USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN :FLIP amide:sc=-0.00825 F(o=-4.2,f=-2.9) USER MOD Set 1.2: A 138 GLN :FLIP amide:sc= -2.89 F(o=-4.1!,f=-2.9) USER MOD Set 2.1: A 98 HIS : no HE2:sc= -6.31! C(o=-4.1!,f=-14!) USER MOD Set 2.2: A 119 THR OG1 : rot 157:sc= 2.21 USER MOD Set 3.1: A 65 ASN : amide:sc= -0.604 X(o=-0.99,f=-1.3) USER MOD Set 3.2: A 68 SER OG : rot -100:sc= -0.384 USER MOD Single : A 23 SER OG : rot 180:sc= -0.604 USER MOD Single : A 55 SER OG : rot -20:sc= 0.184 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc=-0.00733 (180deg=-0.175) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.56! C(o=-2.4!,f=-1.6!) USER MOD Single : A 77 THR OG1 : rot -170:sc= -3.5! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-6.2!) USER MOD Single : A 93 THR OG1 : rot -165:sc= 0.755 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.489 K(o=-0.49,f=-2.7!) USER MOD Single : A 115 SER OG : rot -130:sc= 1.33 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.69 F(o=-2.4,f=-1.7) USER MOD Single : A 128 SER OG : rot 51:sc= 0.0345 USER MOD Single : A 133 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.8!) USER MOD Single : A 141 LYS NZ :NH3+ 149:sc= 0.323 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.355 -1.431 -1.609 1.00 0.00 N ATOM 306 CA SER A 23 12.850 -0.126 -2.083 1.00 0.00 C ATOM 307 C SER A 23 12.142 1.114 -1.534 1.00 0.00 C ATOM 308 O SER A 23 12.468 2.236 -1.923 1.00 0.00 O ATOM 309 CB SER A 23 12.794 -0.098 -3.599 1.00 0.00 C ATOM 310 OG SER A 23 13.718 -1.013 -4.159 1.00 0.00 O ATOM 0 HA SER A 23 13.866 -0.057 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.786 -0.343 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.012 0.909 -3.956 1.00 0.00 H new ATOM 0 HG SER A 23 13.662 -0.978 -5.137 1.00 0.00 H new ATOM 315 N VAL A 24 11.229 0.909 -0.613 1.00 0.00 N ATOM 316 CA VAL A 24 10.494 1.998 0.045 1.00 0.00 C ATOM 317 C VAL A 24 9.967 3.043 -0.975 1.00 0.00 C ATOM 318 O VAL A 24 9.642 2.699 -2.117 1.00 0.00 O ATOM 319 CB VAL A 24 11.426 2.709 1.062 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.640 3.429 2.154 1.00 0.00 C ATOM 321 CG2 VAL A 24 12.430 1.751 1.691 1.00 0.00 C ATOM 0 H VAL A 24 10.963 -0.020 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 24 9.635 1.558 0.552 1.00 0.00 H new ATOM 0 HB VAL A 24 11.979 3.454 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.333 3.912 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.994 4.182 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.030 2.708 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.060 2.295 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.897 0.959 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.053 1.313 0.911 1.00 0.00 H new ATOM 331 N PHE A 25 9.819 4.290 -0.494 1.00 0.00 N ATOM 332 CA PHE A 25 9.730 5.516 -1.311 1.00 0.00 C ATOM 333 C PHE A 25 8.299 6.038 -1.518 1.00 0.00 C ATOM 334 O PHE A 25 7.402 5.622 -0.800 1.00 0.00 O ATOM 335 CB PHE A 25 10.456 5.347 -2.648 1.00 0.00 C ATOM 336 CG PHE A 25 11.466 6.423 -2.916 1.00 0.00 C ATOM 337 CD1 PHE A 25 12.677 6.436 -2.241 1.00 0.00 C ATOM 338 CD2 PHE A 25 11.207 7.419 -3.840 1.00 0.00 C ATOM 339 CE1 PHE A 25 13.611 7.424 -2.482 1.00 0.00 C ATOM 340 CE2 PHE A 25 12.137 8.411 -4.087 1.00 0.00 C ATOM 341 CZ PHE A 25 13.341 8.414 -3.405 1.00 0.00 C ATOM 0 H PHE A 25 9.756 4.480 0.506 1.00 0.00 H new ATOM 0 HA PHE A 25 10.237 6.286 -0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.955 4.378 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.722 5.339 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.892 5.664 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.268 7.422 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 25 14.551 7.422 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.924 9.183 -4.812 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.068 9.190 -3.595 1.00 0.00 H new ATOM 350 N ARG A 26 8.132 6.975 -2.501 1.00 0.00 N ATOM 351 CA ARG A 26 6.868 7.734 -2.759 1.00 0.00 C ATOM 352 C ARG A 26 6.113 7.979 -1.454 1.00 0.00 C ATOM 353 O ARG A 26 6.412 8.924 -0.729 1.00 0.00 O ATOM 354 CB ARG A 26 5.972 7.016 -3.813 1.00 0.00 C ATOM 355 CG ARG A 26 4.821 7.842 -4.463 1.00 0.00 C ATOM 356 CD ARG A 26 3.832 8.424 -3.458 1.00 0.00 C ATOM 357 NE ARG A 26 2.421 8.122 -3.752 1.00 0.00 N ATOM 358 CZ ARG A 26 1.806 8.309 -4.928 1.00 0.00 C ATOM 359 NH1 ARG A 26 2.486 8.635 -6.020 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.491 8.157 -5.002 1.00 0.00 N ATOM 0 H ARG A 26 8.882 7.227 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 26 7.138 8.703 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.618 6.653 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.530 6.140 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.255 8.656 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.280 7.205 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.074 8.043 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.960 9.506 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 26 1.861 7.736 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.499 8.748 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.996 8.772 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.040 7.901 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.011 8.296 -5.891 1.00 0.00 H new ATOM 707 N SER A 55 -18.014 -9.787 -4.322 1.00 0.00 N ATOM 708 CA SER A 55 -16.603 -9.661 -4.009 1.00 0.00 C ATOM 709 C SER A 55 -16.279 -8.200 -3.732 1.00 0.00 C ATOM 710 O SER A 55 -16.886 -7.304 -4.318 1.00 0.00 O ATOM 711 CB SER A 55 -15.758 -10.168 -5.175 1.00 0.00 C ATOM 712 OG SER A 55 -16.181 -9.586 -6.397 1.00 0.00 O ATOM 0 HA SER A 55 -16.375 -10.259 -3.127 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.709 -9.931 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.834 -11.253 -5.239 1.00 0.00 H new ATOM 0 HG SER A 55 -17.097 -9.251 -6.300 1.00 0.00 H new ATOM 717 N ALA A 56 -15.337 -7.963 -2.847 1.00 0.00 N ATOM 718 CA ALA A 56 -14.915 -6.609 -2.539 1.00 0.00 C ATOM 719 C ALA A 56 -13.417 -6.509 -2.691 1.00 0.00 C ATOM 720 O ALA A 56 -12.724 -7.526 -2.651 1.00 0.00 O ATOM 721 CB ALA A 56 -15.343 -6.213 -1.140 1.00 0.00 C ATOM 0 H ALA A 56 -14.846 -8.689 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.393 -5.919 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.015 -5.194 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.429 -6.267 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.894 -6.893 -0.416 1.00 0.00 H new ATOM 727 N LEU A 57 -12.905 -5.305 -2.880 1.00 0.00 N ATOM 728 CA LEU A 57 -11.494 -5.162 -3.171 1.00 0.00 C ATOM 729 C LEU A 57 -10.974 -3.762 -2.904 1.00 0.00 C ATOM 730 O LEU A 57 -11.649 -2.764 -3.153 1.00 0.00 O ATOM 731 CB LEU A 57 -11.193 -5.567 -4.630 1.00 0.00 C ATOM 732 CG LEU A 57 -11.761 -4.661 -5.738 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.206 -5.078 -7.091 1.00 0.00 C ATOM 734 CD2 LEU A 57 -13.281 -4.711 -5.779 1.00 0.00 C ATOM 0 H LEU A 57 -13.432 -4.433 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.971 -5.834 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.111 -5.614 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.576 -6.575 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.458 -3.638 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.614 -4.431 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.119 -4.991 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.486 -6.111 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.645 -4.059 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.606 -5.733 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.682 -4.376 -4.822 1.00 0.00 H new ATOM 745 N LEU A 58 -9.772 -3.719 -2.350 1.00 0.00 N ATOM 746 CA LEU A 58 -9.017 -2.472 -2.246 1.00 0.00 C ATOM 747 C LEU A 58 -8.165 -2.287 -3.484 1.00 0.00 C ATOM 748 O LEU A 58 -7.206 -3.021 -3.677 1.00 0.00 O ATOM 749 CB LEU A 58 -8.073 -2.474 -1.048 1.00 0.00 C ATOM 750 CG LEU A 58 -8.696 -2.573 0.329 1.00 0.00 C ATOM 751 CD1 LEU A 58 -8.984 -4.013 0.683 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.763 -1.955 1.342 1.00 0.00 C ATOM 0 H LEU A 58 -9.294 -4.533 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.746 -1.669 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.381 -3.308 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.480 -1.560 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.643 -2.033 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.431 -4.061 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.674 -4.436 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.055 -4.582 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.207 -2.024 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.812 -2.487 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.596 -0.908 1.091 1.00 0.00 H new ATOM 763 N VAL A 59 -8.484 -1.299 -4.291 1.00 0.00 N ATOM 764 CA VAL A 59 -7.755 -1.066 -5.524 1.00 0.00 C ATOM 765 C VAL A 59 -6.824 0.136 -5.370 1.00 0.00 C ATOM 766 O VAL A 59 -7.265 1.214 -4.984 1.00 0.00 O ATOM 767 CB VAL A 59 -8.726 -0.792 -6.697 1.00 0.00 C ATOM 768 CG1 VAL A 59 -7.974 -0.627 -8.009 1.00 0.00 C ATOM 769 CG2 VAL A 59 -9.761 -1.897 -6.809 1.00 0.00 C ATOM 0 H VAL A 59 -9.244 -0.642 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.174 -1.963 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.243 0.144 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.684 -0.436 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.282 0.211 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.417 -1.538 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.433 -1.683 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.259 -2.849 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.335 -1.953 -5.884 1.00 0.00 H new ATOM 779 N VAL A 60 -5.540 -0.041 -5.655 1.00 0.00 N ATOM 780 CA VAL A 60 -4.620 1.079 -5.643 1.00 0.00 C ATOM 781 C VAL A 60 -4.908 1.934 -6.876 1.00 0.00 C ATOM 782 O VAL A 60 -4.763 1.487 -8.027 1.00 0.00 O ATOM 783 CB VAL A 60 -3.124 0.626 -5.561 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.018 -0.776 -4.992 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.407 0.699 -6.884 1.00 0.00 C ATOM 0 H VAL A 60 -5.120 -0.939 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.777 1.672 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.631 1.332 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.970 -1.071 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.447 -0.795 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.561 -1.471 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.375 0.372 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.907 0.052 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.420 1.726 -7.248 1.00 0.00 H new ATOM 795 N LYS A 61 -5.394 3.141 -6.614 1.00 0.00 N ATOM 796 CA LYS A 61 -5.869 4.026 -7.660 1.00 0.00 C ATOM 797 C LYS A 61 -4.692 4.671 -8.369 1.00 0.00 C ATOM 798 O LYS A 61 -4.543 4.559 -9.586 1.00 0.00 O ATOM 799 CB LYS A 61 -6.780 5.109 -7.075 1.00 0.00 C ATOM 800 CG LYS A 61 -7.447 5.975 -8.130 1.00 0.00 C ATOM 801 CD LYS A 61 -8.391 6.991 -7.508 1.00 0.00 C ATOM 802 CE LYS A 61 -9.076 7.844 -8.567 1.00 0.00 C ATOM 803 NZ LYS A 61 -9.937 7.035 -9.471 1.00 0.00 N ATOM 0 H LYS A 61 -5.468 3.529 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.442 3.438 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.550 4.635 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.195 5.745 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.684 6.494 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.000 5.342 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.144 6.473 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.835 7.634 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.681 8.608 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.321 8.364 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.523 7.669 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.339 6.453 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.552 6.417 -8.904 1.00 0.00 H new ATOM 813 N ARG A 62 -3.849 5.333 -7.593 1.00 0.00 N ATOM 814 CA ARG A 62 -2.690 6.019 -8.126 1.00 0.00 C ATOM 815 C ARG A 62 -1.505 5.864 -7.194 1.00 0.00 C ATOM 816 O ARG A 62 -1.600 6.099 -5.993 1.00 0.00 O ATOM 817 CB ARG A 62 -2.991 7.497 -8.362 1.00 0.00 C ATOM 818 CG ARG A 62 -3.852 7.745 -9.587 1.00 0.00 C ATOM 819 CD ARG A 62 -4.172 9.220 -9.765 1.00 0.00 C ATOM 820 NE ARG A 62 -2.965 10.036 -9.875 1.00 0.00 N ATOM 821 CZ ARG A 62 -2.585 10.655 -10.992 1.00 0.00 C ATOM 822 NH1 ARG A 62 -3.292 10.512 -12.109 1.00 0.00 N ATOM 823 NH2 ARG A 62 -1.500 11.419 -10.987 1.00 0.00 N ATOM 0 H ARG A 62 -3.951 5.408 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.441 5.565 -9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.494 7.903 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.052 8.039 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.337 7.376 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.780 7.180 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.781 9.353 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.767 9.566 -8.920 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.378 10.138 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.128 9.927 -12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.999 10.987 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.959 11.531 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.207 11.894 -11.841 1.00 0.00 H new ATOM 834 N GLY A 63 -0.401 5.451 -7.765 1.00 0.00 N ATOM 835 CA GLY A 63 0.808 5.240 -7.041 1.00 0.00 C ATOM 836 C GLY A 63 1.871 4.835 -8.015 1.00 0.00 C ATOM 837 O GLY A 63 1.587 4.732 -9.206 1.00 0.00 O ATOM 0 H GLY A 63 -0.326 5.251 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.100 6.149 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.669 4.466 -6.286 1.00 0.00 H new ATOM 841 N PRO A 64 3.090 4.615 -7.558 1.00 0.00 N ATOM 842 CA PRO A 64 4.197 4.225 -8.415 1.00 0.00 C ATOM 843 C PRO A 64 3.860 3.082 -9.355 1.00 0.00 C ATOM 844 O PRO A 64 4.134 3.144 -10.554 1.00 0.00 O ATOM 845 CB PRO A 64 5.277 3.821 -7.423 1.00 0.00 C ATOM 846 CG PRO A 64 5.005 4.675 -6.253 1.00 0.00 C ATOM 847 CD PRO A 64 3.512 4.795 -6.175 1.00 0.00 C ATOM 0 HA PRO A 64 4.492 5.033 -9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.215 2.762 -7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.276 3.995 -7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.410 4.233 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.471 5.654 -6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.081 4.037 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.206 5.765 -5.784 1.00 0.00 H new ATOM 852 N ASN A 65 3.272 2.038 -8.810 1.00 0.00 N ATOM 853 CA ASN A 65 2.768 0.952 -9.631 1.00 0.00 C ATOM 854 C ASN A 65 1.405 1.326 -10.139 1.00 0.00 C ATOM 855 O ASN A 65 1.145 1.329 -11.343 1.00 0.00 O ATOM 856 CB ASN A 65 2.637 -0.325 -8.820 1.00 0.00 C ATOM 857 CG ASN A 65 2.580 -1.573 -9.677 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.207 -1.648 -10.731 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.810 -2.554 -9.235 1.00 0.00 N ATOM 0 H ASN A 65 3.131 1.916 -7.807 1.00 0.00 H new ATOM 0 HA ASN A 65 3.465 0.784 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.481 -0.401 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.735 -0.269 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.720 -3.414 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.307 -2.450 -8.354 1.00 0.00 H new ATOM 865 N ALA A 66 0.569 1.696 -9.183 1.00 0.00 N ATOM 866 CA ALA A 66 -0.860 1.917 -9.415 1.00 0.00 C ATOM 867 C ALA A 66 -1.553 0.706 -10.073 1.00 0.00 C ATOM 868 O ALA A 66 -0.909 -0.271 -10.454 1.00 0.00 O ATOM 869 CB ALA A 66 -1.084 3.166 -10.256 1.00 0.00 C ATOM 0 H ALA A 66 0.858 1.854 -8.218 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.314 2.055 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.153 3.310 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.674 4.032 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.586 3.051 -11.219 1.00 0.00 H new ATOM 875 N GLY A 67 -2.884 0.755 -10.152 1.00 0.00 N ATOM 876 CA GLY A 67 -3.616 -0.251 -10.907 1.00 0.00 C ATOM 877 C GLY A 67 -3.826 -1.555 -10.154 1.00 0.00 C ATOM 878 O GLY A 67 -4.382 -2.504 -10.704 1.00 0.00 O ATOM 0 H GLY A 67 -3.464 1.468 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.588 0.155 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.078 -0.460 -11.832 1.00 0.00 H new ATOM 882 N SER A 68 -3.382 -1.623 -8.907 1.00 0.00 N ATOM 883 CA SER A 68 -3.375 -2.897 -8.195 1.00 0.00 C ATOM 884 C SER A 68 -4.602 -3.012 -7.295 1.00 0.00 C ATOM 885 O SER A 68 -5.390 -2.082 -7.227 1.00 0.00 O ATOM 886 CB SER A 68 -2.090 -3.018 -7.389 1.00 0.00 C ATOM 887 OG SER A 68 -0.981 -2.574 -8.155 1.00 0.00 O ATOM 0 H SER A 68 -3.028 -0.829 -8.374 1.00 0.00 H new ATOM 0 HA SER A 68 -3.416 -3.715 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.169 -2.428 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.939 -4.054 -7.086 1.00 0.00 H new ATOM 0 HG SER A 68 -0.507 -3.348 -8.524 1.00 0.00 H new ATOM 892 N ARG A 69 -4.772 -4.142 -6.605 1.00 0.00 N ATOM 893 CA ARG A 69 -5.968 -4.356 -5.781 1.00 0.00 C ATOM 894 C ARG A 69 -5.843 -5.615 -4.922 1.00 0.00 C ATOM 895 O ARG A 69 -5.161 -6.563 -5.315 1.00 0.00 O ATOM 896 CB ARG A 69 -7.228 -4.460 -6.661 1.00 0.00 C ATOM 897 CG ARG A 69 -7.397 -5.787 -7.392 1.00 0.00 C ATOM 898 CD ARG A 69 -6.296 -6.043 -8.407 1.00 0.00 C ATOM 899 NE ARG A 69 -5.566 -7.274 -8.109 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.129 -8.127 -9.037 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.353 -7.885 -10.325 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.471 -9.224 -8.676 1.00 0.00 N ATOM 0 H ARG A 69 -4.107 -4.915 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.059 -3.494 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.105 -4.293 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.205 -3.657 -7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.410 -6.599 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.362 -5.797 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.729 -6.108 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.604 -5.201 -8.414 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.379 -7.494 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.860 -7.046 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.018 -8.539 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.300 -9.414 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.137 -9.876 -9.386 1.00 0.00 H new ATOM 913 N PHE A 70 -6.518 -5.645 -3.762 1.00 0.00 N ATOM 914 CA PHE A 70 -6.543 -6.844 -2.951 1.00 0.00 C ATOM 915 C PHE A 70 -7.801 -7.593 -3.321 1.00 0.00 C ATOM 916 O PHE A 70 -8.866 -6.980 -3.411 1.00 0.00 O ATOM 917 CB PHE A 70 -6.619 -6.582 -1.423 1.00 0.00 C ATOM 918 CG PHE A 70 -5.716 -5.532 -0.830 1.00 0.00 C ATOM 919 CD1 PHE A 70 -4.950 -4.704 -1.617 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.660 -5.378 0.549 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.142 -3.743 -1.057 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.849 -4.414 1.120 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.089 -3.593 0.313 1.00 0.00 C ATOM 0 H PHE A 70 -7.043 -4.858 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.615 -7.382 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.647 -6.309 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.412 -7.523 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.984 -4.810 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.256 -6.018 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.547 -3.103 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.811 -4.304 2.194 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.456 -2.836 0.752 1.00 0.00 H new ATOM 932 N LEU A 71 -7.692 -8.892 -3.532 1.00 0.00 N ATOM 933 CA LEU A 71 -8.846 -9.702 -3.841 1.00 0.00 C ATOM 934 C LEU A 71 -9.478 -10.157 -2.542 1.00 0.00 C ATOM 935 O LEU A 71 -9.066 -11.148 -1.954 1.00 0.00 O ATOM 936 CB LEU A 71 -8.431 -10.898 -4.716 1.00 0.00 C ATOM 937 CG LEU A 71 -9.524 -11.931 -5.013 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.366 -12.480 -6.418 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.482 -13.074 -4.001 1.00 0.00 C ATOM 0 H LEU A 71 -6.812 -9.406 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.577 -9.123 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.055 -10.514 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.601 -11.408 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.490 -11.432 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.150 -13.212 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.443 -11.665 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.391 -12.958 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.267 -13.794 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.511 -13.567 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.638 -12.678 -2.998 1.00 0.00 H new ATOM 950 N LEU A 72 -10.455 -9.426 -2.056 1.00 0.00 N ATOM 951 CA LEU A 72 -11.082 -9.829 -0.820 1.00 0.00 C ATOM 952 C LEU A 72 -12.306 -10.685 -1.124 1.00 0.00 C ATOM 953 O LEU A 72 -13.387 -10.500 -0.567 1.00 0.00 O ATOM 954 CB LEU A 72 -11.421 -8.631 0.087 1.00 0.00 C ATOM 955 CG LEU A 72 -10.229 -7.735 0.433 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.937 -6.807 -0.699 1.00 0.00 C ATOM 957 CD2 LEU A 72 -10.462 -6.939 1.697 1.00 0.00 C ATOM 0 H LEU A 72 -10.823 -8.576 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.369 -10.429 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.183 -8.026 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.858 -9.005 1.013 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.374 -8.388 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.087 -6.175 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.701 -7.386 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.809 -6.182 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.590 -6.318 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.338 -6.303 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.626 -7.621 2.531 1.00 0.00 H new ATOM 968 N ASP A 73 -12.100 -11.614 -2.045 1.00 0.00 N ATOM 969 CA ASP A 73 -13.124 -12.564 -2.464 1.00 0.00 C ATOM 970 C ASP A 73 -12.923 -13.899 -1.755 1.00 0.00 C ATOM 971 O ASP A 73 -13.874 -14.644 -1.518 1.00 0.00 O ATOM 972 CB ASP A 73 -13.058 -12.745 -3.986 1.00 0.00 C ATOM 973 CG ASP A 73 -13.955 -13.851 -4.508 1.00 0.00 C ATOM 974 OD1 ASP A 73 -15.175 -13.624 -4.638 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.432 -14.941 -4.830 1.00 0.00 O ATOM 0 H ASP A 73 -11.210 -11.732 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.108 -12.180 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.335 -11.807 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.028 -12.958 -4.273 1.00 0.00 H new ATOM 979 N GLN A 74 -11.673 -14.184 -1.407 1.00 0.00 N ATOM 980 CA GLN A 74 -11.336 -15.403 -0.670 1.00 0.00 C ATOM 981 C GLN A 74 -11.339 -15.123 0.834 1.00 0.00 C ATOM 982 O GLN A 74 -11.984 -14.186 1.274 1.00 0.00 O ATOM 983 CB GLN A 74 -9.997 -15.994 -1.124 1.00 0.00 C ATOM 984 CG GLN A 74 -8.795 -15.093 -0.937 1.00 0.00 C ATOM 985 CD GLN A 74 -7.541 -15.905 -0.700 1.00 0.00 C ATOM 986 OE1 GLN A 74 -6.426 -15.446 -1.226 1.00 0.00 O flip ATOM 987 NE2 GLN A 74 -7.588 -16.964 -0.079 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.873 -13.589 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.098 -16.151 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.824 -16.921 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.073 -16.256 -2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.665 -14.466 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.965 -14.425 -0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.472 -17.286 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.743 -17.521 0.044 1.00 0.00 H new ATOM 994 N ALA A 75 -10.720 -15.988 1.627 1.00 0.00 N ATOM 995 CA ALA A 75 -10.629 -15.768 3.072 1.00 0.00 C ATOM 996 C ALA A 75 -9.651 -14.637 3.432 1.00 0.00 C ATOM 997 O ALA A 75 -10.001 -13.733 4.192 1.00 0.00 O ATOM 998 CB ALA A 75 -10.229 -17.054 3.777 1.00 0.00 C ATOM 0 H ALA A 75 -10.274 -16.845 1.300 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.617 -15.460 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.165 -16.876 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.975 -17.824 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.259 -17.386 3.406 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.422 -14.693 2.911 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.414 -13.680 3.229 1.00 0.00 C ATOM 1006 C ILE A 76 -6.301 -13.626 2.172 1.00 0.00 C ATOM 1007 O ILE A 76 -5.853 -14.656 1.667 1.00 0.00 O ATOM 1008 CB ILE A 76 -6.851 -13.891 4.670 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.564 -13.082 4.942 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.629 -15.358 4.962 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.270 -13.780 4.542 1.00 0.00 C ATOM 0 H ILE A 76 -8.104 -15.422 2.273 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.902 -12.706 3.207 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.612 -13.509 5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.628 -12.134 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.519 -12.846 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.237 -15.473 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.575 -15.893 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.915 -15.767 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.422 -13.134 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.175 -14.714 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.286 -13.991 3.473 1.00 0.00 H new ATOM 1022 N THR A 77 -5.874 -12.405 1.842 1.00 0.00 N ATOM 1023 CA THR A 77 -4.868 -12.171 0.801 1.00 0.00 C ATOM 1024 C THR A 77 -3.643 -11.437 1.363 1.00 0.00 C ATOM 1025 O THR A 77 -3.768 -10.685 2.322 1.00 0.00 O ATOM 1026 CB THR A 77 -5.451 -11.316 -0.340 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.029 -10.117 0.175 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.494 -12.089 -1.117 1.00 0.00 C ATOM 0 H THR A 77 -6.214 -11.552 2.287 1.00 0.00 H new ATOM 0 HA THR A 77 -4.570 -13.150 0.425 1.00 0.00 H new ATOM 0 HB THR A 77 -4.633 -11.058 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.530 -9.664 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.890 -11.463 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.040 -12.982 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.305 -12.379 -0.449 1.00 0.00 H new ATOM 1036 N SER A 78 -2.468 -11.643 0.765 1.00 0.00 N ATOM 1037 CA SER A 78 -1.278 -10.864 1.120 1.00 0.00 C ATOM 1038 C SER A 78 -1.124 -9.691 0.152 1.00 0.00 C ATOM 1039 O SER A 78 -1.048 -9.890 -1.062 1.00 0.00 O ATOM 1040 CB SER A 78 -0.037 -11.744 1.105 1.00 0.00 C ATOM 1041 OG SER A 78 -0.100 -12.733 2.115 1.00 0.00 O ATOM 0 H SER A 78 -2.314 -12.339 0.036 1.00 0.00 H new ATOM 0 HA SER A 78 -1.397 -10.473 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.062 -12.222 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.851 -11.128 1.250 1.00 0.00 H new ATOM 0 HG SER A 78 0.709 -13.286 2.082 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.045 -8.477 0.697 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.184 -7.261 -0.101 1.00 0.00 C ATOM 1048 C ALA A 79 -0.031 -6.287 0.069 1.00 0.00 C ATOM 1049 O ALA A 79 0.146 -5.720 1.150 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.465 -6.566 0.299 1.00 0.00 C ATOM 0 H ALA A 79 -0.885 -8.310 1.691 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.192 -7.566 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.584 -5.655 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.311 -7.229 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.426 -6.312 1.358 1.00 0.00 H new ATOM 1056 N GLY A 80 0.715 -6.038 -1.004 1.00 0.00 N ATOM 1057 CA GLY A 80 1.809 -5.111 -0.933 1.00 0.00 C ATOM 1058 C GLY A 80 2.910 -5.496 -1.883 1.00 0.00 C ATOM 1059 O GLY A 80 2.962 -5.038 -3.016 1.00 0.00 O ATOM 0 H GLY A 80 0.574 -6.467 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.455 -4.108 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.198 -5.080 0.085 1.00 0.00 H new ATOM 1063 N ARG A 81 3.779 -6.359 -1.426 1.00 0.00 N ATOM 1064 CA ARG A 81 4.871 -6.822 -2.233 1.00 0.00 C ATOM 1065 C ARG A 81 4.712 -8.304 -2.480 1.00 0.00 C ATOM 1066 O ARG A 81 4.931 -9.133 -1.596 1.00 0.00 O ATOM 1067 CB ARG A 81 6.198 -6.490 -1.565 1.00 0.00 C ATOM 1068 CG ARG A 81 7.386 -7.102 -2.266 1.00 0.00 C ATOM 1069 CD ARG A 81 8.160 -8.043 -1.372 1.00 0.00 C ATOM 1070 NE ARG A 81 9.462 -7.480 -1.021 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.606 -7.792 -1.627 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.630 -8.700 -2.594 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.725 -7.185 -1.259 1.00 0.00 N ATOM 0 H ARG A 81 3.748 -6.758 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 81 4.865 -6.315 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.321 -5.407 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.175 -6.838 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.045 -7.642 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.048 -6.309 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.589 -8.241 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.297 -8.999 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 81 9.497 -6.802 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.768 -9.165 -2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.511 -8.933 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.705 -6.485 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.606 -7.418 -1.718 1.00 0.00 H new ATOM 1084 N HIS A 82 4.287 -8.635 -3.678 1.00 0.00 N ATOM 1085 CA HIS A 82 3.879 -9.984 -3.959 1.00 0.00 C ATOM 1086 C HIS A 82 4.352 -10.450 -5.330 1.00 0.00 C ATOM 1087 O HIS A 82 4.098 -9.795 -6.337 1.00 0.00 O ATOM 1088 CB HIS A 82 2.360 -10.055 -3.894 1.00 0.00 C ATOM 1089 CG HIS A 82 1.864 -11.069 -2.933 1.00 0.00 C ATOM 1090 ND1 HIS A 82 2.638 -11.566 -1.913 1.00 0.00 N ATOM 1091 CD2 HIS A 82 0.677 -11.704 -2.853 1.00 0.00 C ATOM 1092 CE1 HIS A 82 1.952 -12.475 -1.252 1.00 0.00 C ATOM 1093 NE2 HIS A 82 0.760 -12.573 -1.799 1.00 0.00 N ATOM 0 H HIS A 82 4.217 -7.991 -4.466 1.00 0.00 H new ATOM 0 HA HIS A 82 4.332 -10.641 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.969 -9.077 -3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.970 -10.283 -4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.176 -11.555 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.308 -13.043 -0.405 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.016 -13.197 -1.487 1.00 0.00 H new ATOM 1133 N ASP A 86 -2.067 -12.691 -4.727 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.307 -11.908 -4.623 1.00 0.00 C ATOM 1135 C ASP A 86 -3.100 -10.474 -5.109 1.00 0.00 C ATOM 1136 O ASP A 86 -3.572 -10.086 -6.178 1.00 0.00 O ATOM 1137 CB ASP A 86 -3.794 -11.845 -3.162 1.00 0.00 C ATOM 1138 CG ASP A 86 -3.460 -13.088 -2.358 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -4.242 -14.058 -2.397 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -2.415 -13.086 -1.668 1.00 0.00 O ATOM 0 HA ASP A 86 -4.048 -12.407 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.348 -10.977 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.874 -11.696 -3.153 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.390 -9.691 -4.298 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.228 -8.255 -4.525 1.00 0.00 C ATOM 1146 C ILE A 87 -0.746 -7.857 -4.528 1.00 0.00 C ATOM 1147 O ILE A 87 -0.051 -7.975 -3.516 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.038 -7.454 -3.462 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.363 -6.140 -3.056 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.337 -8.298 -2.238 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.758 -4.969 -3.918 1.00 0.00 C ATOM 0 H ILE A 87 -1.911 -10.034 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.623 -8.009 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.980 -7.191 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.613 -5.918 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.281 -6.267 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.903 -7.707 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.922 -9.170 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.401 -8.625 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.242 -4.073 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.483 -5.170 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.835 -4.816 -3.852 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.267 -7.419 -5.693 1.00 0.00 N ATOM 1163 CA PHE A 88 1.127 -7.000 -5.858 1.00 0.00 C ATOM 1164 C PHE A 88 1.244 -5.523 -6.222 1.00 0.00 C ATOM 1165 O PHE A 88 0.512 -5.020 -7.071 1.00 0.00 O ATOM 1166 CB PHE A 88 1.852 -7.853 -6.912 1.00 0.00 C ATOM 1167 CG PHE A 88 1.027 -8.274 -8.110 1.00 0.00 C ATOM 1168 CD1 PHE A 88 0.103 -7.421 -8.701 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.195 -9.539 -8.650 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.631 -7.824 -9.802 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.463 -9.946 -9.749 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.452 -9.089 -10.324 1.00 0.00 C ATOM 0 H PHE A 88 -0.828 -7.345 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 88 1.607 -7.152 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.717 -7.294 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.232 -8.751 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.044 -6.431 -8.296 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.909 -10.217 -8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.344 -7.149 -10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.607 -10.935 -10.158 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.027 -9.407 -11.181 1.00 0.00 H new ATOM 1181 N LEU A 89 2.157 -4.830 -5.552 1.00 0.00 N ATOM 1182 CA LEU A 89 2.413 -3.417 -5.813 1.00 0.00 C ATOM 1183 C LEU A 89 3.862 -3.190 -6.187 1.00 0.00 C ATOM 1184 O LEU A 89 4.649 -2.709 -5.365 1.00 0.00 O ATOM 1185 CB LEU A 89 2.087 -2.571 -4.584 1.00 0.00 C ATOM 1186 CG LEU A 89 0.651 -2.104 -4.472 1.00 0.00 C ATOM 1187 CD1 LEU A 89 0.318 -1.133 -5.582 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.289 -3.268 -4.507 1.00 0.00 C ATOM 0 H LEU A 89 2.739 -5.229 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 89 1.772 -3.119 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.333 -3.148 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.736 -1.695 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 89 0.536 -1.593 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.718 -0.809 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.976 -0.267 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.455 -1.622 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.315 -2.910 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.167 -3.806 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.071 -3.937 -3.675 1.00 0.00 H new ATOM 1199 N ASP A 90 4.216 -3.575 -7.412 1.00 0.00 N ATOM 1200 CA ASP A 90 5.574 -3.399 -7.944 1.00 0.00 C ATOM 1201 C ASP A 90 6.543 -4.380 -7.281 1.00 0.00 C ATOM 1202 O ASP A 90 7.642 -4.637 -7.781 1.00 0.00 O ATOM 1203 CB ASP A 90 6.037 -1.944 -7.770 1.00 0.00 C ATOM 1204 CG ASP A 90 7.371 -1.654 -8.420 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.561 -2.020 -9.598 1.00 0.00 O ATOM 1206 OD2 ASP A 90 8.222 -1.024 -7.764 1.00 0.00 O ATOM 0 H ASP A 90 3.572 -4.018 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 90 5.562 -3.617 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.284 -1.278 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.103 -1.717 -6.706 1.00 0.00 H new ATOM 1210 N ASP A 91 6.101 -4.920 -6.148 1.00 0.00 N ATOM 1211 CA ASP A 91 6.774 -6.006 -5.448 1.00 0.00 C ATOM 1212 C ASP A 91 8.177 -5.593 -4.994 1.00 0.00 C ATOM 1213 O ASP A 91 9.087 -6.408 -4.871 1.00 0.00 O ATOM 1214 CB ASP A 91 6.788 -7.257 -6.338 1.00 0.00 C ATOM 1215 CG ASP A 91 7.461 -8.463 -5.702 1.00 0.00 C ATOM 1216 OD1 ASP A 91 6.999 -8.915 -4.640 1.00 0.00 O ATOM 1217 OD2 ASP A 91 8.463 -8.959 -6.264 1.00 0.00 O ATOM 0 H ASP A 91 5.248 -4.607 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 91 6.222 -6.245 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.761 -7.520 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.298 -7.020 -7.272 1.00 0.00 H new ATOM 1221 N VAL A 92 8.346 -4.310 -4.728 1.00 0.00 N ATOM 1222 CA VAL A 92 9.588 -3.820 -4.153 1.00 0.00 C ATOM 1223 C VAL A 92 9.325 -2.538 -3.370 1.00 0.00 C ATOM 1224 O VAL A 92 10.168 -1.653 -3.272 1.00 0.00 O ATOM 1225 CB VAL A 92 10.669 -3.603 -5.241 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.351 -2.412 -6.130 1.00 0.00 C ATOM 1227 CG2 VAL A 92 12.053 -3.472 -4.624 1.00 0.00 C ATOM 0 H VAL A 92 7.643 -3.591 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 92 9.974 -4.575 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 92 10.666 -4.489 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.135 -2.297 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.395 -2.575 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.294 -1.509 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.790 -3.321 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 92 12.069 -2.620 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.293 -4.381 -4.073 1.00 0.00 H new ATOM 1237 N THR A 93 8.142 -2.459 -2.784 1.00 0.00 N ATOM 1238 CA THR A 93 7.751 -1.275 -2.034 1.00 0.00 C ATOM 1239 C THR A 93 7.146 -1.633 -0.672 1.00 0.00 C ATOM 1240 O THR A 93 6.925 -0.759 0.168 1.00 0.00 O ATOM 1241 CB THR A 93 6.703 -0.475 -2.815 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.537 -1.290 -2.983 1.00 0.00 O ATOM 1243 CG2 THR A 93 7.201 -0.055 -4.190 1.00 0.00 C ATOM 0 H THR A 93 7.438 -3.196 -2.812 1.00 0.00 H new ATOM 0 HA THR A 93 8.657 -0.688 -1.881 1.00 0.00 H new ATOM 0 HB THR A 93 6.484 0.430 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.962 -0.900 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.422 0.509 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.088 0.569 -4.081 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.451 -0.942 -4.773 1.00 0.00 H new ATOM 1251 N VAL A 94 6.881 -2.921 -0.449 1.00 0.00 N ATOM 1252 CA VAL A 94 6.179 -3.359 0.755 1.00 0.00 C ATOM 1253 C VAL A 94 6.856 -4.603 1.341 1.00 0.00 C ATOM 1254 O VAL A 94 7.593 -5.290 0.642 1.00 0.00 O ATOM 1255 CB VAL A 94 4.703 -3.685 0.439 1.00 0.00 C ATOM 1256 CG1 VAL A 94 3.832 -3.553 1.675 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.173 -2.808 -0.686 1.00 0.00 C ATOM 0 H VAL A 94 7.141 -3.675 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 94 6.217 -2.547 1.481 1.00 0.00 H new ATOM 0 HB VAL A 94 4.663 -4.722 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.799 -3.789 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.182 -4.243 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.888 -2.532 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.132 -3.061 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.242 -1.760 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.765 -2.973 -1.586 1.00 0.00 H new ATOM 1267 N SER A 95 6.622 -4.882 2.624 1.00 0.00 N ATOM 1268 CA SER A 95 7.211 -6.056 3.270 1.00 0.00 C ATOM 1269 C SER A 95 6.306 -7.256 3.066 1.00 0.00 C ATOM 1270 O SER A 95 5.592 -7.669 3.983 1.00 0.00 O ATOM 1271 CB SER A 95 7.446 -5.797 4.763 1.00 0.00 C ATOM 1272 OG SER A 95 8.247 -6.816 5.342 1.00 0.00 O ATOM 0 H SER A 95 6.032 -4.315 3.233 1.00 0.00 H new ATOM 0 HA SER A 95 8.180 -6.262 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.932 -4.830 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.488 -5.746 5.281 1.00 0.00 H new ATOM 0 HG SER A 95 8.382 -6.625 6.294 1.00 0.00 H new ATOM 1277 N ARG A 96 6.368 -7.815 1.859 1.00 0.00 N ATOM 1278 CA ARG A 96 5.356 -8.775 1.367 1.00 0.00 C ATOM 1279 C ARG A 96 3.942 -8.167 1.361 1.00 0.00 C ATOM 1280 O ARG A 96 3.267 -8.142 0.340 1.00 0.00 O ATOM 1281 CB ARG A 96 5.315 -10.091 2.170 1.00 0.00 C ATOM 1282 CG ARG A 96 3.897 -10.650 2.234 1.00 0.00 C ATOM 1283 CD ARG A 96 3.773 -12.098 1.812 1.00 0.00 C ATOM 1284 NE ARG A 96 4.414 -12.350 0.539 1.00 0.00 N ATOM 1285 CZ ARG A 96 4.938 -13.533 0.187 1.00 0.00 C ATOM 1286 NH1 ARG A 96 4.922 -14.549 1.038 1.00 0.00 N ATOM 1287 NH2 ARG A 96 5.504 -13.685 -1.002 1.00 0.00 N ATOM 0 H ARG A 96 7.114 -7.623 1.190 1.00 0.00 H new ATOM 0 HA ARG A 96 5.669 -9.004 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.978 -10.823 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.687 -9.917 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.526 -10.549 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.252 -10.043 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.218 -12.737 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.719 -12.367 1.746 1.00 0.00 H new ATOM 0 HE ARG A 96 4.470 -11.582 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.510 -14.432 1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.321 -15.448 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.542 -12.900 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.902 -14.586 -1.266 1.00 0.00 H new ATOM 1298 N ARG A 97 3.476 -7.746 2.516 1.00 0.00 N ATOM 1299 CA ARG A 97 2.150 -7.181 2.645 1.00 0.00 C ATOM 1300 C ARG A 97 2.135 -6.056 3.652 1.00 0.00 C ATOM 1301 O ARG A 97 2.771 -6.122 4.701 1.00 0.00 O ATOM 1302 CB ARG A 97 1.127 -8.256 3.044 1.00 0.00 C ATOM 1303 CG ARG A 97 1.580 -9.175 4.169 1.00 0.00 C ATOM 1304 CD ARG A 97 0.450 -10.081 4.637 1.00 0.00 C ATOM 1305 NE ARG A 97 0.914 -11.428 4.970 1.00 0.00 N ATOM 1306 CZ ARG A 97 1.487 -11.767 6.129 1.00 0.00 C ATOM 1307 NH1 ARG A 97 1.696 -10.857 7.074 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.858 -13.021 6.337 1.00 0.00 N ATOM 0 H ARG A 97 4.002 -7.785 3.389 1.00 0.00 H new ATOM 0 HA ARG A 97 1.870 -6.780 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.202 -7.765 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.896 -8.862 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.418 -9.783 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.939 -8.577 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.028 -9.638 5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.308 -10.144 3.856 1.00 0.00 H new ATOM 0 HE ARG A 97 0.792 -12.159 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.418 -9.888 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.134 -11.127 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.706 -13.724 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.296 -13.284 7.220 1.00 0.00 H new ATOM 1319 N HIS A 98 1.430 -5.005 3.283 1.00 0.00 N ATOM 1320 CA HIS A 98 1.136 -3.918 4.190 1.00 0.00 C ATOM 1321 C HIS A 98 0.067 -4.398 5.134 1.00 0.00 C ATOM 1322 O HIS A 98 0.073 -4.117 6.326 1.00 0.00 O ATOM 1323 CB HIS A 98 0.648 -2.686 3.400 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.821 -2.365 3.552 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.287 -1.468 4.484 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.926 -2.819 2.885 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.597 -1.377 4.394 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -3.013 -2.184 3.437 1.00 0.00 N ATOM 0 H HIS A 98 1.046 -4.882 2.346 1.00 0.00 H new ATOM 0 HA HIS A 98 2.027 -3.623 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.228 -1.819 3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.862 -2.844 2.343 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.706 -0.952 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.941 -3.538 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.227 -0.746 5.003 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.846 -5.138 4.545 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.977 -5.660 5.241 1.00 0.00 C ATOM 1338 C ALA A 99 -2.483 -6.861 4.500 1.00 0.00 C ATOM 1339 O ALA A 99 -2.325 -6.956 3.287 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.080 -4.621 5.372 1.00 0.00 C ATOM 0 H ALA A 99 -0.814 -5.391 3.557 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.673 -5.939 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.925 -5.053 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.704 -3.759 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.402 -4.305 4.380 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.043 -7.781 5.222 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.689 -8.907 4.615 1.00 0.00 C ATOM 1348 C GLU A 100 -5.182 -8.759 4.777 1.00 0.00 C ATOM 1349 O GLU A 100 -5.667 -8.376 5.848 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.162 -10.210 5.222 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.141 -10.210 6.737 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.490 -11.447 7.302 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -3.198 -12.451 7.508 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -1.277 -11.409 7.576 1.00 0.00 O ATOM 0 H GLU A 100 -3.067 -7.775 6.242 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.466 -8.945 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.780 -11.038 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.152 -10.390 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.607 -9.328 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.162 -10.136 7.112 1.00 0.00 H new ATOM 1359 N PHE A 101 -5.891 -8.979 3.681 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.327 -8.938 3.675 1.00 0.00 C ATOM 1361 C PHE A 101 -7.816 -9.926 4.689 1.00 0.00 C ATOM 1362 O PHE A 101 -7.731 -11.130 4.497 1.00 0.00 O ATOM 1363 CB PHE A 101 -7.862 -9.245 2.274 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.122 -10.064 2.263 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.229 -9.708 3.027 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.191 -11.201 1.489 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.371 -10.468 3.009 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.330 -11.963 1.470 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.422 -11.597 2.230 1.00 0.00 C ATOM 0 H PHE A 101 -5.477 -9.191 2.773 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.689 -7.944 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.048 -8.305 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.093 -9.774 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.189 -8.821 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.340 -11.495 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.225 -10.180 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.373 -12.852 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.318 -12.200 2.212 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.284 -9.407 5.781 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.694 -10.241 6.859 1.00 0.00 C ATOM 1380 C ARG A 102 -10.211 -10.326 6.890 1.00 0.00 C ATOM 1381 O ARG A 102 -10.878 -9.369 7.296 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.179 -9.679 8.182 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.476 -10.559 9.381 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.704 -11.861 9.306 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.273 -11.633 9.112 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.381 -11.628 10.113 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -5.783 -11.685 11.376 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.087 -11.555 9.851 1.00 0.00 N ATOM 0 H ARG A 102 -8.391 -8.406 5.946 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.280 -11.239 6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.101 -9.533 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.623 -8.697 8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.215 -10.030 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.545 -10.768 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.861 -12.430 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.090 -12.466 8.486 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.935 -11.469 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.779 -11.733 11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.097 -11.681 12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.764 -11.502 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.411 -11.551 10.615 1.00 0.00 H new ATOM 1399 N LEU A 103 -10.763 -11.437 6.442 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.204 -11.593 6.460 1.00 0.00 C ATOM 1401 C LEU A 103 -12.662 -12.135 7.810 1.00 0.00 C ATOM 1402 O LEU A 103 -12.392 -13.283 8.161 1.00 0.00 O ATOM 1403 CB LEU A 103 -12.686 -12.494 5.316 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.197 -12.431 5.033 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.496 -12.813 3.597 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -14.968 -13.333 5.971 1.00 0.00 C ATOM 0 H LEU A 103 -10.246 -12.232 6.067 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.651 -10.610 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.149 -12.221 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.417 -13.525 5.547 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.515 -11.402 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.571 -12.760 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.985 -12.125 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.147 -13.829 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.033 -13.267 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.633 -14.362 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.794 -13.021 7.001 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.343 -11.286 8.565 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.933 -11.673 9.837 1.00 0.00 C ATOM 1419 C GLU A 104 -15.389 -11.251 9.861 1.00 0.00 C ATOM 1420 O GLU A 104 -15.713 -10.133 9.458 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.198 -11.031 11.014 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.809 -11.585 11.250 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.180 -11.031 12.508 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -11.436 -11.581 13.599 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -10.422 -10.044 12.415 1.00 0.00 O ATOM 0 H GLU A 104 -13.502 -10.310 8.313 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.850 -12.755 9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.125 -9.957 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.791 -11.169 11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.860 -12.672 11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.175 -11.349 10.395 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.256 -12.146 10.324 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.699 -11.898 10.347 1.00 0.00 C ATOM 1432 C ASN A 105 -18.205 -11.590 8.945 1.00 0.00 C ATOM 1433 O ASN A 105 -19.071 -10.736 8.755 1.00 0.00 O ATOM 1434 CB ASN A 105 -18.060 -10.748 11.299 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.759 -11.069 12.750 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -18.574 -11.681 13.441 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -16.606 -10.633 13.233 1.00 0.00 N ATOM 0 H ASN A 105 -15.984 -13.058 10.692 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.183 -12.803 10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.508 -9.854 11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.120 -10.516 11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.366 -10.800 14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.957 -10.130 12.628 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.636 -12.293 7.967 1.00 0.00 N ATOM 1444 CA ASN A 106 -17.969 -12.113 6.550 1.00 0.00 C ATOM 1445 C ASN A 106 -17.582 -10.728 6.043 1.00 0.00 C ATOM 1446 O ASN A 106 -17.981 -10.329 4.949 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.454 -12.357 6.282 1.00 0.00 C ATOM 1448 CG ASN A 106 -19.858 -13.806 6.464 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.298 -14.217 7.541 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -19.698 -14.596 5.413 1.00 0.00 N ATOM 0 H ASN A 106 -16.927 -13.007 8.133 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.386 -12.856 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.046 -11.734 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -19.690 -12.045 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.942 -15.584 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.331 -14.216 4.541 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.798 -9.999 6.823 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.382 -8.669 6.430 1.00 0.00 C ATOM 1458 C GLU A 107 -14.926 -8.647 6.008 1.00 0.00 C ATOM 1459 O GLU A 107 -14.095 -9.358 6.570 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.598 -7.674 7.568 1.00 0.00 C ATOM 1461 CG GLU A 107 -18.055 -7.454 7.933 1.00 0.00 C ATOM 1462 CD GLU A 107 -18.226 -6.459 9.063 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -17.969 -5.256 8.847 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -18.632 -6.870 10.166 1.00 0.00 O ATOM 0 H GLU A 107 -16.440 -10.308 7.727 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.996 -8.378 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.063 -8.026 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.157 -6.717 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.596 -7.099 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.502 -8.406 8.220 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.630 -7.818 5.023 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.278 -7.679 4.514 1.00 0.00 C ATOM 1471 C PHE A 108 -12.606 -6.496 5.186 1.00 0.00 C ATOM 1472 O PHE A 108 -13.140 -5.390 5.188 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.293 -7.492 2.992 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.611 -7.869 2.369 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.859 -9.181 1.989 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.605 -6.922 2.187 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -16.072 -9.536 1.430 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.820 -7.271 1.626 1.00 0.00 C ATOM 1479 CZ PHE A 108 -17.055 -8.581 1.250 1.00 0.00 C ATOM 0 H PHE A 108 -15.316 -7.225 4.556 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.717 -8.586 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.070 -6.451 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.501 -8.096 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.096 -9.932 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.429 -5.899 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.252 -10.559 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.584 -6.522 1.482 1.00 0.00 H new ATOM 0 HZ PHE A 108 -18.005 -8.857 0.817 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.448 -6.740 5.764 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.741 -5.727 6.537 1.00 0.00 C ATOM 1490 C ASN A 109 -9.272 -5.770 6.153 1.00 0.00 C ATOM 1491 O ASN A 109 -8.824 -6.751 5.558 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.864 -6.020 8.040 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.293 -6.245 8.495 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.971 -5.326 8.951 1.00 0.00 O ATOM 1495 ND2 ASN A 109 -12.764 -7.477 8.380 1.00 0.00 N ATOM 0 H ASN A 109 -10.969 -7.639 5.715 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.172 -4.748 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.271 -6.902 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.439 -5.188 8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -13.718 -7.688 8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.173 -8.215 7.997 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.518 -4.732 6.475 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.083 -4.773 6.247 1.00 0.00 C ATOM 1503 C VAL A 110 -6.328 -4.817 7.558 1.00 0.00 C ATOM 1504 O VAL A 110 -6.482 -3.946 8.404 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.583 -3.591 5.385 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.422 -3.496 4.150 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.597 -2.262 6.129 1.00 0.00 C ATOM 0 H VAL A 110 -8.866 -3.866 6.887 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.885 -5.688 5.689 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.543 -3.791 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.075 -2.664 3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.341 -4.423 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.463 -3.331 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.235 -1.472 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.615 -2.033 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.951 -2.328 7.005 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.519 -5.839 7.728 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.712 -5.957 8.930 1.00 0.00 C ATOM 1519 C VAL A 111 -3.291 -5.524 8.640 1.00 0.00 C ATOM 1520 O VAL A 111 -2.561 -6.218 7.930 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.707 -7.402 9.478 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.598 -7.596 10.504 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.056 -7.741 10.087 1.00 0.00 C ATOM 0 H VAL A 111 -5.400 -6.597 7.056 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.153 -5.309 9.688 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.518 -8.078 8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.618 -8.622 10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.633 -7.397 10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.748 -6.908 11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.037 -8.762 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.270 -7.052 10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.831 -7.653 9.326 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.898 -4.386 9.201 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.549 -3.874 8.997 1.00 0.00 C ATOM 1535 C ASP A 112 -0.564 -4.795 9.702 1.00 0.00 C ATOM 1536 O ASP A 112 -0.735 -5.102 10.883 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.391 -2.448 9.531 1.00 0.00 C ATOM 1538 CG ASP A 112 0.058 -1.977 9.484 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.651 -1.955 8.383 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.612 -1.629 10.547 1.00 0.00 O ATOM 0 H ASP A 112 -3.489 -3.805 9.796 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.352 -3.846 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.011 -1.771 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.753 -2.403 10.558 1.00 0.00 H new ATOM 1544 N VAL A 113 0.451 -5.243 8.989 1.00 0.00 N ATOM 1545 CA VAL A 113 1.395 -6.198 9.541 1.00 0.00 C ATOM 1546 C VAL A 113 2.801 -5.666 9.398 1.00 0.00 C ATOM 1547 O VAL A 113 3.779 -6.374 9.640 1.00 0.00 O ATOM 1548 CB VAL A 113 1.290 -7.577 8.854 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.035 -8.244 9.188 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.456 -7.440 7.349 1.00 0.00 C ATOM 0 H VAL A 113 0.644 -4.962 8.028 1.00 0.00 H new ATOM 0 HA VAL A 113 1.151 -6.332 10.595 1.00 0.00 H new ATOM 0 HB VAL A 113 2.095 -8.208 9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.089 -9.214 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.112 -8.381 10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.856 -7.615 8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.379 -8.423 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.676 -6.789 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.433 -7.010 7.128 1.00 0.00 H new ATOM 1560 N GLY A 114 2.895 -4.407 9.005 1.00 0.00 N ATOM 1561 CA GLY A 114 4.184 -3.811 8.805 1.00 0.00 C ATOM 1562 C GLY A 114 4.450 -3.494 7.352 1.00 0.00 C ATOM 1563 O GLY A 114 5.242 -4.173 6.695 1.00 0.00 O ATOM 0 H GLY A 114 2.101 -3.794 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.254 -2.896 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.955 -4.487 9.174 1.00 0.00 H new ATOM 1567 N SER A 115 3.767 -2.483 6.842 1.00 0.00 N ATOM 1568 CA SER A 115 3.999 -2.010 5.489 1.00 0.00 C ATOM 1569 C SER A 115 5.386 -1.388 5.391 1.00 0.00 C ATOM 1570 O SER A 115 5.775 -0.627 6.273 1.00 0.00 O ATOM 1571 CB SER A 115 2.925 -0.993 5.112 1.00 0.00 C ATOM 1572 OG SER A 115 3.146 -0.433 3.828 1.00 0.00 O ATOM 0 H SER A 115 3.044 -1.972 7.348 1.00 0.00 H new ATOM 0 HA SER A 115 3.946 -2.848 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.947 -1.475 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.904 -0.196 5.856 1.00 0.00 H new ATOM 0 HG SER A 115 3.101 0.544 3.885 1.00 0.00 H new ATOM 1577 N LEU A 116 6.128 -1.719 4.336 1.00 0.00 N ATOM 1578 CA LEU A 116 7.543 -1.353 4.251 1.00 0.00 C ATOM 1579 C LEU A 116 7.765 0.149 4.481 1.00 0.00 C ATOM 1580 O LEU A 116 8.526 0.527 5.372 1.00 0.00 O ATOM 1581 CB LEU A 116 8.104 -1.800 2.902 1.00 0.00 C ATOM 1582 CG LEU A 116 9.628 -1.840 2.781 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.166 -0.501 2.324 1.00 0.00 C ATOM 1584 CD2 LEU A 116 10.269 -2.255 4.099 1.00 0.00 C ATOM 0 H LEU A 116 5.776 -2.237 3.531 1.00 0.00 H new ATOM 0 HA LEU A 116 8.080 -1.867 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.717 -2.795 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 116 7.717 -1.132 2.132 1.00 0.00 H new ATOM 0 HG LEU A 116 9.886 -2.586 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.252 -0.553 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.743 -0.252 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.891 0.267 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.353 -2.276 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.999 -1.540 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.915 -3.247 4.380 1.00 0.00 H new ATOM 1595 N ASN A 117 7.101 0.995 3.696 1.00 0.00 N ATOM 1596 CA ASN A 117 7.134 2.439 3.944 1.00 0.00 C ATOM 1597 C ASN A 117 6.228 2.783 5.128 1.00 0.00 C ATOM 1598 O ASN A 117 6.551 3.642 5.948 1.00 0.00 O ATOM 1599 CB ASN A 117 6.669 3.220 2.716 1.00 0.00 C ATOM 1600 CG ASN A 117 5.536 4.189 3.030 1.00 0.00 C ATOM 1601 OD1 ASN A 117 4.311 3.825 2.652 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 5.765 5.264 3.581 1.00 0.00 N flip ATOM 0 H ASN A 117 6.540 0.713 2.892 1.00 0.00 H new ATOM 0 HA ASN A 117 8.164 2.718 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.512 3.774 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.340 2.520 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.718 5.504 3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.002 5.916 3.765 1.00 0.00 H new ATOM 1608 N GLY A 118 5.099 2.083 5.216 1.00 0.00 N ATOM 1609 CA GLY A 118 4.088 2.407 6.202 1.00 0.00 C ATOM 1610 C GLY A 118 2.676 2.223 5.659 1.00 0.00 C ATOM 1611 O GLY A 118 2.483 2.057 4.437 1.00 0.00 O ATOM 0 H GLY A 118 4.868 1.292 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.223 1.775 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.219 3.439 6.529 1.00 0.00 H new ATOM 1615 N THR A 119 1.712 2.172 6.576 1.00 0.00 N ATOM 1616 CA THR A 119 0.294 2.074 6.246 1.00 0.00 C ATOM 1617 C THR A 119 -0.453 3.359 6.616 1.00 0.00 C ATOM 1618 O THR A 119 -0.229 3.930 7.686 1.00 0.00 O ATOM 1619 CB THR A 119 -0.349 0.872 6.976 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.160 -0.357 6.436 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.868 0.889 6.866 1.00 0.00 C ATOM 0 H THR A 119 1.897 2.198 7.579 1.00 0.00 H new ATOM 0 HA THR A 119 0.216 1.926 5.169 1.00 0.00 H new ATOM 0 HB THR A 119 -0.089 0.949 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.056 -1.073 7.097 1.00 0.00 H new ATOM 0 HG21 THR A 119 -2.281 0.028 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.255 1.806 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 119 -2.157 0.845 5.816 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.339 3.807 5.734 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.164 4.976 6.010 1.00 0.00 C ATOM 1631 C TYR A 120 -3.594 4.744 5.519 1.00 0.00 C ATOM 1632 O TYR A 120 -3.864 4.832 4.332 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.564 6.197 5.311 1.00 0.00 C ATOM 1634 CG TYR A 120 -1.471 7.428 6.180 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -0.945 7.356 7.463 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -1.893 8.662 5.711 1.00 0.00 C ATOM 1637 CE1 TYR A 120 -0.844 8.483 8.255 1.00 0.00 C ATOM 1638 CE2 TYR A 120 -1.792 9.795 6.495 1.00 0.00 C ATOM 1639 CZ TYR A 120 -1.268 9.700 7.766 1.00 0.00 C ATOM 1640 OH TYR A 120 -1.160 10.827 8.546 1.00 0.00 O ATOM 0 H TYR A 120 -1.504 3.379 4.823 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.190 5.149 7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.566 5.943 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.167 6.431 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -0.610 6.404 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.307 8.739 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.435 8.411 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -2.122 10.750 6.114 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.503 11.601 8.052 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.514 4.470 6.431 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.894 4.168 6.054 1.00 0.00 C ATOM 1651 C VAL A 121 -6.821 5.270 6.530 1.00 0.00 C ATOM 1652 O VAL A 121 -6.881 5.554 7.716 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.367 2.823 6.648 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.793 2.500 6.222 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.434 1.705 6.239 1.00 0.00 C ATOM 0 H VAL A 121 -4.335 4.449 7.435 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.924 4.097 4.967 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.352 2.916 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.096 1.547 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.463 3.286 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.842 2.435 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.783 0.765 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.417 1.625 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.429 1.918 6.603 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.537 5.892 5.602 1.00 0.00 N ATOM 1666 CA ASN A 122 -8.452 6.988 5.938 1.00 0.00 C ATOM 1667 C ASN A 122 -7.655 8.136 6.557 1.00 0.00 C ATOM 1668 O ASN A 122 -8.108 8.801 7.491 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.550 6.529 6.923 1.00 0.00 C ATOM 1670 CG ASN A 122 -10.096 5.134 6.641 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.139 4.740 5.376 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -10.493 4.414 7.560 1.00 0.00 N flip ATOM 0 H ASN A 122 -7.505 5.660 4.609 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.941 7.318 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -9.147 6.552 7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -10.373 7.243 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.447 4.745 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -10.867 3.487 7.357 1.00 0.00 H new ATOM 1678 N ARG A 123 -6.442 8.339 6.030 1.00 0.00 N ATOM 1679 CA ARG A 123 -5.510 9.349 6.536 1.00 0.00 C ATOM 1680 C ARG A 123 -5.065 9.067 7.978 1.00 0.00 C ATOM 1681 O ARG A 123 -4.630 9.980 8.678 1.00 0.00 O ATOM 1682 CB ARG A 123 -6.110 10.760 6.446 1.00 0.00 C ATOM 1683 CG ARG A 123 -6.468 11.186 5.033 1.00 0.00 C ATOM 1684 CD ARG A 123 -6.921 12.637 4.983 1.00 0.00 C ATOM 1685 NE ARG A 123 -5.853 13.557 5.370 1.00 0.00 N ATOM 1686 CZ ARG A 123 -5.946 14.885 5.302 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -7.059 15.463 4.856 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -4.916 15.632 5.674 1.00 0.00 N ATOM 0 H ARG A 123 -6.080 7.806 5.239 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.629 9.295 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -7.005 10.804 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -5.399 11.474 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -5.604 11.051 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -7.260 10.544 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -7.259 12.877 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -7.775 12.773 5.646 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.980 13.157 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.850 14.889 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.121 16.480 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.060 15.190 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.979 16.649 5.625 1.00 0.00 H new ATOM 1699 N GLU A 124 -5.166 7.813 8.423 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.719 7.442 9.768 1.00 0.00 C ATOM 1701 C GLU A 124 -4.230 5.988 9.802 1.00 0.00 C ATOM 1702 O GLU A 124 -4.683 5.151 9.030 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.857 7.641 10.779 1.00 0.00 C ATOM 1704 CG GLU A 124 -7.070 6.764 10.513 1.00 0.00 C ATOM 1705 CD GLU A 124 -8.212 7.031 11.469 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -9.028 7.935 11.190 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.311 6.328 12.497 1.00 0.00 O ATOM 0 H GLU A 124 -5.550 7.042 7.877 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.885 8.089 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.482 7.433 11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.165 8.686 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.413 6.927 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.778 5.717 10.588 1.00 0.00 H new ATOM 1712 N PRO A 125 -3.253 5.679 10.660 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.803 4.304 10.868 1.00 0.00 C ATOM 1714 C PRO A 125 -3.892 3.441 11.509 1.00 0.00 C ATOM 1715 O PRO A 125 -4.405 3.777 12.577 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.608 4.441 11.821 1.00 0.00 C ATOM 1717 CG PRO A 125 -1.221 5.878 11.766 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.475 6.637 11.447 1.00 0.00 C ATOM 0 HA PRO A 125 -2.551 3.815 9.927 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.878 4.145 12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.783 3.800 11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.800 6.204 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.459 6.047 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.004 6.940 12.351 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.264 7.545 10.882 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.251 2.339 10.856 1.00 0.00 N ATOM 1724 CA VAL A 126 -5.249 1.420 11.397 1.00 0.00 C ATOM 1725 C VAL A 126 -4.660 0.024 11.536 1.00 0.00 C ATOM 1726 O VAL A 126 -3.710 -0.330 10.837 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.521 1.331 10.514 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -7.058 2.718 10.184 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -6.255 0.529 9.243 1.00 0.00 C ATOM 0 H VAL A 126 -3.867 2.061 9.953 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.536 1.817 12.371 1.00 0.00 H new ATOM 0 HB VAL A 126 -7.285 0.804 11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.950 2.625 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.311 3.239 11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.298 3.283 9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -7.165 0.484 8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.465 1.011 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.945 -0.482 9.509 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.226 -0.755 12.444 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.818 -2.140 12.630 1.00 0.00 C ATOM 1741 C ASP A 127 -5.593 -3.057 11.697 1.00 0.00 C ATOM 1742 O ASP A 127 -5.014 -3.913 11.037 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.038 -2.576 14.079 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.072 -1.918 15.038 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -4.317 -0.758 15.432 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -3.058 -2.550 15.401 1.00 0.00 O ATOM 0 H ASP A 127 -5.974 -0.450 13.067 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.756 -2.212 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -6.059 -2.336 14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.932 -3.659 14.149 1.00 0.00 H new ATOM 1750 N SER A 128 -6.908 -2.869 11.649 1.00 0.00 N ATOM 1751 CA SER A 128 -7.775 -3.687 10.807 1.00 0.00 C ATOM 1752 C SER A 128 -9.051 -2.930 10.449 1.00 0.00 C ATOM 1753 O SER A 128 -10.040 -2.958 11.183 1.00 0.00 O ATOM 1754 CB SER A 128 -8.081 -5.008 11.517 1.00 0.00 C ATOM 1755 OG SER A 128 -8.415 -4.796 12.882 1.00 0.00 O ATOM 0 H SER A 128 -7.399 -2.154 12.186 1.00 0.00 H new ATOM 0 HA SER A 128 -7.262 -3.911 9.872 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.906 -5.512 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.216 -5.668 11.450 1.00 0.00 H new ATOM 0 HG SER A 128 -9.110 -4.108 12.946 1.00 0.00 H new ATOM 1760 N ALA A 129 -9.011 -2.237 9.318 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.142 -1.441 8.863 1.00 0.00 C ATOM 1762 C ALA A 129 -10.916 -2.154 7.774 1.00 0.00 C ATOM 1763 O ALA A 129 -10.337 -2.683 6.825 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.674 -0.081 8.375 1.00 0.00 C ATOM 0 H ALA A 129 -8.203 -2.211 8.697 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.811 -1.299 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.533 0.500 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.175 0.446 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.978 -0.212 7.547 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.227 -2.165 7.936 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.124 -2.804 6.992 1.00 0.00 C ATOM 1772 C VAL A 130 -13.285 -1.947 5.738 1.00 0.00 C ATOM 1773 O VAL A 130 -13.164 -0.718 5.778 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.502 -3.055 7.644 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.094 -1.747 8.115 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -15.454 -3.776 6.696 1.00 0.00 C ATOM 0 H VAL A 130 -12.700 -1.730 8.728 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.691 -3.762 6.704 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.356 -3.708 8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.065 -1.932 8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -14.428 -1.289 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.216 -1.076 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -16.412 -3.934 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -15.604 -3.171 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -15.028 -4.739 6.416 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.515 -2.624 4.629 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.730 -1.982 3.337 1.00 0.00 C ATOM 1788 C LEU A 131 -15.011 -1.162 3.324 1.00 0.00 C ATOM 1789 O LEU A 131 -16.069 -1.627 3.750 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.793 -3.029 2.220 1.00 0.00 C ATOM 1791 CG LEU A 131 -12.447 -3.541 1.704 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -11.581 -4.055 2.843 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -12.669 -4.625 0.664 1.00 0.00 C ATOM 0 H LEU A 131 -13.559 -3.642 4.594 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.887 -1.312 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -14.370 -3.881 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -14.343 -2.603 1.381 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.918 -2.710 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -10.631 -4.412 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.397 -3.248 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.093 -4.873 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -11.706 -4.984 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -13.219 -5.452 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.241 -4.218 -0.170 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.903 0.052 2.811 1.00 0.00 N ATOM 1805 CA ALA A 132 -16.035 0.947 2.699 1.00 0.00 C ATOM 1806 C ALA A 132 -16.158 1.449 1.266 1.00 0.00 C ATOM 1807 O ALA A 132 -15.414 1.016 0.393 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.895 2.110 3.671 1.00 0.00 C ATOM 0 H ALA A 132 -14.028 0.442 2.462 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.944 0.403 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.755 2.772 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.846 1.728 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.983 2.664 3.447 1.00 0.00 H new ATOM 1814 N ASN A 133 -17.105 2.339 1.019 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.340 2.844 -0.328 1.00 0.00 C ATOM 1816 C ASN A 133 -16.573 4.141 -0.576 1.00 0.00 C ATOM 1817 O ASN A 133 -16.957 5.195 -0.075 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.839 3.085 -0.550 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.148 3.677 -1.918 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.471 3.392 -2.902 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -20.168 4.519 -1.984 1.00 0.00 N ATOM 0 H ASN A 133 -17.724 2.728 1.731 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.983 2.092 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.374 2.142 -0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.212 3.756 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.413 4.954 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.708 4.732 -1.146 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.473 4.054 -1.322 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.820 5.255 -1.811 1.00 0.00 C ATOM 1829 C GLY A 134 -13.680 5.739 -0.938 1.00 0.00 C ATOM 1830 O GLY A 134 -12.955 6.657 -1.324 1.00 0.00 O ATOM 0 H GLY A 134 -15.026 3.179 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.440 5.066 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.561 6.050 -1.896 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.510 5.137 0.230 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.440 5.556 1.132 1.00 0.00 C ATOM 1836 C ASP A 135 -11.126 4.911 0.695 1.00 0.00 C ATOM 1837 O ASP A 135 -11.131 3.922 -0.045 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.764 5.198 2.582 1.00 0.00 C ATOM 1839 CG ASP A 135 -12.150 6.180 3.565 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -10.957 6.522 3.412 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -12.865 6.620 4.492 1.00 0.00 O ATOM 0 H ASP A 135 -14.087 4.369 0.574 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.343 6.640 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.845 5.179 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.398 4.194 2.797 1.00 0.00 H new ATOM 1845 N GLU A 136 -10.006 5.446 1.158 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.720 5.092 0.579 1.00 0.00 C ATOM 1847 C GLU A 136 -7.695 4.616 1.627 1.00 0.00 C ATOM 1848 O GLU A 136 -7.713 5.039 2.788 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.197 6.290 -0.232 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.730 7.462 0.607 1.00 0.00 C ATOM 1851 CD GLU A 136 -8.131 8.792 0.003 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -7.387 9.317 -0.852 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -9.210 9.306 0.369 1.00 0.00 O ATOM 0 H GLU A 136 -9.961 6.119 1.923 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.865 4.237 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -7.370 5.955 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.986 6.631 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.149 7.379 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.646 7.424 0.710 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.820 3.704 1.190 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.743 3.149 2.018 1.00 0.00 C ATOM 1860 C VAL A 137 -4.410 3.397 1.329 1.00 0.00 C ATOM 1861 O VAL A 137 -4.324 3.323 0.117 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.891 1.612 2.236 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.761 1.055 3.103 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.239 1.288 2.849 1.00 0.00 C ATOM 0 H VAL A 137 -6.839 3.327 0.243 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.796 3.641 2.989 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.826 1.133 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.898 -0.019 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.803 1.243 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.775 1.543 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.324 0.211 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.332 1.792 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.032 1.628 2.184 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.387 3.715 2.085 1.00 0.00 N ATOM 1875 CA GLN A 138 -2.055 3.830 1.528 1.00 0.00 C ATOM 1876 C GLN A 138 -1.223 2.637 1.964 1.00 0.00 C ATOM 1877 O GLN A 138 -1.210 2.270 3.143 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.390 5.137 1.967 1.00 0.00 C ATOM 1879 CG GLN A 138 -0.164 5.507 1.144 1.00 0.00 C ATOM 1880 CD GLN A 138 1.061 4.675 1.438 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.901 4.530 0.441 1.00 0.00 O flip ATOM 1882 NE2 GLN A 138 1.261 4.187 2.546 1.00 0.00 N flip ATOM 0 H GLN A 138 -3.448 3.899 3.086 1.00 0.00 H new ATOM 0 HA GLN A 138 -2.126 3.843 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -2.119 5.945 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.101 5.053 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -0.409 5.409 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.074 6.556 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 138 0.581 4.324 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.107 3.644 2.719 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.559 2.013 1.004 1.00 0.00 N ATOM 1890 CA ILE A 139 0.367 0.937 1.299 1.00 0.00 C ATOM 1891 C ILE A 139 1.615 1.092 0.461 1.00 0.00 C ATOM 1892 O ILE A 139 1.529 1.504 -0.691 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.244 -0.480 1.079 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.345 -1.223 -0.128 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.756 -0.427 0.966 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.215 -0.784 -1.455 1.00 0.00 C ATOM 0 H ILE A 139 -0.646 2.236 0.012 1.00 0.00 H new ATOM 0 HA ILE A 139 0.609 1.013 2.359 1.00 0.00 H new ATOM 0 HB ILE A 139 0.029 -1.048 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.426 -1.080 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.166 -2.291 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.145 -1.434 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.175 -0.011 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.036 0.202 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.253 -1.357 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -1.292 -0.953 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.012 0.277 -1.602 1.00 0.00 H new ATOM 1907 N GLY A 140 2.768 0.819 1.059 1.00 0.00 N ATOM 1908 CA GLY A 140 3.997 0.749 0.284 1.00 0.00 C ATOM 1909 C GLY A 140 4.454 2.109 -0.193 1.00 0.00 C ATOM 1910 O GLY A 140 5.420 2.644 0.312 1.00 0.00 O ATOM 0 H GLY A 140 2.877 0.646 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.781 0.297 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.845 0.097 -0.576 1.00 0.00 H new ATOM 1914 N LYS A 141 3.765 2.653 -1.183 1.00 0.00 N ATOM 1915 CA LYS A 141 3.972 4.022 -1.605 1.00 0.00 C ATOM 1916 C LYS A 141 2.913 4.431 -2.631 1.00 0.00 C ATOM 1917 O LYS A 141 3.139 5.296 -3.456 1.00 0.00 O ATOM 1918 CB LYS A 141 5.396 4.215 -2.133 1.00 0.00 C ATOM 1919 CG LYS A 141 5.778 3.460 -3.382 1.00 0.00 C ATOM 1920 CD LYS A 141 7.261 3.674 -3.643 1.00 0.00 C ATOM 1921 CE LYS A 141 7.687 3.175 -4.999 1.00 0.00 C ATOM 1922 NZ LYS A 141 9.168 3.113 -5.130 1.00 0.00 N ATOM 0 H LYS A 141 3.049 2.157 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 141 3.859 4.680 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.544 5.278 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.091 3.932 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.564 2.398 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 141 5.190 3.810 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.491 4.736 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.839 3.163 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 141 7.266 2.184 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.282 3.830 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 9.427 2.338 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.521 4.013 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.592 2.944 -4.196 1.00 0.00 H new ATOM 1932 N PHE A 142 1.739 3.816 -2.519 1.00 0.00 N ATOM 1933 CA PHE A 142 0.668 3.945 -3.510 1.00 0.00 C ATOM 1934 C PHE A 142 -0.600 4.364 -2.784 1.00 0.00 C ATOM 1935 O PHE A 142 -0.784 3.998 -1.622 1.00 0.00 O ATOM 1936 CB PHE A 142 0.411 2.584 -4.201 1.00 0.00 C ATOM 1937 CG PHE A 142 1.673 1.830 -4.475 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.430 1.372 -3.423 1.00 0.00 C ATOM 1939 CD2 PHE A 142 2.116 1.605 -5.761 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.601 0.703 -3.631 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.296 0.928 -5.981 1.00 0.00 C ATOM 1942 CZ PHE A 142 4.040 0.480 -4.917 1.00 0.00 C ATOM 0 H PHE A 142 1.500 3.210 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 142 0.954 4.680 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.240 1.978 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.119 2.751 -5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 142 2.091 1.545 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.536 1.961 -6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 142 4.181 0.350 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.636 0.750 -6.990 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.967 -0.046 -5.089 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.471 5.109 -3.439 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.740 5.448 -2.827 1.00 0.00 C ATOM 1953 C ARG A 143 -3.822 4.512 -3.342 1.00 0.00 C ATOM 1954 O ARG A 143 -4.081 4.443 -4.546 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.141 6.892 -3.100 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.121 7.421 -2.070 1.00 0.00 C ATOM 1957 CD ARG A 143 -5.090 8.421 -2.664 1.00 0.00 C ATOM 1958 NE ARG A 143 -4.435 9.619 -3.181 1.00 0.00 N ATOM 1959 CZ ARG A 143 -5.048 10.797 -3.261 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -6.219 10.978 -2.656 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -4.473 11.810 -3.896 1.00 0.00 N ATOM 0 H ARG A 143 -1.327 5.484 -4.376 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.626 5.335 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.250 7.519 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.587 6.962 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.678 6.589 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.571 7.891 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.647 7.943 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.815 8.711 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.467 9.550 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.646 10.214 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.690 11.881 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.556 11.688 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.948 12.711 -3.954 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.438 3.789 -2.431 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.450 2.806 -2.774 1.00 0.00 C ATOM 1974 C LEU A 144 -6.805 3.312 -2.360 1.00 0.00 C ATOM 1975 O LEU A 144 -6.901 4.219 -1.560 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.220 1.477 -2.050 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.911 0.751 -2.332 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.724 1.477 -1.726 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.995 -0.662 -1.799 1.00 0.00 C ATOM 0 H LEU A 144 -4.253 3.864 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.392 2.647 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.280 1.661 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.041 0.806 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.758 0.727 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.809 0.928 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.657 2.480 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.852 1.545 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.059 -1.183 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.172 -0.635 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.815 -1.187 -2.289 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.835 2.714 -2.905 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.189 2.943 -2.449 1.00 0.00 C ATOM 1992 C VAL A 145 -9.929 1.621 -2.456 1.00 0.00 C ATOM 1993 O VAL A 145 -9.792 0.827 -3.384 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.943 3.988 -3.314 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.156 4.319 -4.566 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.343 3.504 -3.671 1.00 0.00 C ATOM 0 H VAL A 145 -7.761 2.053 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.145 3.354 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.045 4.897 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.704 5.053 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.185 4.729 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -9.012 3.413 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.845 4.258 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.274 2.573 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.913 3.334 -2.758 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.690 1.371 -1.421 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.410 0.122 -1.335 1.00 0.00 C ATOM 2008 C PHE A 146 -12.882 0.304 -1.622 1.00 0.00 C ATOM 2009 O PHE A 146 -13.434 1.394 -1.468 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.211 -0.575 0.019 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.351 0.293 1.244 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.340 1.255 1.342 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.494 0.115 2.317 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -12.464 2.026 2.479 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.612 0.887 3.457 1.00 0.00 C ATOM 2016 CZ PHE A 146 -11.601 1.842 3.539 1.00 0.00 C ATOM 0 H PHE A 146 -10.828 2.005 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 146 -10.989 -0.525 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.931 -1.390 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.218 -1.024 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -13.023 1.404 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -9.722 -0.638 2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.239 2.776 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -9.930 0.742 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 146 -11.700 2.444 4.430 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.490 -0.770 -2.080 1.00 0.00 N ATOM 2026 CA LEU A 147 -14.922 -0.830 -2.241 1.00 0.00 C ATOM 2027 C LEU A 147 -15.446 -2.061 -1.540 1.00 0.00 C ATOM 2028 O LEU A 147 -14.679 -2.921 -1.108 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.324 -0.856 -3.717 1.00 0.00 C ATOM 2030 CG LEU A 147 -16.081 0.384 -4.205 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -17.369 0.561 -3.416 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -15.212 1.629 -4.093 1.00 0.00 C ATOM 0 H LEU A 147 -13.003 -1.624 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.357 0.067 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.424 -0.975 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -15.945 -1.735 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 147 -16.332 0.240 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -17.896 1.446 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -18.001 -0.317 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -17.134 0.681 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -15.771 2.496 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -14.926 1.780 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -14.316 1.503 -4.701 1.00 0.00 H new