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 98 HIS : no HE2:sc= -7.46! C(o=-3.3!,f=-9!) USER MOD Set 1.2: A 115 SER OG : rot -88:sc= 1.07 USER MOD Set 1.3: A 119 THR OG1 : rot 175:sc= 3.1 USER MOD Set 2.1: A 93 THR OG1 : rot -145:sc= 1.06 USER MOD Set 2.2: A 117 ASN :FLIP amide:sc= -4.89! C(o=-6.5!,f=-3.8!) USER MOD Set 3.1: A 65 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Set 3.2: A 68 SER OG : rot -140:sc= 0 USER MOD Single : A 23 SER OG : rot 33:sc= 0.189 USER MOD Single : A 55 SER OG : rot -73:sc= 1.29 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.447! (180deg=-0.813!) USER MOD Single : A 74 GLN : amide:sc= 0.464 K(o=0.46,f=-0.49) USER MOD Single : A 77 THR OG1 : rot -127:sc= 0.144 USER MOD Single : A 78 SER OG : rot 141:sc= 0.795 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -9.88! C(o=-11!,f=-9.9!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0577 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 109 ASN : amide:sc= -5.12! C(o=-5.1!,f=-8.2!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -2.78! C(o=-2.8!,f=-4!) USER MOD Single : A 128 SER OG : rot 50:sc= 0.0425 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc= -3.93! C(o=-3.9!,f=-15!) USER MOD Single : A 141 LYS NZ :NH3+ -141:sc= -0.0579 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.316 -1.155 -1.398 1.00 0.00 N ATOM 306 CA SER A 23 12.428 0.246 -1.814 1.00 0.00 C ATOM 307 C SER A 23 11.435 1.186 -1.130 1.00 0.00 C ATOM 308 O SER A 23 10.236 0.915 -1.041 1.00 0.00 O ATOM 309 CB SER A 23 12.286 0.367 -3.317 1.00 0.00 C ATOM 310 OG SER A 23 13.175 -0.521 -3.974 1.00 0.00 O ATOM 0 HA SER A 23 13.422 0.563 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.260 0.146 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.492 1.392 -3.626 1.00 0.00 H new ATOM 0 HG SER A 23 13.286 -1.332 -3.435 1.00 0.00 H new ATOM 315 N VAL A 24 11.981 2.314 -0.693 1.00 0.00 N ATOM 316 CA VAL A 24 11.242 3.375 -0.016 1.00 0.00 C ATOM 317 C VAL A 24 10.967 4.529 -0.982 1.00 0.00 C ATOM 318 O VAL A 24 11.869 4.905 -1.731 1.00 0.00 O ATOM 319 CB VAL A 24 12.106 3.948 1.120 1.00 0.00 C ATOM 320 CG1 VAL A 24 11.416 5.112 1.818 1.00 0.00 C ATOM 321 CG2 VAL A 24 12.511 2.887 2.122 1.00 0.00 C ATOM 0 H VAL A 24 12.974 2.522 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 24 10.309 2.955 0.359 1.00 0.00 H new ATOM 0 HB VAL A 24 13.017 4.324 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.057 5.490 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.225 5.907 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.471 4.773 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.120 3.339 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.618 2.446 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.087 2.111 1.618 1.00 0.00 H new ATOM 331 N PHE A 25 9.747 5.094 -0.961 1.00 0.00 N ATOM 332 CA PHE A 25 9.458 6.321 -1.723 1.00 0.00 C ATOM 333 C PHE A 25 7.972 6.686 -1.657 1.00 0.00 C ATOM 334 O PHE A 25 7.171 5.843 -1.313 1.00 0.00 O ATOM 335 CB PHE A 25 9.854 6.134 -3.195 1.00 0.00 C ATOM 336 CG PHE A 25 10.117 7.413 -3.936 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.306 8.100 -3.756 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.180 7.919 -4.819 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.552 9.272 -4.443 1.00 0.00 C ATOM 340 CE2 PHE A 25 9.420 9.088 -5.509 1.00 0.00 C ATOM 341 CZ PHE A 25 10.608 9.766 -5.321 1.00 0.00 C ATOM 0 H PHE A 25 8.956 4.727 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 25 10.039 7.127 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.748 5.512 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.060 5.590 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.048 7.715 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.249 7.392 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.481 9.802 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.680 9.473 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.799 10.682 -5.860 1.00 0.00 H new ATOM 350 N ARG A 26 7.640 7.966 -1.937 1.00 0.00 N ATOM 351 CA ARG A 26 6.261 8.425 -2.274 1.00 0.00 C ATOM 352 C ARG A 26 5.223 8.268 -1.147 1.00 0.00 C ATOM 353 O ARG A 26 4.237 8.996 -1.127 1.00 0.00 O ATOM 354 CB ARG A 26 5.790 7.727 -3.582 1.00 0.00 C ATOM 355 CG ARG A 26 4.299 7.350 -3.681 1.00 0.00 C ATOM 356 CD ARG A 26 3.348 8.547 -3.750 1.00 0.00 C ATOM 357 NE ARG A 26 1.936 8.128 -3.645 1.00 0.00 N ATOM 358 CZ ARG A 26 1.374 7.604 -2.554 1.00 0.00 C ATOM 359 NH1 ARG A 26 2.042 7.559 -1.409 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.112 7.183 -2.604 1.00 0.00 N ATOM 0 H ARG A 26 8.324 8.722 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 26 6.327 9.503 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.029 8.382 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.378 6.818 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.151 6.732 -4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.033 6.739 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.582 9.244 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.501 9.080 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 26 1.346 8.248 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.992 7.927 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.606 7.157 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.418 7.262 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.325 6.781 -1.774 1.00 0.00 H new ATOM 707 N SER A 55 -18.047 -10.854 -3.610 1.00 0.00 N ATOM 708 CA SER A 55 -16.702 -10.361 -3.790 1.00 0.00 C ATOM 709 C SER A 55 -16.665 -8.862 -3.535 1.00 0.00 C ATOM 710 O SER A 55 -17.645 -8.158 -3.784 1.00 0.00 O ATOM 711 CB SER A 55 -16.226 -10.643 -5.217 1.00 0.00 C ATOM 712 OG SER A 55 -16.660 -11.914 -5.676 1.00 0.00 O ATOM 0 HA SER A 55 -16.044 -10.868 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.601 -9.868 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.138 -10.596 -5.253 1.00 0.00 H new ATOM 0 HG SER A 55 -16.141 -12.617 -5.232 1.00 0.00 H new ATOM 717 N ALA A 56 -15.547 -8.389 -3.023 1.00 0.00 N ATOM 718 CA ALA A 56 -15.301 -6.966 -2.875 1.00 0.00 C ATOM 719 C ALA A 56 -13.827 -6.717 -3.116 1.00 0.00 C ATOM 720 O ALA A 56 -13.031 -7.656 -3.029 1.00 0.00 O ATOM 721 CB ALA A 56 -15.719 -6.485 -1.498 1.00 0.00 C ATOM 0 H ALA A 56 -14.782 -8.979 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.893 -6.407 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.525 -5.416 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.783 -6.673 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.150 -7.020 -0.738 1.00 0.00 H new ATOM 727 N LEU A 57 -13.448 -5.489 -3.442 1.00 0.00 N ATOM 728 CA LEU A 57 -12.053 -5.205 -3.742 1.00 0.00 C ATOM 729 C LEU A 57 -11.641 -3.798 -3.352 1.00 0.00 C ATOM 730 O LEU A 57 -12.393 -2.835 -3.522 1.00 0.00 O ATOM 731 CB LEU A 57 -11.740 -5.402 -5.237 1.00 0.00 C ATOM 732 CG LEU A 57 -11.714 -6.847 -5.756 1.00 0.00 C ATOM 733 CD1 LEU A 57 -13.077 -7.262 -6.287 1.00 0.00 C ATOM 734 CD2 LEU A 57 -10.653 -7.003 -6.835 1.00 0.00 C ATOM 0 H LEU A 57 -14.075 -4.687 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.483 -5.917 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.479 -4.847 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.770 -4.950 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.464 -7.502 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.029 -8.289 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.815 -7.192 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.365 -6.603 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.647 -8.033 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.876 -6.332 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.675 -6.757 -6.422 1.00 0.00 H new ATOM 745 N LEU A 58 -10.441 -3.709 -2.800 1.00 0.00 N ATOM 746 CA LEU A 58 -9.711 -2.445 -2.750 1.00 0.00 C ATOM 747 C LEU A 58 -8.954 -2.300 -4.052 1.00 0.00 C ATOM 748 O LEU A 58 -8.336 -3.255 -4.498 1.00 0.00 O ATOM 749 CB LEU A 58 -8.668 -2.414 -1.629 1.00 0.00 C ATOM 750 CG LEU A 58 -9.139 -2.648 -0.207 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.483 -4.106 -0.002 1.00 0.00 C ATOM 752 CD2 LEU A 58 -8.042 -2.212 0.745 1.00 0.00 C ATOM 0 H LEU A 58 -9.948 -4.497 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.435 -1.649 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.911 -3.165 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.174 -1.443 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.039 -2.065 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.820 -4.260 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.277 -4.393 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.601 -4.718 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.366 -2.374 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.141 -2.794 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.829 -1.154 0.595 1.00 0.00 H new ATOM 763 N VAL A 59 -8.987 -1.134 -4.657 1.00 0.00 N ATOM 764 CA VAL A 59 -8.249 -0.920 -5.885 1.00 0.00 C ATOM 765 C VAL A 59 -7.321 0.289 -5.739 1.00 0.00 C ATOM 766 O VAL A 59 -7.743 1.363 -5.312 1.00 0.00 O ATOM 767 CB VAL A 59 -9.212 -0.724 -7.090 1.00 0.00 C ATOM 768 CG1 VAL A 59 -10.238 0.364 -6.804 1.00 0.00 C ATOM 769 CG2 VAL A 59 -8.444 -0.404 -8.365 1.00 0.00 C ATOM 0 H VAL A 59 -9.511 -0.325 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.646 -1.807 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.742 -1.665 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.897 0.478 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.827 0.088 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.725 1.307 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.145 -0.273 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.873 0.514 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.763 -1.224 -8.595 1.00 0.00 H new ATOM 779 N VAL A 60 -6.045 0.111 -6.066 1.00 0.00 N ATOM 780 CA VAL A 60 -5.096 1.198 -5.979 1.00 0.00 C ATOM 781 C VAL A 60 -5.369 2.174 -7.124 1.00 0.00 C ATOM 782 O VAL A 60 -5.211 1.843 -8.314 1.00 0.00 O ATOM 783 CB VAL A 60 -3.617 0.688 -5.953 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.568 -0.800 -5.688 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.864 0.995 -7.215 1.00 0.00 C ATOM 0 H VAL A 60 -5.653 -0.773 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.228 1.723 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.128 1.227 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.530 -1.133 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.030 -1.013 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.108 -1.328 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.846 0.615 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.361 0.519 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.838 2.074 -7.370 1.00 0.00 H new ATOM 795 N LYS A 61 -5.882 3.340 -6.715 1.00 0.00 N ATOM 796 CA LYS A 61 -6.213 4.449 -7.597 1.00 0.00 C ATOM 797 C LYS A 61 -4.981 4.880 -8.373 1.00 0.00 C ATOM 798 O LYS A 61 -4.951 4.826 -9.600 1.00 0.00 O ATOM 799 CB LYS A 61 -6.735 5.622 -6.759 1.00 0.00 C ATOM 800 CG LYS A 61 -7.060 6.863 -7.572 1.00 0.00 C ATOM 801 CD LYS A 61 -7.063 8.120 -6.712 1.00 0.00 C ATOM 802 CE LYS A 61 -8.444 8.467 -6.157 1.00 0.00 C ATOM 803 NZ LYS A 61 -8.976 7.442 -5.216 1.00 0.00 N ATOM 0 H LYS A 61 -6.081 3.537 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.981 4.134 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.631 5.304 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.990 5.878 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.330 6.973 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.035 6.743 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.368 7.987 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.695 8.958 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.391 9.428 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.142 8.586 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.809 7.823 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.248 6.590 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.243 7.196 -4.520 1.00 0.00 H new ATOM 813 N ARG A 62 -3.966 5.299 -7.635 1.00 0.00 N ATOM 814 CA ARG A 62 -2.700 5.682 -8.217 1.00 0.00 C ATOM 815 C ARG A 62 -1.644 5.743 -7.129 1.00 0.00 C ATOM 816 O ARG A 62 -1.932 6.053 -5.974 1.00 0.00 O ATOM 817 CB ARG A 62 -2.800 7.011 -8.953 1.00 0.00 C ATOM 818 CG ARG A 62 -1.656 7.201 -9.926 1.00 0.00 C ATOM 819 CD ARG A 62 -1.821 8.463 -10.750 1.00 0.00 C ATOM 820 NE ARG A 62 -2.948 8.360 -11.674 1.00 0.00 N ATOM 821 CZ ARG A 62 -3.444 9.384 -12.358 1.00 0.00 C ATOM 822 NH1 ARG A 62 -2.923 10.595 -12.218 1.00 0.00 N ATOM 823 NH2 ARG A 62 -4.461 9.200 -13.187 1.00 0.00 N ATOM 0 H ARG A 62 -4.001 5.381 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.415 4.931 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.747 7.058 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.803 7.827 -8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.716 7.246 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.597 6.339 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.971 9.314 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.906 8.654 -11.311 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.380 7.445 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.138 10.742 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.307 11.379 -12.745 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.864 8.270 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.840 9.988 -13.711 1.00 0.00 H new ATOM 834 N GLY A 63 -0.439 5.401 -7.506 1.00 0.00 N ATOM 835 CA GLY A 63 0.653 5.309 -6.585 1.00 0.00 C ATOM 836 C GLY A 63 1.613 4.301 -7.123 1.00 0.00 C ATOM 837 O GLY A 63 1.199 3.196 -7.405 1.00 0.00 O ATOM 0 H GLY A 63 -0.191 5.178 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.139 6.278 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.298 5.011 -5.598 1.00 0.00 H new ATOM 841 N PRO A 64 2.897 4.632 -7.196 1.00 0.00 N ATOM 842 CA PRO A 64 3.903 4.021 -8.032 1.00 0.00 C ATOM 843 C PRO A 64 3.468 2.887 -8.976 1.00 0.00 C ATOM 844 O PRO A 64 3.442 3.094 -10.191 1.00 0.00 O ATOM 845 CB PRO A 64 4.892 3.629 -6.962 1.00 0.00 C ATOM 846 CG PRO A 64 4.913 4.862 -6.106 1.00 0.00 C ATOM 847 CD PRO A 64 3.588 5.580 -6.342 1.00 0.00 C ATOM 0 HA PRO A 64 4.278 4.684 -8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.567 2.749 -6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.874 3.400 -7.376 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.030 4.601 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.754 5.503 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.049 5.764 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.725 6.546 -6.828 1.00 0.00 H new ATOM 852 N ASN A 65 3.140 1.710 -8.462 1.00 0.00 N ATOM 853 CA ASN A 65 2.658 0.629 -9.329 1.00 0.00 C ATOM 854 C ASN A 65 1.363 1.055 -9.977 1.00 0.00 C ATOM 855 O ASN A 65 1.212 1.036 -11.199 1.00 0.00 O ATOM 856 CB ASN A 65 2.394 -0.639 -8.530 1.00 0.00 C ATOM 857 CG ASN A 65 2.386 -1.896 -9.391 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.108 -1.991 -10.382 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.562 -2.869 -9.017 1.00 0.00 N ATOM 0 H ASN A 65 3.195 1.476 -7.471 1.00 0.00 H new ATOM 0 HA ASN A 65 3.424 0.426 -10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.156 -0.740 -7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.434 -0.548 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.513 -3.732 -9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.978 -2.753 -8.188 1.00 0.00 H new ATOM 865 N ALA A 66 0.471 1.492 -9.115 1.00 0.00 N ATOM 866 CA ALA A 66 -0.887 1.898 -9.473 1.00 0.00 C ATOM 867 C ALA A 66 -1.673 0.839 -10.263 1.00 0.00 C ATOM 868 O ALA A 66 -1.120 -0.143 -10.759 1.00 0.00 O ATOM 869 CB ALA A 66 -0.866 3.212 -10.240 1.00 0.00 C ATOM 0 H ALA A 66 0.667 1.580 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.415 2.024 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.885 3.499 -10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.417 3.988 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.281 3.092 -11.152 1.00 0.00 H new ATOM 875 N GLY A 67 -2.992 1.039 -10.341 1.00 0.00 N ATOM 876 CA GLY A 67 -3.818 0.203 -11.186 1.00 0.00 C ATOM 877 C GLY A 67 -4.207 -1.119 -10.549 1.00 0.00 C ATOM 878 O GLY A 67 -4.833 -1.956 -11.207 1.00 0.00 O ATOM 0 H GLY A 67 -3.496 1.765 -9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.724 0.750 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.286 0.005 -12.116 1.00 0.00 H new ATOM 882 N SER A 68 -3.845 -1.336 -9.290 1.00 0.00 N ATOM 883 CA SER A 68 -3.936 -2.687 -8.731 1.00 0.00 C ATOM 884 C SER A 68 -5.095 -2.823 -7.750 1.00 0.00 C ATOM 885 O SER A 68 -5.948 -1.953 -7.682 1.00 0.00 O ATOM 886 CB SER A 68 -2.614 -3.072 -8.084 1.00 0.00 C ATOM 887 OG SER A 68 -1.538 -2.918 -8.994 1.00 0.00 O ATOM 0 H SER A 68 -3.496 -0.622 -8.651 1.00 0.00 H new ATOM 0 HA SER A 68 -4.139 -3.378 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.442 -2.452 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.660 -4.106 -7.742 1.00 0.00 H new ATOM 0 HG SER A 68 -0.911 -3.663 -8.888 1.00 0.00 H new ATOM 892 N ARG A 69 -5.128 -3.923 -6.993 1.00 0.00 N ATOM 893 CA ARG A 69 -6.313 -4.277 -6.200 1.00 0.00 C ATOM 894 C ARG A 69 -6.051 -5.441 -5.248 1.00 0.00 C ATOM 895 O ARG A 69 -5.214 -6.294 -5.537 1.00 0.00 O ATOM 896 CB ARG A 69 -7.515 -4.660 -7.096 1.00 0.00 C ATOM 897 CG ARG A 69 -7.209 -4.995 -8.560 1.00 0.00 C ATOM 898 CD ARG A 69 -6.074 -6.000 -8.745 1.00 0.00 C ATOM 899 NE ARG A 69 -6.280 -7.256 -8.034 1.00 0.00 N ATOM 900 CZ ARG A 69 -6.581 -8.402 -8.644 1.00 0.00 C ATOM 901 NH1 ARG A 69 -6.846 -8.413 -9.947 1.00 0.00 N ATOM 902 NH2 ARG A 69 -6.635 -9.527 -7.954 1.00 0.00 N ATOM 0 H ARG A 69 -4.354 -4.582 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.547 -3.382 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.012 -5.520 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.228 -3.835 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.111 -5.391 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.955 -4.075 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.956 -6.210 -9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.142 -5.549 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.189 -7.258 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.819 -7.544 -10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.076 -9.291 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.446 -9.520 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.866 -10.403 -8.423 1.00 0.00 H new ATOM 913 N PHE A 70 -6.780 -5.482 -4.124 1.00 0.00 N ATOM 914 CA PHE A 70 -6.831 -6.681 -3.303 1.00 0.00 C ATOM 915 C PHE A 70 -8.101 -7.415 -3.688 1.00 0.00 C ATOM 916 O PHE A 70 -9.193 -6.861 -3.527 1.00 0.00 O ATOM 917 CB PHE A 70 -6.927 -6.427 -1.772 1.00 0.00 C ATOM 918 CG PHE A 70 -6.066 -5.356 -1.158 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.548 -4.317 -1.893 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.806 -5.399 0.201 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.784 -3.347 -1.295 1.00 0.00 C ATOM 922 CE2 PHE A 70 -5.047 -4.425 0.811 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.532 -3.397 0.060 1.00 0.00 C ATOM 0 H PHE A 70 -7.335 -4.702 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.902 -7.223 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.965 -6.188 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.697 -7.365 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.745 -4.263 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.205 -6.210 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.378 -2.541 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.858 -4.469 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.932 -2.631 0.529 1.00 0.00 H new ATOM 932 N LEU A 71 -7.987 -8.628 -4.203 1.00 0.00 N ATOM 933 CA LEU A 71 -9.161 -9.421 -4.474 1.00 0.00 C ATOM 934 C LEU A 71 -9.577 -10.106 -3.198 1.00 0.00 C ATOM 935 O LEU A 71 -8.904 -11.005 -2.711 1.00 0.00 O ATOM 936 CB LEU A 71 -8.897 -10.433 -5.596 1.00 0.00 C ATOM 937 CG LEU A 71 -9.875 -11.602 -5.682 1.00 0.00 C ATOM 938 CD1 LEU A 71 -10.152 -11.952 -7.134 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.322 -12.818 -4.943 1.00 0.00 C ATOM 0 H LEU A 71 -7.101 -9.076 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.970 -8.778 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.910 -9.903 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.892 -10.834 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.810 -11.304 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.851 -12.787 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.584 -11.089 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.220 -12.231 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.032 -13.642 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.374 -13.116 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.164 -12.566 -3.894 1.00 0.00 H new ATOM 950 N LEU A 72 -10.652 -9.645 -2.612 1.00 0.00 N ATOM 951 CA LEU A 72 -11.133 -10.282 -1.410 1.00 0.00 C ATOM 952 C LEU A 72 -12.252 -11.245 -1.761 1.00 0.00 C ATOM 953 O LEU A 72 -13.160 -11.485 -0.969 1.00 0.00 O ATOM 954 CB LEU A 72 -11.619 -9.268 -0.367 1.00 0.00 C ATOM 955 CG LEU A 72 -10.681 -8.101 -0.064 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.238 -8.524 -0.173 1.00 0.00 C ATOM 957 CD2 LEU A 72 -10.953 -6.936 -0.984 1.00 0.00 C ATOM 0 H LEU A 72 -11.201 -8.849 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.298 -10.824 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.572 -8.861 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.812 -9.801 0.564 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.871 -7.784 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.592 -7.674 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.039 -9.325 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.038 -8.879 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.272 -6.119 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.802 -7.246 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.982 -6.601 -0.852 1.00 0.00 H new ATOM 968 N ASP A 73 -12.198 -11.762 -2.982 1.00 0.00 N ATOM 969 CA ASP A 73 -13.116 -12.810 -3.404 1.00 0.00 C ATOM 970 C ASP A 73 -12.803 -14.079 -2.628 1.00 0.00 C ATOM 971 O ASP A 73 -13.673 -14.913 -2.384 1.00 0.00 O ATOM 972 CB ASP A 73 -12.995 -13.054 -4.912 1.00 0.00 C ATOM 973 CG ASP A 73 -13.864 -14.198 -5.392 1.00 0.00 C ATOM 974 OD1 ASP A 73 -15.082 -13.996 -5.559 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.327 -15.303 -5.609 1.00 0.00 O ATOM 0 H ASP A 73 -11.529 -11.473 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.141 -12.503 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.271 -12.145 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.955 -13.265 -5.159 1.00 0.00 H new ATOM 979 N GLN A 74 -11.543 -14.204 -2.237 1.00 0.00 N ATOM 980 CA GLN A 74 -11.131 -15.260 -1.329 1.00 0.00 C ATOM 981 C GLN A 74 -11.091 -14.699 0.085 1.00 0.00 C ATOM 982 O GLN A 74 -11.087 -13.484 0.278 1.00 0.00 O ATOM 983 CB GLN A 74 -9.765 -15.820 -1.732 1.00 0.00 C ATOM 984 CG GLN A 74 -8.688 -14.769 -1.873 1.00 0.00 C ATOM 985 CD GLN A 74 -7.330 -15.368 -2.170 1.00 0.00 C ATOM 986 OE1 GLN A 74 -6.985 -15.602 -3.328 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.541 -15.595 -1.133 1.00 0.00 N ATOM 0 H GLN A 74 -10.789 -13.586 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.846 -16.081 -1.375 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.450 -16.551 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.866 -16.351 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.960 -14.079 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.631 -14.186 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.867 -15.387 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.607 -15.978 -1.277 1.00 0.00 H new ATOM 994 N ALA A 75 -11.053 -15.596 1.063 1.00 0.00 N ATOM 995 CA ALA A 75 -11.264 -15.238 2.464 1.00 0.00 C ATOM 996 C ALA A 75 -10.192 -14.302 3.005 1.00 0.00 C ATOM 997 O ALA A 75 -10.385 -13.684 4.054 1.00 0.00 O ATOM 998 CB ALA A 75 -11.333 -16.495 3.314 1.00 0.00 C ATOM 0 H ALA A 75 -10.876 -16.589 0.910 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.210 -14.699 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.490 -16.221 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.160 -17.119 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.399 -17.049 3.221 1.00 0.00 H new ATOM 1004 N ILE A 76 -9.066 -14.210 2.306 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.973 -13.348 2.736 1.00 0.00 C ATOM 1006 C ILE A 76 -6.856 -13.301 1.694 1.00 0.00 C ATOM 1007 O ILE A 76 -6.362 -14.337 1.250 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.436 -13.801 4.129 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.224 -12.961 4.591 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -7.089 -15.290 4.126 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.877 -13.458 4.090 1.00 0.00 C ATOM 0 H ILE A 76 -8.887 -14.721 1.441 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.360 -12.334 2.836 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.239 -13.632 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.364 -11.933 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.207 -12.942 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.717 -15.579 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.981 -15.871 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.321 -15.483 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.087 -12.807 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.709 -14.474 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.868 -13.449 3.000 1.00 0.00 H new ATOM 1022 N THR A 77 -6.482 -12.088 1.293 1.00 0.00 N ATOM 1023 CA THR A 77 -5.393 -11.884 0.344 1.00 0.00 C ATOM 1024 C THR A 77 -4.257 -11.052 0.948 1.00 0.00 C ATOM 1025 O THR A 77 -4.495 -10.005 1.552 1.00 0.00 O ATOM 1026 CB THR A 77 -5.884 -11.173 -0.920 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.971 -10.309 -0.602 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.308 -12.171 -1.971 1.00 0.00 C ATOM 0 H THR A 77 -6.922 -11.226 1.614 1.00 0.00 H new ATOM 0 HA THR A 77 -5.020 -12.877 0.093 1.00 0.00 H new ATOM 0 HB THR A 77 -5.061 -10.582 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.732 -10.512 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.653 -11.640 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.461 -12.805 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.117 -12.789 -1.581 1.00 0.00 H new ATOM 1036 N SER A 78 -3.030 -11.527 0.783 1.00 0.00 N ATOM 1037 CA SER A 78 -1.838 -10.770 1.162 1.00 0.00 C ATOM 1038 C SER A 78 -1.617 -9.601 0.192 1.00 0.00 C ATOM 1039 O SER A 78 -1.610 -9.796 -1.030 1.00 0.00 O ATOM 1040 CB SER A 78 -0.636 -11.707 1.162 1.00 0.00 C ATOM 1041 OG SER A 78 -0.803 -12.735 2.120 1.00 0.00 O ATOM 0 H SER A 78 -2.830 -12.444 0.384 1.00 0.00 H new ATOM 0 HA SER A 78 -1.970 -10.354 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.509 -12.143 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.271 -11.143 1.381 1.00 0.00 H new ATOM 0 HG SER A 78 -0.465 -13.580 1.756 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.426 -8.397 0.748 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.292 -7.171 -0.042 1.00 0.00 C ATOM 1048 C ALA A 79 0.077 -6.518 0.107 1.00 0.00 C ATOM 1049 O ALA A 79 0.473 -6.156 1.216 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.353 -6.181 0.391 1.00 0.00 C ATOM 0 H ALA A 79 -1.361 -8.248 1.755 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.412 -7.449 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.258 -5.266 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.341 -6.613 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.225 -5.950 1.449 1.00 0.00 H new ATOM 1056 N GLY A 80 0.792 -6.353 -1.004 1.00 0.00 N ATOM 1057 CA GLY A 80 2.053 -5.650 -0.976 1.00 0.00 C ATOM 1058 C GLY A 80 3.034 -6.198 -1.980 1.00 0.00 C ATOM 1059 O GLY A 80 2.717 -6.346 -3.153 1.00 0.00 O ATOM 0 H GLY A 80 0.515 -6.697 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.882 -4.593 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.483 -5.718 0.023 1.00 0.00 H new ATOM 1063 N ARG A 81 4.217 -6.512 -1.505 1.00 0.00 N ATOM 1064 CA ARG A 81 5.245 -7.105 -2.325 1.00 0.00 C ATOM 1065 C ARG A 81 5.056 -8.611 -2.340 1.00 0.00 C ATOM 1066 O ARG A 81 5.381 -9.298 -1.374 1.00 0.00 O ATOM 1067 CB ARG A 81 6.610 -6.712 -1.755 1.00 0.00 C ATOM 1068 CG ARG A 81 7.766 -7.564 -2.252 1.00 0.00 C ATOM 1069 CD ARG A 81 8.356 -8.440 -1.155 1.00 0.00 C ATOM 1070 NE ARG A 81 9.548 -7.833 -0.555 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.763 -8.392 -0.601 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.933 -9.554 -1.224 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.807 -7.780 -0.045 1.00 0.00 N ATOM 0 H ARG A 81 4.493 -6.362 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 81 5.185 -6.747 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.809 -5.670 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.568 -6.776 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.422 -8.195 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.545 -6.916 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.606 -8.609 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.614 -9.415 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 81 9.446 -6.938 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.139 -10.017 -1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.858 -9.982 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.683 -6.880 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.731 -8.211 -0.083 1.00 0.00 H new ATOM 1084 N HIS A 82 4.513 -9.135 -3.421 1.00 0.00 N ATOM 1085 CA HIS A 82 4.129 -10.527 -3.422 1.00 0.00 C ATOM 1086 C HIS A 82 4.493 -11.233 -4.710 1.00 0.00 C ATOM 1087 O HIS A 82 4.096 -10.813 -5.799 1.00 0.00 O ATOM 1088 CB HIS A 82 2.629 -10.672 -3.194 1.00 0.00 C ATOM 1089 CG HIS A 82 2.228 -10.310 -1.821 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.337 -9.414 -1.382 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.766 -10.902 -0.706 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.343 -9.472 -0.017 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.213 -10.381 0.363 1.00 0.00 N flip ATOM 0 H HIS A 82 4.332 -8.630 -4.289 1.00 0.00 H new ATOM 0 HA HIS A 82 4.684 -10.994 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.094 -10.040 -3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.332 -11.701 -3.396 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.760 -8.802 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.523 -11.673 -0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.734 -8.870 0.641 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.079 -12.117 -4.311 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.121 -11.544 -5.160 1.00 0.00 C ATOM 1135 C ASP A 86 -2.841 -10.070 -5.380 1.00 0.00 C ATOM 1136 O ASP A 86 -2.635 -9.622 -6.506 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.519 -11.715 -4.554 1.00 0.00 C ATOM 1138 CG ASP A 86 -5.600 -11.212 -5.483 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -5.914 -10.001 -5.436 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -6.142 -12.024 -6.263 1.00 0.00 O ATOM 0 HA ASP A 86 -3.105 -12.079 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.692 -12.768 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.573 -11.176 -3.608 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.800 -9.327 -4.287 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.513 -7.907 -4.356 1.00 0.00 C ATOM 1146 C ILE A 87 -1.004 -7.660 -4.240 1.00 0.00 C ATOM 1147 O ILE A 87 -0.438 -7.578 -3.145 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.333 -7.104 -3.302 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.669 -5.772 -2.941 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.610 -7.929 -2.061 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.714 -4.753 -4.050 1.00 0.00 C ATOM 0 H ILE A 87 -2.961 -9.683 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.830 -7.538 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.290 -6.870 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.159 -5.359 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.629 -5.956 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.184 -7.335 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.179 -8.817 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.666 -8.229 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.225 -3.836 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.198 -5.146 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.752 -4.539 -4.306 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.353 -7.615 -5.396 1.00 0.00 N ATOM 1163 CA PHE A 88 1.051 -7.240 -5.485 1.00 0.00 C ATOM 1164 C PHE A 88 1.187 -5.829 -6.025 1.00 0.00 C ATOM 1165 O PHE A 88 0.685 -5.508 -7.099 1.00 0.00 O ATOM 1166 CB PHE A 88 1.857 -8.202 -6.372 1.00 0.00 C ATOM 1167 CG PHE A 88 1.044 -9.037 -7.327 1.00 0.00 C ATOM 1168 CD1 PHE A 88 0.232 -8.447 -8.284 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.108 -10.421 -7.271 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.503 -9.219 -9.161 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.374 -11.198 -8.147 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.434 -10.596 -9.090 1.00 0.00 C ATOM 0 H PHE A 88 -0.782 -7.837 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 88 1.457 -7.294 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.578 -7.621 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.428 -8.870 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.174 -7.370 -8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.738 -10.897 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.131 -8.746 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.433 -12.275 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.012 -11.202 -9.772 1.00 0.00 H new ATOM 1181 N LEU A 89 1.859 -4.986 -5.270 1.00 0.00 N ATOM 1182 CA LEU A 89 2.105 -3.628 -5.689 1.00 0.00 C ATOM 1183 C LEU A 89 3.573 -3.424 -6.001 1.00 0.00 C ATOM 1184 O LEU A 89 4.358 -3.040 -5.129 1.00 0.00 O ATOM 1185 CB LEU A 89 1.629 -2.641 -4.629 1.00 0.00 C ATOM 1186 CG LEU A 89 0.119 -2.489 -4.556 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.265 -1.297 -3.712 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.454 -2.354 -5.946 1.00 0.00 C ATOM 0 H LEU A 89 2.246 -5.223 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 89 1.537 -3.442 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.998 -2.964 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.072 -1.666 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.294 -3.382 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.351 -1.211 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.122 -1.427 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.156 -0.391 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.537 -2.246 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.028 -1.476 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.211 -3.243 -6.528 1.00 0.00 H new ATOM 1199 N ASP A 90 3.929 -3.743 -7.246 1.00 0.00 N ATOM 1200 CA ASP A 90 5.283 -3.563 -7.781 1.00 0.00 C ATOM 1201 C ASP A 90 6.247 -4.608 -7.225 1.00 0.00 C ATOM 1202 O ASP A 90 7.239 -4.967 -7.859 1.00 0.00 O ATOM 1203 CB ASP A 90 5.787 -2.142 -7.507 1.00 0.00 C ATOM 1204 CG ASP A 90 7.113 -1.843 -8.170 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.215 -1.998 -9.405 1.00 0.00 O ATOM 1206 OD2 ASP A 90 8.040 -1.409 -7.461 1.00 0.00 O ATOM 0 H ASP A 90 3.277 -4.140 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 90 5.239 -3.706 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.043 -1.426 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.886 -1.999 -6.431 1.00 0.00 H new ATOM 1210 N ASP A 91 5.912 -5.098 -6.036 1.00 0.00 N ATOM 1211 CA ASP A 91 6.630 -6.190 -5.382 1.00 0.00 C ATOM 1212 C ASP A 91 8.068 -5.775 -5.070 1.00 0.00 C ATOM 1213 O ASP A 91 8.983 -6.585 -4.967 1.00 0.00 O ATOM 1214 CB ASP A 91 6.538 -7.460 -6.259 1.00 0.00 C ATOM 1215 CG ASP A 91 7.423 -8.619 -5.819 1.00 0.00 C ATOM 1216 OD1 ASP A 91 7.203 -9.171 -4.724 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.343 -8.987 -6.588 1.00 0.00 O ATOM 0 H ASP A 91 5.125 -4.745 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 91 6.169 -6.423 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.502 -7.799 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.798 -7.194 -7.284 1.00 0.00 H new ATOM 1221 N VAL A 92 8.242 -4.486 -4.877 1.00 0.00 N ATOM 1222 CA VAL A 92 9.554 -3.921 -4.627 1.00 0.00 C ATOM 1223 C VAL A 92 9.504 -2.902 -3.483 1.00 0.00 C ATOM 1224 O VAL A 92 10.531 -2.511 -2.937 1.00 0.00 O ATOM 1225 CB VAL A 92 10.067 -3.245 -5.915 1.00 0.00 C ATOM 1226 CG1 VAL A 92 11.297 -2.381 -5.659 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.375 -4.283 -6.985 1.00 0.00 C ATOM 0 H VAL A 92 7.485 -3.802 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 92 10.233 -4.722 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 92 9.269 -2.592 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.623 -1.925 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 92 11.049 -1.599 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 92 12.100 -3.000 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.735 -3.783 -7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.141 -4.967 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.470 -4.843 -7.219 1.00 0.00 H new ATOM 1237 N THR A 93 8.303 -2.503 -3.093 1.00 0.00 N ATOM 1238 CA THR A 93 8.148 -1.397 -2.155 1.00 0.00 C ATOM 1239 C THR A 93 7.688 -1.870 -0.771 1.00 0.00 C ATOM 1240 O THR A 93 8.004 -1.252 0.239 1.00 0.00 O ATOM 1241 CB THR A 93 7.116 -0.373 -2.684 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.805 -0.761 -2.280 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.132 -0.289 -4.206 1.00 0.00 C ATOM 0 H THR A 93 7.428 -2.923 -3.407 1.00 0.00 H new ATOM 0 HA THR A 93 9.131 -0.935 -2.061 1.00 0.00 H new ATOM 0 HB THR A 93 7.384 0.600 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.163 -0.526 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.393 0.441 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.122 0.018 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.892 -1.265 -4.627 1.00 0.00 H new ATOM 1251 N VAL A 94 6.938 -2.963 -0.723 1.00 0.00 N ATOM 1252 CA VAL A 94 6.272 -3.373 0.513 1.00 0.00 C ATOM 1253 C VAL A 94 7.009 -4.534 1.168 1.00 0.00 C ATOM 1254 O VAL A 94 7.640 -5.321 0.479 1.00 0.00 O ATOM 1255 CB VAL A 94 4.814 -3.804 0.239 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.012 -3.849 1.527 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.155 -2.882 -0.777 1.00 0.00 C ATOM 0 H VAL A 94 6.774 -3.580 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 94 6.277 -2.513 1.183 1.00 0.00 H new ATOM 0 HB VAL A 94 4.835 -4.809 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.989 -4.155 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.466 -4.564 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.005 -2.860 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.130 -3.207 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.152 -1.862 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.711 -2.916 -1.714 1.00 0.00 H new ATOM 1267 N SER A 95 6.914 -4.638 2.495 1.00 0.00 N ATOM 1268 CA SER A 95 7.532 -5.733 3.247 1.00 0.00 C ATOM 1269 C SER A 95 6.737 -7.016 3.050 1.00 0.00 C ATOM 1270 O SER A 95 6.104 -7.515 3.983 1.00 0.00 O ATOM 1271 CB SER A 95 7.588 -5.376 4.730 1.00 0.00 C ATOM 1272 OG SER A 95 8.189 -4.112 4.916 1.00 0.00 O ATOM 0 H SER A 95 6.409 -3.969 3.077 1.00 0.00 H new ATOM 0 HA SER A 95 8.546 -5.888 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.581 -5.370 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.152 -6.136 5.271 1.00 0.00 H new ATOM 0 HG SER A 95 8.215 -3.899 5.872 1.00 0.00 H new ATOM 1277 N ARG A 96 6.802 -7.544 1.830 1.00 0.00 N ATOM 1278 CA ARG A 96 5.904 -8.595 1.359 1.00 0.00 C ATOM 1279 C ARG A 96 4.437 -8.163 1.486 1.00 0.00 C ATOM 1280 O ARG A 96 3.750 -8.025 0.495 1.00 0.00 O ATOM 1281 CB ARG A 96 6.172 -9.932 2.056 1.00 0.00 C ATOM 1282 CG ARG A 96 5.339 -11.087 1.501 1.00 0.00 C ATOM 1283 CD ARG A 96 4.403 -11.641 2.559 1.00 0.00 C ATOM 1284 NE ARG A 96 4.345 -10.739 3.680 1.00 0.00 N ATOM 1285 CZ ARG A 96 4.626 -11.096 4.936 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.810 -12.376 5.230 1.00 0.00 N ATOM 1287 NH2 ARG A 96 4.708 -10.178 5.894 1.00 0.00 N ATOM 0 H ARG A 96 7.487 -7.251 1.133 1.00 0.00 H new ATOM 0 HA ARG A 96 6.108 -8.753 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.229 -10.178 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.966 -9.825 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.761 -10.744 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.999 -11.878 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.406 -11.779 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.749 -12.621 2.887 1.00 0.00 H new ATOM 0 HE ARG A 96 4.074 -9.772 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.737 -13.083 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.025 -12.654 6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.556 -9.194 5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.923 -10.458 6.851 1.00 0.00 H new ATOM 1298 N ARG A 97 3.951 -7.919 2.682 1.00 0.00 N ATOM 1299 CA ARG A 97 2.587 -7.432 2.834 1.00 0.00 C ATOM 1300 C ARG A 97 2.529 -6.266 3.807 1.00 0.00 C ATOM 1301 O ARG A 97 3.224 -6.239 4.818 1.00 0.00 O ATOM 1302 CB ARG A 97 1.632 -8.551 3.301 1.00 0.00 C ATOM 1303 CG ARG A 97 1.930 -9.071 4.699 1.00 0.00 C ATOM 1304 CD ARG A 97 0.831 -9.977 5.243 1.00 0.00 C ATOM 1305 NE ARG A 97 0.719 -11.249 4.525 1.00 0.00 N ATOM 1306 CZ ARG A 97 0.799 -12.447 5.118 1.00 0.00 C ATOM 1307 NH1 ARG A 97 1.164 -12.547 6.392 1.00 0.00 N ATOM 1308 NH2 ARG A 97 0.542 -13.548 4.422 1.00 0.00 N ATOM 0 H ARG A 97 4.465 -8.045 3.554 1.00 0.00 H new ATOM 0 HA ARG A 97 2.259 -7.090 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.609 -8.177 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.687 -9.380 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.872 -9.620 4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.064 -8.226 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.024 -10.179 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.123 -9.452 5.189 1.00 0.00 H new ATOM 0 HE ARG A 97 0.572 -11.221 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.386 -11.707 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.222 -13.464 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.284 -13.480 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.602 -14.461 4.872 1.00 0.00 H new ATOM 1319 N HIS A 98 1.719 -5.287 3.446 1.00 0.00 N ATOM 1320 CA HIS A 98 1.339 -4.217 4.357 1.00 0.00 C ATOM 1321 C HIS A 98 0.197 -4.715 5.173 1.00 0.00 C ATOM 1322 O HIS A 98 0.122 -4.515 6.379 1.00 0.00 O ATOM 1323 CB HIS A 98 0.935 -2.951 3.562 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.447 -2.407 3.867 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -0.680 -1.462 4.836 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.673 -2.683 3.320 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -1.969 -1.180 4.875 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.589 -1.900 3.966 1.00 0.00 N ATOM 0 H HIS A 98 1.306 -5.209 2.517 1.00 0.00 H new ATOM 0 HA HIS A 98 2.174 -3.943 5.001 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.667 -2.168 3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.991 -3.177 2.497 1.00 0.00 H new ATOM 0 HD1 HIS A 98 0.033 -1.043 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.877 -3.387 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.438 -0.474 5.544 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.698 -5.350 4.470 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.833 -5.941 5.071 1.00 0.00 C ATOM 1338 C ALA A 99 -2.231 -7.173 4.327 1.00 0.00 C ATOM 1339 O ALA A 99 -1.782 -7.416 3.210 1.00 0.00 O ATOM 1340 CB ALA A 99 -2.980 -4.962 5.105 1.00 0.00 C ATOM 0 H ALA A 99 -0.649 -5.466 3.458 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.578 -6.216 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.846 -5.432 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.691 -4.083 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.233 -4.662 4.088 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.026 -7.955 4.979 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.748 -9.021 4.341 1.00 0.00 C ATOM 1348 C GLU A 100 -5.211 -8.766 4.615 1.00 0.00 C ATOM 1349 O GLU A 100 -5.615 -8.607 5.773 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.276 -10.378 4.881 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.259 -10.444 6.403 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.929 -11.821 6.933 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -1.735 -12.130 7.101 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -3.867 -12.598 7.199 1.00 0.00 O ATOM 0 H GLU A 100 -3.199 -7.876 5.981 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.573 -9.050 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.929 -11.162 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.274 -10.584 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.529 -9.730 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.233 -10.138 6.785 1.00 0.00 H new ATOM 1359 N PHE A 101 -5.989 -8.641 3.559 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.370 -8.266 3.716 1.00 0.00 C ATOM 1361 C PHE A 101 -8.158 -9.475 4.125 1.00 0.00 C ATOM 1362 O PHE A 101 -8.624 -10.250 3.291 1.00 0.00 O ATOM 1363 CB PHE A 101 -7.941 -7.637 2.453 1.00 0.00 C ATOM 1364 CG PHE A 101 -8.648 -6.348 2.720 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -7.930 -5.204 3.006 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -10.022 -6.281 2.705 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -8.575 -4.017 3.273 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.673 -5.095 2.973 1.00 0.00 C ATOM 1369 CZ PHE A 101 -9.949 -3.961 3.257 1.00 0.00 C ATOM 0 H PHE A 101 -5.689 -8.792 2.596 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.439 -7.504 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.134 -7.463 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.634 -8.336 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.851 -5.240 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.597 -7.167 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.001 -3.129 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -11.752 -5.057 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 101 -10.457 -3.031 3.466 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.286 -9.644 5.424 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.892 -10.838 5.946 1.00 0.00 C ATOM 1380 C ARG A 102 -10.376 -10.635 6.161 1.00 0.00 C ATOM 1381 O ARG A 102 -10.805 -9.624 6.727 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.214 -11.262 7.242 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.046 -10.134 8.243 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.382 -10.632 9.508 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.158 -11.371 9.220 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.565 -12.182 10.094 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.043 -12.300 11.325 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.490 -12.870 9.735 1.00 0.00 N ATOM 0 H ARG A 102 -7.980 -8.973 6.128 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.760 -11.635 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.797 -12.060 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.234 -11.678 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.447 -9.337 7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.020 -9.706 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.152 -9.786 10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.074 -11.273 10.054 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.733 -11.261 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.867 -11.769 11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.586 -12.922 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.118 -12.778 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.035 -13.491 10.404 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.157 -11.581 5.684 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.583 -11.546 5.888 1.00 0.00 C ATOM 1401 C LEU A 103 -12.929 -12.281 7.174 1.00 0.00 C ATOM 1402 O LEU A 103 -12.876 -13.511 7.242 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.313 -12.158 4.680 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.845 -11.990 4.660 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -15.404 -12.367 3.307 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.511 -12.832 5.721 1.00 0.00 C ATOM 0 H LEU A 103 -10.824 -12.384 5.151 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.912 -10.511 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.907 -11.713 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.084 -13.223 4.643 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.055 -10.940 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.487 -12.242 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.969 -11.725 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.160 -13.407 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.590 -12.687 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.278 -13.883 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.146 -12.535 6.704 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.261 -11.512 8.189 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.754 -12.046 9.442 1.00 0.00 C ATOM 1419 C GLU A 104 -15.036 -11.315 9.777 1.00 0.00 C ATOM 1420 O GLU A 104 -15.123 -10.122 9.543 1.00 0.00 O ATOM 1421 CB GLU A 104 -12.727 -11.858 10.560 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.422 -12.602 10.325 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.552 -14.104 10.487 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -12.089 -14.553 11.522 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -11.109 -14.848 9.587 1.00 0.00 O ATOM 0 H GLU A 104 -13.196 -10.494 8.169 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.935 -13.117 9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.514 -10.795 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.162 -12.195 11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.062 -12.381 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.670 -12.232 11.022 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.029 -12.029 10.292 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.345 -11.441 10.591 1.00 0.00 C ATOM 1432 C ASN A 105 -18.011 -10.946 9.311 1.00 0.00 C ATOM 1433 O ASN A 105 -18.754 -9.962 9.331 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.232 -10.261 11.567 1.00 0.00 C ATOM 1435 CG ASN A 105 -16.454 -10.579 12.822 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -16.460 -11.709 13.313 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -15.767 -9.577 13.342 1.00 0.00 N ATOM 0 H ASN A 105 -15.955 -13.022 10.515 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.946 -12.226 11.051 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.754 -9.424 11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.234 -9.935 11.845 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.211 -9.723 14.185 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.792 -8.658 12.900 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.724 -11.633 8.205 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.294 -11.309 6.887 1.00 0.00 C ATOM 1445 C ASN A 106 -17.758 -9.983 6.347 1.00 0.00 C ATOM 1446 O ASN A 106 -18.228 -9.491 5.320 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.826 -11.236 6.927 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.486 -12.487 7.470 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -19.963 -13.592 7.345 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -21.655 -12.316 8.070 1.00 0.00 N ATOM 0 H ASN A 106 -17.090 -12.432 8.192 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.990 -12.119 6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.124 -10.385 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.198 -11.049 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -22.156 -13.119 8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.054 -11.381 8.153 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.780 -9.405 7.027 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.235 -8.129 6.619 1.00 0.00 C ATOM 1458 C GLU A 107 -14.764 -8.273 6.253 1.00 0.00 C ATOM 1459 O GLU A 107 -13.993 -8.919 6.965 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.429 -7.077 7.727 1.00 0.00 C ATOM 1461 CG GLU A 107 -15.842 -7.460 9.075 1.00 0.00 C ATOM 1462 CD GLU A 107 -15.956 -6.364 10.114 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -17.063 -5.823 10.301 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -14.931 -6.042 10.755 1.00 0.00 O ATOM 0 H GLU A 107 -16.351 -9.802 7.863 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.773 -7.788 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.977 -6.140 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -17.496 -6.891 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.348 -8.353 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -14.791 -7.719 8.945 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.391 -7.695 5.123 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.011 -7.713 4.677 1.00 0.00 C ATOM 1471 C PHE A 108 -12.291 -6.544 5.334 1.00 0.00 C ATOM 1472 O PHE A 108 -12.860 -5.460 5.453 1.00 0.00 O ATOM 1473 CB PHE A 108 -12.921 -7.605 3.142 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.085 -8.212 2.403 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -15.286 -7.530 2.295 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -13.968 -9.451 1.801 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -16.351 -8.075 1.604 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -15.029 -10.001 1.109 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.221 -9.313 1.010 1.00 0.00 C ATOM 0 H PHE A 108 -15.030 -7.206 4.496 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.545 -8.656 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.842 -6.553 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.003 -8.090 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.391 -6.560 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -13.037 -9.994 1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.282 -7.533 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -14.926 -10.971 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.051 -9.743 0.468 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.054 -6.749 5.763 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.350 -5.722 6.539 1.00 0.00 C ATOM 1490 C ASN A 109 -8.873 -5.701 6.214 1.00 0.00 C ATOM 1491 O ASN A 109 -8.319 -6.714 5.812 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.486 -5.985 8.042 1.00 0.00 C ATOM 1493 CG ASN A 109 -11.885 -5.795 8.573 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.236 -4.719 9.041 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.690 -6.841 8.514 1.00 0.00 N ATOM 0 H ASN A 109 -10.519 -7.601 5.594 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.804 -4.767 6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.164 -7.005 8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.811 -5.320 8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.645 -6.770 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.357 -7.719 8.116 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.216 -4.571 6.462 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.781 -4.487 6.238 1.00 0.00 C ATOM 1503 C VAL A 110 -6.040 -4.591 7.546 1.00 0.00 C ATOM 1504 O VAL A 110 -6.195 -3.765 8.440 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.341 -3.196 5.480 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.387 -2.106 5.534 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -5.029 -2.634 6.007 1.00 0.00 C ATOM 0 H VAL A 110 -8.648 -3.716 6.812 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.526 -5.328 5.594 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.208 -3.510 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.029 -1.231 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.310 -2.464 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.577 -1.836 6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.766 -1.737 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.138 -2.384 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.241 -3.378 5.890 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.224 -5.622 7.624 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.432 -5.888 8.808 1.00 0.00 C ATOM 1519 C VAL A 111 -3.020 -5.395 8.600 1.00 0.00 C ATOM 1520 O VAL A 111 -2.291 -5.921 7.762 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.394 -7.398 9.139 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.066 -7.784 9.792 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -5.558 -7.765 10.045 1.00 0.00 C ATOM 0 H VAL A 111 -5.091 -6.297 6.871 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.897 -5.363 9.642 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.484 -7.955 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.066 -8.851 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.246 -7.555 9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.938 -7.221 10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.521 -8.831 10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.492 -7.195 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.497 -7.533 9.543 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.643 -4.384 9.355 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.299 -3.850 9.240 1.00 0.00 C ATOM 1535 C ASP A 112 -0.307 -4.797 9.897 1.00 0.00 C ATOM 1536 O ASP A 112 -0.491 -5.215 11.043 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.159 -2.466 9.866 1.00 0.00 C ATOM 1538 CG ASP A 112 0.293 -2.020 9.868 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.953 -2.126 8.808 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.792 -1.601 10.932 1.00 0.00 O ATOM 0 H ASP A 112 -3.235 -3.921 10.044 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.088 -3.753 8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.764 -1.748 9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.540 -2.483 10.887 1.00 0.00 H new ATOM 1544 N VAL A 113 0.742 -5.123 9.172 1.00 0.00 N ATOM 1545 CA VAL A 113 1.768 -6.016 9.663 1.00 0.00 C ATOM 1546 C VAL A 113 3.116 -5.389 9.391 1.00 0.00 C ATOM 1547 O VAL A 113 4.149 -6.062 9.358 1.00 0.00 O ATOM 1548 CB VAL A 113 1.690 -7.406 8.996 1.00 0.00 C ATOM 1549 CG1 VAL A 113 0.424 -8.140 9.413 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.745 -7.268 7.490 1.00 0.00 C ATOM 0 H VAL A 113 0.907 -4.777 8.227 1.00 0.00 H new ATOM 0 HA VAL A 113 1.620 -6.164 10.733 1.00 0.00 H new ATOM 0 HB VAL A 113 2.547 -7.992 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.393 -9.116 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.419 -8.271 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.449 -7.559 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.689 -8.255 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.906 -6.662 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.680 -6.787 7.203 1.00 0.00 H new ATOM 1560 N GLY A 114 3.085 -4.082 9.171 1.00 0.00 N ATOM 1561 CA GLY A 114 4.291 -3.352 8.909 1.00 0.00 C ATOM 1562 C GLY A 114 4.707 -3.417 7.458 1.00 0.00 C ATOM 1563 O GLY A 114 5.219 -4.440 6.995 1.00 0.00 O ATOM 0 H GLY A 114 2.235 -3.518 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.150 -2.310 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.093 -3.748 9.531 1.00 0.00 H new ATOM 1567 N SER A 115 4.478 -2.336 6.733 1.00 0.00 N ATOM 1568 CA SER A 115 4.924 -2.246 5.356 1.00 0.00 C ATOM 1569 C SER A 115 6.149 -1.353 5.269 1.00 0.00 C ATOM 1570 O SER A 115 6.323 -0.465 6.105 1.00 0.00 O ATOM 1571 CB SER A 115 3.813 -1.720 4.456 1.00 0.00 C ATOM 1572 OG SER A 115 3.271 -0.514 4.951 1.00 0.00 O ATOM 0 H SER A 115 3.987 -1.510 7.075 1.00 0.00 H new ATOM 0 HA SER A 115 5.188 -3.245 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.203 -1.559 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.024 -2.468 4.375 1.00 0.00 H new ATOM 0 HG SER A 115 2.548 -0.715 5.581 1.00 0.00 H new ATOM 1577 N LEU A 116 6.991 -1.579 4.273 1.00 0.00 N ATOM 1578 CA LEU A 116 8.282 -0.918 4.218 1.00 0.00 C ATOM 1579 C LEU A 116 8.145 0.610 4.184 1.00 0.00 C ATOM 1580 O LEU A 116 8.696 1.301 5.045 1.00 0.00 O ATOM 1581 CB LEU A 116 9.060 -1.440 3.006 1.00 0.00 C ATOM 1582 CG LEU A 116 10.538 -1.074 2.951 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.717 0.359 2.488 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.180 -1.285 4.314 1.00 0.00 C ATOM 0 H LEU A 116 6.804 -2.212 3.496 1.00 0.00 H new ATOM 0 HA LEU A 116 8.835 -1.152 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.974 -2.526 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.580 -1.065 2.102 1.00 0.00 H new ATOM 0 HG LEU A 116 11.033 -1.725 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.779 0.601 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.288 0.476 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.213 1.031 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.236 -1.021 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.683 -0.655 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.081 -2.331 4.605 1.00 0.00 H new ATOM 1595 N ASN A 117 7.400 1.130 3.213 1.00 0.00 N ATOM 1596 CA ASN A 117 7.230 2.577 3.077 1.00 0.00 C ATOM 1597 C ASN A 117 6.419 3.137 4.249 1.00 0.00 C ATOM 1598 O ASN A 117 6.694 4.231 4.742 1.00 0.00 O ATOM 1599 CB ASN A 117 6.524 2.922 1.767 1.00 0.00 C ATOM 1600 CG ASN A 117 7.184 2.314 0.546 1.00 0.00 C ATOM 1601 OD1 ASN A 117 6.646 1.200 0.058 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 8.139 2.869 0.011 1.00 0.00 N flip ATOM 0 H ASN A 117 6.907 0.577 2.512 1.00 0.00 H new ATOM 0 HA ASN A 117 8.223 3.027 3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.490 2.580 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.496 4.006 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.525 3.723 0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.547 2.477 -0.838 1.00 0.00 H new ATOM 1608 N GLY A 118 5.437 2.363 4.706 1.00 0.00 N ATOM 1609 CA GLY A 118 4.581 2.800 5.795 1.00 0.00 C ATOM 1610 C GLY A 118 3.128 2.418 5.572 1.00 0.00 C ATOM 1611 O GLY A 118 2.684 2.292 4.427 1.00 0.00 O ATOM 0 H GLY A 118 5.219 1.437 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.931 2.360 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.658 3.882 5.903 1.00 0.00 H new ATOM 1615 N THR A 119 2.391 2.207 6.660 1.00 0.00 N ATOM 1616 CA THR A 119 0.979 1.857 6.568 1.00 0.00 C ATOM 1617 C THR A 119 0.087 3.002 7.037 1.00 0.00 C ATOM 1618 O THR A 119 0.250 3.526 8.141 1.00 0.00 O ATOM 1619 CB THR A 119 0.636 0.587 7.385 1.00 0.00 C ATOM 1620 OG1 THR A 119 1.203 -0.582 6.766 1.00 0.00 O ATOM 1621 CG2 THR A 119 -0.872 0.412 7.530 1.00 0.00 C ATOM 0 H THR A 119 2.749 2.273 7.613 1.00 0.00 H new ATOM 0 HA THR A 119 0.788 1.657 5.514 1.00 0.00 H new ATOM 0 HB THR A 119 1.066 0.710 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 119 1.045 -1.363 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.080 -0.488 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.291 1.278 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.324 0.321 6.542 1.00 0.00 H new ATOM 1629 N TYR A 120 -0.847 3.377 6.184 1.00 0.00 N ATOM 1630 CA TYR A 120 -1.889 4.324 6.534 1.00 0.00 C ATOM 1631 C TYR A 120 -3.200 3.864 5.931 1.00 0.00 C ATOM 1632 O TYR A 120 -3.210 3.078 4.993 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.570 5.731 6.020 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.613 6.514 6.885 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -1.073 7.232 7.979 1.00 0.00 C ATOM 1636 CD2 TYR A 120 0.739 6.556 6.592 1.00 0.00 C ATOM 1637 CE1 TYR A 120 -0.208 7.972 8.758 1.00 0.00 C ATOM 1638 CE2 TYR A 120 1.609 7.290 7.370 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.131 7.995 8.448 1.00 0.00 C ATOM 1640 OH TYR A 120 1.996 8.743 9.207 1.00 0.00 O ATOM 0 H TYR A 120 -0.905 3.032 5.226 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.957 4.366 7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.150 5.651 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.501 6.291 5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.124 7.211 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.118 6.007 5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.580 8.529 9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.662 7.311 7.133 1.00 0.00 H new ATOM 0 HH TYR A 120 2.906 8.649 8.855 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.297 4.307 6.499 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.595 4.138 5.882 1.00 0.00 C ATOM 1651 C VAL A 121 -6.461 5.345 6.220 1.00 0.00 C ATOM 1652 O VAL A 121 -6.846 5.549 7.370 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.252 2.811 6.309 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -6.157 2.661 7.790 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -7.698 2.705 5.844 1.00 0.00 C ATOM 0 H VAL A 121 -4.317 4.792 7.396 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.481 4.082 4.799 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.711 1.998 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.622 1.722 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.109 2.659 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.671 3.492 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -8.116 1.752 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.279 3.522 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.736 2.765 4.756 1.00 0.00 H new ATOM 1665 N ASN A 122 -6.716 6.169 5.210 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.393 7.452 5.391 1.00 0.00 C ATOM 1667 C ASN A 122 -6.587 8.374 6.302 1.00 0.00 C ATOM 1668 O ASN A 122 -7.135 8.990 7.215 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.802 7.275 5.952 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.680 6.439 5.048 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.220 6.929 4.057 1.00 0.00 O ATOM 1672 ND2 ASN A 122 -9.851 5.181 5.399 1.00 0.00 N ATOM 0 H ASN A 122 -6.460 5.969 4.243 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.473 7.909 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.743 6.805 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.259 8.254 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.450 4.573 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.384 4.815 6.229 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.276 8.443 6.055 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.379 9.338 6.792 1.00 0.00 C ATOM 1680 C ARG A 123 -4.186 8.919 8.252 1.00 0.00 C ATOM 1681 O ARG A 123 -3.615 9.673 9.040 1.00 0.00 O ATOM 1682 CB ARG A 123 -4.891 10.781 6.732 1.00 0.00 C ATOM 1683 CG ARG A 123 -4.582 11.498 5.428 1.00 0.00 C ATOM 1684 CD ARG A 123 -3.242 12.216 5.488 1.00 0.00 C ATOM 1685 NE ARG A 123 -2.110 11.301 5.630 1.00 0.00 N ATOM 1686 CZ ARG A 123 -1.212 11.373 6.610 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -1.379 12.221 7.620 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -0.161 10.571 6.591 1.00 0.00 N ATOM 0 H ARG A 123 -4.808 7.883 5.342 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.407 9.270 6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.970 10.778 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.453 11.345 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.574 10.778 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -5.372 12.218 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.112 12.808 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.246 12.913 6.326 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.002 10.562 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.201 12.824 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.685 12.269 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.043 9.903 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.532 10.620 7.338 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.661 7.736 8.625 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.439 7.236 9.979 1.00 0.00 C ATOM 1701 C GLU A 124 -4.023 5.765 9.968 1.00 0.00 C ATOM 1702 O GLU A 124 -4.556 4.968 9.198 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.698 7.429 10.829 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.939 6.769 10.254 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.183 7.094 11.047 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -8.767 8.173 10.820 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.578 6.279 11.904 1.00 0.00 O ATOM 0 H GLU A 124 -5.195 7.112 8.020 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.624 7.810 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.515 7.029 11.826 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.887 8.496 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.074 7.092 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.796 5.689 10.233 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.020 5.402 10.785 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.613 4.012 10.973 1.00 0.00 C ATOM 1714 C PRO A 125 -3.651 3.220 11.766 1.00 0.00 C ATOM 1715 O PRO A 125 -4.202 3.725 12.746 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.302 4.102 11.770 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.913 5.540 11.749 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.180 6.320 11.553 1.00 0.00 C ATOM 0 HA PRO A 125 -2.503 3.496 10.019 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.441 3.749 12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.527 3.481 11.320 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.423 5.823 12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.206 5.739 10.944 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.640 6.587 12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.001 7.250 11.013 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.919 1.987 11.350 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.904 1.150 12.033 1.00 0.00 C ATOM 1725 C VAL A 126 -4.384 -0.267 12.225 1.00 0.00 C ATOM 1726 O VAL A 126 -3.275 -0.591 11.803 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.236 1.065 11.255 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.811 2.451 11.000 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -6.044 0.296 9.953 1.00 0.00 C ATOM 0 H VAL A 126 -3.471 1.545 10.547 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.079 1.623 12.999 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.956 0.521 11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.748 2.361 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.995 2.949 11.952 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.102 3.037 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.992 0.245 9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.305 0.806 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.698 -0.714 10.174 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.194 -1.109 12.854 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.862 -2.522 12.993 1.00 0.00 C ATOM 1741 C ASP A 127 -5.531 -3.331 11.889 1.00 0.00 C ATOM 1742 O ASP A 127 -4.874 -4.076 11.168 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.292 -3.059 14.364 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.513 -2.444 15.510 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.382 -2.901 15.780 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -5.036 -1.514 16.159 1.00 0.00 O ATOM 0 H ASP A 127 -6.083 -0.840 13.275 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.780 -2.622 12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.355 -2.864 14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -5.161 -4.141 14.382 1.00 0.00 H new ATOM 1750 N SER A 128 -6.845 -3.165 11.763 1.00 0.00 N ATOM 1751 CA SER A 128 -7.637 -3.898 10.777 1.00 0.00 C ATOM 1752 C SER A 128 -8.894 -3.106 10.405 1.00 0.00 C ATOM 1753 O SER A 128 -9.931 -3.221 11.057 1.00 0.00 O ATOM 1754 CB SER A 128 -7.984 -5.276 11.334 1.00 0.00 C ATOM 1755 OG SER A 128 -8.419 -5.193 12.683 1.00 0.00 O ATOM 0 H SER A 128 -7.389 -2.522 12.338 1.00 0.00 H new ATOM 0 HA SER A 128 -7.057 -4.031 9.864 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.766 -5.730 10.725 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.112 -5.926 11.270 1.00 0.00 H new ATOM 0 HG SER A 128 -9.113 -4.505 12.761 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.781 -2.291 9.358 1.00 0.00 N ATOM 1761 CA ALA A 129 -9.869 -1.407 8.936 1.00 0.00 C ATOM 1762 C ALA A 129 -10.785 -2.087 7.928 1.00 0.00 C ATOM 1763 O ALA A 129 -10.321 -2.841 7.072 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.302 -0.129 8.343 1.00 0.00 C ATOM 0 H ALA A 129 -7.942 -2.224 8.782 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.463 -1.166 9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.119 0.522 8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.696 0.382 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.683 -0.372 7.479 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.077 -1.792 8.025 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.092 -2.445 7.201 1.00 0.00 C ATOM 1772 C VAL A 130 -13.112 -1.893 5.780 1.00 0.00 C ATOM 1773 O VAL A 130 -13.021 -0.682 5.570 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.507 -2.272 7.807 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.540 -3.058 7.008 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.532 -2.697 9.265 1.00 0.00 C ATOM 0 H VAL A 130 -12.450 -1.098 8.673 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.826 -3.502 7.175 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.763 -1.214 7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.526 -2.921 7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.553 -2.700 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.281 -4.117 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.537 -2.565 9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.245 -3.746 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.832 -2.086 9.834 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.201 -2.804 4.812 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.477 -2.460 3.424 1.00 0.00 C ATOM 1788 C LEU A 131 -14.744 -1.603 3.366 1.00 0.00 C ATOM 1789 O LEU A 131 -15.827 -2.054 3.741 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.661 -3.757 2.616 1.00 0.00 C ATOM 1791 CG LEU A 131 -13.279 -3.708 1.131 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -13.375 -5.095 0.526 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -14.186 -2.755 0.369 1.00 0.00 C ATOM 0 H LEU A 131 -13.083 -3.804 4.972 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.649 -1.893 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.072 -4.540 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -14.707 -4.056 2.688 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.253 -3.347 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -13.102 -5.052 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -12.696 -5.768 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -14.396 -5.464 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.895 -2.738 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -15.220 -3.090 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -14.094 -1.753 0.787 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.601 -0.377 2.894 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.677 0.598 2.940 1.00 0.00 C ATOM 1806 C ALA A 132 -15.957 1.136 1.546 1.00 0.00 C ATOM 1807 O ALA A 132 -15.376 0.674 0.572 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.319 1.725 3.895 1.00 0.00 C ATOM 0 H ALA A 132 -13.740 -0.030 2.470 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.582 0.113 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.132 2.451 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.161 1.319 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.407 2.215 3.554 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.858 2.099 1.456 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.279 2.631 0.166 1.00 0.00 C ATOM 1816 C ASN A 133 -16.633 3.990 -0.117 1.00 0.00 C ATOM 1817 O ASN A 133 -17.146 5.023 0.315 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.806 2.781 0.133 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.536 1.572 0.690 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -19.818 1.504 1.888 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.858 0.618 -0.169 1.00 0.00 N ATOM 0 H ASN A 133 -17.314 2.530 2.260 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.957 1.928 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.091 3.665 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.126 2.949 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.358 -0.211 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -19.607 0.712 -1.153 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.510 3.989 -0.833 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.936 5.241 -1.306 1.00 0.00 C ATOM 1829 C GLY A 134 -13.649 5.619 -0.601 1.00 0.00 C ATOM 1830 O GLY A 134 -12.844 6.379 -1.137 1.00 0.00 O ATOM 0 H GLY A 134 -14.990 3.151 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.745 5.163 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.664 6.040 -1.169 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.458 5.091 0.598 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.267 5.387 1.392 1.00 0.00 C ATOM 1836 C ASP A 135 -11.041 4.682 0.809 1.00 0.00 C ATOM 1837 O ASP A 135 -11.175 3.696 0.078 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.486 4.956 2.843 1.00 0.00 C ATOM 1839 CG ASP A 135 -13.592 5.739 3.529 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -14.774 5.349 3.394 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -13.286 6.748 4.201 1.00 0.00 O ATOM 0 H ASP A 135 -14.114 4.452 1.048 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.089 6.462 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -12.729 3.894 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -11.557 5.084 3.399 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.845 5.171 1.130 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.634 4.587 0.571 1.00 0.00 C ATOM 1847 C GLU A 136 -7.540 4.350 1.621 1.00 0.00 C ATOM 1848 O GLU A 136 -7.445 5.044 2.636 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.126 5.417 -0.618 1.00 0.00 C ATOM 1850 CG GLU A 136 -8.120 6.919 -0.406 1.00 0.00 C ATOM 1851 CD GLU A 136 -8.038 7.675 -1.723 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -7.912 7.027 -2.788 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -8.100 8.921 -1.710 1.00 0.00 O ATOM 0 H GLU A 136 -9.692 5.956 1.763 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.900 3.597 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -7.112 5.096 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.744 5.192 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -9.024 7.214 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -7.274 7.194 0.224 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.740 3.331 1.342 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.706 2.813 2.227 1.00 0.00 C ATOM 1860 C VAL A 137 -4.342 3.018 1.590 1.00 0.00 C ATOM 1861 O VAL A 137 -4.207 2.939 0.373 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.894 1.290 2.472 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.868 0.738 3.465 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.307 0.985 2.935 1.00 0.00 C ATOM 0 H VAL A 137 -6.795 2.823 0.459 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.779 3.347 3.175 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.727 0.789 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.036 -0.330 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.862 0.898 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.974 1.252 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.413 -0.087 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.508 1.516 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.017 1.307 2.173 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.350 3.311 2.400 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.983 3.363 1.931 1.00 0.00 C ATOM 1876 C GLN A 138 -1.280 2.054 2.230 1.00 0.00 C ATOM 1877 O GLN A 138 -1.169 1.645 3.390 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.214 4.505 2.597 1.00 0.00 C ATOM 1879 CG GLN A 138 0.278 4.521 2.263 1.00 0.00 C ATOM 1880 CD GLN A 138 0.543 4.583 0.789 1.00 0.00 C ATOM 1881 OE1 GLN A 138 0.752 3.570 0.153 1.00 0.00 O ATOM 1882 NE2 GLN A 138 0.490 5.774 0.226 1.00 0.00 N ATOM 0 H GLN A 138 -3.465 3.518 3.392 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.007 3.535 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.655 5.454 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.334 4.430 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.745 5.378 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.747 3.627 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 138 0.312 6.600 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 138 0.627 5.869 -0.780 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.818 1.388 1.193 1.00 0.00 N ATOM 1890 CA ILE A 139 0.112 0.294 1.390 1.00 0.00 C ATOM 1891 C ILE A 139 1.410 0.688 0.737 1.00 0.00 C ATOM 1892 O ILE A 139 1.429 1.005 -0.443 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.364 -1.090 0.851 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.392 -1.505 -0.417 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.862 -1.118 0.615 1.00 0.00 C ATOM 1896 CD1 ILE A 139 0.137 -2.920 -0.856 1.00 0.00 C ATOM 0 H ILE A 139 -1.065 1.579 0.222 1.00 0.00 H new ATOM 0 HA ILE A 139 0.211 0.142 2.465 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.133 -1.819 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 139 0.116 -0.830 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.461 -1.377 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.153 -2.099 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.382 -0.919 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.129 -0.356 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.710 -3.130 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.441 -3.606 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.925 -3.051 -1.062 1.00 0.00 H new ATOM 1907 N GLY A 140 2.475 0.743 1.504 1.00 0.00 N ATOM 1908 CA GLY A 140 3.724 1.150 0.927 1.00 0.00 C ATOM 1909 C GLY A 140 3.648 2.575 0.427 1.00 0.00 C ATOM 1910 O GLY A 140 3.674 3.514 1.215 1.00 0.00 O ATOM 0 H GLY A 140 2.499 0.518 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.518 1.062 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.983 0.485 0.103 1.00 0.00 H new ATOM 1914 N LYS A 141 3.502 2.738 -0.876 1.00 0.00 N ATOM 1915 CA LYS A 141 3.519 4.054 -1.464 1.00 0.00 C ATOM 1916 C LYS A 141 2.508 4.175 -2.607 1.00 0.00 C ATOM 1917 O LYS A 141 2.788 4.762 -3.642 1.00 0.00 O ATOM 1918 CB LYS A 141 4.935 4.369 -1.933 1.00 0.00 C ATOM 1919 CG LYS A 141 5.485 3.451 -3.014 1.00 0.00 C ATOM 1920 CD LYS A 141 6.784 4.006 -3.592 1.00 0.00 C ATOM 1921 CE LYS A 141 7.574 2.943 -4.325 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.078 3.410 -5.645 1.00 0.00 N ATOM 0 H LYS A 141 3.371 1.975 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 141 3.220 4.784 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 141 4.957 5.393 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.602 4.328 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.662 2.459 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.748 3.337 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 141 6.557 4.825 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.392 4.420 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 141 8.417 2.633 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 141 6.945 2.065 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 8.000 2.639 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 7.512 4.222 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.074 3.696 -5.555 1.00 0.00 H new ATOM 1932 N PHE A 142 1.323 3.627 -2.401 1.00 0.00 N ATOM 1933 CA PHE A 142 0.274 3.641 -3.414 1.00 0.00 C ATOM 1934 C PHE A 142 -1.037 4.028 -2.736 1.00 0.00 C ATOM 1935 O PHE A 142 -1.235 3.732 -1.555 1.00 0.00 O ATOM 1936 CB PHE A 142 0.119 2.262 -4.092 1.00 0.00 C ATOM 1937 CG PHE A 142 1.406 1.489 -4.216 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.089 1.069 -3.089 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.929 1.181 -5.456 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.262 0.360 -3.195 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.105 0.469 -5.569 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.770 0.059 -4.438 1.00 0.00 C ATOM 0 H PHE A 142 1.059 3.161 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 142 0.540 4.360 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.596 1.668 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.304 2.404 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.695 1.302 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.411 1.501 -6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.784 0.040 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.503 0.234 -6.545 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.691 -0.499 -4.525 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.921 4.693 -3.459 1.00 0.00 N ATOM 1952 CA ARG A 143 -3.200 5.105 -2.895 1.00 0.00 C ATOM 1953 C ARG A 143 -4.286 4.110 -3.308 1.00 0.00 C ATOM 1954 O ARG A 143 -4.672 4.070 -4.472 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.551 6.512 -3.387 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.559 7.227 -2.515 1.00 0.00 C ATOM 1957 CD ARG A 143 -5.222 8.386 -3.245 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.470 9.641 -3.170 1.00 0.00 N ATOM 1959 CZ ARG A 143 -5.019 10.794 -2.768 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.256 10.807 -2.273 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -4.333 11.928 -2.841 1.00 0.00 N ATOM 0 H ARG A 143 -1.780 4.960 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.132 5.121 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.640 7.108 -3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.944 6.445 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.322 6.520 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -4.064 7.599 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.355 8.115 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.217 8.544 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.485 9.636 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.785 9.938 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.674 11.686 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.380 11.925 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.759 12.802 -2.533 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.771 3.304 -2.362 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.663 2.183 -2.687 1.00 0.00 C ATOM 1974 C LEU A 144 -7.040 2.356 -2.068 1.00 0.00 C ATOM 1975 O LEU A 144 -7.205 2.196 -0.872 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.086 0.854 -2.185 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.640 0.550 -2.572 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.667 1.241 -1.646 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.398 -0.937 -2.553 1.00 0.00 C ATOM 0 H LEU A 144 -4.564 3.403 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.751 2.171 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.158 0.840 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -5.716 0.046 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.477 0.929 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.647 1.005 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.820 2.319 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.831 0.899 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -2.364 -1.141 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -3.588 -1.324 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.067 -1.424 -3.263 1.00 0.00 H new ATOM 1990 N VAL A 145 -8.037 2.594 -2.888 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.386 2.839 -2.395 1.00 0.00 C ATOM 1992 C VAL A 145 -10.252 1.609 -2.591 1.00 0.00 C ATOM 1993 O VAL A 145 -10.164 0.934 -3.608 1.00 0.00 O ATOM 1994 CB VAL A 145 -10.035 4.053 -3.100 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.347 4.318 -4.418 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.521 3.822 -3.324 1.00 0.00 C ATOM 0 H VAL A 145 -7.946 2.625 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.312 3.063 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 145 -9.918 4.924 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.812 5.175 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.292 4.529 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.439 3.441 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.953 4.690 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.662 2.939 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -12.014 3.671 -2.364 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.096 1.324 -1.620 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.928 0.139 -1.689 1.00 0.00 C ATOM 2008 C PHE A 146 -13.389 0.471 -1.956 1.00 0.00 C ATOM 2009 O PHE A 146 -13.888 1.526 -1.557 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.781 -0.733 -0.434 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.645 0.001 0.875 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.400 1.124 1.159 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.751 -0.452 1.832 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -12.265 1.777 2.365 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.614 0.197 3.043 1.00 0.00 C ATOM 2016 CZ PHE A 146 -11.372 1.315 3.309 1.00 0.00 C ATOM 0 H PHE A 146 -11.224 1.890 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.569 -0.439 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -12.649 -1.390 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.907 -1.371 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -13.103 1.494 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -10.152 -1.327 1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -12.861 2.654 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -9.915 -0.171 3.779 1.00 0.00 H new ATOM 0 HZ PHE A 146 -11.268 1.828 4.253 1.00 0.00 H new ATOM 2025 N LEU A 147 -14.046 -0.434 -2.676 1.00 0.00 N ATOM 2026 CA LEU A 147 -15.465 -0.322 -2.992 1.00 0.00 C ATOM 2027 C LEU A 147 -16.138 -1.682 -2.838 1.00 0.00 C ATOM 2028 O LEU A 147 -15.464 -2.716 -2.837 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.684 0.177 -4.430 1.00 0.00 C ATOM 2030 CG LEU A 147 -15.489 1.676 -4.677 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -16.125 2.486 -3.562 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -14.018 2.020 -4.837 1.00 0.00 C ATOM 0 H LEU A 147 -13.605 -1.271 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.901 0.399 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -15.004 -0.367 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -16.697 -0.088 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.988 1.934 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.977 3.549 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -17.193 2.271 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.663 2.221 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.912 3.091 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -13.479 1.744 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.606 1.472 -5.684 1.00 0.00 H new