USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 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 109 ASN :FLIP amide:sc= -0.149 F(o=-5.2!,f=-0.0085) USER MOD Set 1.2: A 128 SER OG : rot 180:sc= 0.14 USER MOD Set 2.1: A 98 HIS : no HE2:sc= -5.98! C(o=-3.8!,f=-14!) USER MOD Set 2.2: A 119 THR OG1 : rot 159:sc= 2.19 USER MOD Set 3.1: A 65 ASN : amide:sc= -0.561 K(o=-0.56,f=-1.1!) USER MOD Set 3.2: A 68 SER OG : rot -110:sc= 0 USER MOD Single : A 23 SER OG : rot 26:sc= 0.205 USER MOD Single : A 55 SER OG : rot -106:sc= 1.3 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.883 K(o=0.88,f=-1.4!) USER MOD Single : A 77 THR OG1 : rot 100:sc= -3.55! USER MOD Single : A 78 SER OG : rot 180:sc= 0.974 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -6.59 F(o=-10!,f=-6.6) USER MOD Single : A 93 THR OG1 : rot -138:sc= -0.728! 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= -0.117 X(o=-0.12,f=-0.31) USER MOD Single : A 115 SER OG : rot -120:sc= 1.84 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.97 F(o=-4.9!,f=-0.97) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.329 F(o=-2.9!,f=-0.33) USER MOD Single : A 133 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.8!) USER MOD Single : A 138 GLN :FLIP amide:sc= -1.27 F(o=-3.7!,f=-1.3) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.656 -1.219 -2.143 1.00 0.00 N ATOM 306 CA SER A 23 12.421 -0.041 -3.013 1.00 0.00 C ATOM 307 C SER A 23 11.155 0.758 -2.694 1.00 0.00 C ATOM 308 O SER A 23 10.084 0.498 -3.245 1.00 0.00 O ATOM 309 CB SER A 23 12.348 -0.526 -4.447 1.00 0.00 C ATOM 310 OG SER A 23 13.495 -1.295 -4.779 1.00 0.00 O ATOM 0 HA SER A 23 13.250 0.644 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.449 -1.126 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.269 0.327 -5.121 1.00 0.00 H new ATOM 0 HG SER A 23 13.870 -1.691 -3.965 1.00 0.00 H new ATOM 315 N VAL A 24 11.278 1.764 -1.851 1.00 0.00 N ATOM 316 CA VAL A 24 10.109 2.479 -1.387 1.00 0.00 C ATOM 317 C VAL A 24 10.260 3.990 -1.538 1.00 0.00 C ATOM 318 O VAL A 24 11.378 4.512 -1.566 1.00 0.00 O ATOM 319 CB VAL A 24 9.833 2.099 0.067 1.00 0.00 C ATOM 320 CG1 VAL A 24 10.857 2.724 1.000 1.00 0.00 C ATOM 321 CG2 VAL A 24 8.420 2.463 0.480 1.00 0.00 C ATOM 0 H VAL A 24 12.165 2.101 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 24 9.261 2.190 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 24 9.926 1.016 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.636 2.437 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.854 2.375 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.816 3.810 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.260 2.178 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.275 3.538 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.708 1.935 -0.155 1.00 0.00 H new ATOM 331 N PHE A 25 9.125 4.682 -1.642 1.00 0.00 N ATOM 332 CA PHE A 25 9.103 6.118 -1.878 1.00 0.00 C ATOM 333 C PHE A 25 7.649 6.588 -1.951 1.00 0.00 C ATOM 334 O PHE A 25 6.784 5.924 -1.400 1.00 0.00 O ATOM 335 CB PHE A 25 9.842 6.419 -3.190 1.00 0.00 C ATOM 336 CG PHE A 25 10.316 7.843 -3.336 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.243 8.374 -2.452 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.836 8.646 -4.360 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.680 9.678 -2.587 1.00 0.00 C ATOM 340 CE2 PHE A 25 10.270 9.949 -4.498 1.00 0.00 C ATOM 341 CZ PHE A 25 11.192 10.466 -3.610 1.00 0.00 C ATOM 0 H PHE A 25 8.200 4.260 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 25 9.601 6.648 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.703 5.755 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.182 6.183 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.628 7.762 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.114 8.247 -5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.403 10.080 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.889 10.564 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.531 11.486 -3.716 1.00 0.00 H new ATOM 350 N ARG A 26 7.396 7.724 -2.617 1.00 0.00 N ATOM 351 CA ARG A 26 6.035 8.240 -2.843 1.00 0.00 C ATOM 352 C ARG A 26 5.251 8.260 -1.530 1.00 0.00 C ATOM 353 O ARG A 26 5.481 9.118 -0.673 1.00 0.00 O ATOM 354 CB ARG A 26 5.302 7.384 -3.900 1.00 0.00 C ATOM 355 CG ARG A 26 4.482 8.184 -4.910 1.00 0.00 C ATOM 356 CD ARG A 26 3.346 8.963 -4.258 1.00 0.00 C ATOM 357 NE ARG A 26 2.159 8.139 -4.007 1.00 0.00 N ATOM 358 CZ ARG A 26 1.078 8.148 -4.787 1.00 0.00 C ATOM 359 NH1 ARG A 26 1.073 8.864 -5.904 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.008 7.442 -4.450 1.00 0.00 N ATOM 0 H ARG A 26 8.128 8.312 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 26 6.107 9.261 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.038 6.789 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.641 6.685 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.138 8.878 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.070 7.505 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.695 9.384 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.072 9.801 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 26 2.161 7.526 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.896 9.407 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.246 8.871 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.011 6.890 -3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.818 7.451 -5.048 1.00 0.00 H new ATOM 707 N SER A 55 -17.932 -10.360 -3.648 1.00 0.00 N ATOM 708 CA SER A 55 -16.505 -10.112 -3.773 1.00 0.00 C ATOM 709 C SER A 55 -16.256 -8.608 -3.745 1.00 0.00 C ATOM 710 O SER A 55 -17.016 -7.840 -4.336 1.00 0.00 O ATOM 711 CB SER A 55 -15.961 -10.709 -5.073 1.00 0.00 C ATOM 712 OG SER A 55 -16.586 -11.950 -5.382 1.00 0.00 O ATOM 0 HA SER A 55 -15.988 -10.588 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.121 -10.007 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.885 -10.855 -4.984 1.00 0.00 H new ATOM 0 HG SER A 55 -15.961 -12.684 -5.206 1.00 0.00 H new ATOM 717 N ALA A 56 -15.218 -8.189 -3.045 1.00 0.00 N ATOM 718 CA ALA A 56 -14.891 -6.779 -2.931 1.00 0.00 C ATOM 719 C ALA A 56 -13.429 -6.562 -3.274 1.00 0.00 C ATOM 720 O ALA A 56 -12.716 -7.535 -3.514 1.00 0.00 O ATOM 721 CB ALA A 56 -15.194 -6.297 -1.531 1.00 0.00 C ATOM 0 H ALA A 56 -14.583 -8.810 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.497 -6.205 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.947 -5.238 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.253 -6.440 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.600 -6.864 -0.814 1.00 0.00 H new ATOM 727 N LEU A 57 -12.977 -5.315 -3.370 1.00 0.00 N ATOM 728 CA LEU A 57 -11.548 -5.079 -3.526 1.00 0.00 C ATOM 729 C LEU A 57 -11.107 -3.667 -3.175 1.00 0.00 C ATOM 730 O LEU A 57 -11.781 -2.680 -3.466 1.00 0.00 O ATOM 731 CB LEU A 57 -11.088 -5.455 -4.949 1.00 0.00 C ATOM 732 CG LEU A 57 -11.944 -4.927 -6.110 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.628 -3.470 -6.422 1.00 0.00 C ATOM 734 CD2 LEU A 57 -11.746 -5.793 -7.347 1.00 0.00 C ATOM 0 H LEU A 57 -13.559 -4.478 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.060 -5.729 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.069 -5.093 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.052 -6.542 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.989 -4.979 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.253 -3.131 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.827 -2.858 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.578 -3.377 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.358 -5.408 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.696 -5.773 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.041 -6.818 -7.124 1.00 0.00 H new ATOM 745 N LEU A 58 -9.958 -3.597 -2.520 1.00 0.00 N ATOM 746 CA LEU A 58 -9.240 -2.335 -2.387 1.00 0.00 C ATOM 747 C LEU A 58 -8.385 -2.171 -3.621 1.00 0.00 C ATOM 748 O LEU A 58 -7.418 -2.903 -3.799 1.00 0.00 O ATOM 749 CB LEU A 58 -8.276 -2.318 -1.195 1.00 0.00 C ATOM 750 CG LEU A 58 -8.822 -2.628 0.193 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.155 -4.101 0.333 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.783 -2.221 1.219 1.00 0.00 C ATOM 0 H LEU A 58 -9.503 -4.394 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.981 -1.548 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.480 -3.032 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.816 -1.331 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.744 -2.069 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.542 -4.293 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.907 -4.376 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.255 -4.694 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.157 -2.436 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.863 -2.780 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.581 -1.154 1.128 1.00 0.00 H new ATOM 763 N VAL A 59 -8.718 -1.221 -4.458 1.00 0.00 N ATOM 764 CA VAL A 59 -7.978 -1.020 -5.681 1.00 0.00 C ATOM 765 C VAL A 59 -7.075 0.205 -5.546 1.00 0.00 C ATOM 766 O VAL A 59 -7.531 1.289 -5.182 1.00 0.00 O ATOM 767 CB VAL A 59 -8.936 -0.865 -6.896 1.00 0.00 C ATOM 768 CG1 VAL A 59 -10.010 0.180 -6.625 1.00 0.00 C ATOM 769 CG2 VAL A 59 -8.172 -0.513 -8.162 1.00 0.00 C ATOM 0 H VAL A 59 -9.495 -0.575 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.358 -1.899 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.423 -1.829 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.663 0.264 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.597 -0.119 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.539 1.144 -6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.871 -0.412 -8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.642 0.428 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.455 -1.303 -8.386 1.00 0.00 H new ATOM 779 N VAL A 60 -5.786 0.026 -5.799 1.00 0.00 N ATOM 780 CA VAL A 60 -4.858 1.133 -5.742 1.00 0.00 C ATOM 781 C VAL A 60 -5.136 2.039 -6.937 1.00 0.00 C ATOM 782 O VAL A 60 -4.964 1.650 -8.104 1.00 0.00 O ATOM 783 CB VAL A 60 -3.370 0.654 -5.670 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.303 -0.776 -5.179 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.633 0.776 -6.976 1.00 0.00 C ATOM 0 H VAL A 60 -5.367 -0.871 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.008 1.699 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.872 1.320 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.262 -1.097 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.746 -0.841 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.852 -1.422 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.609 0.426 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.132 0.172 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.623 1.819 -7.292 1.00 0.00 H new ATOM 795 N LYS A 61 -5.667 3.217 -6.606 1.00 0.00 N ATOM 796 CA LYS A 61 -6.124 4.189 -7.586 1.00 0.00 C ATOM 797 C LYS A 61 -4.951 4.687 -8.412 1.00 0.00 C ATOM 798 O LYS A 61 -4.868 4.438 -9.609 1.00 0.00 O ATOM 799 CB LYS A 61 -6.801 5.371 -6.882 1.00 0.00 C ATOM 800 CG LYS A 61 -7.380 6.416 -7.829 1.00 0.00 C ATOM 801 CD LYS A 61 -8.890 6.289 -7.984 1.00 0.00 C ATOM 802 CE LYS A 61 -9.303 4.972 -8.626 1.00 0.00 C ATOM 803 NZ LYS A 61 -10.774 4.899 -8.832 1.00 0.00 N ATOM 0 H LYS A 61 -5.791 3.521 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.846 3.707 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.601 4.991 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.075 5.853 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.139 7.412 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.908 6.317 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.361 6.375 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.260 7.116 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.795 4.859 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.982 4.143 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.018 3.988 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.258 4.982 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.076 5.675 -9.454 1.00 0.00 H new ATOM 813 N ARG A 62 -4.037 5.384 -7.752 1.00 0.00 N ATOM 814 CA ARG A 62 -2.844 5.885 -8.399 1.00 0.00 C ATOM 815 C ARG A 62 -1.677 5.884 -7.432 1.00 0.00 C ATOM 816 O ARG A 62 -1.794 6.283 -6.271 1.00 0.00 O ATOM 817 CB ARG A 62 -3.051 7.287 -8.976 1.00 0.00 C ATOM 818 CG ARG A 62 -3.743 7.282 -10.326 1.00 0.00 C ATOM 819 CD ARG A 62 -3.586 8.612 -11.038 1.00 0.00 C ATOM 820 NE ARG A 62 -4.047 8.546 -12.421 1.00 0.00 N ATOM 821 CZ ARG A 62 -3.244 8.673 -13.477 1.00 0.00 C ATOM 822 NH1 ARG A 62 -1.937 8.843 -13.305 1.00 0.00 N ATOM 823 NH2 ARG A 62 -3.748 8.620 -14.703 1.00 0.00 N ATOM 0 H ARG A 62 -4.105 5.614 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.621 5.217 -9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.641 7.878 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.083 7.779 -9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.329 6.486 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.802 7.063 -10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.148 9.378 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.539 8.913 -11.018 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.041 8.394 -12.589 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.547 8.876 -12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.324 8.940 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.750 8.482 -14.837 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.134 8.717 -15.512 1.00 0.00 H new ATOM 834 N GLY A 63 -0.561 5.407 -7.928 1.00 0.00 N ATOM 835 CA GLY A 63 0.651 5.338 -7.178 1.00 0.00 C ATOM 836 C GLY A 63 1.761 4.952 -8.107 1.00 0.00 C ATOM 837 O GLY A 63 1.620 5.114 -9.316 1.00 0.00 O ATOM 0 H GLY A 63 -0.477 5.052 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.864 6.300 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.558 4.608 -6.374 1.00 0.00 H new ATOM 841 N PRO A 64 2.868 4.437 -7.594 1.00 0.00 N ATOM 842 CA PRO A 64 3.974 4.002 -8.431 1.00 0.00 C ATOM 843 C PRO A 64 3.592 2.857 -9.355 1.00 0.00 C ATOM 844 O PRO A 64 3.710 2.969 -10.573 1.00 0.00 O ATOM 845 CB PRO A 64 5.047 3.580 -7.430 1.00 0.00 C ATOM 846 CG PRO A 64 4.659 4.254 -6.171 1.00 0.00 C ATOM 847 CD PRO A 64 3.164 4.289 -6.178 1.00 0.00 C ATOM 0 HA PRO A 64 4.308 4.791 -9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.074 2.497 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.040 3.889 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.034 3.711 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.074 5.260 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.733 3.377 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.773 5.120 -5.591 1.00 0.00 H new ATOM 852 N ASN A 65 3.133 1.757 -8.780 1.00 0.00 N ATOM 853 CA ASN A 65 2.593 0.671 -9.587 1.00 0.00 C ATOM 854 C ASN A 65 1.254 1.097 -10.115 1.00 0.00 C ATOM 855 O ASN A 65 1.003 1.097 -11.321 1.00 0.00 O ATOM 856 CB ASN A 65 2.403 -0.591 -8.759 1.00 0.00 C ATOM 857 CG ASN A 65 2.346 -1.858 -9.595 1.00 0.00 C ATOM 858 OD1 ASN A 65 2.983 -1.958 -10.644 1.00 0.00 O ATOM 859 ND2 ASN A 65 1.567 -2.830 -9.139 1.00 0.00 N ATOM 0 H ASN A 65 3.122 1.592 -7.774 1.00 0.00 H new ATOM 0 HA ASN A 65 3.292 0.455 -10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.221 -0.673 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.482 -0.503 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.479 -3.701 -9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.056 -2.706 -8.265 1.00 0.00 H new ATOM 865 N ALA A 66 0.428 1.516 -9.176 1.00 0.00 N ATOM 866 CA ALA A 66 -0.965 1.874 -9.441 1.00 0.00 C ATOM 867 C ALA A 66 -1.764 0.749 -10.126 1.00 0.00 C ATOM 868 O ALA A 66 -1.205 -0.240 -10.609 1.00 0.00 O ATOM 869 CB ALA A 66 -1.041 3.142 -10.277 1.00 0.00 C ATOM 0 H ALA A 66 0.700 1.621 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.425 2.043 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.085 3.393 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.562 3.961 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.530 2.983 -11.227 1.00 0.00 H new ATOM 875 N GLY A 67 -3.088 0.886 -10.120 1.00 0.00 N ATOM 876 CA GLY A 67 -3.925 -0.005 -10.899 1.00 0.00 C ATOM 877 C GLY A 67 -4.196 -1.342 -10.231 1.00 0.00 C ATOM 878 O GLY A 67 -4.839 -2.203 -10.826 1.00 0.00 O ATOM 0 H GLY A 67 -3.593 1.597 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.876 0.489 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.449 -0.182 -11.864 1.00 0.00 H new ATOM 882 N SER A 68 -3.711 -1.532 -9.011 1.00 0.00 N ATOM 883 CA SER A 68 -3.733 -2.865 -8.400 1.00 0.00 C ATOM 884 C SER A 68 -4.888 -2.995 -7.410 1.00 0.00 C ATOM 885 O SER A 68 -5.733 -2.117 -7.350 1.00 0.00 O ATOM 886 CB SER A 68 -2.400 -3.142 -7.727 1.00 0.00 C ATOM 887 OG SER A 68 -1.322 -2.780 -8.576 1.00 0.00 O ATOM 0 H SER A 68 -3.304 -0.799 -8.430 1.00 0.00 H new ATOM 0 HA SER A 68 -3.891 -3.608 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.336 -2.584 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.329 -4.199 -7.472 1.00 0.00 H new ATOM 0 HG SER A 68 -0.863 -3.589 -8.885 1.00 0.00 H new ATOM 892 N ARG A 69 -4.929 -4.077 -6.626 1.00 0.00 N ATOM 893 CA ARG A 69 -6.111 -4.360 -5.805 1.00 0.00 C ATOM 894 C ARG A 69 -5.874 -5.521 -4.839 1.00 0.00 C ATOM 895 O ARG A 69 -5.053 -6.394 -5.118 1.00 0.00 O ATOM 896 CB ARG A 69 -7.313 -4.703 -6.709 1.00 0.00 C ATOM 897 CG ARG A 69 -7.304 -6.130 -7.269 1.00 0.00 C ATOM 898 CD ARG A 69 -6.148 -6.386 -8.229 1.00 0.00 C ATOM 899 NE ARG A 69 -5.408 -7.602 -7.885 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.142 -8.591 -8.746 1.00 0.00 C ATOM 901 NH1 ARG A 69 -5.633 -8.561 -9.979 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.412 -9.628 -8.356 1.00 0.00 N ATOM 0 H ARG A 69 -4.175 -4.759 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.318 -3.463 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.232 -4.555 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.337 -4.000 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.246 -6.838 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.246 -6.318 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.533 -6.471 -9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.470 -5.533 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.074 -7.701 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.218 -7.780 -10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.425 -9.319 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.055 -9.670 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.208 -10.383 -9.011 1.00 0.00 H new ATOM 913 N PHE A 70 -6.614 -5.548 -3.722 1.00 0.00 N ATOM 914 CA PHE A 70 -6.689 -6.746 -2.907 1.00 0.00 C ATOM 915 C PHE A 70 -7.945 -7.476 -3.346 1.00 0.00 C ATOM 916 O PHE A 70 -9.033 -6.897 -3.276 1.00 0.00 O ATOM 917 CB PHE A 70 -6.825 -6.482 -1.384 1.00 0.00 C ATOM 918 CG PHE A 70 -5.853 -5.533 -0.732 1.00 0.00 C ATOM 919 CD1 PHE A 70 -5.038 -4.695 -1.464 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.785 -5.481 0.655 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.175 -3.824 -0.833 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.922 -4.613 1.290 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.116 -3.781 0.544 1.00 0.00 C ATOM 0 H PHE A 70 -7.159 -4.759 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.761 -7.300 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.831 -6.105 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.746 -7.441 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.076 -4.721 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.417 -6.129 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.543 -3.173 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.878 -4.585 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.440 -3.097 1.036 1.00 0.00 H new ATOM 932 N LEU A 71 -7.812 -8.716 -3.799 1.00 0.00 N ATOM 933 CA LEU A 71 -8.952 -9.454 -4.309 1.00 0.00 C ATOM 934 C LEU A 71 -9.752 -10.013 -3.149 1.00 0.00 C ATOM 935 O LEU A 71 -9.483 -11.096 -2.645 1.00 0.00 O ATOM 936 CB LEU A 71 -8.499 -10.564 -5.266 1.00 0.00 C ATOM 937 CG LEU A 71 -9.569 -11.590 -5.624 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.584 -11.867 -7.116 1.00 0.00 C ATOM 939 CD2 LEU A 71 -9.338 -12.874 -4.843 1.00 0.00 C ATOM 0 H LEU A 71 -6.929 -9.227 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.592 -8.780 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.138 -10.104 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.654 -11.086 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.542 -11.181 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.357 -12.602 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.793 -10.943 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.613 -12.255 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.106 -13.602 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.356 -13.278 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.386 -12.664 -3.775 1.00 0.00 H new ATOM 950 N LEU A 72 -10.737 -9.274 -2.714 1.00 0.00 N ATOM 951 CA LEU A 72 -11.499 -9.682 -1.556 1.00 0.00 C ATOM 952 C LEU A 72 -12.607 -10.634 -1.986 1.00 0.00 C ATOM 953 O LEU A 72 -13.784 -10.428 -1.682 1.00 0.00 O ATOM 954 CB LEU A 72 -12.102 -8.474 -0.829 1.00 0.00 C ATOM 955 CG LEU A 72 -11.234 -7.212 -0.784 1.00 0.00 C ATOM 956 CD1 LEU A 72 -11.896 -6.147 0.063 1.00 0.00 C ATOM 957 CD2 LEU A 72 -9.847 -7.511 -0.262 1.00 0.00 C ATOM 0 H LEU A 72 -11.032 -8.394 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.825 -10.187 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.048 -8.223 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.332 -8.769 0.195 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.133 -6.842 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.267 -5.257 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.867 -5.895 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.031 -6.521 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.259 -6.593 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.918 -7.917 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.363 -8.239 -0.913 1.00 0.00 H new ATOM 968 N ASP A 73 -12.216 -11.651 -2.729 1.00 0.00 N ATOM 969 CA ASP A 73 -13.141 -12.664 -3.206 1.00 0.00 C ATOM 970 C ASP A 73 -12.973 -13.929 -2.386 1.00 0.00 C ATOM 971 O ASP A 73 -13.877 -14.755 -2.293 1.00 0.00 O ATOM 972 CB ASP A 73 -12.888 -12.945 -4.692 1.00 0.00 C ATOM 973 CG ASP A 73 -13.697 -14.111 -5.223 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.922 -13.958 -5.401 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.109 -15.181 -5.487 1.00 0.00 O ATOM 0 H ASP A 73 -11.250 -11.799 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.164 -12.306 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.126 -12.052 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.828 -13.148 -4.842 1.00 0.00 H new ATOM 979 N GLN A 74 -11.808 -14.058 -1.773 1.00 0.00 N ATOM 980 CA GLN A 74 -11.504 -15.216 -0.950 1.00 0.00 C ATOM 981 C GLN A 74 -11.587 -14.843 0.528 1.00 0.00 C ATOM 982 O GLN A 74 -12.159 -13.814 0.866 1.00 0.00 O ATOM 983 CB GLN A 74 -10.134 -15.783 -1.318 1.00 0.00 C ATOM 984 CG GLN A 74 -8.979 -14.833 -1.074 1.00 0.00 C ATOM 985 CD GLN A 74 -7.714 -15.294 -1.760 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.764 -15.922 -2.817 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.582 -15.016 -1.152 1.00 0.00 N ATOM 0 H GLN A 74 -11.055 -13.372 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.241 -15.997 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.966 -16.695 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.141 -16.064 -2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.245 -13.839 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.800 -14.747 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.588 -14.492 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.697 -15.324 -1.556 1.00 0.00 H new ATOM 994 N ALA A 75 -11.063 -15.681 1.409 1.00 0.00 N ATOM 995 CA ALA A 75 -11.132 -15.401 2.839 1.00 0.00 C ATOM 996 C ALA A 75 -10.104 -14.353 3.262 1.00 0.00 C ATOM 997 O ALA A 75 -10.395 -13.491 4.092 1.00 0.00 O ATOM 998 CB ALA A 75 -10.943 -16.681 3.635 1.00 0.00 C ATOM 0 H ALA A 75 -10.590 -16.551 1.166 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.121 -14.993 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.997 -16.458 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.727 -17.392 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.970 -17.113 3.403 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.901 -14.426 2.703 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.852 -13.478 3.055 1.00 0.00 C ATOM 1006 C ILE A 76 -6.769 -13.418 1.983 1.00 0.00 C ATOM 1007 O ILE A 76 -6.308 -14.447 1.495 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.257 -13.792 4.464 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -6.004 -12.947 4.779 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.955 -15.271 4.614 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.687 -13.568 4.337 1.00 0.00 C ATOM 0 H ILE A 76 -8.630 -15.125 2.011 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.305 -12.488 3.106 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.021 -13.517 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.110 -11.974 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.963 -12.770 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.542 -15.459 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.873 -15.844 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.232 -15.573 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.865 -12.903 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.552 -14.528 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.700 -13.719 3.258 1.00 0.00 H new ATOM 1022 N THR A 77 -6.389 -12.200 1.604 1.00 0.00 N ATOM 1023 CA THR A 77 -5.382 -11.994 0.565 1.00 0.00 C ATOM 1024 C THR A 77 -4.092 -11.416 1.135 1.00 0.00 C ATOM 1025 O THR A 77 -4.128 -10.579 2.036 1.00 0.00 O ATOM 1026 CB THR A 77 -5.873 -11.021 -0.517 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.197 -9.752 0.054 1.00 0.00 O ATOM 1028 CG2 THR A 77 -7.075 -11.575 -1.238 1.00 0.00 C ATOM 0 H THR A 77 -6.764 -11.339 2.002 1.00 0.00 H new ATOM 0 HA THR A 77 -5.199 -12.979 0.135 1.00 0.00 H new ATOM 0 HB THR A 77 -5.064 -10.891 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.457 -9.127 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.402 -10.866 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.811 -12.520 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.883 -11.740 -0.525 1.00 0.00 H new ATOM 1036 N SER A 78 -2.963 -11.833 0.591 1.00 0.00 N ATOM 1037 CA SER A 78 -1.690 -11.220 0.926 1.00 0.00 C ATOM 1038 C SER A 78 -1.538 -9.930 0.121 1.00 0.00 C ATOM 1039 O SER A 78 -1.562 -9.970 -1.109 1.00 0.00 O ATOM 1040 CB SER A 78 -0.555 -12.186 0.592 1.00 0.00 C ATOM 1041 OG SER A 78 -0.711 -13.413 1.276 1.00 0.00 O ATOM 0 H SER A 78 -2.901 -12.594 -0.085 1.00 0.00 H new ATOM 0 HA SER A 78 -1.653 -10.990 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.531 -12.366 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.401 -11.736 0.861 1.00 0.00 H new ATOM 0 HG SER A 78 0.028 -14.014 1.043 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.329 -8.800 0.809 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.330 -7.490 0.156 1.00 0.00 C ATOM 1048 C ALA A 79 -0.036 -6.719 0.363 1.00 0.00 C ATOM 1049 O ALA A 79 0.267 -6.299 1.473 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.487 -6.671 0.685 1.00 0.00 C ATOM 0 H ALA A 79 -1.158 -8.769 1.814 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.430 -7.666 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.492 -5.694 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.424 -7.186 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.379 -6.542 1.762 1.00 0.00 H new ATOM 1056 N GLY A 80 0.713 -6.509 -0.711 1.00 0.00 N ATOM 1057 CA GLY A 80 1.955 -5.775 -0.611 1.00 0.00 C ATOM 1058 C GLY A 80 2.959 -6.233 -1.640 1.00 0.00 C ATOM 1059 O GLY A 80 2.614 -6.457 -2.800 1.00 0.00 O ATOM 0 H GLY A 80 0.481 -6.835 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.760 -4.711 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.373 -5.902 0.387 1.00 0.00 H new ATOM 1063 N ARG A 81 4.198 -6.381 -1.215 1.00 0.00 N ATOM 1064 CA ARG A 81 5.234 -6.928 -2.062 1.00 0.00 C ATOM 1065 C ARG A 81 5.051 -8.422 -2.176 1.00 0.00 C ATOM 1066 O ARG A 81 5.321 -9.170 -1.240 1.00 0.00 O ATOM 1067 CB ARG A 81 6.610 -6.574 -1.502 1.00 0.00 C ATOM 1068 CG ARG A 81 7.759 -7.397 -2.075 1.00 0.00 C ATOM 1069 CD ARG A 81 8.186 -8.539 -1.155 1.00 0.00 C ATOM 1070 NE ARG A 81 9.131 -8.089 -0.132 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.158 -8.832 0.302 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.314 -10.077 -0.133 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.034 -8.330 1.165 1.00 0.00 N ATOM 0 H ARG A 81 4.512 -6.127 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 81 5.162 -6.496 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.805 -5.519 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.592 -6.704 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.461 -7.806 -3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.613 -6.744 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.306 -8.967 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.642 -9.332 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 81 9.001 -7.161 0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.651 -10.471 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.097 -10.639 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.927 -7.373 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.813 -8.901 1.491 1.00 0.00 H new ATOM 1084 N HIS A 82 4.553 -8.858 -3.311 1.00 0.00 N ATOM 1085 CA HIS A 82 4.250 -10.255 -3.478 1.00 0.00 C ATOM 1086 C HIS A 82 4.668 -10.761 -4.838 1.00 0.00 C ATOM 1087 O HIS A 82 4.195 -10.273 -5.861 1.00 0.00 O ATOM 1088 CB HIS A 82 2.762 -10.497 -3.290 1.00 0.00 C ATOM 1089 CG HIS A 82 2.342 -10.293 -1.886 1.00 0.00 C ATOM 1090 ND1 HIS A 82 1.409 -9.488 -1.359 1.00 0.00 N flip ATOM 1091 CD2 HIS A 82 2.937 -10.931 -0.833 1.00 0.00 C flip ATOM 1092 CE1 HIS A 82 1.449 -9.651 -0.001 1.00 0.00 C flip ATOM 1093 NE2 HIS A 82 2.378 -10.533 0.282 1.00 0.00 N flip ATOM 0 H HIS A 82 4.352 -8.271 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 82 4.814 -10.801 -2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.200 -9.824 -3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.518 -11.514 -3.598 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.784 -8.868 -1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.740 -11.649 -0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.823 -9.141 0.716 1.00 0.00 H new ATOM 1133 N ASP A 86 -1.958 -12.315 -4.013 1.00 0.00 N ATOM 1134 CA ASP A 86 -3.284 -11.814 -4.371 1.00 0.00 C ATOM 1135 C ASP A 86 -3.174 -10.356 -4.790 1.00 0.00 C ATOM 1136 O ASP A 86 -3.703 -9.945 -5.818 1.00 0.00 O ATOM 1137 CB ASP A 86 -4.241 -11.938 -3.174 1.00 0.00 C ATOM 1138 CG ASP A 86 -4.158 -13.299 -2.514 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -4.719 -14.271 -3.052 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -3.500 -13.400 -1.455 1.00 0.00 O ATOM 0 HA ASP A 86 -3.678 -12.405 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.006 -11.166 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.263 -11.760 -3.508 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.479 -9.579 -3.974 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.258 -8.166 -4.246 1.00 0.00 C ATOM 1146 C ILE A 87 -0.763 -7.844 -4.192 1.00 0.00 C ATOM 1147 O ILE A 87 -0.145 -7.836 -3.127 1.00 0.00 O ATOM 1148 CB ILE A 87 -3.077 -7.279 -3.263 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.327 -6.015 -2.825 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.520 -8.076 -2.058 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.454 -4.863 -3.789 1.00 0.00 C ATOM 0 H ILE A 87 -2.053 -9.908 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.611 -7.941 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.957 -6.946 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.701 -5.703 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.271 -6.256 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.090 -7.434 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.145 -8.908 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.645 -8.462 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.896 -4.007 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.053 -5.155 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.504 -4.593 -3.897 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.182 -7.648 -5.362 1.00 0.00 N ATOM 1163 CA PHE A 88 1.210 -7.258 -5.484 1.00 0.00 C ATOM 1164 C PHE A 88 1.314 -5.813 -5.931 1.00 0.00 C ATOM 1165 O PHE A 88 0.878 -5.452 -7.021 1.00 0.00 O ATOM 1166 CB PHE A 88 1.960 -8.154 -6.476 1.00 0.00 C ATOM 1167 CG PHE A 88 1.087 -9.029 -7.343 1.00 0.00 C ATOM 1168 CD1 PHE A 88 0.083 -8.488 -8.138 1.00 0.00 C ATOM 1169 CD2 PHE A 88 1.277 -10.403 -7.357 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -0.707 -9.302 -8.926 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.489 -11.218 -8.146 1.00 0.00 C ATOM 1172 CZ PHE A 88 -0.504 -10.666 -8.930 1.00 0.00 C ATOM 0 H PHE A 88 -0.663 -7.755 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 88 1.670 -7.372 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.569 -7.522 -7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.645 -8.792 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.081 -7.421 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.051 -10.841 -6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.484 -8.870 -9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.650 -12.286 -8.150 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.122 -11.302 -9.546 1.00 0.00 H new ATOM 1181 N LEU A 89 1.884 -4.986 -5.081 1.00 0.00 N ATOM 1182 CA LEU A 89 2.095 -3.595 -5.415 1.00 0.00 C ATOM 1183 C LEU A 89 3.541 -3.349 -5.785 1.00 0.00 C ATOM 1184 O LEU A 89 4.373 -3.049 -4.928 1.00 0.00 O ATOM 1185 CB LEU A 89 1.649 -2.691 -4.270 1.00 0.00 C ATOM 1186 CG LEU A 89 0.151 -2.436 -4.250 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.218 -1.341 -3.274 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.314 -2.075 -5.640 1.00 0.00 C ATOM 0 H LEU A 89 2.210 -5.254 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 89 1.484 -3.351 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.946 -3.143 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.171 -1.737 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.346 -3.348 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.297 -1.189 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.094 -1.628 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.283 -0.416 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.388 -1.892 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.204 -1.176 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.094 -2.896 -6.322 1.00 0.00 H new ATOM 1199 N ASP A 90 3.832 -3.547 -7.074 1.00 0.00 N ATOM 1200 CA ASP A 90 5.178 -3.380 -7.637 1.00 0.00 C ATOM 1201 C ASP A 90 6.124 -4.444 -7.078 1.00 0.00 C ATOM 1202 O ASP A 90 7.286 -4.537 -7.466 1.00 0.00 O ATOM 1203 CB ASP A 90 5.707 -1.963 -7.366 1.00 0.00 C ATOM 1204 CG ASP A 90 6.941 -1.623 -8.179 1.00 0.00 C ATOM 1205 OD1 ASP A 90 6.942 -1.883 -9.403 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.911 -1.091 -7.603 1.00 0.00 O ATOM 0 H ASP A 90 3.135 -3.830 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 90 5.124 -3.512 -8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.922 -1.240 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.940 -1.865 -6.306 1.00 0.00 H new ATOM 1210 N ASP A 91 5.566 -5.253 -6.173 1.00 0.00 N ATOM 1211 CA ASP A 91 6.248 -6.352 -5.491 1.00 0.00 C ATOM 1212 C ASP A 91 7.679 -6.013 -5.073 1.00 0.00 C ATOM 1213 O ASP A 91 8.556 -6.875 -5.090 1.00 0.00 O ATOM 1214 CB ASP A 91 6.193 -7.662 -6.306 1.00 0.00 C ATOM 1215 CG ASP A 91 6.763 -7.570 -7.712 1.00 0.00 C ATOM 1216 OD1 ASP A 91 7.988 -7.743 -7.878 1.00 0.00 O ATOM 1217 OD2 ASP A 91 5.977 -7.370 -8.666 1.00 0.00 O ATOM 0 H ASP A 91 4.592 -5.156 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 91 5.692 -6.512 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.735 -8.434 -5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.155 -7.988 -6.372 1.00 0.00 H new ATOM 1221 N VAL A 92 7.903 -4.763 -4.660 1.00 0.00 N ATOM 1222 CA VAL A 92 9.191 -4.366 -4.100 1.00 0.00 C ATOM 1223 C VAL A 92 9.115 -2.976 -3.447 1.00 0.00 C ATOM 1224 O VAL A 92 9.987 -2.145 -3.632 1.00 0.00 O ATOM 1225 CB VAL A 92 10.319 -4.411 -5.172 1.00 0.00 C ATOM 1226 CG1 VAL A 92 10.108 -3.369 -6.263 1.00 0.00 C ATOM 1227 CG2 VAL A 92 11.703 -4.276 -4.533 1.00 0.00 C ATOM 0 H VAL A 92 7.212 -4.014 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 92 9.440 -5.089 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 92 10.269 -5.390 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 92 10.917 -3.435 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.156 -3.552 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.099 -2.374 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.467 -4.311 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.768 -3.326 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.861 -5.095 -3.831 1.00 0.00 H new ATOM 1237 N THR A 93 8.067 -2.713 -2.667 1.00 0.00 N ATOM 1238 CA THR A 93 7.996 -1.433 -1.957 1.00 0.00 C ATOM 1239 C THR A 93 7.493 -1.602 -0.516 1.00 0.00 C ATOM 1240 O THR A 93 7.431 -0.641 0.253 1.00 0.00 O ATOM 1241 CB THR A 93 7.077 -0.411 -2.670 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.790 -0.411 -2.050 1.00 0.00 O ATOM 1243 CG2 THR A 93 6.904 -0.715 -4.160 1.00 0.00 C ATOM 0 H THR A 93 7.280 -3.343 -2.512 1.00 0.00 H new ATOM 0 HA THR A 93 9.018 -1.054 -1.949 1.00 0.00 H new ATOM 0 HB THR A 93 7.555 0.565 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.095 -0.365 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.251 0.032 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.876 -0.690 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.461 -1.704 -4.281 1.00 0.00 H new ATOM 1251 N VAL A 94 7.105 -2.815 -0.163 1.00 0.00 N ATOM 1252 CA VAL A 94 6.474 -3.075 1.125 1.00 0.00 C ATOM 1253 C VAL A 94 6.927 -4.427 1.676 1.00 0.00 C ATOM 1254 O VAL A 94 7.187 -5.343 0.907 1.00 0.00 O ATOM 1255 CB VAL A 94 4.924 -2.994 0.988 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.481 -3.371 -0.417 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.206 -3.868 2.008 1.00 0.00 C ATOM 0 H VAL A 94 7.215 -3.641 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 94 6.784 -2.311 1.838 1.00 0.00 H new ATOM 0 HB VAL A 94 4.649 -1.958 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.395 -3.306 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.932 -2.687 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.798 -4.390 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.128 -3.777 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.503 -4.908 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.472 -3.546 3.015 1.00 0.00 H new ATOM 1267 N SER A 95 7.041 -4.533 3.001 1.00 0.00 N ATOM 1268 CA SER A 95 7.577 -5.726 3.658 1.00 0.00 C ATOM 1269 C SER A 95 6.665 -6.943 3.474 1.00 0.00 C ATOM 1270 O SER A 95 5.950 -7.337 4.396 1.00 0.00 O ATOM 1271 CB SER A 95 7.771 -5.428 5.145 1.00 0.00 C ATOM 1272 OG SER A 95 8.474 -4.207 5.326 1.00 0.00 O ATOM 0 H SER A 95 6.765 -3.795 3.648 1.00 0.00 H new ATOM 0 HA SER A 95 8.533 -5.973 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.801 -5.371 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.321 -6.243 5.615 1.00 0.00 H new ATOM 0 HG SER A 95 8.587 -4.033 6.284 1.00 0.00 H new ATOM 1277 N ARG A 96 6.725 -7.544 2.279 1.00 0.00 N ATOM 1278 CA ARG A 96 5.850 -8.649 1.888 1.00 0.00 C ATOM 1279 C ARG A 96 4.396 -8.195 1.835 1.00 0.00 C ATOM 1280 O ARG A 96 3.813 -8.082 0.769 1.00 0.00 O ATOM 1281 CB ARG A 96 5.993 -9.862 2.813 1.00 0.00 C ATOM 1282 CG ARG A 96 5.626 -11.165 2.123 1.00 0.00 C ATOM 1283 CD ARG A 96 4.311 -11.757 2.608 1.00 0.00 C ATOM 1284 NE ARG A 96 3.867 -12.844 1.742 1.00 0.00 N ATOM 1285 CZ ARG A 96 3.240 -13.947 2.172 1.00 0.00 C ATOM 1286 NH1 ARG A 96 2.962 -14.111 3.460 1.00 0.00 N ATOM 1287 NH2 ARG A 96 2.898 -14.895 1.311 1.00 0.00 N ATOM 0 H ARG A 96 7.388 -7.273 1.553 1.00 0.00 H new ATOM 0 HA ARG A 96 6.163 -8.961 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.020 -9.922 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.356 -9.725 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.564 -10.993 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.424 -11.890 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.430 -12.126 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.549 -10.979 2.638 1.00 0.00 H new ATOM 0 HE ARG A 96 4.046 -12.758 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.226 -13.393 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.484 -14.955 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.112 -14.785 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.421 -15.734 1.640 1.00 0.00 H new ATOM 1298 N ARG A 97 3.810 -7.924 2.974 1.00 0.00 N ATOM 1299 CA ARG A 97 2.427 -7.492 3.014 1.00 0.00 C ATOM 1300 C ARG A 97 2.235 -6.404 4.049 1.00 0.00 C ATOM 1301 O ARG A 97 2.681 -6.523 5.181 1.00 0.00 O ATOM 1302 CB ARG A 97 1.498 -8.682 3.319 1.00 0.00 C ATOM 1303 CG ARG A 97 1.897 -9.469 4.559 1.00 0.00 C ATOM 1304 CD ARG A 97 0.758 -10.332 5.097 1.00 0.00 C ATOM 1305 NE ARG A 97 0.428 -11.470 4.235 1.00 0.00 N ATOM 1306 CZ ARG A 97 0.081 -12.673 4.709 1.00 0.00 C ATOM 1307 NH1 ARG A 97 0.075 -12.896 6.014 1.00 0.00 N ATOM 1308 NH2 ARG A 97 -0.266 -13.651 3.881 1.00 0.00 N ATOM 0 H ARG A 97 4.263 -7.993 3.885 1.00 0.00 H new ATOM 0 HA ARG A 97 2.170 -7.088 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.480 -8.313 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.489 -9.354 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.750 -10.105 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.222 -8.777 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.029 -10.702 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.130 -9.712 5.221 1.00 0.00 H new ATOM 0 HE ARG A 97 0.464 -11.339 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.335 -12.151 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.190 -13.813 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.270 -13.489 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.529 -14.564 4.252 1.00 0.00 H new ATOM 1319 N HIS A 98 1.583 -5.333 3.625 1.00 0.00 N ATOM 1320 CA HIS A 98 1.174 -4.278 4.533 1.00 0.00 C ATOM 1321 C HIS A 98 -0.031 -4.756 5.282 1.00 0.00 C ATOM 1322 O HIS A 98 -0.180 -4.525 6.476 1.00 0.00 O ATOM 1323 CB HIS A 98 0.848 -2.983 3.754 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.596 -2.539 3.826 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.053 -1.649 4.768 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.685 -2.877 3.078 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.347 -1.455 4.604 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -2.757 -2.182 3.584 1.00 0.00 N ATOM 0 H HIS A 98 1.325 -5.173 2.651 1.00 0.00 H new ATOM 0 HA HIS A 98 1.983 -4.048 5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.479 -2.180 4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.115 -3.130 2.708 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.479 -1.206 5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -1.702 -3.563 2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.968 -0.808 5.206 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.891 -5.410 4.541 1.00 0.00 N ATOM 1337 CA ALA A 99 -2.083 -5.950 5.088 1.00 0.00 C ATOM 1338 C ALA A 99 -2.372 -7.275 4.468 1.00 0.00 C ATOM 1339 O ALA A 99 -1.790 -7.659 3.452 1.00 0.00 O ATOM 1340 CB ALA A 99 -3.268 -5.019 4.896 1.00 0.00 C ATOM 0 H ALA A 99 -0.772 -5.576 3.542 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.929 -6.071 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.160 -5.471 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.067 -4.068 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.428 -4.849 3.831 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.235 -7.975 5.116 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.843 -9.136 4.557 1.00 0.00 C ATOM 1348 C GLU A 100 -5.328 -8.978 4.748 1.00 0.00 C ATOM 1349 O GLU A 100 -5.787 -8.676 5.851 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.274 -10.392 5.221 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.264 -10.311 6.740 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.670 -11.537 7.392 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -3.353 -12.577 7.430 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -1.535 -11.456 7.902 1.00 0.00 O ATOM 0 H GLU A 100 -3.545 -7.756 6.063 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.633 -9.247 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.862 -11.257 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.257 -10.555 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.698 -9.432 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.284 -10.174 7.098 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.055 -9.087 3.647 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.477 -8.848 3.639 1.00 0.00 C ATOM 1361 C PHE A 101 -8.131 -9.838 4.557 1.00 0.00 C ATOM 1362 O PHE A 101 -8.316 -11.000 4.229 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.015 -8.920 2.200 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.331 -9.625 2.052 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.474 -9.145 2.665 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.415 -10.776 1.291 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.674 -9.806 2.524 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.609 -11.437 1.148 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.744 -10.951 1.763 1.00 0.00 C ATOM 0 H PHE A 101 -5.670 -9.344 2.738 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.707 -7.847 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.118 -7.905 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.277 -9.425 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.425 -8.244 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.531 -11.159 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.560 -9.426 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.660 -12.338 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.685 -11.468 1.648 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.417 -9.377 5.738 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.941 -10.229 6.742 1.00 0.00 C ATOM 1380 C ARG A 102 -10.458 -10.233 6.679 1.00 0.00 C ATOM 1381 O ARG A 102 -11.100 -9.320 7.199 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.470 -9.746 8.111 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.862 -10.658 9.251 1.00 0.00 C ATOM 1384 CD ARG A 102 -8.202 -12.015 9.119 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.746 -11.910 9.010 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.906 -12.269 9.983 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -6.367 -12.561 11.193 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.603 -12.303 9.759 1.00 0.00 N ATOM 0 H ARG A 102 -8.292 -8.406 6.023 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.584 -11.246 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.385 -9.645 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.880 -8.753 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.576 -10.203 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.945 -10.778 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.457 -12.628 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.595 -12.525 8.240 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.352 -11.543 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.368 -12.512 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.720 -12.835 11.933 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.237 -12.054 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.964 -12.578 10.505 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.039 -11.219 6.014 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.481 -11.347 6.030 1.00 0.00 C ATOM 1401 C LEU A 103 -12.893 -12.094 7.280 1.00 0.00 C ATOM 1402 O LEU A 103 -12.713 -13.309 7.387 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.030 -12.051 4.781 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.553 -11.917 4.578 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.928 -12.144 3.128 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.312 -12.888 5.460 1.00 0.00 C ATOM 0 H LEU A 103 -10.545 -11.926 5.469 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.906 -10.343 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.524 -11.649 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.777 -13.110 4.838 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.830 -10.901 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.007 -12.044 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.425 -11.406 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.622 -13.145 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.383 -12.769 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.018 -13.909 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.082 -12.685 6.506 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.416 -11.354 8.227 1.00 0.00 N ATOM 1418 CA GLU A 104 -13.970 -11.930 9.428 1.00 0.00 C ATOM 1419 C GLU A 104 -15.313 -11.284 9.693 1.00 0.00 C ATOM 1420 O GLU A 104 -15.473 -10.076 9.503 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.018 -11.768 10.617 1.00 0.00 C ATOM 1422 CG GLU A 104 -12.612 -10.336 10.920 1.00 0.00 C ATOM 1423 CD GLU A 104 -11.669 -10.254 12.102 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -12.137 -10.375 13.251 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -10.454 -10.075 11.892 1.00 0.00 O ATOM 0 H GLU A 104 -13.470 -10.336 8.187 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.106 -13.003 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.491 -12.191 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.118 -12.353 10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.133 -9.901 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.503 -9.742 11.124 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.280 -12.097 10.089 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.663 -11.654 10.240 1.00 0.00 C ATOM 1432 C ASN A 105 -18.215 -11.194 8.892 1.00 0.00 C ATOM 1433 O ASN A 105 -19.044 -10.290 8.832 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.789 -10.516 11.267 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.222 -10.869 12.629 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.899 -11.476 13.461 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -15.987 -10.462 12.878 1.00 0.00 N ATOM 0 H ASN A 105 -16.132 -13.081 10.315 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.242 -12.502 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.275 -9.634 10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.840 -10.250 11.377 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.562 -10.648 13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.460 -9.962 12.161 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.729 -11.831 7.817 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.164 -11.546 6.436 1.00 0.00 C ATOM 1445 C ASN A 106 -17.624 -10.201 5.934 1.00 0.00 C ATOM 1446 O ASN A 106 -17.830 -9.821 4.781 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.698 -11.586 6.362 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.279 -11.263 4.994 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.462 -12.149 4.158 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.591 -9.993 4.763 1.00 0.00 N ATOM 0 H ASN A 106 -17.020 -12.562 7.878 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.753 -12.314 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.036 -12.578 6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.101 -10.880 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -20.998 -9.722 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.424 -9.288 5.481 1.00 0.00 H new ATOM 1456 N GLU A 107 -16.862 -9.517 6.770 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.406 -8.182 6.444 1.00 0.00 C ATOM 1458 C GLU A 107 -14.942 -8.189 6.046 1.00 0.00 C ATOM 1459 O GLU A 107 -14.128 -8.888 6.646 1.00 0.00 O ATOM 1460 CB GLU A 107 -16.618 -7.244 7.630 1.00 0.00 C ATOM 1461 CG GLU A 107 -18.052 -7.205 8.140 1.00 0.00 C ATOM 1462 CD GLU A 107 -19.055 -6.819 7.068 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -19.099 -5.629 6.693 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -19.814 -7.702 6.606 1.00 0.00 O ATOM 0 H GLU A 107 -16.548 -9.865 7.676 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.991 -7.824 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.962 -7.551 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.318 -6.237 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.316 -8.184 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.119 -6.495 8.964 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.617 -7.404 5.031 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.253 -7.320 4.535 1.00 0.00 C ATOM 1471 C PHE A 108 -12.508 -6.230 5.290 1.00 0.00 C ATOM 1472 O PHE A 108 -12.975 -5.093 5.369 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.240 -7.032 3.025 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.520 -7.403 2.328 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.702 -8.675 1.799 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.543 -6.479 2.204 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.878 -9.009 1.162 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.719 -6.810 1.568 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.888 -8.076 1.047 1.00 0.00 C ATOM 0 H PHE A 108 -15.283 -6.813 4.533 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.756 -8.276 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.045 -5.971 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.416 -7.578 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.915 -9.409 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.418 -5.486 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.009 -10.000 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.508 -6.079 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.810 -8.337 0.549 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.374 -6.583 5.877 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.577 -5.633 6.652 1.00 0.00 C ATOM 1490 C ASN A 109 -9.151 -5.604 6.143 1.00 0.00 C ATOM 1491 O ASN A 109 -8.716 -6.528 5.453 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.536 -6.015 8.141 1.00 0.00 C ATOM 1493 CG ASN A 109 -11.801 -5.696 8.919 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -12.957 -5.822 8.291 1.00 0.00 O flip ATOM 1495 ND2 ASN A 109 -11.734 -5.357 10.099 1.00 0.00 N flip ATOM 0 H ASN A 109 -10.981 -7.523 5.833 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.047 -4.656 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.337 -7.084 8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.698 -5.499 8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -10.825 -5.269 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -12.587 -5.164 10.623 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.419 -4.553 6.487 1.00 0.00 N ATOM 1502 CA VAL A 110 -6.992 -4.527 6.228 1.00 0.00 C ATOM 1503 C VAL A 110 -6.249 -4.707 7.533 1.00 0.00 C ATOM 1504 O VAL A 110 -6.487 -3.993 8.502 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.517 -3.235 5.509 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -7.544 -2.809 4.506 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -6.211 -2.086 6.458 1.00 0.00 C ATOM 0 H VAL A 110 -8.788 -3.717 6.941 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.772 -5.347 5.545 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.578 -3.482 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.208 -1.902 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.684 -3.601 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.489 -2.613 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.885 -1.218 5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.108 -1.832 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.420 -2.384 7.147 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.392 -5.693 7.561 1.00 0.00 N ATOM 1518 CA VAL A 111 -4.595 -5.965 8.744 1.00 0.00 C ATOM 1519 C VAL A 111 -3.189 -5.437 8.563 1.00 0.00 C ATOM 1520 O VAL A 111 -2.433 -5.958 7.753 1.00 0.00 O ATOM 1521 CB VAL A 111 -4.525 -7.473 9.047 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -3.335 -7.778 9.944 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -5.817 -7.949 9.691 1.00 0.00 C ATOM 0 H VAL A 111 -5.222 -6.327 6.780 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.079 -5.462 9.581 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.395 -8.009 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.299 -8.848 10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.415 -7.473 9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.437 -7.232 10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.749 -9.017 9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.979 -7.409 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.651 -7.763 9.014 1.00 0.00 H new ATOM 1533 N ASP A 112 -2.833 -4.423 9.329 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.490 -3.865 9.235 1.00 0.00 C ATOM 1535 C ASP A 112 -0.496 -4.813 9.895 1.00 0.00 C ATOM 1536 O ASP A 112 -0.579 -5.071 11.100 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.399 -2.486 9.884 1.00 0.00 C ATOM 1538 CG ASP A 112 0.038 -2.006 9.993 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.720 -1.912 8.950 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.493 -1.724 11.119 1.00 0.00 O ATOM 0 H ASP A 112 -3.441 -3.973 10.013 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.250 -3.748 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.978 -1.771 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.846 -2.522 10.877 1.00 0.00 H new ATOM 1544 N VAL A 113 0.424 -5.347 9.107 1.00 0.00 N ATOM 1545 CA VAL A 113 1.390 -6.312 9.614 1.00 0.00 C ATOM 1546 C VAL A 113 2.821 -5.865 9.337 1.00 0.00 C ATOM 1547 O VAL A 113 3.759 -6.328 9.990 1.00 0.00 O ATOM 1548 CB VAL A 113 1.174 -7.722 9.015 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.172 -8.290 9.425 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.285 -7.695 7.505 1.00 0.00 C ATOM 0 H VAL A 113 0.523 -5.130 8.115 1.00 0.00 H new ATOM 0 HA VAL A 113 1.231 -6.364 10.691 1.00 0.00 H new ATOM 0 HB VAL A 113 1.958 -8.368 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.296 -9.281 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.221 -8.362 10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.967 -7.635 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.129 -8.699 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.530 -7.023 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.276 -7.343 7.219 1.00 0.00 H new ATOM 1560 N GLY A 114 2.992 -4.974 8.367 1.00 0.00 N ATOM 1561 CA GLY A 114 4.317 -4.472 8.068 1.00 0.00 C ATOM 1562 C GLY A 114 4.464 -3.946 6.652 1.00 0.00 C ATOM 1563 O GLY A 114 4.739 -4.699 5.719 1.00 0.00 O ATOM 0 H GLY A 114 2.243 -4.594 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.561 -3.674 8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.043 -5.270 8.227 1.00 0.00 H new ATOM 1567 N SER A 115 4.281 -2.650 6.490 1.00 0.00 N ATOM 1568 CA SER A 115 4.492 -2.001 5.210 1.00 0.00 C ATOM 1569 C SER A 115 5.749 -1.149 5.282 1.00 0.00 C ATOM 1570 O SER A 115 5.889 -0.367 6.220 1.00 0.00 O ATOM 1571 CB SER A 115 3.280 -1.137 4.865 1.00 0.00 C ATOM 1572 OG SER A 115 3.498 -0.345 3.708 1.00 0.00 O ATOM 0 H SER A 115 3.984 -2.021 7.236 1.00 0.00 H new ATOM 0 HA SER A 115 4.616 -2.753 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.413 -1.778 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.047 -0.488 5.709 1.00 0.00 H new ATOM 0 HG SER A 115 3.418 0.604 3.941 1.00 0.00 H new ATOM 1577 N LEU A 116 6.674 -1.302 4.332 1.00 0.00 N ATOM 1578 CA LEU A 116 7.959 -0.612 4.449 1.00 0.00 C ATOM 1579 C LEU A 116 7.795 0.901 4.639 1.00 0.00 C ATOM 1580 O LEU A 116 8.336 1.463 5.599 1.00 0.00 O ATOM 1581 CB LEU A 116 8.848 -0.888 3.251 1.00 0.00 C ATOM 1582 CG LEU A 116 10.251 -0.308 3.377 1.00 0.00 C ATOM 1583 CD1 LEU A 116 10.986 -0.913 4.564 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.021 -0.542 2.103 1.00 0.00 C ATOM 0 H LEU A 116 6.564 -1.879 3.498 1.00 0.00 H new ATOM 0 HA LEU A 116 8.438 -1.011 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.923 -1.966 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.375 -0.479 2.358 1.00 0.00 H new ATOM 0 HG LEU A 116 10.167 0.765 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.985 -0.482 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.436 -0.699 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.065 -1.992 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.023 -0.124 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.091 -1.613 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.506 -0.058 1.273 1.00 0.00 H new ATOM 1595 N ASN A 117 7.063 1.563 3.735 1.00 0.00 N ATOM 1596 CA ASN A 117 6.779 2.992 3.899 1.00 0.00 C ATOM 1597 C ASN A 117 5.902 3.193 5.127 1.00 0.00 C ATOM 1598 O ASN A 117 6.048 4.163 5.869 1.00 0.00 O ATOM 1599 CB ASN A 117 6.051 3.576 2.675 1.00 0.00 C ATOM 1600 CG ASN A 117 4.551 3.781 2.891 1.00 0.00 C ATOM 1601 OD1 ASN A 117 3.745 2.786 2.554 1.00 0.00 O flip ATOM 1602 ND2 ASN A 117 4.111 4.831 3.345 1.00 0.00 N flip ATOM 0 H ASN A 117 6.663 1.141 2.897 1.00 0.00 H new ATOM 0 HA ASN A 117 7.732 3.508 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.506 4.532 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.199 2.911 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.750 5.585 3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.106 4.951 3.470 1.00 0.00 H new ATOM 1608 N GLY A 118 5.003 2.239 5.341 1.00 0.00 N ATOM 1609 CA GLY A 118 4.011 2.366 6.377 1.00 0.00 C ATOM 1610 C GLY A 118 2.607 2.053 5.881 1.00 0.00 C ATOM 1611 O GLY A 118 2.380 1.832 4.665 1.00 0.00 O ATOM 0 H GLY A 118 4.949 1.373 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.261 1.695 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.034 3.380 6.776 1.00 0.00 H new ATOM 1615 N THR A 119 1.693 1.957 6.840 1.00 0.00 N ATOM 1616 CA THR A 119 0.275 1.785 6.578 1.00 0.00 C ATOM 1617 C THR A 119 -0.513 3.023 7.001 1.00 0.00 C ATOM 1618 O THR A 119 -0.460 3.425 8.163 1.00 0.00 O ATOM 1619 CB THR A 119 -0.270 0.560 7.335 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.299 -0.637 6.793 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.790 0.489 7.269 1.00 0.00 C ATOM 0 H THR A 119 1.922 1.997 7.833 1.00 0.00 H new ATOM 0 HA THR A 119 0.155 1.634 5.505 1.00 0.00 H new ATOM 0 HB THR A 119 0.013 0.660 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.230 -1.359 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 119 -2.137 -0.389 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 119 -2.216 1.387 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 119 -2.106 0.418 6.228 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.240 3.622 6.071 1.00 0.00 N ATOM 1630 CA TYR A 120 -2.131 4.726 6.408 1.00 0.00 C ATOM 1631 C TYR A 120 -3.468 4.573 5.700 1.00 0.00 C ATOM 1632 O TYR A 120 -3.590 4.863 4.521 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.508 6.070 6.025 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.416 6.544 6.958 1.00 0.00 C ATOM 1635 CD1 TYR A 120 -0.727 7.254 8.108 1.00 0.00 C ATOM 1636 CD2 TYR A 120 0.924 6.301 6.677 1.00 0.00 C ATOM 1637 CE1 TYR A 120 0.260 7.704 8.958 1.00 0.00 C ATOM 1638 CE2 TYR A 120 1.920 6.752 7.520 1.00 0.00 C ATOM 1639 CZ TYR A 120 1.582 7.454 8.658 1.00 0.00 C ATOM 1640 OH TYR A 120 2.570 7.908 9.503 1.00 0.00 O ATOM 0 H TYR A 120 -1.233 3.366 5.084 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.289 4.702 7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.099 5.993 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.294 6.825 5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -1.762 7.458 8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.190 5.751 5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.001 8.249 9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.957 6.556 7.290 1.00 0.00 H new ATOM 0 HH TYR A 120 3.447 7.649 9.150 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.476 4.142 6.425 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.812 4.043 5.866 1.00 0.00 C ATOM 1651 C VAL A 121 -6.640 5.216 6.370 1.00 0.00 C ATOM 1652 O VAL A 121 -6.949 5.297 7.556 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.474 2.683 6.196 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -6.359 2.387 7.653 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -7.929 2.633 5.758 1.00 0.00 C ATOM 0 H VAL A 121 -4.400 3.854 7.401 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.752 4.089 4.779 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.939 1.918 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.830 1.427 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.307 2.346 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.857 3.171 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -8.352 1.660 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.490 3.416 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.990 2.787 4.681 1.00 0.00 H new ATOM 1665 N ASN A 122 -6.955 6.142 5.464 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.580 7.421 5.824 1.00 0.00 C ATOM 1667 C ASN A 122 -6.600 8.295 6.596 1.00 0.00 C ATOM 1668 O ASN A 122 -6.989 8.990 7.534 1.00 0.00 O ATOM 1669 CB ASN A 122 -8.844 7.216 6.666 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.986 6.601 5.883 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -10.004 5.281 5.809 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -10.838 7.309 5.344 1.00 0.00 N flip ATOM 0 H ASN A 122 -6.786 6.031 4.464 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.860 7.915 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.607 6.576 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.164 8.176 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.785 8.324 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -11.597 6.880 4.814 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.324 8.248 6.199 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.269 9.030 6.853 1.00 0.00 C ATOM 1680 C ARG A 123 -4.111 8.663 8.330 1.00 0.00 C ATOM 1681 O ARG A 123 -3.693 9.491 9.140 1.00 0.00 O ATOM 1682 CB ARG A 123 -4.538 10.533 6.710 1.00 0.00 C ATOM 1683 CG ARG A 123 -3.980 11.135 5.431 1.00 0.00 C ATOM 1684 CD ARG A 123 -2.467 11.295 5.510 1.00 0.00 C ATOM 1685 NE ARG A 123 -2.071 12.283 6.517 1.00 0.00 N ATOM 1686 CZ ARG A 123 -0.819 12.457 6.946 1.00 0.00 C ATOM 1687 NH1 ARG A 123 0.154 11.650 6.543 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -0.548 13.427 7.810 1.00 0.00 N ATOM 0 H ARG A 123 -4.995 7.673 5.423 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.334 8.785 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.614 10.705 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.106 11.053 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.237 10.498 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.442 12.106 5.252 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.013 10.333 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.083 11.597 4.536 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.799 12.876 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.051 10.887 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.107 11.793 6.878 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.295 14.036 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.407 13.563 8.140 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.466 7.432 8.681 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.226 6.928 10.027 1.00 0.00 C ATOM 1701 C GLU A 124 -3.753 5.476 9.980 1.00 0.00 C ATOM 1702 O GLU A 124 -4.218 4.685 9.154 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.493 7.039 10.881 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.645 6.201 10.362 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.898 6.334 11.193 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -8.524 7.412 11.169 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.266 5.356 11.872 1.00 0.00 O ATOM 0 H GLU A 124 -4.919 6.767 8.054 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.445 7.537 10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.262 6.733 11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.803 8.083 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.865 6.493 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.342 5.154 10.337 1.00 0.00 H new ATOM 1712 N PRO A 125 -2.797 5.116 10.843 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.339 3.745 10.998 1.00 0.00 C ATOM 1714 C PRO A 125 -3.296 2.936 11.867 1.00 0.00 C ATOM 1715 O PRO A 125 -3.586 3.314 13.005 1.00 0.00 O ATOM 1716 CB PRO A 125 -0.969 3.886 11.683 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.715 5.356 11.787 1.00 0.00 C ATOM 1718 CD PRO A 125 -2.065 6.008 11.730 1.00 0.00 C ATOM 0 HA PRO A 125 -2.285 3.217 10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -0.974 3.419 12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.189 3.394 11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.202 5.599 12.717 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.079 5.702 10.972 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.528 6.074 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.011 7.022 11.335 1.00 0.00 H new ATOM 1723 N VAL A 126 -3.794 1.837 11.324 1.00 0.00 N ATOM 1724 CA VAL A 126 -4.759 1.003 12.031 1.00 0.00 C ATOM 1725 C VAL A 126 -4.220 -0.401 12.260 1.00 0.00 C ATOM 1726 O VAL A 126 -3.092 -0.716 11.883 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.093 0.887 11.266 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.738 2.254 11.098 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.884 0.203 9.917 1.00 0.00 C ATOM 0 H VAL A 126 -3.547 1.499 10.394 1.00 0.00 H new ATOM 0 HA VAL A 126 -4.933 1.494 12.988 1.00 0.00 H new ATOM 0 HB VAL A 126 -6.773 0.268 11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.678 2.149 10.556 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.932 2.688 12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.067 2.906 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.838 0.131 9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.184 0.786 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.481 -0.797 10.075 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.036 -1.232 12.888 1.00 0.00 N ATOM 1740 CA ASP A 127 -4.708 -2.635 13.074 1.00 0.00 C ATOM 1741 C ASP A 127 -5.450 -3.478 12.046 1.00 0.00 C ATOM 1742 O ASP A 127 -4.855 -4.290 11.339 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.088 -3.089 14.485 1.00 0.00 C ATOM 1744 CG ASP A 127 -4.801 -4.557 14.715 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.622 -4.902 14.937 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -5.752 -5.370 14.693 1.00 0.00 O ATOM 0 H ASP A 127 -5.936 -0.956 13.280 1.00 0.00 H new ATOM 0 HA ASP A 127 -3.634 -2.764 12.941 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -4.538 -2.495 15.215 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.148 -2.898 14.652 1.00 0.00 H new ATOM 1750 N SER A 128 -6.751 -3.246 11.959 1.00 0.00 N ATOM 1751 CA SER A 128 -7.622 -3.989 11.067 1.00 0.00 C ATOM 1752 C SER A 128 -8.876 -3.169 10.792 1.00 0.00 C ATOM 1753 O SER A 128 -9.856 -3.234 11.536 1.00 0.00 O ATOM 1754 CB SER A 128 -7.965 -5.344 11.691 1.00 0.00 C ATOM 1755 OG SER A 128 -8.859 -6.089 10.880 1.00 0.00 O ATOM 0 H SER A 128 -7.232 -2.534 12.508 1.00 0.00 H new ATOM 0 HA SER A 128 -7.118 -4.175 10.118 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.050 -5.916 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.410 -5.189 12.674 1.00 0.00 H new ATOM 0 HG SER A 128 -9.053 -6.948 11.311 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.822 -2.382 9.728 1.00 0.00 N ATOM 1761 CA ALA A 129 -9.904 -1.473 9.386 1.00 0.00 C ATOM 1762 C ALA A 129 -10.864 -2.109 8.396 1.00 0.00 C ATOM 1763 O ALA A 129 -10.441 -2.785 7.457 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.341 -0.186 8.810 1.00 0.00 C ATOM 0 H ALA A 129 -8.033 -2.356 9.082 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.457 -1.248 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.159 0.488 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.694 0.290 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.765 -0.410 7.912 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.149 -1.886 8.611 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.178 -2.414 7.731 1.00 0.00 C ATOM 1772 C VAL A 130 -13.292 -1.541 6.487 1.00 0.00 C ATOM 1773 O VAL A 130 -13.394 -0.317 6.588 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.552 -2.471 8.436 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.569 -3.211 7.577 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -14.433 -3.119 9.807 1.00 0.00 C ATOM 0 H VAL A 130 -12.507 -1.339 9.394 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.889 -3.428 7.454 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.902 -1.448 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.529 -3.239 8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -15.684 -2.695 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.223 -4.229 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.413 -3.147 10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -14.054 -4.135 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.747 -2.540 10.425 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.258 -2.178 5.323 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.343 -1.470 4.054 1.00 0.00 C ATOM 1788 C LEU A 131 -14.666 -0.733 3.891 1.00 0.00 C ATOM 1789 O LEU A 131 -15.654 -1.053 4.557 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.169 -2.438 2.893 1.00 0.00 C ATOM 1791 CG LEU A 131 -11.727 -2.704 2.464 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -10.894 -1.438 2.598 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -11.109 -3.834 3.269 1.00 0.00 C ATOM 0 H LEU A 131 -13.172 -3.190 5.233 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.540 -0.733 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.629 -3.388 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -13.719 -2.050 2.035 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.739 -3.009 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -9.869 -1.643 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.315 -0.657 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -10.901 -1.106 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -10.083 -3.997 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -11.112 -3.571 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -11.688 -4.746 3.120 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.688 0.231 2.971 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.867 1.042 2.752 1.00 0.00 C ATOM 1806 C ALA A 132 -15.821 1.704 1.383 1.00 0.00 C ATOM 1807 O ALA A 132 -14.749 1.895 0.810 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.984 2.095 3.836 1.00 0.00 C ATOM 0 H ALA A 132 -13.898 0.463 2.369 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.742 0.393 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.874 2.699 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -16.060 1.609 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.102 2.735 3.818 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.994 2.048 0.867 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.112 2.674 -0.446 1.00 0.00 C ATOM 1816 C ASN A 133 -16.467 4.058 -0.427 1.00 0.00 C ATOM 1817 O ASN A 133 -17.035 5.002 0.127 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.597 2.782 -0.837 1.00 0.00 C ATOM 1819 CG ASN A 133 -18.824 3.296 -2.251 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -18.034 4.067 -2.794 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.922 2.873 -2.861 1.00 0.00 N ATOM 0 H ASN A 133 -17.885 1.903 1.342 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.595 2.060 -1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.061 1.801 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -19.101 3.445 -0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -20.132 3.187 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -20.557 2.234 -2.383 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.276 4.169 -1.009 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.589 5.446 -1.041 1.00 0.00 C ATOM 1829 C GLY A 134 -13.480 5.532 -0.013 1.00 0.00 C ATOM 1830 O GLY A 134 -12.886 6.588 0.180 1.00 0.00 O ATOM 0 H GLY A 134 -14.777 3.400 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.172 5.606 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.307 6.246 -0.864 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.222 4.423 0.665 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.213 4.379 1.720 1.00 0.00 C ATOM 1836 C ASP A 135 -10.820 4.155 1.130 1.00 0.00 C ATOM 1837 O ASP A 135 -10.578 3.138 0.482 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.557 3.255 2.697 1.00 0.00 C ATOM 1839 CG ASP A 135 -11.730 3.296 3.959 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -12.149 3.972 4.921 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -10.672 2.645 4.007 1.00 0.00 O ATOM 0 H ASP A 135 -13.699 3.536 0.504 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.207 5.334 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -13.613 3.320 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -12.409 2.294 2.204 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.915 5.116 1.328 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.555 5.003 0.801 1.00 0.00 C ATOM 1847 C GLU A 136 -7.574 4.424 1.834 1.00 0.00 C ATOM 1848 O GLU A 136 -7.605 4.778 3.014 1.00 0.00 O ATOM 1849 CB GLU A 136 -8.023 6.361 0.313 1.00 0.00 C ATOM 1850 CG GLU A 136 -8.808 6.994 -0.828 1.00 0.00 C ATOM 1851 CD GLU A 136 -9.947 7.881 -0.365 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -10.105 8.079 0.855 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -10.669 8.419 -1.237 1.00 0.00 O ATOM 0 H GLU A 136 -10.098 5.975 1.846 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.619 4.315 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -8.015 7.053 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -6.988 6.234 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.127 7.583 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -9.209 6.204 -1.463 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.684 3.552 1.357 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.647 2.936 2.188 1.00 0.00 C ATOM 1860 C VAL A 137 -4.280 3.130 1.535 1.00 0.00 C ATOM 1861 O VAL A 137 -4.121 2.901 0.342 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.875 1.411 2.380 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.932 0.841 3.441 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.326 1.111 2.725 1.00 0.00 C ATOM 0 H VAL A 137 -6.662 3.252 0.382 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.692 3.421 3.163 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.648 0.922 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.115 -0.228 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.899 1.002 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.110 1.342 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.455 0.036 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.593 1.621 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -7.971 1.460 1.919 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.303 3.566 2.304 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.942 3.662 1.812 1.00 0.00 C ATOM 1876 C GLN A 138 -1.159 2.414 2.178 1.00 0.00 C ATOM 1877 O GLN A 138 -1.073 2.038 3.353 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.225 4.884 2.387 1.00 0.00 C ATOM 1879 CG GLN A 138 0.228 4.994 1.940 1.00 0.00 C ATOM 1880 CD GLN A 138 0.369 5.340 0.483 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.453 4.888 -0.105 1.00 0.00 O flip ATOM 1882 NE2 GLN A 138 -0.471 6.013 -0.108 1.00 0.00 N flip ATOM 0 H GLN A 138 -3.425 3.860 3.273 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.995 3.763 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.760 5.785 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -1.261 4.839 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 138 0.730 5.754 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.735 4.049 2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -1.299 6.344 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -0.341 6.241 -1.094 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.609 1.760 1.174 1.00 0.00 N ATOM 1890 CA ILE A 139 0.349 0.697 1.400 1.00 0.00 C ATOM 1891 C ILE A 139 1.567 0.945 0.549 1.00 0.00 C ATOM 1892 O ILE A 139 1.436 1.407 -0.582 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.192 -0.729 1.089 1.00 0.00 C ATOM 1894 CG1 ILE A 139 0.559 -1.378 -0.078 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -1.683 -0.738 0.817 1.00 0.00 C ATOM 1896 CD1 ILE A 139 0.141 -2.800 -0.358 1.00 0.00 C ATOM 0 H ILE A 139 -0.810 1.947 0.192 1.00 0.00 H new ATOM 0 HA ILE A 139 0.581 0.718 2.465 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.015 -1.319 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 139 0.402 -0.780 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.628 -1.359 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.008 -1.757 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.215 -0.361 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -1.900 -0.103 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 139 0.717 -3.190 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 139 0.324 -3.413 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -0.921 -2.825 -0.604 1.00 0.00 H new ATOM 1907 N GLY A 140 2.742 0.686 1.105 1.00 0.00 N ATOM 1908 CA GLY A 140 3.948 0.626 0.283 1.00 0.00 C ATOM 1909 C GLY A 140 4.381 1.974 -0.274 1.00 0.00 C ATOM 1910 O GLY A 140 5.382 2.517 0.153 1.00 0.00 O ATOM 0 H GLY A 140 2.888 0.517 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.762 0.211 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.777 -0.061 -0.546 1.00 0.00 H new ATOM 1914 N LYS A 141 3.648 2.492 -1.252 1.00 0.00 N ATOM 1915 CA LYS A 141 3.895 3.822 -1.785 1.00 0.00 C ATOM 1916 C LYS A 141 2.757 4.237 -2.728 1.00 0.00 C ATOM 1917 O LYS A 141 2.862 5.220 -3.455 1.00 0.00 O ATOM 1918 CB LYS A 141 5.262 3.858 -2.484 1.00 0.00 C ATOM 1919 CG LYS A 141 5.491 2.734 -3.476 1.00 0.00 C ATOM 1920 CD LYS A 141 6.968 2.554 -3.827 1.00 0.00 C ATOM 1921 CE LYS A 141 7.536 3.704 -4.638 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.825 3.340 -5.289 1.00 0.00 N ATOM 0 H LYS A 141 2.870 2.003 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 141 3.920 4.544 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.365 4.811 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 141 6.045 3.822 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.104 1.803 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.927 2.937 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.543 2.448 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.091 1.627 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 141 6.816 4.002 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 141 7.688 4.566 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 9.180 4.152 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.521 3.080 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 8.675 2.533 -5.928 1.00 0.00 H new ATOM 1932 N PHE A 142 1.636 3.525 -2.622 1.00 0.00 N ATOM 1933 CA PHE A 142 0.526 3.625 -3.573 1.00 0.00 C ATOM 1934 C PHE A 142 -0.737 4.099 -2.860 1.00 0.00 C ATOM 1935 O PHE A 142 -0.953 3.753 -1.702 1.00 0.00 O ATOM 1936 CB PHE A 142 0.242 2.247 -4.188 1.00 0.00 C ATOM 1937 CG PHE A 142 1.475 1.430 -4.397 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.158 0.912 -3.312 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.954 1.184 -5.665 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.296 0.164 -3.491 1.00 0.00 C ATOM 1941 CE2 PHE A 142 3.094 0.435 -5.850 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.765 -0.076 -4.764 1.00 0.00 C ATOM 0 H PHE A 142 1.470 2.857 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 142 0.803 4.337 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.442 1.701 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.264 2.380 -5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.793 1.098 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.430 1.582 -6.522 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.822 -0.235 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 142 3.461 0.249 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.659 -0.665 -4.909 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.582 4.855 -3.553 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.831 5.331 -2.962 1.00 0.00 C ATOM 1953 C ARG A 143 -3.975 4.400 -3.345 1.00 0.00 C ATOM 1954 O ARG A 143 -4.432 4.412 -4.489 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.154 6.745 -3.445 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.204 7.454 -2.606 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.844 8.601 -3.373 1.00 0.00 C ATOM 1958 NE ARG A 143 -3.851 9.439 -4.049 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.156 10.449 -4.864 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -5.420 10.833 -5.020 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -3.190 11.092 -5.505 1.00 0.00 N ATOM 0 H ARG A 143 -1.428 5.150 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.711 5.344 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.239 7.338 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.499 6.696 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.972 6.742 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.746 7.835 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.539 8.199 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.427 9.214 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.865 9.237 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.165 10.354 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.644 11.607 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.218 10.813 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.419 11.865 -6.129 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.430 3.593 -2.400 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.499 2.636 -2.663 1.00 0.00 C ATOM 1974 C LEU A 144 -6.833 3.175 -2.202 1.00 0.00 C ATOM 1975 O LEU A 144 -6.888 4.013 -1.315 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.250 1.310 -1.947 1.00 0.00 C ATOM 1977 CG LEU A 144 -4.012 0.532 -2.374 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.742 1.142 -1.811 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -4.147 -0.911 -1.946 1.00 0.00 C ATOM 0 H LEU A 144 -4.077 3.580 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.514 2.473 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.177 1.508 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.122 0.673 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.936 0.581 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.882 0.558 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.642 2.167 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.789 1.140 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.260 -1.466 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.250 -0.961 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -5.029 -1.348 -2.414 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.899 2.705 -2.828 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.252 2.988 -2.378 1.00 0.00 C ATOM 1992 C VAL A 145 -10.104 1.738 -2.558 1.00 0.00 C ATOM 1993 O VAL A 145 -9.895 0.965 -3.489 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.903 4.185 -3.116 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -8.906 4.897 -4.011 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.123 3.743 -3.904 1.00 0.00 C ATOM 0 H VAL A 145 -7.851 2.118 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.195 3.270 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.231 4.897 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.398 5.731 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.079 5.273 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -8.524 4.200 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.560 4.603 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -10.829 2.997 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.858 3.311 -3.225 1.00 0.00 H new ATOM 2006 N PHE A 146 -11.038 1.528 -1.660 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.855 0.330 -1.694 1.00 0.00 C ATOM 2008 C PHE A 146 -13.202 0.539 -2.371 1.00 0.00 C ATOM 2009 O PHE A 146 -13.906 1.513 -2.098 1.00 0.00 O ATOM 2010 CB PHE A 146 -12.094 -0.191 -0.286 1.00 0.00 C ATOM 2011 CG PHE A 146 -13.138 -1.270 -0.227 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.824 -2.574 -0.546 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -14.437 -0.973 0.148 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -13.783 -3.561 -0.487 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -15.400 -1.956 0.211 1.00 0.00 C ATOM 2016 CZ PHE A 146 -15.071 -3.252 -0.107 1.00 0.00 C ATOM 0 H PHE A 146 -11.254 2.169 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.295 -0.395 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -11.157 -0.577 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -12.399 0.637 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -11.817 -2.824 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -14.700 0.045 0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -13.525 -4.579 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -16.408 -1.710 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 146 -15.821 -4.027 -0.059 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.547 -0.412 -3.238 1.00 0.00 N ATOM 2026 CA LEU A 147 -14.896 -0.554 -3.771 1.00 0.00 C ATOM 2027 C LEU A 147 -15.285 -2.029 -3.734 1.00 0.00 C ATOM 2028 O LEU A 147 -14.460 -2.902 -3.986 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.013 -0.025 -5.207 1.00 0.00 C ATOM 2030 CG LEU A 147 -15.088 1.498 -5.354 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -15.912 2.106 -4.227 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -13.699 2.108 -5.414 1.00 0.00 C ATOM 0 H LEU A 147 -12.892 -1.109 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.569 0.040 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.156 -0.384 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -15.903 -0.459 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.588 1.726 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -15.953 3.188 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -16.923 1.699 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -15.451 1.867 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.781 3.190 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -13.158 1.872 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.159 1.701 -6.269 1.00 0.00 H new