATOM 0 H ALA A 132 -14.014 0.522 2.560 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.878 0.288 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.255 2.522 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.492 1.449 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.518 2.677 3.983 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.903 2.151 0.829 1.00 0.00 N ATOM 1815 CA ASN A 133 -16.769 2.768 -0.484 1.00 0.00 C ATOM 1816 C ASN A 133 -16.074 4.120 -0.366 1.00 0.00 C ATOM 1817 O ASN A 133 -16.573 5.044 0.270 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.126 2.880 -1.205 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.097 3.858 -0.570 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -19.805 3.519 0.375 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.171 5.062 -1.118 1.00 0.00 N ATOM 0 H ASN A 133 -17.853 2.120 1.199 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.145 2.121 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -17.951 3.181 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.590 1.894 -1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.834 5.747 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -18.565 5.304 -1.902 1.00 0.00 H new ATOM 1827 N GLY A 134 -14.884 4.201 -0.942 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.100 5.416 -0.867 1.00 0.00 C ATOM 1829 C GLY A 134 -12.970 5.298 0.139 1.00 0.00 C ATOM 1830 O GLY A 134 -12.114 6.176 0.225 1.00 0.00 O ATOM 0 H GLY A 134 -14.445 3.442 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.689 5.644 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.747 6.249 -0.591 1.00 0.00 H new ATOM 1834 N ASP A 135 -12.975 4.203 0.891 1.00 0.00 N ATOM 1835 CA ASP A 135 -11.971 3.950 1.918 1.00 0.00 C ATOM 1836 C ASP A 135 -10.604 3.743 1.276 1.00 0.00 C ATOM 1837 O ASP A 135 -10.384 2.749 0.582 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.373 2.706 2.716 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.677 2.602 4.052 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -10.553 2.072 4.108 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -12.268 3.053 5.061 1.00 0.00 O ATOM 0 H ASP A 135 -13.675 3.466 0.806 1.00 0.00 H new ATOM 0 HA ASP A 135 -11.911 4.808 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.451 2.718 2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.148 1.817 2.127 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.702 4.690 1.474 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.387 4.613 0.856 1.00 0.00 C ATOM 1847 C GLU A 136 -7.353 3.965 1.775 1.00 0.00 C ATOM 1848 O GLU A 136 -7.454 4.039 3.002 1.00 0.00 O ATOM 1849 CB GLU A 136 -7.889 6.001 0.415 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.778 7.026 1.536 1.00 0.00 C ATOM 1851 CD GLU A 136 -9.090 7.707 1.852 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -9.885 7.144 2.630 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -9.328 8.817 1.324 1.00 0.00 O ATOM 0 H GLU A 136 -9.853 5.516 2.053 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.502 3.981 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -6.911 5.889 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.565 6.389 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -7.406 6.533 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -7.042 7.781 1.258 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.347 3.343 1.164 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.258 2.722 1.908 1.00 0.00 C ATOM 1860 C VAL A 137 -3.936 3.124 1.282 1.00 0.00 C ATOM 1861 O VAL A 137 -3.828 3.257 0.063 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.336 1.156 1.962 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.616 0.503 0.824 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -4.785 0.623 3.274 1.00 0.00 C ATOM 0 H VAL A 137 -6.265 3.257 0.151 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.344 3.077 2.935 1.00 0.00 H new ATOM 0 HB VAL A 137 -6.394 0.906 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.703 -0.580 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -5.056 0.827 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -3.564 0.786 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -4.852 -0.465 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -3.742 0.923 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -5.364 1.028 4.103 1.00 0.00 H new ATOM 1874 N GLN A 138 -2.954 3.366 2.110 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.611 3.528 1.635 1.00 0.00 C ATOM 1876 C GLN A 138 -0.793 2.333 2.060 1.00 0.00 C ATOM 1877 O GLN A 138 -0.638 2.053 3.250 1.00 0.00 O ATOM 1878 CB GLN A 138 -0.985 4.830 2.132 1.00 0.00 C ATOM 1879 CG GLN A 138 0.425 5.062 1.602 1.00 0.00 C ATOM 1880 CD GLN A 138 1.502 4.715 2.601 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.879 5.533 3.431 1.00 0.00 O ATOM 1882 NE2 GLN A 138 2.040 3.517 2.485 1.00 0.00 N ATOM 0 H GLN A 138 -3.063 3.455 3.120 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.628 3.589 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.619 5.666 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -0.959 4.820 3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.570 4.467 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.530 6.108 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 138 1.693 2.868 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.803 3.239 3.102 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.322 1.605 1.074 1.00 0.00 N ATOM 1890 CA ILE A 139 0.556 0.480 1.300 1.00 0.00 C ATOM 1891 C ILE A 139 1.645 0.489 0.271 1.00 0.00 C ATOM 1892 O ILE A 139 1.371 0.683 -0.909 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.175 -0.886 1.247 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.658 -1.944 0.498 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.567 -0.781 0.660 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.139 -3.151 0.045 1.00 0.00 C ATOM 0 H ILE A 139 -0.537 1.776 0.092 1.00 0.00 H new ATOM 0 HA ILE A 139 0.960 0.591 2.306 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.289 -1.211 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.119 -1.478 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.468 -2.279 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.032 -1.767 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.168 -0.104 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -1.505 -0.396 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.519 -3.848 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -0.578 -3.644 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.932 -2.831 -0.630 1.00 0.00 H new ATOM 1907 N GLY A 140 2.876 0.338 0.714 1.00 0.00 N ATOM 1908 CA GLY A 140 3.958 0.154 -0.246 1.00 0.00 C ATOM 1909 C GLY A 140 4.438 1.477 -0.789 1.00 0.00 C ATOM 1910 O GLY A 140 5.629 1.779 -0.750 1.00 0.00 O ATOM 0 H GLY A 140 3.153 0.338 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.787 -0.368 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.616 -0.476 -1.067 1.00 0.00 H new ATOM 1914 N LYS A 141 3.500 2.210 -1.361 1.00 0.00 N ATOM 1915 CA LYS A 141 3.609 3.636 -1.590 1.00 0.00 C ATOM 1916 C LYS A 141 2.481 4.048 -2.521 1.00 0.00 C ATOM 1917 O LYS A 141 2.608 4.960 -3.316 1.00 0.00 O ATOM 1918 CB LYS A 141 4.988 4.028 -2.147 1.00 0.00 C ATOM 1919 CG LYS A 141 5.384 3.342 -3.433 1.00 0.00 C ATOM 1920 CD LYS A 141 6.774 3.764 -3.882 1.00 0.00 C ATOM 1921 CE LYS A 141 7.184 2.992 -5.117 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.538 3.347 -5.609 1.00 0.00 N ATOM 0 H LYS A 141 2.617 1.817 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 141 3.517 4.168 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.003 5.106 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.742 3.810 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.358 2.261 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.660 3.581 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 141 6.786 4.833 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.491 3.589 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 141 7.153 1.925 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 141 6.458 3.175 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.758 2.784 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 8.566 4.359 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.240 3.147 -4.868 1.00 0.00 H new ATOM 1932 N PHE A 142 1.361 3.352 -2.400 1.00 0.00 N ATOM 1933 CA PHE A 142 0.245 3.526 -3.316 1.00 0.00 C ATOM 1934 C PHE A 142 -0.935 4.098 -2.561 1.00 0.00 C ATOM 1935 O PHE A 142 -0.987 4.008 -1.335 1.00 0.00 O ATOM 1936 CB PHE A 142 -0.191 2.191 -3.947 1.00 0.00 C ATOM 1937 CG PHE A 142 0.931 1.340 -4.473 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.022 1.025 -3.681 1.00 0.00 C ATOM 1939 CD2 PHE A 142 0.882 0.841 -5.757 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.046 0.243 -4.159 1.00 0.00 C ATOM 1941 CE2 PHE A 142 1.903 0.058 -6.240 1.00 0.00 C ATOM 1942 CZ PHE A 142 2.985 -0.242 -5.443 1.00 0.00 C ATOM 0 H PHE A 142 1.201 2.657 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 142 0.571 4.198 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.743 1.618 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.881 2.401 -4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 142 2.069 1.401 -2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.035 1.067 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.893 0.011 -3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.856 -0.324 -7.249 1.00 0.00 H new ATOM 0 HZ PHE A 142 3.785 -0.858 -5.827 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.881 4.661 -3.289 1.00 0.00 N ATOM 1952 CA ARG A 143 -3.097 5.162 -2.683 1.00 0.00 C ATOM 1953 C ARG A 143 -4.285 4.380 -3.218 1.00 0.00 C ATOM 1954 O ARG A 143 -4.754 4.623 -4.332 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.268 6.649 -2.973 1.00 0.00 C ATOM 1956 CG ARG A 143 -3.973 7.400 -1.859 1.00 0.00 C ATOM 1957 CD ARG A 143 -5.292 8.014 -2.313 1.00 0.00 C ATOM 1958 NE ARG A 143 -5.109 8.935 -3.431 1.00 0.00 N ATOM 1959 CZ ARG A 143 -5.934 9.938 -3.728 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.956 10.236 -2.934 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -5.696 10.672 -4.805 1.00 0.00 N ATOM 0 H ARG A 143 -1.829 4.782 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.036 5.033 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.287 7.095 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.833 6.769 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.160 6.720 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.319 8.188 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.980 7.221 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.752 8.543 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.292 8.801 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.117 9.694 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.580 11.007 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.890 10.466 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -6.319 11.443 -5.045 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.741 3.420 -2.437 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.854 2.580 -2.833 1.00 0.00 C ATOM 1974 C LEU A 144 -7.152 3.199 -2.408 1.00 0.00 C ATOM 1975 O LEU A 144 -7.168 4.111 -1.603 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.773 1.188 -2.208 1.00 0.00 C ATOM 1977 CG LEU A 144 -4.589 0.337 -2.646 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -3.315 0.768 -1.940 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -4.882 -1.130 -2.401 1.00 0.00 C ATOM 0 H LEU A 144 -4.355 3.202 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.804 2.489 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.737 1.298 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.691 0.650 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 144 -4.434 0.483 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -2.486 0.143 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -3.102 1.810 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -3.442 0.660 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -4.029 -1.729 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -5.065 -1.292 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -5.764 -1.425 -2.970 1.00 0.00 H new ATOM 1990 N VAL A 145 -8.224 2.718 -2.992 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.557 2.994 -2.512 1.00 0.00 C ATOM 1992 C VAL A 145 -10.393 1.729 -2.661 1.00 0.00 C ATOM 1993 O VAL A 145 -10.258 0.992 -3.637 1.00 0.00 O ATOM 1994 CB VAL A 145 -10.220 4.190 -3.245 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.320 4.738 -4.339 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.575 3.800 -3.799 1.00 0.00 C ATOM 0 H VAL A 145 -8.196 2.121 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.496 3.285 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.369 4.985 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.815 5.575 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.381 5.078 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.117 3.955 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -12.020 4.655 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.457 2.978 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -12.225 3.486 -2.983 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.222 1.464 -1.682 1.00 0.00 N ATOM 2007 CA PHE A 146 -12.059 0.278 -1.693 1.00 0.00 C ATOM 2008 C PHE A 146 -13.474 0.603 -2.134 1.00 0.00 C ATOM 2009 O PHE A 146 -14.008 1.661 -1.805 1.00 0.00 O ATOM 2010 CB PHE A 146 -12.090 -0.350 -0.303 1.00 0.00 C ATOM 2011 CG PHE A 146 -13.119 -1.434 -0.145 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.815 -2.746 -0.440 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.392 -1.134 0.309 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -13.757 -3.739 -0.283 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.335 -2.121 0.471 1.00 0.00 C ATOM 2016 CZ PHE A 146 -15.021 -3.426 0.172 1.00 0.00 C ATOM 0 H PHE A 146 -11.339 2.055 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.631 -0.426 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.106 -0.762 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.283 0.430 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -11.828 -2.998 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.648 -0.110 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.506 -4.763 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.322 -1.872 0.833 1.00 0.00 H new ATOM 0 HZ PHE A 146 -15.761 -4.203 0.293 1.00 0.00 H new ATOM 2025 N LEU A 147 -14.069 -0.316 -2.883 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.484 -0.245 -3.216 1.00 0.00 C ATOM 2027 C LEU A 147 -16.150 -1.583 -2.922 1.00 0.00 C ATOM 2028 O LEU A 147 -15.607 -2.641 -3.249 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.709 0.137 -4.688 1.00 0.00 C ATOM 2030 CG LEU A 147 -15.381 1.587 -5.062 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.866 2.540 -3.979 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.892 1.759 -5.316 1.00 0.00 C ATOM 0 H LEU A 147 -13.588 -1.126 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.931 0.535 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -15.106 -0.524 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.753 -0.055 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.905 1.829 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.625 3.565 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.945 2.440 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.376 2.299 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.685 2.796 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -13.337 1.496 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.585 1.109 -6.135 1.00 0.00 H new