USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 HIS : no HE2:sc= -5.92! C(o=-15!,f=-26!) USER MOD Set 1.2: A 115 SER OG : rot -90:sc= 0 USER MOD Set 1.3: A 117 ASN : amide:sc= -9.68! K(o=-15!,f=-20) USER MOD Set 1.4: A 119 THR OG1 : rot 166:sc= 2.2 USER MOD Set 1.5: A 138 GLN : amide:sc= -1.2 K(o=-15,f=-20!) USER MOD Set 2.1: A 109 ASN :FLIP amide:sc= -0.886 F(o=-5.3!,f=-1.2) USER MOD Set 2.2: A 128 SER OG : rot 180:sc= -0.296 USER MOD Single : A 23 SER OG : rot 33:sc= 0.0429 USER MOD Single : A 55 SER OG : rot -113:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0288) USER MOD Single : A 65 ASN : amide:sc= 0.0475 K(o=0.048,f=-0.6) USER MOD Single : A 68 SER OG : rot 158:sc= 1.5 USER MOD Single : A 74 GLN : amide:sc= 0.0836! C(o=0.084!,f=-2!) USER MOD Single : A 77 THR OG1 : rot -130:sc= -2.63! USER MOD Single : A 78 SER OG : rot 130:sc= 0.744 USER MOD Single : A 82 HIS : no HD1:sc= -6.93! C(o=-6.9!,f=-11!) USER MOD Single : A 93 THR OG1 : rot -79:sc= -1.3 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.15 F(o=-2.5,f=-1.2) USER MOD Single : A 133 ASN : amide:sc= 0.0344 X(o=0.034,f=-0.022) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 305 N SER A 23 12.312 -1.365 -1.691 1.00 0.00 N ATOM 306 CA SER A 23 12.317 0.092 -1.918 1.00 0.00 C ATOM 307 C SER A 23 11.144 0.883 -1.331 1.00 0.00 C ATOM 308 O SER A 23 10.002 0.441 -1.315 1.00 0.00 O ATOM 309 CB SER A 23 12.370 0.365 -3.408 1.00 0.00 C ATOM 310 OG SER A 23 13.568 -0.138 -3.979 1.00 0.00 O ATOM 0 HA SER A 23 13.199 0.442 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.510 -0.095 -3.896 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.301 1.438 -3.587 1.00 0.00 H new ATOM 0 HG SER A 23 13.846 -0.945 -3.497 1.00 0.00 H new ATOM 315 N VAL A 24 11.455 2.110 -0.928 1.00 0.00 N ATOM 316 CA VAL A 24 10.503 2.998 -0.290 1.00 0.00 C ATOM 317 C VAL A 24 10.462 4.353 -0.994 1.00 0.00 C ATOM 318 O VAL A 24 11.482 4.797 -1.525 1.00 0.00 O ATOM 319 CB VAL A 24 10.910 3.190 1.174 1.00 0.00 C ATOM 320 CG1 VAL A 24 12.234 3.927 1.280 1.00 0.00 C ATOM 321 CG2 VAL A 24 9.825 3.899 1.970 1.00 0.00 C ATOM 0 H VAL A 24 12.384 2.515 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 24 9.509 2.554 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 24 11.039 2.199 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.499 4.050 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.011 3.354 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.143 4.907 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.150 4.017 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.637 4.880 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.909 3.308 1.943 1.00 0.00 H new ATOM 331 N PHE A 25 9.280 4.989 -1.014 1.00 0.00 N ATOM 332 CA PHE A 25 9.125 6.341 -1.566 1.00 0.00 C ATOM 333 C PHE A 25 7.641 6.720 -1.610 1.00 0.00 C ATOM 334 O PHE A 25 6.843 6.051 -0.973 1.00 0.00 O ATOM 335 CB PHE A 25 9.733 6.408 -2.977 1.00 0.00 C ATOM 336 CG PHE A 25 10.124 7.784 -3.424 1.00 0.00 C ATOM 337 CD1 PHE A 25 11.021 8.537 -2.685 1.00 0.00 C ATOM 338 CD2 PHE A 25 9.601 8.316 -4.588 1.00 0.00 C ATOM 339 CE1 PHE A 25 11.389 9.801 -3.100 1.00 0.00 C ATOM 340 CE2 PHE A 25 9.966 9.578 -5.011 1.00 0.00 C ATOM 341 CZ PHE A 25 10.863 10.322 -4.266 1.00 0.00 C ATOM 0 H PHE A 25 8.416 4.585 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 25 9.651 7.049 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.613 5.766 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.014 6.000 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.437 8.131 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.900 7.738 -5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.087 10.381 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.552 9.984 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.152 11.309 -4.596 1.00 0.00 H new ATOM 350 N ARG A 26 7.290 7.808 -2.332 1.00 0.00 N ATOM 351 CA ARG A 26 5.881 8.178 -2.594 1.00 0.00 C ATOM 352 C ARG A 26 5.068 8.121 -1.280 1.00 0.00 C ATOM 353 O ARG A 26 5.492 8.704 -0.275 1.00 0.00 O ATOM 354 CB ARG A 26 5.336 7.230 -3.697 1.00 0.00 C ATOM 355 CG ARG A 26 3.892 7.455 -4.168 1.00 0.00 C ATOM 356 CD ARG A 26 3.679 8.721 -4.962 1.00 0.00 C ATOM 357 NE ARG A 26 2.354 8.698 -5.595 1.00 0.00 N ATOM 358 CZ ARG A 26 2.166 8.728 -6.918 1.00 0.00 C ATOM 359 NH1 ARG A 26 3.210 8.764 -7.735 1.00 0.00 N ATOM 360 NH2 ARG A 26 0.936 8.716 -7.422 1.00 0.00 N ATOM 0 H ARG A 26 7.968 8.448 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 26 5.795 9.203 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.990 7.311 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.416 6.206 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.586 6.604 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.238 7.475 -3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.764 9.589 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.453 8.818 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 26 1.532 8.657 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.156 8.769 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.067 8.787 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.130 8.684 -6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.799 8.739 -8.432 1.00 0.00 H new ATOM 707 N SER A 55 -17.412 -10.819 -3.738 1.00 0.00 N ATOM 708 CA SER A 55 -16.056 -10.431 -4.044 1.00 0.00 C ATOM 709 C SER A 55 -15.950 -8.914 -4.006 1.00 0.00 C ATOM 710 O SER A 55 -16.676 -8.209 -4.708 1.00 0.00 O ATOM 711 CB SER A 55 -15.650 -10.943 -5.422 1.00 0.00 C ATOM 712 OG SER A 55 -16.394 -12.098 -5.780 1.00 0.00 O ATOM 0 HA SER A 55 -15.385 -10.867 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.808 -10.161 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.585 -11.177 -5.427 1.00 0.00 H new ATOM 0 HG SER A 55 -15.797 -12.874 -5.814 1.00 0.00 H new ATOM 717 N ALA A 56 -15.046 -8.425 -3.189 1.00 0.00 N ATOM 718 CA ALA A 56 -14.825 -6.999 -3.043 1.00 0.00 C ATOM 719 C ALA A 56 -13.335 -6.735 -3.135 1.00 0.00 C ATOM 720 O ALA A 56 -12.552 -7.686 -3.165 1.00 0.00 O ATOM 721 CB ALA A 56 -15.393 -6.503 -1.727 1.00 0.00 C ATOM 0 H ALA A 56 -14.441 -9.002 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.338 -6.457 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.217 -5.431 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.465 -6.699 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.906 -7.022 -0.902 1.00 0.00 H new ATOM 727 N LEU A 57 -12.920 -5.480 -3.216 1.00 0.00 N ATOM 728 CA LEU A 57 -11.503 -5.211 -3.362 1.00 0.00 C ATOM 729 C LEU A 57 -11.091 -3.818 -2.928 1.00 0.00 C ATOM 730 O LEU A 57 -11.822 -2.839 -3.092 1.00 0.00 O ATOM 731 CB LEU A 57 -11.065 -5.479 -4.814 1.00 0.00 C ATOM 732 CG LEU A 57 -11.981 -4.915 -5.913 1.00 0.00 C ATOM 733 CD1 LEU A 57 -11.769 -3.419 -6.104 1.00 0.00 C ATOM 734 CD2 LEU A 57 -11.751 -5.650 -7.224 1.00 0.00 C ATOM 0 H LEU A 57 -13.523 -4.658 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.989 -5.893 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.067 -5.064 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.984 -6.557 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.012 -5.069 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.433 -3.055 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.989 -2.898 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.734 -3.232 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.407 -5.239 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.712 -5.529 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.969 -6.710 -7.090 1.00 0.00 H new ATOM 745 N LEU A 58 -9.916 -3.771 -2.322 1.00 0.00 N ATOM 746 CA LEU A 58 -9.187 -2.523 -2.139 1.00 0.00 C ATOM 747 C LEU A 58 -8.332 -2.296 -3.368 1.00 0.00 C ATOM 748 O LEU A 58 -7.362 -3.013 -3.568 1.00 0.00 O ATOM 749 CB LEU A 58 -8.243 -2.605 -0.935 1.00 0.00 C ATOM 750 CG LEU A 58 -8.857 -2.748 0.446 1.00 0.00 C ATOM 751 CD1 LEU A 58 -9.299 -4.174 0.704 1.00 0.00 C ATOM 752 CD2 LEU A 58 -7.838 -2.313 1.482 1.00 0.00 C ATOM 0 H LEU A 58 -9.441 -4.591 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.906 -1.720 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.575 -3.452 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.625 -1.707 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.743 -2.116 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.735 -4.245 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.042 -4.465 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.439 -4.840 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.268 -2.411 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.951 -2.941 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.562 -1.273 1.307 1.00 0.00 H new ATOM 763 N VAL A 59 -8.661 -1.304 -4.166 1.00 0.00 N ATOM 764 CA VAL A 59 -7.962 -1.087 -5.420 1.00 0.00 C ATOM 765 C VAL A 59 -7.063 0.148 -5.346 1.00 0.00 C ATOM 766 O VAL A 59 -7.507 1.243 -5.006 1.00 0.00 O ATOM 767 CB VAL A 59 -8.961 -0.959 -6.605 1.00 0.00 C ATOM 768 CG1 VAL A 59 -10.010 0.112 -6.336 1.00 0.00 C ATOM 769 CG2 VAL A 59 -8.230 -0.674 -7.911 1.00 0.00 C ATOM 0 H VAL A 59 -9.406 -0.635 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.331 -1.958 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.474 -1.916 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.692 0.175 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.571 -0.146 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.519 1.075 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.953 -0.590 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.675 0.260 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.538 -1.488 -8.126 1.00 0.00 H new ATOM 779 N VAL A 60 -5.788 -0.036 -5.643 1.00 0.00 N ATOM 780 CA VAL A 60 -4.859 1.069 -5.690 1.00 0.00 C ATOM 781 C VAL A 60 -5.165 1.877 -6.942 1.00 0.00 C ATOM 782 O VAL A 60 -5.022 1.394 -8.077 1.00 0.00 O ATOM 783 CB VAL A 60 -3.380 0.580 -5.630 1.00 0.00 C ATOM 784 CG1 VAL A 60 -3.320 -0.817 -5.053 1.00 0.00 C ATOM 785 CG2 VAL A 60 -2.670 0.615 -6.960 1.00 0.00 C ATOM 0 H VAL A 60 -5.376 -0.945 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.981 1.707 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.855 1.283 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.283 -1.151 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.737 -0.813 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.896 -1.495 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.647 0.260 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.193 -0.027 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.656 1.637 -7.338 1.00 0.00 H new ATOM 795 N LYS A 61 -5.673 3.085 -6.708 1.00 0.00 N ATOM 796 CA LYS A 61 -6.153 3.934 -7.779 1.00 0.00 C ATOM 797 C LYS A 61 -4.979 4.419 -8.614 1.00 0.00 C ATOM 798 O LYS A 61 -4.796 3.993 -9.749 1.00 0.00 O ATOM 799 CB LYS A 61 -6.937 5.128 -7.220 1.00 0.00 C ATOM 800 CG LYS A 61 -7.638 5.951 -8.286 1.00 0.00 C ATOM 801 CD LYS A 61 -8.730 5.145 -8.958 1.00 0.00 C ATOM 802 CE LYS A 61 -9.251 5.830 -10.212 1.00 0.00 C ATOM 803 NZ LYS A 61 -9.834 7.166 -9.916 1.00 0.00 N ATOM 0 H LYS A 61 -5.760 3.494 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.826 3.353 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.678 4.764 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.254 5.773 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.066 6.847 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.914 6.282 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.346 4.158 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.552 4.994 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.438 5.940 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.007 5.201 -10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.208 7.584 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.605 7.063 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.098 7.787 -9.523 1.00 0.00 H new ATOM 813 N ARG A 62 -4.173 5.294 -8.032 1.00 0.00 N ATOM 814 CA ARG A 62 -2.981 5.782 -8.697 1.00 0.00 C ATOM 815 C ARG A 62 -1.848 5.966 -7.703 1.00 0.00 C ATOM 816 O ARG A 62 -2.002 6.601 -6.659 1.00 0.00 O ATOM 817 CB ARG A 62 -3.242 7.086 -9.458 1.00 0.00 C ATOM 818 CG ARG A 62 -4.090 6.889 -10.704 1.00 0.00 C ATOM 819 CD ARG A 62 -3.608 7.744 -11.865 1.00 0.00 C ATOM 820 NE ARG A 62 -3.774 9.175 -11.625 1.00 0.00 N ATOM 821 CZ ARG A 62 -4.103 10.045 -12.583 1.00 0.00 C ATOM 822 NH1 ARG A 62 -4.273 9.630 -13.831 1.00 0.00 N ATOM 823 NH2 ARG A 62 -4.243 11.335 -12.301 1.00 0.00 N ATOM 0 H ARG A 62 -4.325 5.679 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.689 5.028 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.740 7.793 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.288 7.532 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.068 5.839 -10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.127 7.136 -10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.555 7.532 -12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.155 7.466 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.632 9.527 -10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.152 8.644 -14.061 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.524 10.297 -14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.099 11.667 -11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.494 11.994 -13.038 1.00 0.00 H new ATOM 834 N GLY A 63 -0.722 5.379 -8.041 1.00 0.00 N ATOM 835 CA GLY A 63 0.464 5.441 -7.240 1.00 0.00 C ATOM 836 C GLY A 63 1.632 4.944 -8.054 1.00 0.00 C ATOM 837 O GLY A 63 1.591 5.024 -9.278 1.00 0.00 O ATOM 0 H GLY A 63 -0.610 4.837 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.643 6.465 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.345 4.834 -6.343 1.00 0.00 H new ATOM 841 N PRO A 64 2.673 4.420 -7.420 1.00 0.00 N ATOM 842 CA PRO A 64 3.830 3.872 -8.125 1.00 0.00 C ATOM 843 C PRO A 64 3.459 2.782 -9.124 1.00 0.00 C ATOM 844 O PRO A 64 3.592 2.970 -10.334 1.00 0.00 O ATOM 845 CB PRO A 64 4.699 3.317 -7.007 1.00 0.00 C ATOM 846 CG PRO A 64 4.308 4.110 -5.825 1.00 0.00 C ATOM 847 CD PRO A 64 2.843 4.368 -5.974 1.00 0.00 C ATOM 0 HA PRO A 64 4.328 4.630 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.519 2.253 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.760 3.431 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.518 3.567 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.867 5.045 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.244 3.576 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.546 5.302 -5.497 1.00 0.00 H new ATOM 852 N ASN A 65 2.994 1.644 -8.620 1.00 0.00 N ATOM 853 CA ASN A 65 2.479 0.595 -9.501 1.00 0.00 C ATOM 854 C ASN A 65 1.178 1.071 -10.086 1.00 0.00 C ATOM 855 O ASN A 65 0.970 1.045 -11.300 1.00 0.00 O ATOM 856 CB ASN A 65 2.213 -0.703 -8.728 1.00 0.00 C ATOM 857 CG ASN A 65 2.041 -1.923 -9.619 1.00 0.00 C ATOM 858 OD1 ASN A 65 3.017 -2.546 -10.029 1.00 0.00 O ATOM 859 ND2 ASN A 65 0.803 -2.293 -9.903 1.00 0.00 N ATOM 0 H ASN A 65 2.962 1.424 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 65 3.220 0.393 -10.275 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.039 -0.881 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.315 -0.577 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.637 -3.118 -10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.015 -1.753 -9.546 1.00 0.00 H new ATOM 865 N ALA A 66 0.332 1.551 -9.184 1.00 0.00 N ATOM 866 CA ALA A 66 -1.049 1.932 -9.508 1.00 0.00 C ATOM 867 C ALA A 66 -1.838 0.787 -10.157 1.00 0.00 C ATOM 868 O ALA A 66 -1.271 -0.204 -10.617 1.00 0.00 O ATOM 869 CB ALA A 66 -1.066 3.147 -10.422 1.00 0.00 C ATOM 0 H ALA A 66 0.578 1.690 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.537 2.175 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.097 3.415 -10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.576 3.984 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.537 2.914 -11.346 1.00 0.00 H new ATOM 875 N GLY A 67 -3.159 0.899 -10.135 1.00 0.00 N ATOM 876 CA GLY A 67 -3.987 -0.005 -10.905 1.00 0.00 C ATOM 877 C GLY A 67 -4.204 -1.360 -10.256 1.00 0.00 C ATOM 878 O GLY A 67 -4.894 -2.204 -10.827 1.00 0.00 O ATOM 0 H GLY A 67 -3.671 1.599 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.957 0.464 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.530 -0.153 -11.884 1.00 0.00 H new ATOM 882 N SER A 68 -3.636 -1.595 -9.074 1.00 0.00 N ATOM 883 CA SER A 68 -3.729 -2.930 -8.484 1.00 0.00 C ATOM 884 C SER A 68 -4.827 -2.969 -7.432 1.00 0.00 C ATOM 885 O SER A 68 -5.580 -2.019 -7.296 1.00 0.00 O ATOM 886 CB SER A 68 -2.386 -3.353 -7.890 1.00 0.00 C ATOM 887 OG SER A 68 -2.419 -4.678 -7.385 1.00 0.00 O ATOM 0 H SER A 68 -3.124 -0.907 -8.522 1.00 0.00 H new ATOM 0 HA SER A 68 -3.985 -3.639 -9.271 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.612 -3.276 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.112 -2.667 -7.088 1.00 0.00 H new ATOM 0 HG SER A 68 -1.507 -5.034 -7.342 1.00 0.00 H new ATOM 892 N ARG A 69 -4.914 -4.064 -6.692 1.00 0.00 N ATOM 893 CA ARG A 69 -5.997 -4.245 -5.722 1.00 0.00 C ATOM 894 C ARG A 69 -5.760 -5.468 -4.840 1.00 0.00 C ATOM 895 O ARG A 69 -4.938 -6.324 -5.175 1.00 0.00 O ATOM 896 CB ARG A 69 -7.349 -4.387 -6.441 1.00 0.00 C ATOM 897 CG ARG A 69 -7.630 -5.768 -7.027 1.00 0.00 C ATOM 898 CD ARG A 69 -6.638 -6.159 -8.112 1.00 0.00 C ATOM 899 NE ARG A 69 -5.731 -7.221 -7.672 1.00 0.00 N ATOM 900 CZ ARG A 69 -5.738 -8.462 -8.166 1.00 0.00 C ATOM 901 NH1 ARG A 69 -6.667 -8.823 -9.042 1.00 0.00 N ATOM 902 NH2 ARG A 69 -4.841 -9.348 -7.751 1.00 0.00 N ATOM 0 H ARG A 69 -4.254 -4.840 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.015 -3.359 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.144 -4.139 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.394 -3.652 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.600 -6.510 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.639 -5.785 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.181 -6.490 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.057 -5.284 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.052 -7.000 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.376 -8.153 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.672 -9.771 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.145 -9.081 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.847 -10.295 -8.129 1.00 0.00 H new ATOM 913 N PHE A 70 -6.487 -5.557 -3.723 1.00 0.00 N ATOM 914 CA PHE A 70 -6.504 -6.768 -2.938 1.00 0.00 C ATOM 915 C PHE A 70 -7.728 -7.541 -3.381 1.00 0.00 C ATOM 916 O PHE A 70 -8.822 -6.968 -3.424 1.00 0.00 O ATOM 917 CB PHE A 70 -6.638 -6.513 -1.417 1.00 0.00 C ATOM 918 CG PHE A 70 -5.752 -5.464 -0.799 1.00 0.00 C ATOM 919 CD1 PHE A 70 -4.914 -4.676 -1.556 1.00 0.00 C ATOM 920 CD2 PHE A 70 -5.785 -5.267 0.575 1.00 0.00 C ATOM 921 CE1 PHE A 70 -4.124 -3.716 -0.967 1.00 0.00 C ATOM 922 CE2 PHE A 70 -4.994 -4.305 1.170 1.00 0.00 C ATOM 923 CZ PHE A 70 -4.164 -3.527 0.397 1.00 0.00 C ATOM 0 H PHE A 70 -7.065 -4.802 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.562 -7.294 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.673 -6.239 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.451 -7.455 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.876 -4.813 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.437 -5.874 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.471 -3.109 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.027 -4.163 2.240 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.546 -2.771 0.858 1.00 0.00 H new ATOM 932 N LEU A 71 -7.554 -8.812 -3.714 1.00 0.00 N ATOM 933 CA LEU A 71 -8.659 -9.633 -4.160 1.00 0.00 C ATOM 934 C LEU A 71 -9.363 -10.229 -2.957 1.00 0.00 C ATOM 935 O LEU A 71 -8.954 -11.239 -2.409 1.00 0.00 O ATOM 936 CB LEU A 71 -8.164 -10.717 -5.126 1.00 0.00 C ATOM 937 CG LEU A 71 -9.128 -11.872 -5.370 1.00 0.00 C ATOM 938 CD1 LEU A 71 -9.209 -12.206 -6.850 1.00 0.00 C ATOM 939 CD2 LEU A 71 -8.690 -13.085 -4.567 1.00 0.00 C ATOM 0 H LEU A 71 -6.655 -9.293 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.376 -9.019 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.937 -10.249 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.229 -11.123 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.124 -11.573 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.903 -13.033 -6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.560 -11.334 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.222 -12.491 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.382 -13.908 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.687 -13.382 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.686 -12.837 -3.506 1.00 0.00 H new ATOM 950 N LEU A 72 -10.424 -9.592 -2.534 1.00 0.00 N ATOM 951 CA LEU A 72 -11.117 -10.028 -1.338 1.00 0.00 C ATOM 952 C LEU A 72 -12.185 -11.051 -1.707 1.00 0.00 C ATOM 953 O LEU A 72 -13.238 -11.131 -1.078 1.00 0.00 O ATOM 954 CB LEU A 72 -11.755 -8.844 -0.589 1.00 0.00 C ATOM 955 CG LEU A 72 -10.814 -7.874 0.137 1.00 0.00 C ATOM 956 CD1 LEU A 72 -9.545 -7.617 -0.625 1.00 0.00 C ATOM 957 CD2 LEU A 72 -11.517 -6.569 0.382 1.00 0.00 C ATOM 0 H LEU A 72 -10.829 -8.775 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.386 -10.486 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.342 -8.270 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.453 -9.247 0.144 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.541 -8.345 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.918 -6.924 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.010 -8.556 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.785 -7.184 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.844 -5.884 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.818 -6.133 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.400 -6.741 0.997 1.00 0.00 H new ATOM 968 N ASP A 73 -11.907 -11.814 -2.754 1.00 0.00 N ATOM 969 CA ASP A 73 -12.809 -12.863 -3.204 1.00 0.00 C ATOM 970 C ASP A 73 -12.616 -14.106 -2.350 1.00 0.00 C ATOM 971 O ASP A 73 -13.547 -14.879 -2.130 1.00 0.00 O ATOM 972 CB ASP A 73 -12.552 -13.185 -4.680 1.00 0.00 C ATOM 973 CG ASP A 73 -13.463 -14.273 -5.213 1.00 0.00 C ATOM 974 OD1 ASP A 73 -14.585 -13.954 -5.649 1.00 0.00 O ATOM 975 OD2 ASP A 73 -13.057 -15.450 -5.206 1.00 0.00 O ATOM 0 H ASP A 73 -11.057 -11.725 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.838 -12.518 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.689 -12.281 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.514 -13.494 -4.804 1.00 0.00 H new ATOM 979 N GLN A 74 -11.405 -14.267 -1.836 1.00 0.00 N ATOM 980 CA GLN A 74 -11.079 -15.413 -0.997 1.00 0.00 C ATOM 981 C GLN A 74 -11.224 -15.033 0.474 1.00 0.00 C ATOM 982 O GLN A 74 -11.833 -14.016 0.777 1.00 0.00 O ATOM 983 CB GLN A 74 -9.674 -15.933 -1.309 1.00 0.00 C ATOM 984 CG GLN A 74 -8.565 -14.934 -1.041 1.00 0.00 C ATOM 985 CD GLN A 74 -7.247 -15.368 -1.644 1.00 0.00 C ATOM 986 OE1 GLN A 74 -7.209 -16.021 -2.684 1.00 0.00 O ATOM 987 NE2 GLN A 74 -6.161 -15.018 -0.990 1.00 0.00 N ATOM 0 H GLN A 74 -10.631 -13.619 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.777 -16.223 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.491 -16.829 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.634 -16.230 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.847 -13.963 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.446 -14.806 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.236 -14.475 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.243 -15.289 -1.343 1.00 0.00 H new ATOM 994 N ALA A 75 -10.711 -15.848 1.384 1.00 0.00 N ATOM 995 CA ALA A 75 -10.843 -15.552 2.808 1.00 0.00 C ATOM 996 C ALA A 75 -9.857 -14.479 3.271 1.00 0.00 C ATOM 997 O ALA A 75 -10.198 -13.637 4.104 1.00 0.00 O ATOM 998 CB ALA A 75 -10.667 -16.814 3.632 1.00 0.00 C ATOM 0 H ALA A 75 -10.206 -16.708 1.169 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.848 -15.159 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.769 -16.575 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.428 -17.542 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.678 -17.234 3.448 1.00 0.00 H new ATOM 1004 N ILE A 76 -8.634 -14.504 2.742 1.00 0.00 N ATOM 1005 CA ILE A 76 -7.611 -13.555 3.175 1.00 0.00 C ATOM 1006 C ILE A 76 -6.458 -13.457 2.169 1.00 0.00 C ATOM 1007 O ILE A 76 -5.983 -14.470 1.651 1.00 0.00 O ATOM 1008 CB ILE A 76 -7.112 -13.907 4.613 1.00 0.00 C ATOM 1009 CG1 ILE A 76 -5.909 -13.045 5.057 1.00 0.00 C ATOM 1010 CG2 ILE A 76 -6.777 -15.382 4.725 1.00 0.00 C ATOM 1011 CD1 ILE A 76 -4.550 -13.585 4.650 1.00 0.00 C ATOM 0 H ILE A 76 -8.331 -15.161 2.023 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.064 -12.565 3.214 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.935 -13.678 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.025 -12.044 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.934 -12.945 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.432 -15.601 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.666 -15.974 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.992 -15.632 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.770 -12.912 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.405 -14.573 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.498 -13.658 3.564 1.00 0.00 H new ATOM 1022 N THR A 77 -6.037 -12.220 1.886 1.00 0.00 N ATOM 1023 CA THR A 77 -4.981 -11.940 0.909 1.00 0.00 C ATOM 1024 C THR A 77 -3.836 -11.139 1.532 1.00 0.00 C ATOM 1025 O THR A 77 -4.086 -10.137 2.199 1.00 0.00 O ATOM 1026 CB THR A 77 -5.517 -11.101 -0.264 1.00 0.00 C ATOM 1027 OG1 THR A 77 -6.111 -9.892 0.220 1.00 0.00 O ATOM 1028 CG2 THR A 77 -6.528 -11.876 -1.070 1.00 0.00 C ATOM 0 H THR A 77 -6.419 -11.384 2.329 1.00 0.00 H new ATOM 0 HA THR A 77 -4.626 -12.911 0.564 1.00 0.00 H new ATOM 0 HB THR A 77 -4.675 -10.856 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.001 -9.783 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.889 -11.258 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.061 -12.776 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.366 -12.156 -0.431 1.00 0.00 H new ATOM 1036 N SER A 78 -2.591 -11.547 1.291 1.00 0.00 N ATOM 1037 CA SER A 78 -1.436 -10.748 1.706 1.00 0.00 C ATOM 1038 C SER A 78 -1.261 -9.578 0.740 1.00 0.00 C ATOM 1039 O SER A 78 -1.181 -9.776 -0.471 1.00 0.00 O ATOM 1040 CB SER A 78 -0.184 -11.610 1.754 1.00 0.00 C ATOM 1041 OG SER A 78 -0.357 -12.709 2.628 1.00 0.00 O ATOM 0 H SER A 78 -2.356 -12.418 0.815 1.00 0.00 H new ATOM 0 HA SER A 78 -1.605 -10.355 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.052 -11.971 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.663 -11.009 2.084 1.00 0.00 H new ATOM 0 HG SER A 78 -0.094 -13.535 2.171 1.00 0.00 H new ATOM 1046 N ALA A 79 -1.207 -8.365 1.267 1.00 0.00 N ATOM 1047 CA ALA A 79 -1.318 -7.179 0.432 1.00 0.00 C ATOM 1048 C ALA A 79 -0.100 -6.273 0.487 1.00 0.00 C ATOM 1049 O ALA A 79 0.157 -5.639 1.510 1.00 0.00 O ATOM 1050 CB ALA A 79 -2.542 -6.400 0.855 1.00 0.00 C ATOM 0 H ALA A 79 -1.088 -8.176 2.262 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.397 -7.523 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.637 -5.508 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.429 -7.022 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.444 -6.108 1.901 1.00 0.00 H new ATOM 1056 N GLY A 80 0.628 -6.182 -0.624 1.00 0.00 N ATOM 1057 CA GLY A 80 1.719 -5.244 -0.713 1.00 0.00 C ATOM 1058 C GLY A 80 2.733 -5.658 -1.749 1.00 0.00 C ATOM 1059 O GLY A 80 2.641 -5.290 -2.911 1.00 0.00 O ATOM 0 H GLY A 80 0.476 -6.745 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.330 -4.257 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.206 -5.160 0.259 1.00 0.00 H new ATOM 1063 N ARG A 81 3.693 -6.440 -1.325 1.00 0.00 N ATOM 1064 CA ARG A 81 4.704 -6.949 -2.211 1.00 0.00 C ATOM 1065 C ARG A 81 4.472 -8.427 -2.425 1.00 0.00 C ATOM 1066 O ARG A 81 4.724 -9.256 -1.548 1.00 0.00 O ATOM 1067 CB ARG A 81 6.100 -6.657 -1.669 1.00 0.00 C ATOM 1068 CG ARG A 81 7.186 -7.503 -2.307 1.00 0.00 C ATOM 1069 CD ARG A 81 7.839 -8.435 -1.310 1.00 0.00 C ATOM 1070 NE ARG A 81 9.199 -8.004 -0.990 1.00 0.00 N ATOM 1071 CZ ARG A 81 10.301 -8.708 -1.257 1.00 0.00 C ATOM 1072 NH1 ARG A 81 10.215 -9.920 -1.786 1.00 0.00 N ATOM 1073 NH2 ARG A 81 11.495 -8.206 -0.970 1.00 0.00 N ATOM 0 H ARG A 81 3.794 -6.741 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 81 4.636 -6.446 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.330 -5.604 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.105 -6.825 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.759 -8.087 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.943 -6.852 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.243 -8.471 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.862 -9.446 -1.716 1.00 0.00 H new ATOM 0 HE ARG A 81 9.314 -7.101 -0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.301 -10.323 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.063 -10.450 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.571 -7.282 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.337 -8.744 -1.174 1.00 0.00 H new ATOM 1084 N HIS A 82 3.950 -8.752 -3.583 1.00 0.00 N ATOM 1085 CA HIS A 82 3.562 -10.108 -3.864 1.00 0.00 C ATOM 1086 C HIS A 82 4.113 -10.573 -5.197 1.00 0.00 C ATOM 1087 O HIS A 82 3.616 -10.184 -6.253 1.00 0.00 O ATOM 1088 CB HIS A 82 2.049 -10.218 -3.880 1.00 0.00 C ATOM 1089 CG HIS A 82 1.522 -10.930 -2.695 1.00 0.00 C ATOM 1090 ND1 HIS A 82 2.318 -11.287 -1.631 1.00 0.00 N ATOM 1091 CD2 HIS A 82 0.294 -11.410 -2.428 1.00 0.00 C ATOM 1092 CE1 HIS A 82 1.598 -11.970 -0.769 1.00 0.00 C ATOM 1093 NE2 HIS A 82 0.364 -12.057 -1.228 1.00 0.00 N ATOM 0 H HIS A 82 3.785 -8.094 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 82 3.973 -10.744 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.615 -9.219 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.735 -10.741 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.584 -11.303 -3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.956 -12.390 0.159 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -0.411 -12.530 -0.763 1.00 0.00 H new ATOM 1133 N ASP A 86 -1.835 -12.941 -4.232 1.00 0.00 N ATOM 1134 CA ASP A 86 -2.998 -12.023 -4.193 1.00 0.00 C ATOM 1135 C ASP A 86 -2.726 -10.596 -4.701 1.00 0.00 C ATOM 1136 O ASP A 86 -2.918 -10.305 -5.882 1.00 0.00 O ATOM 1137 CB ASP A 86 -3.549 -11.951 -2.758 1.00 0.00 C ATOM 1138 CG ASP A 86 -3.200 -13.181 -1.936 1.00 0.00 C ATOM 1139 OD1 ASP A 86 -3.824 -14.239 -2.137 1.00 0.00 O ATOM 1140 OD2 ASP A 86 -2.276 -13.094 -1.096 1.00 0.00 O ATOM 0 HA ASP A 86 -3.723 -12.449 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.152 -11.064 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.633 -11.838 -2.794 1.00 0.00 H new ATOM 1144 N ILE A 87 -2.300 -9.704 -3.809 1.00 0.00 N ATOM 1145 CA ILE A 87 -2.177 -8.283 -4.144 1.00 0.00 C ATOM 1146 C ILE A 87 -0.712 -7.863 -4.286 1.00 0.00 C ATOM 1147 O ILE A 87 0.052 -7.849 -3.314 1.00 0.00 O ATOM 1148 CB ILE A 87 -2.954 -7.390 -3.116 1.00 0.00 C ATOM 1149 CG1 ILE A 87 -2.201 -6.105 -2.725 1.00 0.00 C ATOM 1150 CG2 ILE A 87 -3.342 -8.173 -1.875 1.00 0.00 C ATOM 1151 CD1 ILE A 87 -2.397 -4.958 -3.691 1.00 0.00 C ATOM 0 H ILE A 87 -2.035 -9.937 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.642 -8.128 -5.118 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.861 -7.078 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.529 -5.792 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.136 -6.328 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.879 -7.521 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.983 -9.008 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.443 -8.553 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.835 -4.091 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.042 -5.250 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.456 -4.705 -3.746 1.00 0.00 H new ATOM 1162 N PHE A 88 -0.321 -7.581 -5.528 1.00 0.00 N ATOM 1163 CA PHE A 88 1.002 -7.060 -5.834 1.00 0.00 C ATOM 1164 C PHE A 88 0.956 -5.562 -6.063 1.00 0.00 C ATOM 1165 O PHE A 88 0.159 -5.072 -6.858 1.00 0.00 O ATOM 1166 CB PHE A 88 1.606 -7.713 -7.087 1.00 0.00 C ATOM 1167 CG PHE A 88 0.672 -8.588 -7.876 1.00 0.00 C ATOM 1168 CD1 PHE A 88 -0.448 -8.059 -8.505 1.00 0.00 C ATOM 1169 CD2 PHE A 88 0.926 -9.944 -7.996 1.00 0.00 C ATOM 1170 CE1 PHE A 88 -1.295 -8.870 -9.234 1.00 0.00 C ATOM 1171 CE2 PHE A 88 0.084 -10.758 -8.726 1.00 0.00 C ATOM 1172 CZ PHE A 88 -1.028 -10.221 -9.346 1.00 0.00 C ATOM 0 H PHE A 88 -0.915 -7.709 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 88 1.626 -7.294 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.978 -6.925 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.467 -8.310 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.658 -7.003 -8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.793 -10.369 -7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.165 -8.449 -9.716 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.294 -11.814 -8.813 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.688 -10.857 -9.918 1.00 0.00 H new ATOM 1181 N LEU A 89 1.800 -4.845 -5.351 1.00 0.00 N ATOM 1182 CA LEU A 89 2.019 -3.438 -5.609 1.00 0.00 C ATOM 1183 C LEU A 89 3.478 -3.189 -5.928 1.00 0.00 C ATOM 1184 O LEU A 89 4.267 -2.860 -5.042 1.00 0.00 O ATOM 1185 CB LEU A 89 1.580 -2.590 -4.417 1.00 0.00 C ATOM 1186 CG LEU A 89 0.085 -2.336 -4.348 1.00 0.00 C ATOM 1187 CD1 LEU A 89 -0.223 -1.176 -3.428 1.00 0.00 C ATOM 1188 CD2 LEU A 89 -0.441 -2.066 -5.734 1.00 0.00 C ATOM 0 H LEU A 89 2.352 -5.220 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 89 1.416 -3.148 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.895 -3.085 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.098 -1.632 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.406 -3.221 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.300 -1.014 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.141 -1.400 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.268 -0.277 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.515 -1.883 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.058 -1.190 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.248 -2.929 -6.371 1.00 0.00 H new ATOM 1199 N ASP A 90 3.834 -3.421 -7.193 1.00 0.00 N ATOM 1200 CA ASP A 90 5.198 -3.214 -7.696 1.00 0.00 C ATOM 1201 C ASP A 90 6.133 -4.284 -7.133 1.00 0.00 C ATOM 1202 O ASP A 90 7.255 -4.456 -7.596 1.00 0.00 O ATOM 1203 CB ASP A 90 5.691 -1.798 -7.342 1.00 0.00 C ATOM 1204 CG ASP A 90 7.001 -1.420 -8.011 1.00 0.00 C ATOM 1205 OD1 ASP A 90 7.102 -1.569 -9.245 1.00 0.00 O ATOM 1206 OD2 ASP A 90 7.909 -0.921 -7.309 1.00 0.00 O ATOM 0 H ASP A 90 3.183 -3.759 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 90 5.195 -3.304 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.926 -1.075 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.811 -1.725 -6.261 1.00 0.00 H new ATOM 1210 N ASP A 91 5.599 -5.019 -6.144 1.00 0.00 N ATOM 1211 CA ASP A 91 6.295 -6.069 -5.392 1.00 0.00 C ATOM 1212 C ASP A 91 7.733 -5.702 -5.062 1.00 0.00 C ATOM 1213 O ASP A 91 8.600 -6.566 -4.944 1.00 0.00 O ATOM 1214 CB ASP A 91 6.212 -7.443 -6.088 1.00 0.00 C ATOM 1215 CG ASP A 91 6.778 -7.476 -7.498 1.00 0.00 C ATOM 1216 OD1 ASP A 91 8.002 -7.677 -7.658 1.00 0.00 O ATOM 1217 OD2 ASP A 91 5.988 -7.347 -8.458 1.00 0.00 O ATOM 0 H ASP A 91 4.635 -4.891 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 91 5.765 -6.153 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.744 -8.175 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.168 -7.755 -6.123 1.00 0.00 H new ATOM 1221 N VAL A 92 7.955 -4.420 -4.852 1.00 0.00 N ATOM 1222 CA VAL A 92 9.280 -3.905 -4.583 1.00 0.00 C ATOM 1223 C VAL A 92 9.245 -2.880 -3.453 1.00 0.00 C ATOM 1224 O VAL A 92 10.277 -2.495 -2.934 1.00 0.00 O ATOM 1225 CB VAL A 92 9.872 -3.281 -5.877 1.00 0.00 C ATOM 1226 CG1 VAL A 92 11.016 -2.303 -5.604 1.00 0.00 C ATOM 1227 CG2 VAL A 92 10.356 -4.376 -6.811 1.00 0.00 C ATOM 0 H VAL A 92 7.224 -3.709 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 92 9.920 -4.728 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 92 9.066 -2.713 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 92 11.385 -1.902 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 92 10.655 -1.486 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.824 -2.823 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.769 -3.927 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.127 -4.964 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.520 -5.023 -7.077 1.00 0.00 H new ATOM 1237 N THR A 93 8.057 -2.472 -3.026 1.00 0.00 N ATOM 1238 CA THR A 93 7.966 -1.374 -2.071 1.00 0.00 C ATOM 1239 C THR A 93 7.449 -1.812 -0.696 1.00 0.00 C ATOM 1240 O THR A 93 7.481 -1.043 0.269 1.00 0.00 O ATOM 1241 CB THR A 93 7.056 -0.249 -2.601 1.00 0.00 C ATOM 1242 OG1 THR A 93 5.759 -0.359 -2.024 1.00 0.00 O ATOM 1243 CG2 THR A 93 6.908 -0.304 -4.121 1.00 0.00 C ATOM 0 H THR A 93 7.164 -2.872 -3.316 1.00 0.00 H new ATOM 0 HA THR A 93 8.986 -1.010 -1.951 1.00 0.00 H new ATOM 0 HB THR A 93 7.524 0.696 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.253 -1.059 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.259 0.506 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.888 -0.197 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.471 -1.260 -4.410 1.00 0.00 H new ATOM 1251 N VAL A 94 6.967 -3.038 -0.597 1.00 0.00 N ATOM 1252 CA VAL A 94 6.293 -3.482 0.618 1.00 0.00 C ATOM 1253 C VAL A 94 6.978 -4.707 1.199 1.00 0.00 C ATOM 1254 O VAL A 94 7.496 -5.523 0.455 1.00 0.00 O ATOM 1255 CB VAL A 94 4.819 -3.833 0.332 1.00 0.00 C ATOM 1256 CG1 VAL A 94 4.017 -3.891 1.618 1.00 0.00 C ATOM 1257 CG2 VAL A 94 4.203 -2.848 -0.647 1.00 0.00 C ATOM 0 H VAL A 94 7.027 -3.741 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 94 6.341 -2.661 1.333 1.00 0.00 H new ATOM 0 HB VAL A 94 4.793 -4.821 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.981 -4.140 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.437 -4.653 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.056 -2.922 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.163 -3.119 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.247 -1.843 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.756 -2.874 -1.586 1.00 0.00 H new ATOM 1267 N SER A 95 6.974 -4.839 2.523 1.00 0.00 N ATOM 1268 CA SER A 95 7.545 -6.013 3.173 1.00 0.00 C ATOM 1269 C SER A 95 6.563 -7.180 3.044 1.00 0.00 C ATOM 1270 O SER A 95 5.911 -7.569 4.015 1.00 0.00 O ATOM 1271 CB SER A 95 7.850 -5.708 4.644 1.00 0.00 C ATOM 1272 OG SER A 95 8.820 -6.600 5.169 1.00 0.00 O ATOM 0 H SER A 95 6.583 -4.149 3.164 1.00 0.00 H new ATOM 0 HA SER A 95 8.483 -6.285 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.208 -4.683 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.933 -5.780 5.229 1.00 0.00 H new ATOM 0 HG SER A 95 8.994 -6.379 6.108 1.00 0.00 H new ATOM 1277 N ARG A 96 6.479 -7.723 1.823 1.00 0.00 N ATOM 1278 CA ARG A 96 5.401 -8.647 1.411 1.00 0.00 C ATOM 1279 C ARG A 96 4.002 -8.027 1.546 1.00 0.00 C ATOM 1280 O ARG A 96 3.240 -7.995 0.593 1.00 0.00 O ATOM 1281 CB ARG A 96 5.407 -9.981 2.166 1.00 0.00 C ATOM 1282 CG ARG A 96 3.988 -10.511 2.338 1.00 0.00 C ATOM 1283 CD ARG A 96 3.833 -11.990 2.088 1.00 0.00 C ATOM 1284 NE ARG A 96 4.324 -12.402 0.785 1.00 0.00 N ATOM 1285 CZ ARG A 96 5.324 -13.274 0.621 1.00 0.00 C ATOM 1286 NH1 ARG A 96 6.023 -13.675 1.674 1.00 0.00 N ATOM 1287 NH2 ARG A 96 5.635 -13.729 -0.588 1.00 0.00 N ATOM 0 H ARG A 96 7.158 -7.536 1.085 1.00 0.00 H new ATOM 0 HA ARG A 96 5.618 -8.841 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.009 -10.709 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.872 -9.849 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.653 -10.291 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.328 -9.971 1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.367 -12.541 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.780 -12.259 2.175 1.00 0.00 H new ATOM 0 HE ARG A 96 3.884 -12.007 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.796 -13.318 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.787 -14.340 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.109 -13.413 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.400 -14.394 -0.701 1.00 0.00 H new ATOM 1298 N ARG A 97 3.641 -7.611 2.738 1.00 0.00 N ATOM 1299 CA ARG A 97 2.300 -7.124 2.994 1.00 0.00 C ATOM 1300 C ARG A 97 2.312 -5.955 3.963 1.00 0.00 C ATOM 1301 O ARG A 97 3.049 -5.940 4.945 1.00 0.00 O ATOM 1302 CB ARG A 97 1.427 -8.265 3.550 1.00 0.00 C ATOM 1303 CG ARG A 97 1.978 -8.886 4.829 1.00 0.00 C ATOM 1304 CD ARG A 97 1.014 -9.890 5.458 1.00 0.00 C ATOM 1305 NE ARG A 97 1.022 -11.192 4.788 1.00 0.00 N ATOM 1306 CZ ARG A 97 1.634 -12.278 5.276 1.00 0.00 C ATOM 1307 NH1 ARG A 97 2.316 -12.208 6.415 1.00 0.00 N ATOM 1308 NH2 ARG A 97 1.568 -13.428 4.622 1.00 0.00 N ATOM 0 H ARG A 97 4.258 -7.599 3.550 1.00 0.00 H new ATOM 0 HA ARG A 97 1.880 -6.772 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.425 -7.883 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.331 -9.041 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.922 -9.384 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.194 -8.096 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.275 -10.027 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.004 -9.481 5.431 1.00 0.00 H new ATOM 0 HE ARG A 97 0.533 -11.276 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.375 -11.324 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.781 -13.038 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.050 -13.487 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.035 -14.254 4.995 1.00 0.00 H new ATOM 1319 N HIS A 98 1.518 -4.956 3.626 1.00 0.00 N ATOM 1320 CA HIS A 98 1.207 -3.872 4.533 1.00 0.00 C ATOM 1321 C HIS A 98 0.173 -4.385 5.500 1.00 0.00 C ATOM 1322 O HIS A 98 0.171 -4.070 6.686 1.00 0.00 O ATOM 1323 CB HIS A 98 0.659 -2.666 3.739 1.00 0.00 C ATOM 1324 CG HIS A 98 -0.808 -2.365 3.965 1.00 0.00 C ATOM 1325 ND1 HIS A 98 -1.232 -1.483 4.928 1.00 0.00 N ATOM 1326 CD2 HIS A 98 -1.950 -2.831 3.360 1.00 0.00 C ATOM 1327 CE1 HIS A 98 -2.548 -1.405 4.913 1.00 0.00 C ATOM 1328 NE2 HIS A 98 -3.009 -2.211 3.976 1.00 0.00 N ATOM 0 H HIS A 98 1.071 -4.875 2.713 1.00 0.00 H new ATOM 0 HA HIS A 98 2.096 -3.540 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.241 -1.782 4.002 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.818 -2.847 2.676 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.621 -0.966 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.004 -3.548 2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.149 -0.784 5.561 1.00 0.00 H new ATOM 1336 N ALA A 99 -0.703 -5.185 4.940 1.00 0.00 N ATOM 1337 CA ALA A 99 -1.789 -5.768 5.656 1.00 0.00 C ATOM 1338 C ALA A 99 -2.262 -6.976 4.896 1.00 0.00 C ATOM 1339 O ALA A 99 -1.741 -7.286 3.822 1.00 0.00 O ATOM 1340 CB ALA A 99 -2.922 -4.770 5.816 1.00 0.00 C ATOM 0 H ALA A 99 -0.671 -5.448 3.955 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.459 -6.058 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.741 -5.234 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.565 -3.899 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.275 -4.459 4.833 1.00 0.00 H new ATOM 1346 N GLU A 100 -3.226 -7.649 5.447 1.00 0.00 N ATOM 1347 CA GLU A 100 -3.875 -8.727 4.760 1.00 0.00 C ATOM 1348 C GLU A 100 -5.365 -8.582 4.919 1.00 0.00 C ATOM 1349 O GLU A 100 -5.861 -8.253 6.000 1.00 0.00 O ATOM 1350 CB GLU A 100 -3.372 -10.078 5.272 1.00 0.00 C ATOM 1351 CG GLU A 100 -3.227 -10.144 6.780 1.00 0.00 C ATOM 1352 CD GLU A 100 -2.906 -11.537 7.269 1.00 0.00 C ATOM 1353 OE1 GLU A 100 -1.770 -12.003 7.057 1.00 0.00 O ATOM 1354 OE2 GLU A 100 -3.795 -12.162 7.879 1.00 0.00 O ATOM 0 H GLU A 100 -3.586 -7.468 6.384 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.634 -8.687 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.060 -10.858 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.407 -10.294 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.439 -9.461 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.151 -9.803 7.246 1.00 0.00 H new ATOM 1359 N PHE A 101 -6.056 -8.752 3.809 1.00 0.00 N ATOM 1360 CA PHE A 101 -7.491 -8.712 3.792 1.00 0.00 C ATOM 1361 C PHE A 101 -7.978 -9.859 4.616 1.00 0.00 C ATOM 1362 O PHE A 101 -7.892 -11.008 4.214 1.00 0.00 O ATOM 1363 CB PHE A 101 -8.027 -8.779 2.350 1.00 0.00 C ATOM 1364 CG PHE A 101 -9.234 -9.662 2.207 1.00 0.00 C ATOM 1365 CD1 PHE A 101 -10.415 -9.379 2.878 1.00 0.00 C ATOM 1366 CD2 PHE A 101 -9.169 -10.801 1.426 1.00 0.00 C ATOM 1367 CE1 PHE A 101 -11.502 -10.215 2.766 1.00 0.00 C ATOM 1368 CE2 PHE A 101 -10.256 -11.635 1.306 1.00 0.00 C ATOM 1369 CZ PHE A 101 -11.424 -11.344 1.980 1.00 0.00 C ATOM 0 H PHE A 101 -5.631 -8.921 2.897 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.855 -7.773 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.280 -7.773 2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.238 -9.144 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.482 -8.494 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.254 -11.039 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.416 -9.986 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.195 -12.517 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.277 -12.001 1.892 1.00 0.00 H new ATOM 1378 N ARG A 102 -8.422 -9.556 5.794 1.00 0.00 N ATOM 1379 CA ARG A 102 -8.892 -10.580 6.650 1.00 0.00 C ATOM 1380 C ARG A 102 -10.410 -10.544 6.704 1.00 0.00 C ATOM 1381 O ARG A 102 -10.992 -9.579 7.205 1.00 0.00 O ATOM 1382 CB ARG A 102 -8.301 -10.395 8.033 1.00 0.00 C ATOM 1383 CG ARG A 102 -8.578 -11.541 8.974 1.00 0.00 C ATOM 1384 CD ARG A 102 -7.723 -11.405 10.209 1.00 0.00 C ATOM 1385 NE ARG A 102 -6.321 -11.208 9.853 1.00 0.00 N ATOM 1386 CZ ARG A 102 -5.326 -11.257 10.737 1.00 0.00 C ATOM 1387 NH1 ARG A 102 -5.584 -11.366 12.035 1.00 0.00 N ATOM 1388 NH2 ARG A 102 -4.069 -11.180 10.332 1.00 0.00 N ATOM 0 H ARG A 102 -8.466 -8.612 6.177 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.582 -11.552 6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.223 -10.265 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.698 -9.477 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.633 -11.551 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.369 -12.489 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.072 -10.563 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.824 -12.298 10.826 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.091 -11.023 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.549 -11.413 12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.817 -11.403 12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.858 -11.083 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.311 -11.218 11.013 1.00 0.00 H new ATOM 1399 N LEU A 103 -11.056 -11.561 6.163 1.00 0.00 N ATOM 1400 CA LEU A 103 -12.505 -11.610 6.189 1.00 0.00 C ATOM 1401 C LEU A 103 -12.983 -12.193 7.510 1.00 0.00 C ATOM 1402 O LEU A 103 -12.920 -13.405 7.743 1.00 0.00 O ATOM 1403 CB LEU A 103 -13.054 -12.408 5.001 1.00 0.00 C ATOM 1404 CG LEU A 103 -14.580 -12.321 4.788 1.00 0.00 C ATOM 1405 CD1 LEU A 103 -14.947 -12.730 3.375 1.00 0.00 C ATOM 1406 CD2 LEU A 103 -15.330 -13.190 5.774 1.00 0.00 C ATOM 0 H LEU A 103 -10.607 -12.354 5.706 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.887 -10.593 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.558 -12.062 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.783 -13.455 5.133 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.869 -11.283 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -16.027 -12.662 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.454 -12.067 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.624 -13.756 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.401 -13.103 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.024 -14.229 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.105 -12.865 6.790 1.00 0.00 H new ATOM 1417 N GLU A 104 -13.455 -11.310 8.367 1.00 0.00 N ATOM 1418 CA GLU A 104 -14.038 -11.683 9.640 1.00 0.00 C ATOM 1419 C GLU A 104 -15.394 -11.020 9.748 1.00 0.00 C ATOM 1420 O GLU A 104 -15.549 -9.893 9.305 1.00 0.00 O ATOM 1421 CB GLU A 104 -13.148 -11.245 10.804 1.00 0.00 C ATOM 1422 CG GLU A 104 -11.761 -11.863 10.776 1.00 0.00 C ATOM 1423 CD GLU A 104 -10.957 -11.540 12.017 1.00 0.00 C ATOM 1424 OE1 GLU A 104 -10.295 -10.485 12.047 1.00 0.00 O ATOM 1425 OE2 GLU A 104 -10.978 -12.346 12.966 1.00 0.00 O ATOM 0 H GLU A 104 -13.445 -10.304 8.198 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.135 -12.767 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.053 -10.159 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.635 -11.509 11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.851 -12.945 10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.225 -11.505 9.897 1.00 0.00 H new ATOM 1430 N ASN A 105 -16.369 -11.724 10.307 1.00 0.00 N ATOM 1431 CA ASN A 105 -17.749 -11.232 10.382 1.00 0.00 C ATOM 1432 C ASN A 105 -18.307 -11.044 8.974 1.00 0.00 C ATOM 1433 O ASN A 105 -19.137 -10.164 8.737 1.00 0.00 O ATOM 1434 CB ASN A 105 -17.836 -9.894 11.134 1.00 0.00 C ATOM 1435 CG ASN A 105 -17.149 -9.901 12.486 1.00 0.00 C ATOM 1436 OD1 ASN A 105 -17.091 -10.922 13.170 1.00 0.00 O ATOM 1437 ND2 ASN A 105 -16.609 -8.752 12.872 1.00 0.00 N ATOM 0 H ASN A 105 -16.233 -12.647 10.720 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.333 -11.973 10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.393 -9.112 10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.886 -9.634 11.272 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.123 -8.692 13.767 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.680 -7.929 12.274 1.00 0.00 H new ATOM 1443 N ASN A 106 -17.832 -11.877 8.046 1.00 0.00 N ATOM 1444 CA ASN A 106 -18.242 -11.818 6.635 1.00 0.00 C ATOM 1445 C ASN A 106 -17.869 -10.489 5.979 1.00 0.00 C ATOM 1446 O ASN A 106 -18.319 -10.193 4.874 1.00 0.00 O ATOM 1447 CB ASN A 106 -19.745 -12.044 6.491 1.00 0.00 C ATOM 1448 CG ASN A 106 -20.169 -13.452 6.853 1.00 0.00 C ATOM 1449 OD1 ASN A 106 -20.424 -13.756 8.016 1.00 0.00 O ATOM 1450 ND2 ASN A 106 -20.266 -14.318 5.857 1.00 0.00 N ATOM 0 H ASN A 106 -17.153 -12.611 8.247 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.702 -12.615 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -20.276 -11.336 7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -20.042 -11.834 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -20.561 -15.277 6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -20.045 -14.027 4.905 1.00 0.00 H new ATOM 1456 N GLU A 107 -17.044 -9.695 6.643 1.00 0.00 N ATOM 1457 CA GLU A 107 -16.649 -8.413 6.103 1.00 0.00 C ATOM 1458 C GLU A 107 -15.148 -8.375 5.865 1.00 0.00 C ATOM 1459 O GLU A 107 -14.369 -8.999 6.589 1.00 0.00 O ATOM 1460 CB GLU A 107 -17.094 -7.267 7.018 1.00 0.00 C ATOM 1461 CG GLU A 107 -16.663 -7.418 8.464 1.00 0.00 C ATOM 1462 CD GLU A 107 -17.054 -6.235 9.320 1.00 0.00 C ATOM 1463 OE1 GLU A 107 -18.245 -6.117 9.676 1.00 0.00 O ATOM 1464 OE2 GLU A 107 -16.168 -5.421 9.647 1.00 0.00 O ATOM 0 H GLU A 107 -16.639 -9.918 7.552 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.149 -8.279 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.695 -6.331 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -18.181 -7.190 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.108 -8.323 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.581 -7.548 8.504 1.00 0.00 H new ATOM 1469 N PHE A 108 -14.757 -7.649 4.837 1.00 0.00 N ATOM 1470 CA PHE A 108 -13.372 -7.607 4.405 1.00 0.00 C ATOM 1471 C PHE A 108 -12.662 -6.436 5.065 1.00 0.00 C ATOM 1472 O PHE A 108 -13.060 -5.293 4.888 1.00 0.00 O ATOM 1473 CB PHE A 108 -13.311 -7.472 2.879 1.00 0.00 C ATOM 1474 CG PHE A 108 -14.505 -8.061 2.174 1.00 0.00 C ATOM 1475 CD1 PHE A 108 -14.525 -9.394 1.792 1.00 0.00 C ATOM 1476 CD2 PHE A 108 -15.612 -7.274 1.895 1.00 0.00 C ATOM 1477 CE1 PHE A 108 -15.626 -9.928 1.150 1.00 0.00 C ATOM 1478 CE2 PHE A 108 -16.713 -7.804 1.254 1.00 0.00 C ATOM 1479 CZ PHE A 108 -16.721 -9.131 0.879 1.00 0.00 C ATOM 0 H PHE A 108 -15.387 -7.073 4.278 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.874 -8.531 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.230 -6.417 2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.407 -7.960 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.671 -10.022 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.612 -6.233 2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -15.630 -10.968 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.569 -7.179 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.581 -9.546 0.375 1.00 0.00 H new ATOM 1488 N ASN A 109 -11.627 -6.721 5.841 1.00 0.00 N ATOM 1489 CA ASN A 109 -10.902 -5.678 6.571 1.00 0.00 C ATOM 1490 C ASN A 109 -9.427 -5.731 6.192 1.00 0.00 C ATOM 1491 O ASN A 109 -8.966 -6.735 5.648 1.00 0.00 O ATOM 1492 CB ASN A 109 -10.999 -5.871 8.101 1.00 0.00 C ATOM 1493 CG ASN A 109 -12.393 -5.701 8.694 1.00 0.00 C ATOM 1494 OD1 ASN A 109 -13.411 -6.227 8.038 1.00 0.00 O flip ATOM 1495 ND2 ASN A 109 -12.544 -5.135 9.775 1.00 0.00 N flip ATOM 0 H ASN A 109 -11.266 -7.664 5.985 1.00 0.00 H new ATOM 0 HA ASN A 109 -11.352 -4.722 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -10.637 -6.869 8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -10.328 -5.160 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.739 -4.738 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -13.474 -5.063 10.187 1.00 0.00 H new ATOM 1501 N VAL A 110 -8.683 -4.666 6.476 1.00 0.00 N ATOM 1502 CA VAL A 110 -7.233 -4.714 6.332 1.00 0.00 C ATOM 1503 C VAL A 110 -6.556 -4.741 7.682 1.00 0.00 C ATOM 1504 O VAL A 110 -6.648 -3.779 8.436 1.00 0.00 O ATOM 1505 CB VAL A 110 -6.633 -3.523 5.562 1.00 0.00 C ATOM 1506 CG1 VAL A 110 -5.979 -4.013 4.306 1.00 0.00 C ATOM 1507 CG2 VAL A 110 -7.653 -2.446 5.252 1.00 0.00 C ATOM 0 H VAL A 110 -9.053 -3.773 6.802 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.052 -5.626 5.763 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.888 -3.059 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.555 -3.168 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.186 -4.716 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.720 -4.511 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.171 -1.634 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.452 -2.867 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.071 -2.062 6.183 1.00 0.00 H new ATOM 1517 N VAL A 111 -5.823 -5.807 7.951 1.00 0.00 N ATOM 1518 CA VAL A 111 -5.099 -5.920 9.205 1.00 0.00 C ATOM 1519 C VAL A 111 -3.647 -5.547 8.982 1.00 0.00 C ATOM 1520 O VAL A 111 -2.906 -6.288 8.336 1.00 0.00 O ATOM 1521 CB VAL A 111 -5.150 -7.358 9.766 1.00 0.00 C ATOM 1522 CG1 VAL A 111 -4.281 -7.485 11.010 1.00 0.00 C ATOM 1523 CG2 VAL A 111 -6.581 -7.772 10.065 1.00 0.00 C ATOM 0 H VAL A 111 -5.714 -6.603 7.322 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.571 -5.248 9.922 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.754 -8.031 9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.333 -8.506 11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.248 -7.243 10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.639 -6.797 11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.591 -8.788 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.010 -7.093 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.170 -7.732 9.149 1.00 0.00 H new ATOM 1533 N ASP A 112 -3.246 -4.411 9.537 1.00 0.00 N ATOM 1534 CA ASP A 112 -1.897 -3.898 9.336 1.00 0.00 C ATOM 1535 C ASP A 112 -0.884 -4.815 10.009 1.00 0.00 C ATOM 1536 O ASP A 112 -1.095 -5.256 11.141 1.00 0.00 O ATOM 1537 CB ASP A 112 -1.753 -2.485 9.900 1.00 0.00 C ATOM 1538 CG ASP A 112 -0.302 -2.039 9.945 1.00 0.00 C ATOM 1539 OD1 ASP A 112 0.367 -2.058 8.889 1.00 0.00 O ATOM 1540 OD2 ASP A 112 0.183 -1.695 11.040 1.00 0.00 O ATOM 0 H ASP A 112 -3.836 -3.827 10.130 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.709 -3.865 8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.328 -1.790 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.175 -2.450 10.904 1.00 0.00 H new ATOM 1544 N VAL A 113 0.213 -5.094 9.327 1.00 0.00 N ATOM 1545 CA VAL A 113 1.220 -5.999 9.852 1.00 0.00 C ATOM 1546 C VAL A 113 2.603 -5.401 9.677 1.00 0.00 C ATOM 1547 O VAL A 113 3.614 -6.031 9.995 1.00 0.00 O ATOM 1548 CB VAL A 113 1.168 -7.379 9.166 1.00 0.00 C ATOM 1549 CG1 VAL A 113 -0.127 -8.110 9.504 1.00 0.00 C ATOM 1550 CG2 VAL A 113 1.318 -7.227 7.662 1.00 0.00 C ATOM 0 H VAL A 113 0.429 -4.707 8.408 1.00 0.00 H new ATOM 0 HA VAL A 113 1.008 -6.140 10.912 1.00 0.00 H new ATOM 0 HB VAL A 113 1.999 -7.977 9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.137 -9.080 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.193 -8.254 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.978 -7.519 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.279 -8.209 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.508 -6.608 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.274 -6.755 7.438 1.00 0.00 H new ATOM 1560 N GLY A 114 2.644 -4.179 9.164 1.00 0.00 N ATOM 1561 CA GLY A 114 3.902 -3.505 8.999 1.00 0.00 C ATOM 1562 C GLY A 114 4.499 -3.679 7.616 1.00 0.00 C ATOM 1563 O GLY A 114 4.934 -4.772 7.247 1.00 0.00 O ATOM 0 H GLY A 114 1.827 -3.649 8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.765 -2.442 9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 114 4.607 -3.879 9.741 1.00 0.00 H new ATOM 1567 N SER A 115 4.520 -2.600 6.850 1.00 0.00 N ATOM 1568 CA SER A 115 5.183 -2.599 5.553 1.00 0.00 C ATOM 1569 C SER A 115 6.439 -1.745 5.619 1.00 0.00 C ATOM 1570 O SER A 115 6.645 -1.032 6.602 1.00 0.00 O ATOM 1571 CB SER A 115 4.253 -2.087 4.455 1.00 0.00 C ATOM 1572 OG SER A 115 3.664 -0.851 4.804 1.00 0.00 O ATOM 0 H SER A 115 4.086 -1.712 7.103 1.00 0.00 H new ATOM 0 HA SER A 115 5.455 -3.625 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.813 -1.974 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.471 -2.823 4.268 1.00 0.00 H new ATOM 0 HG SER A 115 2.819 -1.012 5.274 1.00 0.00 H new ATOM 1577 N LEU A 116 7.275 -1.797 4.587 1.00 0.00 N ATOM 1578 CA LEU A 116 8.544 -1.075 4.636 1.00 0.00 C ATOM 1579 C LEU A 116 8.325 0.446 4.711 1.00 0.00 C ATOM 1580 O LEU A 116 8.812 1.101 5.629 1.00 0.00 O ATOM 1581 CB LEU A 116 9.407 -1.437 3.431 1.00 0.00 C ATOM 1582 CG LEU A 116 10.867 -1.008 3.542 1.00 0.00 C ATOM 1583 CD1 LEU A 116 11.788 -2.201 3.355 1.00 0.00 C ATOM 1584 CD2 LEU A 116 11.174 0.078 2.529 1.00 0.00 C ATOM 0 H LEU A 116 7.105 -2.317 3.726 1.00 0.00 H new ATOM 0 HA LEU A 116 9.066 -1.376 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.370 -2.517 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.975 -0.980 2.541 1.00 0.00 H new ATOM 0 HG LEU A 116 11.038 -0.603 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.825 -1.876 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.579 -2.946 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.622 -2.638 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.219 0.375 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.990 -0.300 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.534 0.941 2.715 1.00 0.00 H new ATOM 1595 N ASN A 117 7.579 0.996 3.758 1.00 0.00 N ATOM 1596 CA ASN A 117 7.264 2.435 3.745 1.00 0.00 C ATOM 1597 C ASN A 117 6.363 2.847 4.924 1.00 0.00 C ATOM 1598 O ASN A 117 6.528 3.928 5.488 1.00 0.00 O ATOM 1599 CB ASN A 117 6.531 2.797 2.464 1.00 0.00 C ATOM 1600 CG ASN A 117 5.097 2.315 2.482 1.00 0.00 C ATOM 1601 OD1 ASN A 117 4.184 3.073 2.201 1.00 0.00 O ATOM 1602 ND2 ASN A 117 4.889 1.034 2.779 1.00 0.00 N ATOM 0 H ASN A 117 7.177 0.473 2.980 1.00 0.00 H new ATOM 0 HA ASN A 117 8.216 2.960 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.549 3.878 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.051 2.360 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.941 0.657 2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.678 0.429 3.009 1.00 0.00 H new ATOM 1608 N GLY A 118 5.413 1.978 5.288 1.00 0.00 N ATOM 1609 CA GLY A 118 4.394 2.334 6.257 1.00 0.00 C ATOM 1610 C GLY A 118 2.966 2.039 5.774 1.00 0.00 C ATOM 1611 O GLY A 118 2.716 1.819 4.561 1.00 0.00 O ATOM 0 H GLY A 118 5.336 1.029 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.577 1.789 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.479 3.395 6.490 1.00 0.00 H new ATOM 1615 N THR A 119 2.050 1.978 6.745 1.00 0.00 N ATOM 1616 CA THR A 119 0.618 1.802 6.507 1.00 0.00 C ATOM 1617 C THR A 119 -0.169 3.064 6.887 1.00 0.00 C ATOM 1618 O THR A 119 0.014 3.603 7.978 1.00 0.00 O ATOM 1619 CB THR A 119 0.079 0.612 7.329 1.00 0.00 C ATOM 1620 OG1 THR A 119 0.546 -0.625 6.773 1.00 0.00 O ATOM 1621 CG2 THR A 119 -1.443 0.613 7.385 1.00 0.00 C ATOM 0 H THR A 119 2.289 2.051 7.734 1.00 0.00 H new ATOM 0 HA THR A 119 0.485 1.608 5.443 1.00 0.00 H new ATOM 0 HB THR A 119 0.453 0.717 8.347 1.00 0.00 H new ATOM 0 HG1 THR A 119 0.397 -1.349 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 119 -1.786 -0.239 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 119 -1.789 1.536 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 119 -1.844 0.542 6.374 1.00 0.00 H new ATOM 1629 N TYR A 120 -1.044 3.523 5.997 1.00 0.00 N ATOM 1630 CA TYR A 120 -1.912 4.663 6.293 1.00 0.00 C ATOM 1631 C TYR A 120 -3.310 4.469 5.707 1.00 0.00 C ATOM 1632 O TYR A 120 -3.507 4.620 4.514 1.00 0.00 O ATOM 1633 CB TYR A 120 -1.296 5.945 5.733 1.00 0.00 C ATOM 1634 CG TYR A 120 -0.721 6.865 6.785 1.00 0.00 C ATOM 1635 CD1 TYR A 120 0.483 6.578 7.415 1.00 0.00 C ATOM 1636 CD2 TYR A 120 -1.385 8.025 7.146 1.00 0.00 C ATOM 1637 CE1 TYR A 120 1.004 7.422 8.375 1.00 0.00 C ATOM 1638 CE2 TYR A 120 -0.875 8.874 8.104 1.00 0.00 C ATOM 1639 CZ TYR A 120 0.321 8.569 8.715 1.00 0.00 C ATOM 1640 OH TYR A 120 0.832 9.409 9.675 1.00 0.00 O ATOM 0 H TYR A 120 -1.172 3.126 5.066 1.00 0.00 H new ATOM 0 HA TYR A 120 -2.005 4.740 7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.508 5.679 5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.057 6.485 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.020 5.680 7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.322 8.269 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.941 7.185 8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.410 9.773 8.374 1.00 0.00 H new ATOM 0 HH TYR A 120 0.230 10.172 9.796 1.00 0.00 H new ATOM 1649 N VAL A 121 -4.287 4.157 6.545 1.00 0.00 N ATOM 1650 CA VAL A 121 -5.662 3.988 6.078 1.00 0.00 C ATOM 1651 C VAL A 121 -6.482 5.217 6.425 1.00 0.00 C ATOM 1652 O VAL A 121 -6.609 5.566 7.590 1.00 0.00 O ATOM 1653 CB VAL A 121 -6.328 2.731 6.685 1.00 0.00 C ATOM 1654 CG1 VAL A 121 -7.785 2.606 6.252 1.00 0.00 C ATOM 1655 CG2 VAL A 121 -5.569 1.486 6.289 1.00 0.00 C ATOM 0 H VAL A 121 -4.159 4.016 7.547 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.627 3.858 4.996 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.302 2.839 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.221 1.712 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.340 3.484 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.837 2.533 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.052 0.611 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.563 1.394 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.544 1.554 6.653 1.00 0.00 H new ATOM 1665 N ASN A 122 -7.023 5.876 5.408 1.00 0.00 N ATOM 1666 CA ASN A 122 -7.795 7.108 5.599 1.00 0.00 C ATOM 1667 C ASN A 122 -6.918 8.161 6.272 1.00 0.00 C ATOM 1668 O ASN A 122 -7.383 8.915 7.126 1.00 0.00 O ATOM 1669 CB ASN A 122 -9.053 6.865 6.457 1.00 0.00 C ATOM 1670 CG ASN A 122 -9.812 5.592 6.106 1.00 0.00 C ATOM 1671 OD1 ASN A 122 -9.723 5.152 4.858 1.00 0.00 O flip ATOM 1672 ND2 ASN A 122 -10.479 5.004 6.960 1.00 0.00 N flip ATOM 0 H ASN A 122 -6.943 5.580 4.435 1.00 0.00 H new ATOM 0 HA ASN A 122 -8.118 7.457 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -8.761 6.823 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -9.724 7.717 6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -10.526 5.370 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -10.984 4.152 6.715 1.00 0.00 H new ATOM 1678 N ARG A 123 -5.638 8.185 5.890 1.00 0.00 N ATOM 1679 CA ARG A 123 -4.649 9.082 6.487 1.00 0.00 C ATOM 1680 C ARG A 123 -4.419 8.776 7.982 1.00 0.00 C ATOM 1681 O ARG A 123 -4.010 9.651 8.746 1.00 0.00 O ATOM 1682 CB ARG A 123 -5.062 10.547 6.306 1.00 0.00 C ATOM 1683 CG ARG A 123 -3.909 11.528 6.446 1.00 0.00 C ATOM 1684 CD ARG A 123 -3.336 11.912 5.095 1.00 0.00 C ATOM 1685 NE ARG A 123 -4.318 12.625 4.287 1.00 0.00 N ATOM 1686 CZ ARG A 123 -4.083 13.780 3.665 1.00 0.00 C ATOM 1687 NH1 ARG A 123 -2.881 14.342 3.717 1.00 0.00 N ATOM 1688 NH2 ARG A 123 -5.054 14.369 2.982 1.00 0.00 N ATOM 0 H ARG A 123 -5.260 7.583 5.159 1.00 0.00 H new ATOM 0 HA ARG A 123 -3.708 8.912 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -5.514 10.669 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -5.828 10.793 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.253 12.423 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.126 11.085 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.455 12.538 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.010 11.016 4.568 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.246 12.213 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.128 13.890 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.710 15.226 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -5.977 13.938 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.878 15.253 2.505 1.00 0.00 H new ATOM 1699 N GLU A 124 -4.678 7.539 8.405 1.00 0.00 N ATOM 1700 CA GLU A 124 -4.336 7.120 9.766 1.00 0.00 C ATOM 1701 C GLU A 124 -3.984 5.628 9.806 1.00 0.00 C ATOM 1702 O GLU A 124 -4.661 4.802 9.201 1.00 0.00 O ATOM 1703 CB GLU A 124 -5.486 7.427 10.740 1.00 0.00 C ATOM 1704 CG GLU A 124 -6.759 6.636 10.483 1.00 0.00 C ATOM 1705 CD GLU A 124 -7.877 6.994 11.441 1.00 0.00 C ATOM 1706 OE1 GLU A 124 -7.966 6.365 12.518 1.00 0.00 O ATOM 1707 OE2 GLU A 124 -8.680 7.899 11.125 1.00 0.00 O ATOM 0 H GLU A 124 -5.118 6.817 7.834 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.460 7.688 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -5.148 7.226 11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -5.717 8.491 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.092 6.815 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -6.542 5.571 10.566 1.00 0.00 H new ATOM 1712 N PRO A 125 -2.880 5.265 10.469 1.00 0.00 N ATOM 1713 CA PRO A 125 -2.509 3.863 10.651 1.00 0.00 C ATOM 1714 C PRO A 125 -3.578 3.096 11.427 1.00 0.00 C ATOM 1715 O PRO A 125 -3.928 3.473 12.547 1.00 0.00 O ATOM 1716 CB PRO A 125 -1.209 3.923 11.457 1.00 0.00 C ATOM 1717 CG PRO A 125 -0.689 5.304 11.254 1.00 0.00 C ATOM 1718 CD PRO A 125 -1.893 6.179 11.055 1.00 0.00 C ATOM 0 HA PRO A 125 -2.400 3.344 9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.390 3.721 12.513 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -0.494 3.178 11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.108 5.632 12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.028 5.348 10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -2.244 6.601 11.997 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.677 7.017 10.392 1.00 0.00 H new ATOM 1723 N VAL A 126 -4.099 2.032 10.828 1.00 0.00 N ATOM 1724 CA VAL A 126 -5.138 1.232 11.466 1.00 0.00 C ATOM 1725 C VAL A 126 -4.587 -0.099 11.959 1.00 0.00 C ATOM 1726 O VAL A 126 -3.404 -0.392 11.792 1.00 0.00 O ATOM 1727 CB VAL A 126 -6.315 0.954 10.504 1.00 0.00 C ATOM 1728 CG1 VAL A 126 -6.917 2.260 10.010 1.00 0.00 C ATOM 1729 CG2 VAL A 126 -5.873 0.073 9.336 1.00 0.00 C ATOM 0 H VAL A 126 -3.820 1.703 9.904 1.00 0.00 H new ATOM 0 HA VAL A 126 -5.498 1.814 12.314 1.00 0.00 H new ATOM 0 HB VAL A 126 -7.085 0.411 11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -7.745 2.046 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -7.282 2.837 10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.156 2.835 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -6.721 -0.107 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.080 0.575 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.502 -0.878 9.718 1.00 0.00 H new ATOM 1739 N ASP A 127 -5.453 -0.888 12.571 1.00 0.00 N ATOM 1740 CA ASP A 127 -5.101 -2.228 13.012 1.00 0.00 C ATOM 1741 C ASP A 127 -5.807 -3.247 12.128 1.00 0.00 C ATOM 1742 O ASP A 127 -5.226 -4.250 11.723 1.00 0.00 O ATOM 1743 CB ASP A 127 -5.500 -2.422 14.477 1.00 0.00 C ATOM 1744 CG ASP A 127 -5.061 -3.759 15.041 1.00 0.00 C ATOM 1745 OD1 ASP A 127 -3.890 -3.876 15.459 1.00 0.00 O ATOM 1746 OD2 ASP A 127 -5.894 -4.690 15.108 1.00 0.00 O ATOM 0 H ASP A 127 -6.416 -0.620 12.776 1.00 0.00 H new ATOM 0 HA ASP A 127 -4.023 -2.368 12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -5.064 -1.622 15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -6.583 -2.334 14.567 1.00 0.00 H new ATOM 1750 N SER A 128 -7.065 -2.950 11.817 1.00 0.00 N ATOM 1751 CA SER A 128 -7.885 -3.768 10.930 1.00 0.00 C ATOM 1752 C SER A 128 -9.103 -2.954 10.513 1.00 0.00 C ATOM 1753 O SER A 128 -10.124 -2.931 11.205 1.00 0.00 O ATOM 1754 CB SER A 128 -8.309 -5.060 11.632 1.00 0.00 C ATOM 1755 OG SER A 128 -9.051 -5.898 10.764 1.00 0.00 O ATOM 0 H SER A 128 -7.548 -2.127 12.177 1.00 0.00 H new ATOM 0 HA SER A 128 -7.311 -4.048 10.046 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.425 -5.591 11.986 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.909 -4.819 12.510 1.00 0.00 H new ATOM 0 HG SER A 128 -9.307 -6.716 11.239 1.00 0.00 H new ATOM 1760 N ALA A 129 -8.971 -2.254 9.396 1.00 0.00 N ATOM 1761 CA ALA A 129 -10.022 -1.373 8.914 1.00 0.00 C ATOM 1762 C ALA A 129 -10.866 -2.073 7.868 1.00 0.00 C ATOM 1763 O ALA A 129 -10.349 -2.565 6.869 1.00 0.00 O ATOM 1764 CB ALA A 129 -9.425 -0.096 8.348 1.00 0.00 C ATOM 0 H ALA A 129 -8.141 -2.280 8.804 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.665 -1.112 9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.225 0.553 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.861 0.418 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.760 -0.341 7.520 1.00 0.00 H new ATOM 1770 N VAL A 130 -12.159 -2.124 8.114 1.00 0.00 N ATOM 1771 CA VAL A 130 -13.083 -2.772 7.204 1.00 0.00 C ATOM 1772 C VAL A 130 -13.245 -1.965 5.920 1.00 0.00 C ATOM 1773 O VAL A 130 -13.205 -0.732 5.923 1.00 0.00 O ATOM 1774 CB VAL A 130 -14.457 -2.980 7.870 1.00 0.00 C ATOM 1775 CG1 VAL A 130 -15.037 -1.651 8.298 1.00 0.00 C ATOM 1776 CG2 VAL A 130 -15.417 -3.720 6.946 1.00 0.00 C ATOM 0 H VAL A 130 -12.597 -1.721 8.943 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.665 -3.747 6.951 1.00 0.00 H new ATOM 0 HB VAL A 130 -14.314 -3.599 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.008 -1.812 8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -14.365 -1.173 9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -15.158 -1.009 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -16.376 -3.850 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -15.560 -3.143 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -15.002 -4.697 6.697 1.00 0.00 H new ATOM 1786 N LEU A 131 -13.394 -2.694 4.834 1.00 0.00 N ATOM 1787 CA LEU A 131 -13.639 -2.142 3.516 1.00 0.00 C ATOM 1788 C LEU A 131 -14.828 -1.169 3.550 1.00 0.00 C ATOM 1789 O LEU A 131 -15.869 -1.461 4.144 1.00 0.00 O ATOM 1790 CB LEU A 131 -13.922 -3.311 2.562 1.00 0.00 C ATOM 1791 CG LEU A 131 -13.455 -3.149 1.112 1.00 0.00 C ATOM 1792 CD1 LEU A 131 -13.825 -4.381 0.321 1.00 0.00 C ATOM 1793 CD2 LEU A 131 -14.100 -1.940 0.478 1.00 0.00 C ATOM 0 H LEU A 131 -13.347 -3.713 4.843 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.769 -1.581 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -13.452 -4.205 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -14.997 -3.490 2.554 1.00 0.00 H new ATOM 0 HG LEU A 131 -12.373 -3.015 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -13.492 -4.265 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -13.344 -5.254 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -14.907 -4.515 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -13.756 -1.842 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -15.184 -2.058 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.827 -1.046 1.039 1.00 0.00 H new ATOM 1804 N ALA A 132 -14.658 -0.017 2.915 1.00 0.00 N ATOM 1805 CA ALA A 132 -15.688 1.011 2.868 1.00 0.00 C ATOM 1806 C ALA A 132 -15.936 1.413 1.425 1.00 0.00 C ATOM 1807 O ALA A 132 -15.361 0.830 0.516 1.00 0.00 O ATOM 1808 CB ALA A 132 -15.273 2.216 3.694 1.00 0.00 C ATOM 0 H ALA A 132 -13.802 0.231 2.418 1.00 0.00 H new ATOM 0 HA ALA A 132 -16.611 0.613 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -16.054 2.975 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.122 1.913 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -14.344 2.627 3.297 1.00 0.00 H new ATOM 1814 N ASN A 133 -16.791 2.394 1.207 1.00 0.00 N ATOM 1815 CA ASN A 133 -17.133 2.792 -0.149 1.00 0.00 C ATOM 1816 C ASN A 133 -16.445 4.100 -0.525 1.00 0.00 C ATOM 1817 O ASN A 133 -17.007 5.178 -0.327 1.00 0.00 O ATOM 1818 CB ASN A 133 -18.649 2.951 -0.284 1.00 0.00 C ATOM 1819 CG ASN A 133 -19.103 3.101 -1.724 1.00 0.00 C ATOM 1820 OD1 ASN A 133 -19.516 2.134 -2.357 1.00 0.00 O ATOM 1821 ND2 ASN A 133 -19.023 4.311 -2.251 1.00 0.00 N ATOM 0 H ASN A 133 -17.258 2.926 1.941 1.00 0.00 H new ATOM 0 HA ASN A 133 -16.788 2.012 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -19.141 2.084 0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -18.969 3.824 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -19.310 4.466 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -18.674 5.089 -1.691 1.00 0.00 H new ATOM 1827 N GLY A 134 -15.229 4.006 -1.058 1.00 0.00 N ATOM 1828 CA GLY A 134 -14.559 5.186 -1.576 1.00 0.00 C ATOM 1829 C GLY A 134 -13.375 5.629 -0.738 1.00 0.00 C ATOM 1830 O GLY A 134 -12.540 6.402 -1.207 1.00 0.00 O ATOM 0 H GLY A 134 -14.699 3.139 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -14.219 4.984 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.277 6.004 -1.637 1.00 0.00 H new ATOM 1834 N ASP A 135 -13.295 5.145 0.495 1.00 0.00 N ATOM 1835 CA ASP A 135 -12.191 5.508 1.382 1.00 0.00 C ATOM 1836 C ASP A 135 -10.880 4.905 0.889 1.00 0.00 C ATOM 1837 O ASP A 135 -10.868 3.883 0.197 1.00 0.00 O ATOM 1838 CB ASP A 135 -12.472 5.066 2.821 1.00 0.00 C ATOM 1839 CG ASP A 135 -13.557 5.886 3.487 1.00 0.00 C ATOM 1840 OD1 ASP A 135 -14.750 5.599 3.259 1.00 0.00 O ATOM 1841 OD2 ASP A 135 -13.219 6.811 4.256 1.00 0.00 O ATOM 0 H ASP A 135 -13.975 4.504 0.904 1.00 0.00 H new ATOM 0 HA ASP A 135 -12.099 6.594 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -12.764 4.016 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -11.555 5.143 3.405 1.00 0.00 H new ATOM 1845 N GLU A 136 -9.780 5.535 1.260 1.00 0.00 N ATOM 1846 CA GLU A 136 -8.476 5.199 0.713 1.00 0.00 C ATOM 1847 C GLU A 136 -7.565 4.521 1.740 1.00 0.00 C ATOM 1848 O GLU A 136 -7.725 4.686 2.950 1.00 0.00 O ATOM 1849 CB GLU A 136 -7.790 6.460 0.162 1.00 0.00 C ATOM 1850 CG GLU A 136 -7.503 7.540 1.207 1.00 0.00 C ATOM 1851 CD GLU A 136 -8.751 8.181 1.789 1.00 0.00 C ATOM 1852 OE1 GLU A 136 -9.279 7.664 2.799 1.00 0.00 O ATOM 1853 OE2 GLU A 136 -9.211 9.198 1.237 1.00 0.00 O ATOM 0 H GLU A 136 -9.764 6.290 1.945 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.645 4.486 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -6.850 6.170 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -8.419 6.887 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -6.920 7.102 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -6.886 8.316 0.753 1.00 0.00 H new ATOM 1858 N VAL A 137 -6.601 3.764 1.228 1.00 0.00 N ATOM 1859 CA VAL A 137 -5.587 3.103 2.043 1.00 0.00 C ATOM 1860 C VAL A 137 -4.234 3.304 1.384 1.00 0.00 C ATOM 1861 O VAL A 137 -4.097 3.131 0.185 1.00 0.00 O ATOM 1862 CB VAL A 137 -5.830 1.573 2.193 1.00 0.00 C ATOM 1863 CG1 VAL A 137 -4.792 0.934 3.117 1.00 0.00 C ATOM 1864 CG2 VAL A 137 -7.235 1.292 2.697 1.00 0.00 C ATOM 0 H VAL A 137 -6.500 3.590 0.228 1.00 0.00 H new ATOM 0 HA VAL A 137 -5.632 3.545 3.038 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.724 1.125 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -4.989 -0.135 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.795 1.088 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.852 1.393 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.379 0.216 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.374 1.765 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -7.962 1.694 1.991 1.00 0.00 H new ATOM 1874 N GLN A 138 -3.250 3.704 2.146 1.00 0.00 N ATOM 1875 CA GLN A 138 -1.903 3.774 1.640 1.00 0.00 C ATOM 1876 C GLN A 138 -1.160 2.523 2.061 1.00 0.00 C ATOM 1877 O GLN A 138 -1.012 2.243 3.256 1.00 0.00 O ATOM 1878 CB GLN A 138 -1.186 5.023 2.163 1.00 0.00 C ATOM 1879 CG GLN A 138 0.071 5.407 1.386 1.00 0.00 C ATOM 1880 CD GLN A 138 1.123 4.337 1.340 1.00 0.00 C ATOM 1881 OE1 GLN A 138 1.195 3.573 0.394 1.00 0.00 O ATOM 1882 NE2 GLN A 138 1.925 4.261 2.373 1.00 0.00 N ATOM 0 H GLN A 138 -3.355 3.987 3.120 1.00 0.00 H new ATOM 0 HA GLN A 138 -1.929 3.840 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.882 5.862 2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -0.917 4.861 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -0.212 5.665 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 138 0.501 6.303 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 138 1.828 4.922 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 138 2.646 3.540 2.407 1.00 0.00 H new ATOM 1889 N ILE A 139 -0.727 1.758 1.082 1.00 0.00 N ATOM 1890 CA ILE A 139 0.121 0.615 1.342 1.00 0.00 C ATOM 1891 C ILE A 139 1.338 0.681 0.450 1.00 0.00 C ATOM 1892 O ILE A 139 1.211 0.952 -0.742 1.00 0.00 O ATOM 1893 CB ILE A 139 -0.587 -0.748 1.119 1.00 0.00 C ATOM 1894 CG1 ILE A 139 -0.248 -1.352 -0.239 1.00 0.00 C ATOM 1895 CG2 ILE A 139 -2.090 -0.633 1.259 1.00 0.00 C ATOM 1896 CD1 ILE A 139 -0.733 -2.766 -0.408 1.00 0.00 C ATOM 0 H ILE A 139 -0.949 1.907 0.098 1.00 0.00 H new ATOM 0 HA ILE A 139 0.394 0.666 2.396 1.00 0.00 H new ATOM 0 HB ILE A 139 -0.213 -1.412 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -0.684 -0.731 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 139 0.833 -1.329 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -2.546 -1.609 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -2.336 -0.281 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -2.471 0.074 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -0.456 -3.130 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -0.277 -3.400 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -1.817 -2.794 -0.302 1.00 0.00 H new ATOM 1907 N GLY A 140 2.515 0.504 1.025 1.00 0.00 N ATOM 1908 CA GLY A 140 3.692 0.288 0.191 1.00 0.00 C ATOM 1909 C GLY A 140 4.282 1.577 -0.343 1.00 0.00 C ATOM 1910 O GLY A 140 5.488 1.798 -0.221 1.00 0.00 O ATOM 0 H GLY A 140 2.683 0.504 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.450 -0.240 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.424 -0.357 -0.646 1.00 0.00 H new ATOM 1914 N LYS A 141 3.445 2.346 -1.026 1.00 0.00 N ATOM 1915 CA LYS A 141 3.676 3.749 -1.323 1.00 0.00 C ATOM 1916 C LYS A 141 2.640 4.221 -2.342 1.00 0.00 C ATOM 1917 O LYS A 141 2.900 5.094 -3.147 1.00 0.00 O ATOM 1918 CB LYS A 141 5.105 4.021 -1.822 1.00 0.00 C ATOM 1919 CG LYS A 141 5.527 3.278 -3.063 1.00 0.00 C ATOM 1920 CD LYS A 141 6.969 3.609 -3.419 1.00 0.00 C ATOM 1921 CE LYS A 141 7.369 2.944 -4.711 1.00 0.00 C ATOM 1922 NZ LYS A 141 8.817 3.077 -5.007 1.00 0.00 N ATOM 0 H LYS A 141 2.561 1.999 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 141 3.568 4.314 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 141 5.204 5.090 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 141 5.801 3.773 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 141 5.423 2.205 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 141 4.872 3.543 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 141 7.087 4.689 -3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 141 7.630 3.282 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 141 7.109 1.887 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 141 6.795 3.378 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 9.033 2.601 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 9.065 4.084 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 9.369 2.639 -4.242 1.00 0.00 H new ATOM 1932 N PHE A 142 1.445 3.646 -2.272 1.00 0.00 N ATOM 1933 CA PHE A 142 0.437 3.830 -3.309 1.00 0.00 C ATOM 1934 C PHE A 142 -0.843 4.368 -2.688 1.00 0.00 C ATOM 1935 O PHE A 142 -1.132 4.088 -1.522 1.00 0.00 O ATOM 1936 CB PHE A 142 0.129 2.498 -4.036 1.00 0.00 C ATOM 1937 CG PHE A 142 1.340 1.657 -4.337 1.00 0.00 C ATOM 1938 CD1 PHE A 142 2.191 1.266 -3.324 1.00 0.00 C ATOM 1939 CD2 PHE A 142 1.615 1.240 -5.623 1.00 0.00 C ATOM 1940 CE1 PHE A 142 3.295 0.486 -3.581 1.00 0.00 C ATOM 1941 CE2 PHE A 142 2.722 0.461 -5.884 1.00 0.00 C ATOM 1942 CZ PHE A 142 3.562 0.087 -4.865 1.00 0.00 C ATOM 0 H PHE A 142 1.149 3.045 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 142 0.828 4.540 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.559 1.915 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -0.385 2.720 -4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 142 1.987 1.578 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.958 1.526 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 142 3.949 0.189 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.929 0.143 -6.895 1.00 0.00 H new ATOM 0 HZ PHE A 142 4.431 -0.520 -5.074 1.00 0.00 H new ATOM 1951 N ARG A 143 -1.609 5.124 -3.460 1.00 0.00 N ATOM 1952 CA ARG A 143 -2.877 5.644 -2.980 1.00 0.00 C ATOM 1953 C ARG A 143 -4.002 4.691 -3.369 1.00 0.00 C ATOM 1954 O ARG A 143 -4.556 4.779 -4.469 1.00 0.00 O ATOM 1955 CB ARG A 143 -3.161 7.037 -3.549 1.00 0.00 C ATOM 1956 CG ARG A 143 -4.173 7.813 -2.725 1.00 0.00 C ATOM 1957 CD ARG A 143 -4.901 8.869 -3.547 1.00 0.00 C ATOM 1958 NE ARG A 143 -3.999 9.812 -4.210 1.00 0.00 N ATOM 1959 CZ ARG A 143 -4.312 11.084 -4.458 1.00 0.00 C ATOM 1960 NH1 ARG A 143 -5.445 11.600 -3.991 1.00 0.00 N ATOM 1961 NH2 ARG A 143 -3.481 11.849 -5.154 1.00 0.00 N ATOM 0 H ARG A 143 -1.375 5.389 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 143 -2.820 5.727 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -2.230 7.601 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.529 6.939 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -4.900 7.121 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.665 8.293 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.515 8.374 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.579 9.422 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.080 9.477 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.080 11.022 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.679 12.574 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.602 11.464 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.721 12.822 -5.343 1.00 0.00 H new ATOM 1972 N LEU A 144 -4.315 3.768 -2.479 1.00 0.00 N ATOM 1973 CA LEU A 144 -5.366 2.798 -2.722 1.00 0.00 C ATOM 1974 C LEU A 144 -6.697 3.345 -2.263 1.00 0.00 C ATOM 1975 O LEU A 144 -6.746 4.254 -1.452 1.00 0.00 O ATOM 1976 CB LEU A 144 -5.121 1.488 -1.970 1.00 0.00 C ATOM 1977 CG LEU A 144 -3.862 0.705 -2.326 1.00 0.00 C ATOM 1978 CD1 LEU A 144 -2.609 1.352 -1.764 1.00 0.00 C ATOM 1979 CD2 LEU A 144 -3.989 -0.713 -1.820 1.00 0.00 C ATOM 0 H LEU A 144 -3.853 3.670 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 144 -5.370 2.603 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.090 1.711 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -5.981 0.838 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 144 -3.764 0.704 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -1.737 0.760 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -2.507 2.359 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -2.681 1.402 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -3.089 -1.272 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -4.116 -0.703 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -4.854 -1.188 -2.282 1.00 0.00 H new ATOM 1990 N VAL A 145 -7.761 2.794 -2.804 1.00 0.00 N ATOM 1991 CA VAL A 145 -9.102 3.021 -2.301 1.00 0.00 C ATOM 1992 C VAL A 145 -9.860 1.710 -2.381 1.00 0.00 C ATOM 1993 O VAL A 145 -9.673 0.947 -3.318 1.00 0.00 O ATOM 1994 CB VAL A 145 -9.863 4.125 -3.083 1.00 0.00 C ATOM 1995 CG1 VAL A 145 -9.059 4.612 -4.273 1.00 0.00 C ATOM 1996 CG2 VAL A 145 -11.236 3.639 -3.524 1.00 0.00 C ATOM 0 H VAL A 145 -7.722 2.171 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.028 3.374 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 145 -10.003 4.967 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -9.620 5.384 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -8.111 5.024 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -8.868 3.778 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -11.745 4.434 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -11.124 2.769 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -11.824 3.366 -2.648 1.00 0.00 H new ATOM 2006 N PHE A 146 -10.700 1.436 -1.417 1.00 0.00 N ATOM 2007 CA PHE A 146 -11.449 0.195 -1.443 1.00 0.00 C ATOM 2008 C PHE A 146 -12.920 0.431 -1.750 1.00 0.00 C ATOM 2009 O PHE A 146 -13.497 1.445 -1.349 1.00 0.00 O ATOM 2010 CB PHE A 146 -11.262 -0.624 -0.155 1.00 0.00 C ATOM 2011 CG PHE A 146 -11.307 0.132 1.149 1.00 0.00 C ATOM 2012 CD1 PHE A 146 -12.088 1.261 1.313 1.00 0.00 C ATOM 2013 CD2 PHE A 146 -10.565 -0.321 2.228 1.00 0.00 C ATOM 2014 CE1 PHE A 146 -12.116 1.928 2.522 1.00 0.00 C ATOM 2015 CE2 PHE A 146 -10.590 0.340 3.439 1.00 0.00 C ATOM 2016 CZ PHE A 146 -11.369 1.466 3.587 1.00 0.00 C ATOM 0 H PHE A 146 -10.885 2.039 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 146 -11.039 -0.402 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -12.034 -1.393 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -10.302 -1.137 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -12.682 1.625 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -9.957 -1.207 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -12.724 2.813 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -10.001 -0.024 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 146 -11.395 1.986 4.533 1.00 0.00 H new ATOM 2025 N LEU A 147 -13.506 -0.502 -2.499 1.00 0.00 N ATOM 2026 CA LEU A 147 -14.911 -0.428 -2.883 1.00 0.00 C ATOM 2027 C LEU A 147 -15.608 -1.757 -2.648 1.00 0.00 C ATOM 2028 O LEU A 147 -14.971 -2.794 -2.447 1.00 0.00 O ATOM 2029 CB LEU A 147 -15.069 -0.048 -4.360 1.00 0.00 C ATOM 2030 CG LEU A 147 -15.472 1.401 -4.645 1.00 0.00 C ATOM 2031 CD1 LEU A 147 -16.836 1.699 -4.057 1.00 0.00 C ATOM 2032 CD2 LEU A 147 -14.443 2.369 -4.098 1.00 0.00 C ATOM 0 H LEU A 147 -13.021 -1.326 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 147 -15.368 0.343 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -14.126 -0.248 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -15.816 -0.705 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 147 -15.521 1.529 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -17.106 2.733 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -17.576 1.033 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -16.809 1.546 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -14.754 3.391 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -14.356 2.237 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -13.478 2.177 -4.566 1.00 0.00 H new