USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot -52:sc= 0.927 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.118 F(o=-0.37,f=1.1) USER MOD Set 1.3: A 105 SER OG : rot -153:sc= 0.269 USER MOD Set 2.1: A 82 GLN : amide:sc= 0.0535 K(o=2.6,f=0.52) USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.99 K(o=2.6,f=-5.1!) USER MOD Set 2.3: A 119 THR OG1 : rot 92:sc= 1.52 USER MOD Set 3.1: A 80 SER OG : rot 180:sc=-0.00924 USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 64 MET CE :methyl -176:sc= -0.291 (180deg=-0.292) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.06 K(o=0.77,f=-0.49) USER MOD Set 5.1: A 61 SER OG : rot 180:sc= 0.452 USER MOD Set 5.2: A 65 GLN : amide:sc= 0.483 X(o=0.93,f=1.3) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.07 K(o=2.3,f=-6!) USER MOD Set 6.2: A 40 SER OG : rot -115:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.19 (180deg=1.02) USER MOD Single : A 29 SER OG : rot 77:sc= 0.495 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.85 (180deg=1.85) USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.28) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.97! C(o=-3!,f=-5.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= 0.126 (180deg=0.00544) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.19 (180deg=0.57) USER MOD Single : A 69 CYS SG : rot -81:sc= -0.0932 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.16 USER MOD Single : A 73 CYS SG : rot 128:sc= 1.14 USER MOD Single : A 81 HIS : no HE2:sc= 0.706 K(o=0.71,f=-2.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.28) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -60:sc= 1.3 USER MOD Single : A 95 MET CE :methyl -176:sc= 0 (180deg=-0.0242) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -157:sc= 0.0248 USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= 1.49 (180deg=0.0943) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -67:sc= 0.0588 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.269 K(o=-0.27,f=-0.88) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.647 13.454 17.899 1.00 0.00 N ATOM 2 CA MET A 1 8.547 12.439 16.821 1.00 0.00 C ATOM 3 C MET A 1 8.375 13.130 15.465 1.00 0.00 C ATOM 4 O MET A 1 7.605 14.088 15.342 1.00 0.00 O ATOM 5 CB MET A 1 7.396 11.436 17.054 1.00 0.00 C ATOM 6 CG MET A 1 7.655 10.462 18.214 1.00 0.00 C ATOM 7 SD MET A 1 9.158 9.443 18.083 1.00 0.00 S ATOM 8 CE MET A 1 8.708 8.339 16.712 1.00 0.00 C ATOM 0 H1 MET A 1 8.764 12.977 18.816 1.00 0.00 H new ATOM 0 H2 MET A 1 9.467 14.069 17.722 1.00 0.00 H new ATOM 0 H3 MET A 1 7.781 14.029 17.916 1.00 0.00 H new ATOM 0 HA MET A 1 9.476 11.868 16.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.478 11.989 17.253 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.232 10.865 16.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.709 11.036 19.139 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.796 9.797 18.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.531 7.653 16.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.818 7.770 16.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.504 8.931 15.820 1.00 0.00 H new ATOM 20 N ALA A 2 9.080 12.643 14.437 1.00 0.00 N ATOM 21 CA ALA A 2 8.973 13.099 13.055 1.00 0.00 C ATOM 22 C ALA A 2 9.313 11.926 12.132 1.00 0.00 C ATOM 23 O ALA A 2 9.950 10.957 12.563 1.00 0.00 O ATOM 24 CB ALA A 2 9.939 14.268 12.814 1.00 0.00 C ATOM 0 H ALA A 2 9.763 11.895 14.554 1.00 0.00 H new ATOM 0 HA ALA A 2 7.960 13.447 12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.854 14.603 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.689 15.091 13.484 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.961 13.941 13.006 1.00 0.00 H new ATOM 30 N VAL A 3 8.925 12.021 10.863 1.00 0.00 N ATOM 31 CA VAL A 3 9.149 10.993 9.853 1.00 0.00 C ATOM 32 C VAL A 3 9.152 11.675 8.475 1.00 0.00 C ATOM 33 O VAL A 3 8.487 12.701 8.292 1.00 0.00 O ATOM 34 CB VAL A 3 8.078 9.882 10.029 1.00 0.00 C ATOM 35 CG1 VAL A 3 6.627 10.373 9.891 1.00 0.00 C ATOM 36 CG2 VAL A 3 8.293 8.694 9.088 1.00 0.00 C ATOM 0 H VAL A 3 8.433 12.837 10.500 1.00 0.00 H new ATOM 0 HA VAL A 3 10.114 10.496 9.957 1.00 0.00 H new ATOM 0 HB VAL A 3 8.221 9.556 11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.944 9.534 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.426 11.131 10.648 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.481 10.802 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.514 7.950 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.249 9.036 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.269 8.248 9.282 1.00 0.00 H new ATOM 46 N ALA A 4 9.928 11.140 7.523 1.00 0.00 N ATOM 47 CA ALA A 4 9.899 11.588 6.132 1.00 0.00 C ATOM 48 C ALA A 4 8.573 11.178 5.473 1.00 0.00 C ATOM 49 O ALA A 4 7.752 10.477 6.068 1.00 0.00 O ATOM 50 CB ALA A 4 11.117 11.033 5.374 1.00 0.00 C ATOM 0 H ALA A 4 10.591 10.386 7.699 1.00 0.00 H new ATOM 0 HA ALA A 4 9.959 12.676 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.087 11.372 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.033 11.389 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.096 9.944 5.400 1.00 0.00 H new ATOM 56 N ASP A 5 8.364 11.584 4.222 1.00 0.00 N ATOM 57 CA ASP A 5 7.147 11.306 3.465 1.00 0.00 C ATOM 58 C ASP A 5 7.516 11.176 1.991 1.00 0.00 C ATOM 59 O ASP A 5 8.505 11.765 1.552 1.00 0.00 O ATOM 60 CB ASP A 5 6.139 12.446 3.666 1.00 0.00 C ATOM 61 CG ASP A 5 4.871 12.212 2.832 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.986 11.450 3.281 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.780 12.765 1.715 1.00 0.00 O ATOM 0 H ASP A 5 9.050 12.126 3.697 1.00 0.00 H new ATOM 0 HA ASP A 5 6.689 10.379 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.876 12.522 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.595 13.394 3.382 1.00 0.00 H new ATOM 68 N LEU A 6 6.724 10.428 1.222 1.00 0.00 N ATOM 69 CA LEU A 6 6.949 10.181 -0.198 1.00 0.00 C ATOM 70 C LEU A 6 7.116 11.465 -1.023 1.00 0.00 C ATOM 71 O LEU A 6 7.826 11.444 -2.031 1.00 0.00 O ATOM 72 CB LEU A 6 5.771 9.377 -0.768 1.00 0.00 C ATOM 73 CG LEU A 6 5.641 7.899 -0.357 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.407 7.321 -1.062 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.883 7.065 -0.703 1.00 0.00 C ATOM 0 H LEU A 6 5.888 9.967 1.581 1.00 0.00 H new ATOM 0 HA LEU A 6 7.884 9.626 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.850 9.886 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.834 9.417 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 6 5.540 7.853 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.290 6.272 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.520 7.877 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.533 7.403 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.728 6.033 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.052 7.094 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.752 7.475 -0.188 1.00 0.00 H new ATOM 87 N ALA A 7 6.475 12.571 -0.633 1.00 0.00 N ATOM 88 CA ALA A 7 6.598 13.850 -1.314 1.00 0.00 C ATOM 89 C ALA A 7 7.932 14.546 -1.009 1.00 0.00 C ATOM 90 O ALA A 7 8.381 15.377 -1.799 1.00 0.00 O ATOM 91 CB ALA A 7 5.432 14.762 -0.915 1.00 0.00 C ATOM 0 H ALA A 7 5.851 12.597 0.174 1.00 0.00 H new ATOM 0 HA ALA A 7 6.570 13.655 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.527 15.720 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.490 14.292 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.449 14.924 0.163 1.00 0.00 H new ATOM 97 N LEU A 8 8.554 14.237 0.135 1.00 0.00 N ATOM 98 CA LEU A 8 9.820 14.831 0.563 1.00 0.00 C ATOM 99 C LEU A 8 11.009 14.085 -0.048 1.00 0.00 C ATOM 100 O LEU A 8 12.095 14.657 -0.143 1.00 0.00 O ATOM 101 CB LEU A 8 9.936 14.823 2.100 1.00 0.00 C ATOM 102 CG LEU A 8 8.857 15.641 2.838 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.028 15.476 4.352 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.907 17.132 2.484 1.00 0.00 C ATOM 0 H LEU A 8 8.183 13.556 0.798 1.00 0.00 H new ATOM 0 HA LEU A 8 9.836 15.863 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.890 13.791 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.917 15.209 2.378 1.00 0.00 H new ATOM 0 HG LEU A 8 7.888 15.257 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.264 16.056 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.927 14.424 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.015 15.831 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.127 17.662 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.881 17.538 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.749 17.257 1.413 1.00 0.00 H new ATOM 116 N ILE A 9 10.820 12.829 -0.470 1.00 0.00 N ATOM 117 CA ILE A 9 11.820 12.070 -1.218 1.00 0.00 C ATOM 118 C ILE A 9 12.165 12.873 -2.490 1.00 0.00 C ATOM 119 O ILE A 9 11.231 13.272 -3.193 1.00 0.00 O ATOM 120 CB ILE A 9 11.275 10.657 -1.539 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.045 9.881 -0.221 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.226 9.884 -2.470 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.484 8.469 -0.397 1.00 0.00 C ATOM 0 H ILE A 9 9.959 12.309 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 9 12.730 11.928 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 9 10.326 10.762 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.991 9.816 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.361 10.453 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.812 8.897 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.342 10.430 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.199 9.777 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.356 8.004 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.520 8.521 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.175 7.875 -0.994 1.00 0.00 H new ATOM 135 N PRO A 10 13.454 13.116 -2.811 1.00 0.00 N ATOM 136 CA PRO A 10 13.869 13.736 -4.067 1.00 0.00 C ATOM 137 C PRO A 10 13.286 12.969 -5.259 1.00 0.00 C ATOM 138 O PRO A 10 13.638 11.810 -5.495 1.00 0.00 O ATOM 139 CB PRO A 10 15.405 13.755 -4.062 1.00 0.00 C ATOM 140 CG PRO A 10 15.756 13.673 -2.579 1.00 0.00 C ATOM 141 CD PRO A 10 14.620 12.842 -1.984 1.00 0.00 C ATOM 0 HA PRO A 10 13.494 14.755 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.819 12.915 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.797 14.664 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.724 13.198 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.809 14.662 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.866 11.780 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.436 13.117 -0.945 1.00 0.00 H new ATOM 149 N ASP A 11 12.370 13.605 -5.988 1.00 0.00 N ATOM 150 CA ASP A 11 11.569 12.930 -7.011 1.00 0.00 C ATOM 151 C ASP A 11 12.388 12.588 -8.258 1.00 0.00 C ATOM 152 O ASP A 11 12.144 11.579 -8.922 1.00 0.00 O ATOM 153 CB ASP A 11 10.374 13.817 -7.377 1.00 0.00 C ATOM 154 CG ASP A 11 9.244 12.985 -7.978 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.701 12.124 -7.251 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.843 13.215 -9.139 1.00 0.00 O ATOM 0 H ASP A 11 12.162 14.599 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 11 11.218 11.983 -6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.016 14.337 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.687 14.581 -8.089 1.00 0.00 H new ATOM 161 N VAL A 12 13.402 13.408 -8.544 1.00 0.00 N ATOM 162 CA VAL A 12 14.338 13.257 -9.647 1.00 0.00 C ATOM 163 C VAL A 12 15.690 13.744 -9.134 1.00 0.00 C ATOM 164 O VAL A 12 15.758 14.763 -8.441 1.00 0.00 O ATOM 165 CB VAL A 12 13.895 14.114 -10.857 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.860 14.001 -12.048 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.490 13.757 -11.356 1.00 0.00 C ATOM 0 H VAL A 12 13.597 14.235 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 12 14.384 12.220 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 12 13.898 15.136 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.500 14.622 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.852 14.337 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.913 12.963 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.234 14.390 -12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.468 12.711 -11.663 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.768 13.915 -10.555 1.00 0.00 H new ATOM 177 N ASP A 13 16.761 13.037 -9.487 1.00 0.00 N ATOM 178 CA ASP A 13 18.133 13.487 -9.277 1.00 0.00 C ATOM 179 C ASP A 13 18.974 12.765 -10.325 1.00 0.00 C ATOM 180 O ASP A 13 19.088 11.539 -10.290 1.00 0.00 O ATOM 181 CB ASP A 13 18.624 13.211 -7.846 1.00 0.00 C ATOM 182 CG ASP A 13 20.003 13.834 -7.552 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.616 14.476 -8.435 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.453 13.750 -6.386 1.00 0.00 O ATOM 0 H ASP A 13 16.698 12.122 -9.933 1.00 0.00 H new ATOM 0 HA ASP A 13 18.211 14.568 -9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.896 13.603 -7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.677 12.134 -7.687 1.00 0.00 H new ATOM 189 N ILE A 14 19.463 13.500 -11.323 1.00 0.00 N ATOM 190 CA ILE A 14 20.165 12.954 -12.480 1.00 0.00 C ATOM 191 C ILE A 14 21.377 13.840 -12.786 1.00 0.00 C ATOM 192 O ILE A 14 21.402 15.016 -12.407 1.00 0.00 O ATOM 193 CB ILE A 14 19.221 12.812 -13.706 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.586 14.153 -14.153 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.129 11.759 -13.440 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.881 14.072 -15.514 1.00 0.00 C ATOM 0 H ILE A 14 19.379 14.516 -11.348 1.00 0.00 H new ATOM 0 HA ILE A 14 20.513 11.947 -12.251 1.00 0.00 H new ATOM 0 HB ILE A 14 19.848 12.477 -14.532 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.868 14.475 -13.399 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.363 14.916 -14.200 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.481 11.678 -14.313 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.595 10.793 -13.243 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.537 12.059 -12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.460 15.046 -15.764 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.600 13.780 -16.279 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.082 13.332 -15.466 1.00 0.00 H new ATOM 208 N ASP A 15 22.380 13.284 -13.468 1.00 0.00 N ATOM 209 CA ASP A 15 23.522 14.059 -13.956 1.00 0.00 C ATOM 210 C ASP A 15 23.046 15.149 -14.931 1.00 0.00 C ATOM 211 O ASP A 15 22.109 14.939 -15.707 1.00 0.00 O ATOM 212 CB ASP A 15 24.565 13.146 -14.608 1.00 0.00 C ATOM 213 CG ASP A 15 25.747 13.975 -15.135 1.00 0.00 C ATOM 214 OD1 ASP A 15 25.676 14.480 -16.275 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.739 14.140 -14.390 1.00 0.00 O ATOM 0 H ASP A 15 22.424 12.291 -13.696 1.00 0.00 H new ATOM 0 HA ASP A 15 24.000 14.546 -13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.921 12.414 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.109 12.589 -15.427 1.00 0.00 H new ATOM 220 N SER A 16 23.666 16.328 -14.864 1.00 0.00 N ATOM 221 CA SER A 16 23.210 17.524 -15.554 1.00 0.00 C ATOM 222 C SER A 16 23.362 17.472 -17.083 1.00 0.00 C ATOM 223 O SER A 16 22.572 18.119 -17.773 1.00 0.00 O ATOM 224 CB SER A 16 23.987 18.729 -15.001 1.00 0.00 C ATOM 225 OG SER A 16 24.033 18.703 -13.578 1.00 0.00 O ATOM 0 H SER A 16 24.514 16.476 -14.317 1.00 0.00 H new ATOM 0 HA SER A 16 22.139 17.608 -15.367 1.00 0.00 H new ATOM 0 HB2 SER A 16 25.001 18.725 -15.400 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.516 19.653 -15.335 1.00 0.00 H new ATOM 0 HG SER A 16 24.534 19.480 -13.253 1.00 0.00 H new ATOM 231 N ASP A 17 24.361 16.765 -17.628 1.00 0.00 N ATOM 232 CA ASP A 17 24.713 16.831 -19.052 1.00 0.00 C ATOM 233 C ASP A 17 25.724 15.735 -19.405 1.00 0.00 C ATOM 234 O ASP A 17 26.862 15.763 -18.926 1.00 0.00 O ATOM 235 CB ASP A 17 25.340 18.199 -19.387 1.00 0.00 C ATOM 236 CG ASP A 17 25.994 18.209 -20.779 1.00 0.00 C ATOM 237 OD1 ASP A 17 25.359 17.750 -21.752 1.00 0.00 O ATOM 238 OD2 ASP A 17 27.138 18.704 -20.910 1.00 0.00 O ATOM 0 H ASP A 17 24.950 16.129 -17.091 1.00 0.00 H new ATOM 0 HA ASP A 17 23.799 16.690 -19.629 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.571 18.971 -19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 17 26.087 18.449 -18.634 1.00 0.00 H new ATOM 243 N GLY A 18 25.334 14.792 -20.268 1.00 0.00 N ATOM 244 CA GLY A 18 26.207 13.725 -20.735 1.00 0.00 C ATOM 245 C GLY A 18 25.414 12.642 -21.458 1.00 0.00 C ATOM 246 O GLY A 18 24.315 12.892 -21.966 1.00 0.00 O ATOM 0 H GLY A 18 24.394 14.753 -20.662 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.962 14.136 -21.406 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.737 13.288 -19.889 1.00 0.00 H new ATOM 250 N VAL A 19 25.979 11.435 -21.474 1.00 0.00 N ATOM 251 CA VAL A 19 25.333 10.205 -21.911 1.00 0.00 C ATOM 252 C VAL A 19 25.599 9.202 -20.787 1.00 0.00 C ATOM 253 O VAL A 19 26.757 8.985 -20.420 1.00 0.00 O ATOM 254 CB VAL A 19 25.888 9.742 -23.276 1.00 0.00 C ATOM 255 CG1 VAL A 19 25.280 8.394 -23.694 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.616 10.778 -24.378 1.00 0.00 C ATOM 0 H VAL A 19 26.941 11.285 -21.169 1.00 0.00 H new ATOM 0 HA VAL A 19 24.263 10.327 -22.077 1.00 0.00 H new ATOM 0 HB VAL A 19 26.965 9.630 -23.154 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.689 8.094 -24.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.521 7.639 -22.946 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.197 8.492 -23.774 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.021 10.418 -25.324 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.541 10.930 -24.477 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.093 11.722 -24.115 1.00 0.00 H new ATOM 266 N PHE A 20 24.542 8.649 -20.188 1.00 0.00 N ATOM 267 CA PHE A 20 24.624 7.829 -18.982 1.00 0.00 C ATOM 268 C PHE A 20 23.372 6.966 -18.850 1.00 0.00 C ATOM 269 O PHE A 20 22.353 7.233 -19.490 1.00 0.00 O ATOM 270 CB PHE A 20 24.803 8.735 -17.750 1.00 0.00 C ATOM 271 CG PHE A 20 23.841 9.909 -17.631 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.611 9.760 -16.961 1.00 0.00 C ATOM 273 CD2 PHE A 20 24.185 11.164 -18.172 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.734 10.850 -16.836 1.00 0.00 C ATOM 275 CE2 PHE A 20 23.299 12.250 -18.064 1.00 0.00 C ATOM 276 CZ PHE A 20 22.075 12.094 -17.392 1.00 0.00 C ATOM 0 H PHE A 20 23.590 8.762 -20.535 1.00 0.00 H new ATOM 0 HA PHE A 20 25.486 7.166 -19.051 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.704 8.120 -16.856 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.821 9.126 -17.758 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.341 8.802 -16.541 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.134 11.292 -18.672 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.797 10.732 -16.312 1.00 0.00 H new ATOM 0 HE2 PHE A 20 23.559 13.204 -18.498 1.00 0.00 H new ATOM 0 HZ PHE A 20 21.397 12.930 -17.303 1.00 0.00 H new ATOM 286 N LYS A 21 23.432 5.913 -18.030 1.00 0.00 N ATOM 287 CA LYS A 21 22.274 5.053 -17.800 1.00 0.00 C ATOM 288 C LYS A 21 21.359 5.703 -16.770 1.00 0.00 C ATOM 289 O LYS A 21 21.811 6.512 -15.956 1.00 0.00 O ATOM 290 CB LYS A 21 22.695 3.671 -17.260 1.00 0.00 C ATOM 291 CG LYS A 21 23.761 2.906 -18.057 1.00 0.00 C ATOM 292 CD LYS A 21 23.489 2.841 -19.567 1.00 0.00 C ATOM 293 CE LYS A 21 24.324 1.762 -20.277 1.00 0.00 C ATOM 294 NZ LYS A 21 25.787 1.877 -20.038 1.00 0.00 N ATOM 0 H LYS A 21 24.269 5.638 -17.517 1.00 0.00 H new ATOM 0 HA LYS A 21 21.763 4.922 -18.754 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.063 3.803 -16.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.804 3.046 -17.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 24.730 3.378 -17.893 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.831 1.890 -17.667 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.430 2.642 -19.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.704 3.812 -20.013 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.988 0.780 -19.945 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.136 1.818 -21.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.299 1.295 -20.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.078 2.870 -20.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.009 1.546 -19.077 1.00 0.00 H new ATOM 308 N TYR A 22 20.095 5.289 -16.738 1.00 0.00 N ATOM 309 CA TYR A 22 19.159 5.690 -15.700 1.00 0.00 C ATOM 310 C TYR A 22 18.252 4.495 -15.353 1.00 0.00 C ATOM 311 O TYR A 22 18.254 3.473 -16.056 1.00 0.00 O ATOM 312 CB TYR A 22 18.413 6.968 -16.136 1.00 0.00 C ATOM 313 CG TYR A 22 16.989 6.723 -16.549 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.725 6.105 -17.780 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.955 6.951 -15.623 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.438 5.635 -18.055 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.667 6.470 -15.888 1.00 0.00 C ATOM 318 CZ TYR A 22 14.418 5.780 -17.088 1.00 0.00 C ATOM 319 OH TYR A 22 13.199 5.228 -17.282 1.00 0.00 O ATOM 0 H TYR A 22 19.693 4.663 -17.436 1.00 0.00 H new ATOM 0 HA TYR A 22 19.673 5.958 -14.777 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.426 7.684 -15.314 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.950 7.426 -16.967 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.512 5.993 -18.511 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.154 7.495 -14.711 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.224 5.163 -19.003 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.870 6.628 -15.176 1.00 0.00 H new ATOM 0 HH TYR A 22 12.850 5.504 -18.155 1.00 0.00 H new ATOM 329 N VAL A 23 17.483 4.616 -14.270 1.00 0.00 N ATOM 330 CA VAL A 23 16.526 3.621 -13.810 1.00 0.00 C ATOM 331 C VAL A 23 15.292 4.346 -13.247 1.00 0.00 C ATOM 332 O VAL A 23 15.380 5.500 -12.807 1.00 0.00 O ATOM 333 CB VAL A 23 17.239 2.683 -12.807 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.538 3.359 -11.461 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.478 1.372 -12.582 1.00 0.00 C ATOM 0 H VAL A 23 17.514 5.441 -13.671 1.00 0.00 H new ATOM 0 HA VAL A 23 16.161 2.986 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 23 18.193 2.444 -13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.038 2.650 -10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.184 4.222 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.605 3.685 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.023 0.752 -11.870 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.486 1.590 -12.188 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.383 0.839 -13.528 1.00 0.00 H new ATOM 345 N LEU A 24 14.144 3.664 -13.251 1.00 0.00 N ATOM 346 CA LEU A 24 12.844 4.183 -12.845 1.00 0.00 C ATOM 347 C LEU A 24 12.382 3.247 -11.732 1.00 0.00 C ATOM 348 O LEU A 24 12.142 2.066 -12.007 1.00 0.00 O ATOM 349 CB LEU A 24 11.920 4.163 -14.088 1.00 0.00 C ATOM 350 CG LEU A 24 10.609 4.979 -14.073 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.606 4.473 -13.043 1.00 0.00 C ATOM 352 CD2 LEU A 24 10.869 6.470 -13.878 1.00 0.00 C ATOM 0 H LEU A 24 14.098 2.690 -13.552 1.00 0.00 H new ATOM 0 HA LEU A 24 12.852 5.209 -12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.509 4.506 -14.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.656 3.123 -14.282 1.00 0.00 H new ATOM 0 HG LEU A 24 10.162 4.834 -15.056 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.706 5.086 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.349 3.437 -13.264 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.045 4.533 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.921 7.007 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.381 6.629 -12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.492 6.840 -14.692 1.00 0.00 H new ATOM 364 N ILE A 25 12.311 3.718 -10.481 1.00 0.00 N ATOM 365 CA ILE A 25 12.060 2.842 -9.332 1.00 0.00 C ATOM 366 C ILE A 25 10.803 3.301 -8.596 1.00 0.00 C ATOM 367 O ILE A 25 10.626 4.496 -8.359 1.00 0.00 O ATOM 368 CB ILE A 25 13.318 2.608 -8.434 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.244 3.212 -7.013 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.667 2.994 -9.084 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.310 2.666 -6.056 1.00 0.00 C ATOM 0 H ILE A 25 12.424 4.702 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 25 11.855 1.836 -9.699 1.00 0.00 H new ATOM 0 HB ILE A 25 13.291 1.523 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.350 4.295 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.257 3.014 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.478 2.795 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.816 2.405 -9.989 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.658 4.054 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.196 3.135 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.191 1.587 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.301 2.887 -6.451 1.00 0.00 H new ATOM 383 N ARG A 26 9.937 2.348 -8.245 1.00 0.00 N ATOM 384 CA ARG A 26 8.792 2.537 -7.362 1.00 0.00 C ATOM 385 C ARG A 26 9.287 2.538 -5.926 1.00 0.00 C ATOM 386 O ARG A 26 10.213 1.793 -5.609 1.00 0.00 O ATOM 387 CB ARG A 26 7.803 1.383 -7.589 1.00 0.00 C ATOM 388 CG ARG A 26 6.578 1.417 -6.653 1.00 0.00 C ATOM 389 CD ARG A 26 5.363 0.709 -7.264 1.00 0.00 C ATOM 390 NE ARG A 26 4.809 1.515 -8.362 1.00 0.00 N ATOM 391 CZ ARG A 26 3.918 1.145 -9.284 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.383 -0.074 -9.265 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.573 2.015 -10.228 1.00 0.00 N ATOM 0 H ARG A 26 10.020 1.389 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 26 8.290 3.482 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.459 1.410 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.326 0.437 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.834 0.943 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.320 2.453 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.653 -0.274 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.602 0.550 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 26 5.147 2.475 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.653 -0.738 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.703 -0.344 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.988 2.947 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.894 1.751 -10.941 1.00 0.00 H new ATOM 407 N VAL A 27 8.626 3.298 -5.063 1.00 0.00 N ATOM 408 CA VAL A 27 8.946 3.473 -3.659 1.00 0.00 C ATOM 409 C VAL A 27 7.609 3.416 -2.913 1.00 0.00 C ATOM 410 O VAL A 27 6.666 4.112 -3.299 1.00 0.00 O ATOM 411 CB VAL A 27 9.644 4.839 -3.469 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.138 5.006 -2.030 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.831 5.067 -4.424 1.00 0.00 C ATOM 0 H VAL A 27 7.807 3.838 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 27 9.623 2.707 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 27 8.882 5.583 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.625 5.975 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.292 4.948 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.849 4.214 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.270 6.046 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.582 4.294 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.482 5.023 -5.456 1.00 0.00 H new ATOM 423 N HIS A 28 7.515 2.584 -1.875 1.00 0.00 N ATOM 424 CA HIS A 28 6.325 2.420 -1.042 1.00 0.00 C ATOM 425 C HIS A 28 6.454 3.270 0.228 1.00 0.00 C ATOM 426 O HIS A 28 7.565 3.497 0.722 1.00 0.00 O ATOM 427 CB HIS A 28 6.172 0.936 -0.677 1.00 0.00 C ATOM 428 CG HIS A 28 6.062 0.019 -1.875 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.109 0.073 -2.866 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.892 -1.027 -2.183 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.354 -0.914 -3.742 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.438 -1.619 -3.370 1.00 0.00 N ATOM 0 H HIS A 28 8.289 1.988 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 28 5.443 2.751 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.027 0.630 -0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.285 0.814 -0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.751 -1.342 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.763 -1.115 -4.623 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.846 -2.420 -3.853 1.00 0.00 H new ATOM 440 N SER A 29 5.322 3.716 0.777 1.00 0.00 N ATOM 441 CA SER A 29 5.261 4.470 2.025 1.00 0.00 C ATOM 442 C SER A 29 5.699 3.585 3.201 1.00 0.00 C ATOM 443 O SER A 29 4.911 2.771 3.689 1.00 0.00 O ATOM 444 CB SER A 29 3.836 4.973 2.297 1.00 0.00 C ATOM 445 OG SER A 29 3.290 5.724 1.241 1.00 0.00 O ATOM 0 H SER A 29 4.406 3.559 0.356 1.00 0.00 H new ATOM 0 HA SER A 29 5.931 5.324 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.190 4.118 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.842 5.583 3.200 1.00 0.00 H new ATOM 0 HG SER A 29 2.999 5.120 0.526 1.00 0.00 H new ATOM 451 N ALA A 30 6.944 3.731 3.657 1.00 0.00 N ATOM 452 CA ALA A 30 7.432 3.133 4.895 1.00 0.00 C ATOM 453 C ALA A 30 8.595 3.894 5.581 1.00 0.00 C ATOM 454 O ALA A 30 9.270 3.248 6.385 1.00 0.00 O ATOM 455 CB ALA A 30 7.775 1.649 4.650 1.00 0.00 C ATOM 0 H ALA A 30 7.651 4.278 3.166 1.00 0.00 H new ATOM 0 HA ALA A 30 6.618 3.211 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.140 1.202 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.882 1.119 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.546 1.576 3.883 1.00 0.00 H new ATOM 461 N PRO A 31 8.905 5.199 5.343 1.00 0.00 N ATOM 462 CA PRO A 31 9.933 5.877 6.134 1.00 0.00 C ATOM 463 C PRO A 31 9.807 5.645 7.647 1.00 0.00 C ATOM 464 O PRO A 31 8.702 5.614 8.195 1.00 0.00 O ATOM 465 CB PRO A 31 9.854 7.361 5.789 1.00 0.00 C ATOM 466 CG PRO A 31 9.332 7.353 4.360 1.00 0.00 C ATOM 467 CD PRO A 31 8.375 6.158 4.370 1.00 0.00 C ATOM 0 HA PRO A 31 10.907 5.459 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.183 7.896 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.828 7.844 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.820 8.282 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.135 7.225 3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.368 6.472 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.309 5.707 3.380 1.00 0.00 H new ATOM 475 N ARG A 32 10.958 5.469 8.308 1.00 0.00 N ATOM 476 CA ARG A 32 11.127 5.097 9.721 1.00 0.00 C ATOM 477 C ARG A 32 10.178 3.984 10.200 1.00 0.00 C ATOM 478 O ARG A 32 9.880 3.911 11.393 1.00 0.00 O ATOM 479 CB ARG A 32 11.094 6.354 10.619 1.00 0.00 C ATOM 480 CG ARG A 32 12.156 7.394 10.220 1.00 0.00 C ATOM 481 CD ARG A 32 12.200 8.571 11.200 1.00 0.00 C ATOM 482 NE ARG A 32 13.279 9.511 10.843 1.00 0.00 N ATOM 483 CZ ARG A 32 13.564 10.663 11.464 1.00 0.00 C ATOM 484 NH1 ARG A 32 12.754 11.155 12.397 1.00 0.00 N ATOM 485 NH2 ARG A 32 14.671 11.325 11.143 1.00 0.00 N ATOM 0 H ARG A 32 11.856 5.590 7.840 1.00 0.00 H new ATOM 0 HA ARG A 32 12.115 4.646 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.105 6.810 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.251 6.059 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.135 6.917 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.943 7.764 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.242 9.091 11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.355 8.201 12.213 1.00 0.00 H new ATOM 0 HE ARG A 32 13.865 9.260 10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.902 10.654 12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.985 12.034 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.297 10.955 10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.894 12.203 11.612 1.00 0.00 H new ATOM 499 N SER A 33 9.703 3.119 9.296 1.00 0.00 N ATOM 500 CA SER A 33 8.701 2.089 9.567 1.00 0.00 C ATOM 501 C SER A 33 7.460 2.657 10.286 1.00 0.00 C ATOM 502 O SER A 33 6.854 1.977 11.119 1.00 0.00 O ATOM 503 CB SER A 33 9.360 0.909 10.302 1.00 0.00 C ATOM 504 OG SER A 33 10.542 0.483 9.635 1.00 0.00 O ATOM 0 H SER A 33 10.017 3.119 8.326 1.00 0.00 H new ATOM 0 HA SER A 33 8.316 1.708 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.601 1.203 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.657 0.079 10.367 1.00 0.00 H new ATOM 0 HG SER A 33 10.941 -0.267 10.124 1.00 0.00 H new ATOM 510 N GLY A 34 7.086 3.910 9.988 1.00 0.00 N ATOM 511 CA GLY A 34 6.037 4.642 10.693 1.00 0.00 C ATOM 512 C GLY A 34 5.308 5.627 9.780 1.00 0.00 C ATOM 513 O GLY A 34 4.832 6.663 10.249 1.00 0.00 O ATOM 0 H GLY A 34 7.515 4.448 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.319 3.935 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.475 5.183 11.532 1.00 0.00 H new ATOM 517 N ALA A 35 5.245 5.331 8.477 1.00 0.00 N ATOM 518 CA ALA A 35 4.496 6.128 7.512 1.00 0.00 C ATOM 519 C ALA A 35 2.987 6.088 7.832 1.00 0.00 C ATOM 520 O ALA A 35 2.506 5.079 8.358 1.00 0.00 O ATOM 521 CB ALA A 35 4.767 5.592 6.103 1.00 0.00 C ATOM 0 H ALA A 35 5.717 4.526 8.065 1.00 0.00 H new ATOM 0 HA ALA A 35 4.820 7.167 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.210 6.183 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.833 5.660 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.451 4.551 6.043 1.00 0.00 H new ATOM 527 N PRO A 36 2.217 7.136 7.483 1.00 0.00 N ATOM 528 CA PRO A 36 0.788 7.218 7.788 1.00 0.00 C ATOM 529 C PRO A 36 -0.099 6.376 6.853 1.00 0.00 C ATOM 530 O PRO A 36 -1.306 6.276 7.095 1.00 0.00 O ATOM 531 CB PRO A 36 0.451 8.710 7.672 1.00 0.00 C ATOM 532 CG PRO A 36 1.420 9.202 6.599 1.00 0.00 C ATOM 533 CD PRO A 36 2.677 8.383 6.884 1.00 0.00 C ATOM 0 HA PRO A 36 0.588 6.808 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.587 8.867 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.598 9.231 8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.038 9.022 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.607 10.273 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.235 8.193 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.346 8.917 7.559 1.00 0.00 H new ATOM 541 N ALA A 37 0.457 5.802 5.781 1.00 0.00 N ATOM 542 CA ALA A 37 -0.279 5.149 4.704 1.00 0.00 C ATOM 543 C ALA A 37 0.608 4.085 4.039 1.00 0.00 C ATOM 544 O ALA A 37 1.740 3.866 4.476 1.00 0.00 O ATOM 545 CB ALA A 37 -0.702 6.227 3.694 1.00 0.00 C ATOM 0 H ALA A 37 1.467 5.781 5.639 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.166 4.647 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.255 5.763 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.336 6.962 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.185 6.722 3.297 1.00 0.00 H new ATOM 551 N ALA A 38 0.108 3.466 2.963 1.00 0.00 N ATOM 552 CA ALA A 38 0.827 2.513 2.116 1.00 0.00 C ATOM 553 C ALA A 38 0.645 2.876 0.639 1.00 0.00 C ATOM 554 O ALA A 38 0.479 2.005 -0.218 1.00 0.00 O ATOM 555 CB ALA A 38 0.411 1.074 2.442 1.00 0.00 C ATOM 0 H ALA A 38 -0.849 3.624 2.647 1.00 0.00 H new ATOM 0 HA ALA A 38 1.895 2.574 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.958 0.383 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.638 0.857 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.659 0.957 2.272 1.00 0.00 H new ATOM 561 N GLU A 39 0.633 4.180 0.348 1.00 0.00 N ATOM 562 CA GLU A 39 0.685 4.675 -1.020 1.00 0.00 C ATOM 563 C GLU A 39 2.082 4.410 -1.605 1.00 0.00 C ATOM 564 O GLU A 39 3.011 4.061 -0.867 1.00 0.00 O ATOM 565 CB GLU A 39 0.344 6.178 -1.053 1.00 0.00 C ATOM 566 CG GLU A 39 -1.075 6.506 -0.560 1.00 0.00 C ATOM 567 CD GLU A 39 -2.172 5.835 -1.408 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.387 6.246 -2.571 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.850 4.906 -0.914 1.00 0.00 O ATOM 0 H GLU A 39 0.587 4.915 1.054 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.052 4.152 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.065 6.718 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.457 6.544 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.177 6.186 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.220 7.586 -0.576 1.00 0.00 H new ATOM 576 N SER A 40 2.250 4.620 -2.913 1.00 0.00 N ATOM 577 CA SER A 40 3.523 4.457 -3.609 1.00 0.00 C ATOM 578 C SER A 40 3.685 5.550 -4.669 1.00 0.00 C ATOM 579 O SER A 40 2.694 6.128 -5.129 1.00 0.00 O ATOM 580 CB SER A 40 3.603 3.077 -4.275 1.00 0.00 C ATOM 581 OG SER A 40 3.153 2.040 -3.417 1.00 0.00 O ATOM 0 H SER A 40 1.490 4.913 -3.527 1.00 0.00 H new ATOM 0 HA SER A 40 4.327 4.540 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.003 3.079 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.633 2.878 -4.573 1.00 0.00 H new ATOM 0 HG SER A 40 3.900 1.441 -3.208 1.00 0.00 H new ATOM 587 N LYS A 41 4.929 5.820 -5.070 1.00 0.00 N ATOM 588 CA LYS A 41 5.287 6.747 -6.148 1.00 0.00 C ATOM 589 C LYS A 41 6.616 6.321 -6.751 1.00 0.00 C ATOM 590 O LYS A 41 7.346 5.539 -6.143 1.00 0.00 O ATOM 591 CB LYS A 41 5.303 8.216 -5.671 1.00 0.00 C ATOM 592 CG LYS A 41 6.075 8.530 -4.377 1.00 0.00 C ATOM 593 CD LYS A 41 7.611 8.575 -4.407 1.00 0.00 C ATOM 594 CE LYS A 41 8.197 9.668 -5.304 1.00 0.00 C ATOM 595 NZ LYS A 41 7.809 11.043 -4.903 1.00 0.00 N ATOM 0 H LYS A 41 5.744 5.384 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 41 4.521 6.701 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.723 8.826 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.270 8.537 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.726 9.497 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.784 7.787 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.977 8.721 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.984 7.608 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.284 9.590 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.875 9.494 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.255 11.730 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.775 11.141 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.125 11.223 -3.928 1.00 0.00 H new ATOM 609 N GLU A 42 6.949 6.864 -7.919 1.00 0.00 N ATOM 610 CA GLU A 42 8.146 6.490 -8.656 1.00 0.00 C ATOM 611 C GLU A 42 9.152 7.639 -8.573 1.00 0.00 C ATOM 612 O GLU A 42 8.760 8.788 -8.356 1.00 0.00 O ATOM 613 CB GLU A 42 7.784 6.185 -10.122 1.00 0.00 C ATOM 614 CG GLU A 42 7.276 4.759 -10.374 1.00 0.00 C ATOM 615 CD GLU A 42 5.904 4.445 -9.762 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.839 4.062 -8.577 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.881 4.470 -10.485 1.00 0.00 O ATOM 0 H GLU A 42 6.390 7.581 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 42 8.589 5.593 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.020 6.891 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.663 6.358 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.225 4.592 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.005 4.053 -9.976 1.00 0.00 H new ATOM 624 N ILE A 43 10.434 7.340 -8.780 1.00 0.00 N ATOM 625 CA ILE A 43 11.524 8.312 -8.830 1.00 0.00 C ATOM 626 C ILE A 43 12.451 7.974 -9.997 1.00 0.00 C ATOM 627 O ILE A 43 12.480 6.833 -10.473 1.00 0.00 O ATOM 628 CB ILE A 43 12.294 8.384 -7.488 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.903 7.024 -7.081 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.377 8.927 -6.384 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.797 7.076 -5.838 1.00 0.00 C ATOM 0 H ILE A 43 10.752 6.381 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 43 11.102 9.304 -8.992 1.00 0.00 H new ATOM 0 HB ILE A 43 13.131 9.069 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.093 6.317 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.486 6.636 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.927 8.974 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.034 9.926 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.517 8.267 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.182 6.079 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.630 7.756 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.216 7.431 -4.987 1.00 0.00 H new ATOM 643 N VAL A 44 13.208 8.976 -10.443 1.00 0.00 N ATOM 644 CA VAL A 44 14.021 8.929 -11.651 1.00 0.00 C ATOM 645 C VAL A 44 15.454 9.247 -11.224 1.00 0.00 C ATOM 646 O VAL A 44 15.699 10.330 -10.686 1.00 0.00 O ATOM 647 CB VAL A 44 13.494 9.969 -12.667 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.122 9.772 -14.052 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.967 9.971 -12.830 1.00 0.00 C ATOM 0 H VAL A 44 13.272 9.870 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 44 13.980 7.953 -12.134 1.00 0.00 H new ATOM 0 HB VAL A 44 13.787 10.930 -12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.728 10.520 -14.740 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.204 9.880 -13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.880 8.776 -14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.680 10.728 -13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.637 8.991 -13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.499 10.195 -11.871 1.00 0.00 H new ATOM 659 N ARG A 45 16.397 8.323 -11.434 1.00 0.00 N ATOM 660 CA ARG A 45 17.799 8.506 -11.048 1.00 0.00 C ATOM 661 C ARG A 45 18.681 7.974 -12.171 1.00 0.00 C ATOM 662 O ARG A 45 18.306 6.994 -12.817 1.00 0.00 O ATOM 663 CB ARG A 45 18.105 7.776 -9.722 1.00 0.00 C ATOM 664 CG ARG A 45 17.256 8.201 -8.506 1.00 0.00 C ATOM 665 CD ARG A 45 17.457 9.652 -8.053 1.00 0.00 C ATOM 666 NE ARG A 45 16.533 10.012 -6.958 1.00 0.00 N ATOM 667 CZ ARG A 45 16.733 9.817 -5.646 1.00 0.00 C ATOM 668 NH1 ARG A 45 17.867 9.280 -5.200 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.784 10.156 -4.780 1.00 0.00 N ATOM 0 H ARG A 45 16.208 7.424 -11.878 1.00 0.00 H new ATOM 0 HA ARG A 45 18.000 9.566 -10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.969 6.706 -9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.156 7.931 -9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.203 8.054 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.487 7.540 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.486 9.791 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.300 10.323 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 45 15.654 10.454 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.598 9.011 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.005 9.138 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.910 10.562 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.930 10.010 -3.781 1.00 0.00 H new ATOM 683 N GLY A 46 19.839 8.587 -12.410 1.00 0.00 N ATOM 684 CA GLY A 46 20.751 8.178 -13.468 1.00 0.00 C ATOM 685 C GLY A 46 21.954 9.097 -13.540 1.00 0.00 C ATOM 686 O GLY A 46 21.797 10.319 -13.489 1.00 0.00 O ATOM 0 H GLY A 46 20.170 9.386 -11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.082 7.155 -13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.228 8.183 -14.424 1.00 0.00 H new ATOM 690 N TYR A 47 23.148 8.513 -13.642 1.00 0.00 N ATOM 691 CA TYR A 47 24.408 9.239 -13.534 1.00 0.00 C ATOM 692 C TYR A 47 25.498 8.467 -14.266 1.00 0.00 C ATOM 693 O TYR A 47 25.412 7.245 -14.394 1.00 0.00 O ATOM 694 CB TYR A 47 24.835 9.368 -12.062 1.00 0.00 C ATOM 695 CG TYR A 47 23.772 9.810 -11.075 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.941 8.841 -10.483 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.656 11.163 -10.701 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.036 9.205 -9.472 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.749 11.537 -9.694 1.00 0.00 C ATOM 700 CZ TYR A 47 21.959 10.554 -9.054 1.00 0.00 C ATOM 701 OH TYR A 47 21.175 10.900 -7.996 1.00 0.00 O ATOM 0 H TYR A 47 23.266 7.513 -13.803 1.00 0.00 H new ATOM 0 HA TYR A 47 24.269 10.230 -13.967 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.221 8.402 -11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.662 10.076 -12.010 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.999 7.813 -10.807 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.263 11.912 -11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.402 8.459 -9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.656 12.575 -9.409 1.00 0.00 H new ATOM 0 HH TYR A 47 21.694 11.445 -7.369 1.00 0.00 H new ATOM 711 N LYS A 48 26.563 9.159 -14.682 1.00 0.00 N ATOM 712 CA LYS A 48 27.690 8.552 -15.395 1.00 0.00 C ATOM 713 C LYS A 48 28.380 7.480 -14.545 1.00 0.00 C ATOM 714 O LYS A 48 28.874 6.501 -15.102 1.00 0.00 O ATOM 715 CB LYS A 48 28.671 9.661 -15.840 1.00 0.00 C ATOM 716 CG LYS A 48 29.155 9.537 -17.296 1.00 0.00 C ATOM 717 CD LYS A 48 30.035 8.321 -17.630 1.00 0.00 C ATOM 718 CE LYS A 48 31.323 8.295 -16.794 1.00 0.00 C ATOM 719 NZ LYS A 48 32.267 7.251 -17.257 1.00 0.00 N ATOM 0 H LYS A 48 26.668 10.163 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 48 27.318 8.043 -16.284 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.187 10.629 -15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.538 9.648 -15.180 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.279 9.512 -17.945 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.712 10.440 -17.547 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.470 7.406 -17.454 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.291 8.339 -18.689 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.808 9.270 -16.845 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.072 8.118 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.100 7.235 -16.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.798 6.323 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.567 7.461 -18.230 1.00 0.00 H new ATOM 733 N TRP A 49 28.418 7.638 -13.215 1.00 0.00 N ATOM 734 CA TRP A 49 29.037 6.644 -12.342 1.00 0.00 C ATOM 735 C TRP A 49 28.278 5.312 -12.351 1.00 0.00 C ATOM 736 O TRP A 49 28.908 4.266 -12.183 1.00 0.00 O ATOM 737 CB TRP A 49 29.255 7.195 -10.921 1.00 0.00 C ATOM 738 CG TRP A 49 28.121 7.895 -10.221 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.057 9.226 -9.989 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.927 7.336 -9.586 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.929 9.526 -9.256 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.192 8.398 -8.973 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.386 6.040 -9.453 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.988 8.181 -8.284 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.146 5.823 -8.825 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.436 6.890 -8.251 1.00 0.00 C ATOM 0 H TRP A 49 28.028 8.443 -12.726 1.00 0.00 H new ATOM 0 HA TRP A 49 30.025 6.428 -12.748 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.565 6.362 -10.290 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.093 7.891 -10.964 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.784 9.949 -10.329 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.672 10.468 -8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.936 5.196 -9.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.491 8.999 -7.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.736 4.825 -8.784 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.475 6.720 -7.789 1.00 0.00 H new ATOM 757 N ALA A 50 26.958 5.311 -12.584 1.00 0.00 N ATOM 758 CA ALA A 50 26.202 4.086 -12.777 1.00 0.00 C ATOM 759 C ALA A 50 26.316 3.674 -14.241 1.00 0.00 C ATOM 760 O ALA A 50 25.429 3.930 -15.055 1.00 0.00 O ATOM 761 CB ALA A 50 24.754 4.237 -12.326 1.00 0.00 C ATOM 0 H ALA A 50 26.395 6.160 -12.642 1.00 0.00 H new ATOM 0 HA ALA A 50 26.619 3.296 -12.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.223 3.299 -12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.728 4.492 -11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.274 5.029 -12.901 1.00 0.00 H new ATOM 767 N GLU A 51 27.431 3.027 -14.577 1.00 0.00 N ATOM 768 CA GLU A 51 27.661 2.464 -15.904 1.00 0.00 C ATOM 769 C GLU A 51 26.633 1.372 -16.251 1.00 0.00 C ATOM 770 O GLU A 51 26.483 1.032 -17.426 1.00 0.00 O ATOM 771 CB GLU A 51 29.097 1.919 -15.987 1.00 0.00 C ATOM 772 CG GLU A 51 30.173 3.021 -15.940 1.00 0.00 C ATOM 773 CD GLU A 51 30.285 3.883 -17.215 1.00 0.00 C ATOM 774 OE1 GLU A 51 29.469 3.758 -18.157 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.238 4.692 -17.288 1.00 0.00 O ATOM 0 H GLU A 51 28.205 2.878 -13.930 1.00 0.00 H new ATOM 0 HA GLU A 51 27.534 3.257 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.262 1.225 -15.163 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.209 1.351 -16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.963 3.676 -15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.140 2.555 -15.749 1.00 0.00 H new ATOM 782 N TYR A 52 25.899 0.851 -15.261 1.00 0.00 N ATOM 783 CA TYR A 52 24.842 -0.138 -15.412 1.00 0.00 C ATOM 784 C TYR A 52 23.700 0.227 -14.466 1.00 0.00 C ATOM 785 O TYR A 52 23.928 0.695 -13.348 1.00 0.00 O ATOM 786 CB TYR A 52 25.352 -1.567 -15.149 1.00 0.00 C ATOM 787 CG TYR A 52 26.526 -1.693 -14.195 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.827 -1.489 -14.684 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.326 -2.007 -12.838 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.934 -1.588 -13.823 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.427 -2.114 -11.968 1.00 0.00 C ATOM 792 CZ TYR A 52 28.738 -1.902 -12.458 1.00 0.00 C ATOM 793 OH TYR A 52 29.816 -1.996 -11.630 1.00 0.00 O ATOM 0 H TYR A 52 26.038 1.125 -14.288 1.00 0.00 H new ATOM 0 HA TYR A 52 24.485 -0.127 -16.442 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.526 -2.159 -14.756 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.636 -2.011 -16.103 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.978 -1.255 -15.727 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.326 -2.166 -12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.932 -1.425 -14.203 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.272 -2.358 -10.927 1.00 0.00 H new ATOM 0 HH TYR A 52 29.514 -2.217 -10.724 1.00 0.00 H new ATOM 803 N HIS A 53 22.465 -0.026 -14.905 1.00 0.00 N ATOM 804 CA HIS A 53 21.227 0.322 -14.197 1.00 0.00 C ATOM 805 C HIS A 53 21.153 -0.339 -12.817 1.00 0.00 C ATOM 806 O HIS A 53 20.586 0.231 -11.885 1.00 0.00 O ATOM 807 CB HIS A 53 19.996 -0.088 -15.031 1.00 0.00 C ATOM 808 CG HIS A 53 20.176 0.065 -16.521 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.845 1.157 -17.294 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.778 -0.850 -17.344 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.274 0.910 -18.545 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.841 -0.308 -18.628 1.00 0.00 N ATOM 0 H HIS A 53 22.291 -0.495 -15.794 1.00 0.00 H new ATOM 0 HA HIS A 53 21.231 1.403 -14.056 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.753 -1.128 -14.811 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.142 0.512 -14.716 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.363 1.998 -16.976 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.141 -1.823 -17.049 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.176 1.597 -19.372 1.00 0.00 H new ATOM 820 N ALA A 54 21.737 -1.533 -12.667 1.00 0.00 N ATOM 821 CA ALA A 54 21.770 -2.230 -11.390 1.00 0.00 C ATOM 822 C ALA A 54 22.520 -1.423 -10.324 1.00 0.00 C ATOM 823 O ALA A 54 22.189 -1.542 -9.145 1.00 0.00 O ATOM 824 CB ALA A 54 22.398 -3.617 -11.568 1.00 0.00 C ATOM 0 H ALA A 54 22.196 -2.036 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 54 20.744 -2.348 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.419 -4.133 -10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.807 -4.196 -12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.415 -3.510 -11.945 1.00 0.00 H new ATOM 830 N ASP A 55 23.498 -0.594 -10.713 1.00 0.00 N ATOM 831 CA ASP A 55 24.273 0.191 -9.753 1.00 0.00 C ATOM 832 C ASP A 55 23.387 1.240 -9.085 1.00 0.00 C ATOM 833 O ASP A 55 23.361 1.345 -7.859 1.00 0.00 O ATOM 834 CB ASP A 55 25.455 0.894 -10.429 1.00 0.00 C ATOM 835 CG ASP A 55 26.434 1.410 -9.365 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.169 0.588 -8.770 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.487 2.635 -9.135 1.00 0.00 O ATOM 0 H ASP A 55 23.768 -0.452 -11.686 1.00 0.00 H new ATOM 0 HA ASP A 55 24.658 -0.500 -9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.965 0.203 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.096 1.724 -11.038 1.00 0.00 H new ATOM 842 N ILE A 56 22.613 1.978 -9.892 1.00 0.00 N ATOM 843 CA ILE A 56 21.659 2.958 -9.391 1.00 0.00 C ATOM 844 C ILE A 56 20.515 2.261 -8.673 1.00 0.00 C ATOM 845 O ILE A 56 20.110 2.765 -7.633 1.00 0.00 O ATOM 846 CB ILE A 56 21.113 3.937 -10.465 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.134 3.395 -11.916 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.768 5.314 -10.272 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.962 4.444 -13.008 1.00 0.00 C ATOM 0 H ILE A 56 22.636 1.907 -10.909 1.00 0.00 H new ATOM 0 HA ILE A 56 22.217 3.580 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 56 20.041 4.052 -10.303 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.079 2.877 -12.079 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.342 2.653 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.388 6.006 -11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.532 5.693 -9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.849 5.221 -10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.991 3.961 -13.985 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.004 4.948 -12.881 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.768 5.175 -12.940 1.00 0.00 H new ATOM 861 N TYR A 57 19.998 1.126 -9.158 1.00 0.00 N ATOM 862 CA TYR A 57 18.929 0.451 -8.431 1.00 0.00 C ATOM 863 C TYR A 57 19.413 0.077 -7.026 1.00 0.00 C ATOM 864 O TYR A 57 18.728 0.384 -6.054 1.00 0.00 O ATOM 865 CB TYR A 57 18.417 -0.786 -9.178 1.00 0.00 C ATOM 866 CG TYR A 57 17.399 -1.580 -8.372 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.279 -0.935 -7.804 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.603 -2.953 -8.136 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.378 -1.651 -7.000 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.694 -3.682 -7.347 1.00 0.00 C ATOM 871 CZ TYR A 57 15.576 -3.031 -6.775 1.00 0.00 C ATOM 872 OH TYR A 57 14.685 -3.721 -6.009 1.00 0.00 O ATOM 0 H TYR A 57 20.293 0.671 -10.022 1.00 0.00 H new ATOM 0 HA TYR A 57 18.090 1.142 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.966 -0.475 -10.120 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.260 -1.430 -9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.114 0.116 -7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.462 -3.449 -8.563 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.534 -1.147 -6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.850 -4.737 -7.178 1.00 0.00 H new ATOM 0 HH TYR A 57 14.961 -4.659 -5.951 1.00 0.00 H new ATOM 882 N ASP A 58 20.605 -0.516 -6.896 1.00 0.00 N ATOM 883 CA ASP A 58 21.146 -0.902 -5.596 1.00 0.00 C ATOM 884 C ASP A 58 21.371 0.318 -4.700 1.00 0.00 C ATOM 885 O ASP A 58 20.921 0.330 -3.554 1.00 0.00 O ATOM 886 CB ASP A 58 22.454 -1.679 -5.762 1.00 0.00 C ATOM 887 CG ASP A 58 23.047 -2.030 -4.387 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.535 -2.959 -3.725 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.042 -1.395 -3.971 1.00 0.00 O ATOM 0 H ASP A 58 21.214 -0.739 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 58 20.411 -1.547 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.273 -2.591 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.168 -1.084 -6.332 1.00 0.00 H new ATOM 894 N LYS A 59 22.020 1.365 -5.225 1.00 0.00 N ATOM 895 CA LYS A 59 22.305 2.589 -4.476 1.00 0.00 C ATOM 896 C LYS A 59 21.015 3.260 -4.015 1.00 0.00 C ATOM 897 O LYS A 59 20.875 3.583 -2.835 1.00 0.00 O ATOM 898 CB LYS A 59 23.164 3.514 -5.354 1.00 0.00 C ATOM 899 CG LYS A 59 23.368 4.922 -4.767 1.00 0.00 C ATOM 900 CD LYS A 59 24.784 5.424 -5.074 1.00 0.00 C ATOM 901 CE LYS A 59 24.935 6.908 -4.716 1.00 0.00 C ATOM 902 NZ LYS A 59 26.267 7.438 -5.099 1.00 0.00 N ATOM 0 H LYS A 59 22.362 1.384 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 59 22.864 2.352 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.139 3.051 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.697 3.604 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.632 5.609 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.207 4.901 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.511 4.836 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.003 5.278 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.157 7.483 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.787 7.040 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.515 8.235 -4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.980 6.688 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.240 7.764 -6.086 1.00 0.00 H new ATOM 916 N VAL A 60 20.077 3.475 -4.931 1.00 0.00 N ATOM 917 CA VAL A 60 18.868 4.228 -4.656 1.00 0.00 C ATOM 918 C VAL A 60 17.954 3.404 -3.757 1.00 0.00 C ATOM 919 O VAL A 60 17.460 3.949 -2.776 1.00 0.00 O ATOM 920 CB VAL A 60 18.204 4.682 -5.965 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.911 5.453 -5.659 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.153 5.599 -6.762 1.00 0.00 C ATOM 0 H VAL A 60 20.138 3.128 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 60 19.106 5.144 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 60 17.976 3.795 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.447 5.771 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.223 4.807 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.144 6.329 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.666 5.911 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.396 6.478 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.069 5.057 -6.999 1.00 0.00 H new ATOM 932 N SER A 61 17.757 2.109 -4.021 1.00 0.00 N ATOM 933 CA SER A 61 16.961 1.265 -3.141 1.00 0.00 C ATOM 934 C SER A 61 17.599 1.233 -1.747 1.00 0.00 C ATOM 935 O SER A 61 16.873 1.287 -0.759 1.00 0.00 O ATOM 936 CB SER A 61 16.794 -0.129 -3.756 1.00 0.00 C ATOM 937 OG SER A 61 15.780 -0.857 -3.087 1.00 0.00 O ATOM 0 H SER A 61 18.139 1.628 -4.836 1.00 0.00 H new ATOM 0 HA SER A 61 15.958 1.677 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.545 -0.037 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.737 -0.673 -3.697 1.00 0.00 H new ATOM 0 HG SER A 61 15.689 -1.743 -3.496 1.00 0.00 H new ATOM 943 N GLY A 62 18.933 1.228 -1.647 1.00 0.00 N ATOM 944 CA GLY A 62 19.642 1.338 -0.382 1.00 0.00 C ATOM 945 C GLY A 62 19.296 2.637 0.346 1.00 0.00 C ATOM 946 O GLY A 62 18.947 2.593 1.526 1.00 0.00 O ATOM 0 H GLY A 62 19.551 1.146 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.391 0.487 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.716 1.296 -0.561 1.00 0.00 H new ATOM 950 N ASP A 63 19.342 3.785 -0.338 1.00 0.00 N ATOM 951 CA ASP A 63 19.009 5.072 0.273 1.00 0.00 C ATOM 952 C ASP A 63 17.543 5.107 0.700 1.00 0.00 C ATOM 953 O ASP A 63 17.249 5.444 1.843 1.00 0.00 O ATOM 954 CB ASP A 63 19.308 6.252 -0.656 1.00 0.00 C ATOM 955 CG ASP A 63 19.100 7.580 0.095 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.963 8.102 0.123 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.090 8.098 0.660 1.00 0.00 O ATOM 0 H ASP A 63 19.608 3.847 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 63 19.644 5.174 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.333 6.188 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.656 6.212 -1.529 1.00 0.00 H new ATOM 962 N MET A 64 16.623 4.687 -0.172 1.00 0.00 N ATOM 963 CA MET A 64 15.208 4.600 0.169 1.00 0.00 C ATOM 964 C MET A 64 14.987 3.702 1.389 1.00 0.00 C ATOM 965 O MET A 64 14.248 4.077 2.298 1.00 0.00 O ATOM 966 CB MET A 64 14.421 4.067 -1.033 1.00 0.00 C ATOM 967 CG MET A 64 14.385 4.980 -2.268 1.00 0.00 C ATOM 968 SD MET A 64 13.701 6.634 -2.005 1.00 0.00 S ATOM 969 CE MET A 64 15.241 7.549 -1.754 1.00 0.00 C ATOM 0 H MET A 64 16.839 4.400 -1.127 1.00 0.00 H new ATOM 0 HA MET A 64 14.851 5.599 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.848 3.108 -1.326 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.396 3.876 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.401 5.084 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.802 4.486 -3.045 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.012 8.585 -1.505 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.805 7.096 -0.938 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.836 7.518 -2.667 1.00 0.00 H new ATOM 979 N GLN A 65 15.637 2.541 1.461 1.00 0.00 N ATOM 980 CA GLN A 65 15.511 1.625 2.583 1.00 0.00 C ATOM 981 C GLN A 65 16.125 2.205 3.862 1.00 0.00 C ATOM 982 O GLN A 65 15.596 1.962 4.945 1.00 0.00 O ATOM 983 CB GLN A 65 16.179 0.290 2.226 1.00 0.00 C ATOM 984 CG GLN A 65 15.338 -0.591 1.289 1.00 0.00 C ATOM 985 CD GLN A 65 16.128 -1.817 0.827 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.520 -2.661 1.631 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.388 -1.961 -0.462 1.00 0.00 N ATOM 0 H GLN A 65 16.271 2.211 0.733 1.00 0.00 H new ATOM 0 HA GLN A 65 14.451 1.466 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.142 0.490 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.382 -0.262 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.432 -0.911 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.024 -0.009 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.063 -1.261 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.913 -2.772 -0.789 1.00 0.00 H new ATOM 996 N LYS A 66 17.199 2.997 3.766 1.00 0.00 N ATOM 997 CA LYS A 66 17.750 3.742 4.894 1.00 0.00 C ATOM 998 C LYS A 66 16.724 4.761 5.401 1.00 0.00 C ATOM 999 O LYS A 66 16.568 4.886 6.617 1.00 0.00 O ATOM 1000 CB LYS A 66 19.070 4.384 4.441 1.00 0.00 C ATOM 1001 CG LYS A 66 19.716 5.360 5.439 1.00 0.00 C ATOM 1002 CD LYS A 66 20.905 6.086 4.789 1.00 0.00 C ATOM 1003 CE LYS A 66 20.432 7.075 3.709 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.548 7.731 2.989 1.00 0.00 N ATOM 0 H LYS A 66 17.711 3.137 2.895 1.00 0.00 H new ATOM 0 HA LYS A 66 17.965 3.086 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.784 3.589 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.892 4.915 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.977 6.088 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.053 4.817 6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.469 6.621 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.582 5.356 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.806 6.546 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.809 7.839 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.240 7.986 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.834 8.590 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.355 7.078 2.931 1.00 0.00 H new ATOM 1018 N GLN A 67 15.999 5.453 4.510 1.00 0.00 N ATOM 1019 CA GLN A 67 14.878 6.305 4.920 1.00 0.00 C ATOM 1020 C GLN A 67 13.778 5.453 5.571 1.00 0.00 C ATOM 1021 O GLN A 67 13.185 5.872 6.564 1.00 0.00 O ATOM 1022 CB GLN A 67 14.346 7.149 3.744 1.00 0.00 C ATOM 1023 CG GLN A 67 15.430 8.076 3.160 1.00 0.00 C ATOM 1024 CD GLN A 67 14.891 9.099 2.158 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.859 9.728 2.373 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.585 9.320 1.051 1.00 0.00 N ATOM 0 H GLN A 67 16.170 5.438 3.504 1.00 0.00 H new ATOM 0 HA GLN A 67 15.236 7.015 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.975 6.487 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.500 7.748 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.922 8.605 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.191 7.468 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.442 8.797 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.262 10.013 0.376 1.00 0.00 H new ATOM 1035 N GLY A 68 13.541 4.247 5.051 1.00 0.00 N ATOM 1036 CA GLY A 68 12.696 3.201 5.634 1.00 0.00 C ATOM 1037 C GLY A 68 11.856 2.449 4.594 1.00 0.00 C ATOM 1038 O GLY A 68 11.207 1.460 4.930 1.00 0.00 O ATOM 0 H GLY A 68 13.955 3.958 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.327 2.488 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.031 3.650 6.372 1.00 0.00 H new ATOM 1042 N CYS A 69 11.839 2.929 3.347 1.00 0.00 N ATOM 1043 CA CYS A 69 10.961 2.472 2.277 1.00 0.00 C ATOM 1044 C CYS A 69 11.301 1.052 1.807 1.00 0.00 C ATOM 1045 O CYS A 69 12.308 0.463 2.195 1.00 0.00 O ATOM 1046 CB CYS A 69 11.089 3.455 1.108 1.00 0.00 C ATOM 1047 SG CYS A 69 10.330 5.041 1.539 1.00 0.00 S ATOM 0 H CYS A 69 12.464 3.677 3.048 1.00 0.00 H new ATOM 0 HA CYS A 69 9.939 2.439 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.140 3.602 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.607 3.042 0.222 1.00 0.00 H new ATOM 0 HG CYS A 69 9.044 4.967 1.367 1.00 0.00 H new ATOM 1053 N ASP A 70 10.472 0.539 0.902 1.00 0.00 N ATOM 1054 CA ASP A 70 10.696 -0.684 0.139 1.00 0.00 C ATOM 1055 C ASP A 70 10.448 -0.285 -1.313 1.00 0.00 C ATOM 1056 O ASP A 70 9.571 0.552 -1.563 1.00 0.00 O ATOM 1057 CB ASP A 70 9.764 -1.808 0.603 1.00 0.00 C ATOM 1058 CG ASP A 70 9.951 -3.070 -0.255 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.102 -3.531 -0.418 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.942 -3.624 -0.745 1.00 0.00 O ATOM 0 H ASP A 70 9.585 0.986 0.670 1.00 0.00 H new ATOM 0 HA ASP A 70 11.701 -1.082 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.964 -2.042 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.728 -1.474 0.543 1.00 0.00 H new ATOM 1065 N CYS A 71 11.218 -0.836 -2.254 1.00 0.00 N ATOM 1066 CA CYS A 71 11.252 -0.361 -3.633 1.00 0.00 C ATOM 1067 C CYS A 71 11.426 -1.488 -4.651 1.00 0.00 C ATOM 1068 O CYS A 71 11.769 -2.615 -4.285 1.00 0.00 O ATOM 1069 CB CYS A 71 12.449 0.588 -3.792 1.00 0.00 C ATOM 1070 SG CYS A 71 12.409 1.948 -2.600 1.00 0.00 S ATOM 0 H CYS A 71 11.837 -1.627 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 71 10.297 0.127 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.375 0.026 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.456 0.994 -4.803 1.00 0.00 H new ATOM 0 HG CYS A 71 13.212 1.683 -1.612 1.00 0.00 H new ATOM 1076 N GLU A 72 11.252 -1.158 -5.935 1.00 0.00 N ATOM 1077 CA GLU A 72 11.583 -2.027 -7.060 1.00 0.00 C ATOM 1078 C GLU A 72 11.846 -1.159 -8.292 1.00 0.00 C ATOM 1079 O GLU A 72 11.129 -0.186 -8.526 1.00 0.00 O ATOM 1080 CB GLU A 72 10.466 -3.057 -7.331 1.00 0.00 C ATOM 1081 CG GLU A 72 9.048 -2.485 -7.498 1.00 0.00 C ATOM 1082 CD GLU A 72 8.030 -3.607 -7.775 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.980 -4.128 -8.912 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.264 -3.981 -6.858 1.00 0.00 O ATOM 0 H GLU A 72 10.868 -0.258 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 72 12.480 -2.598 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.721 -3.611 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.453 -3.774 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.762 -1.944 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.036 -1.767 -8.318 1.00 0.00 H new ATOM 1091 N CYS A 73 12.878 -1.482 -9.076 1.00 0.00 N ATOM 1092 CA CYS A 73 13.098 -0.877 -10.384 1.00 0.00 C ATOM 1093 C CYS A 73 12.010 -1.424 -11.314 1.00 0.00 C ATOM 1094 O CYS A 73 11.990 -2.622 -11.612 1.00 0.00 O ATOM 1095 CB CYS A 73 14.521 -1.170 -10.895 1.00 0.00 C ATOM 1096 SG CYS A 73 14.969 -2.913 -10.637 1.00 0.00 S ATOM 0 H CYS A 73 13.583 -2.172 -8.817 1.00 0.00 H new ATOM 0 HA CYS A 73 13.027 0.210 -10.337 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.586 -0.929 -11.956 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.235 -0.528 -10.378 1.00 0.00 H new ATOM 0 HG CYS A 73 15.387 -3.424 -11.757 1.00 0.00 H new ATOM 1102 N LEU A 74 11.086 -0.567 -11.755 1.00 0.00 N ATOM 1103 CA LEU A 74 10.047 -0.953 -12.708 1.00 0.00 C ATOM 1104 C LEU A 74 10.658 -1.199 -14.091 1.00 0.00 C ATOM 1105 O LEU A 74 10.103 -1.959 -14.885 1.00 0.00 O ATOM 1106 CB LEU A 74 8.961 0.133 -12.793 1.00 0.00 C ATOM 1107 CG LEU A 74 8.207 0.423 -11.478 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.080 1.424 -11.749 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.612 -0.839 -10.841 1.00 0.00 C ATOM 0 H LEU A 74 11.038 0.409 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 74 9.586 -1.877 -12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.423 1.058 -13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.235 -0.162 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 74 8.934 0.832 -10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.546 1.630 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.502 2.350 -12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.389 1.005 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.094 -0.572 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.907 -1.298 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.412 -1.545 -10.616 1.00 0.00 H new ATOM 1121 N GLY A 75 11.799 -0.569 -14.374 1.00 0.00 N ATOM 1122 CA GLY A 75 12.568 -0.714 -15.594 1.00 0.00 C ATOM 1123 C GLY A 75 13.644 0.362 -15.603 1.00 0.00 C ATOM 1124 O GLY A 75 13.902 1.009 -14.581 1.00 0.00 O ATOM 0 H GLY A 75 12.227 0.087 -13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.020 -1.705 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.922 -0.614 -16.466 1.00 0.00 H new ATOM 1128 N GLY A 76 14.238 0.602 -16.765 1.00 0.00 N ATOM 1129 CA GLY A 76 15.160 1.706 -16.963 1.00 0.00 C ATOM 1130 C GLY A 76 15.467 1.854 -18.444 1.00 0.00 C ATOM 1131 O GLY A 76 14.750 1.312 -19.290 1.00 0.00 O ATOM 0 H GLY A 76 14.091 0.032 -17.598 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.727 2.629 -16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.080 1.529 -16.406 1.00 0.00 H new ATOM 1135 N GLY A 77 16.542 2.572 -18.739 1.00 0.00 N ATOM 1136 CA GLY A 77 16.962 2.919 -20.085 1.00 0.00 C ATOM 1137 C GLY A 77 18.242 3.731 -19.982 1.00 0.00 C ATOM 1138 O GLY A 77 18.940 3.665 -18.961 1.00 0.00 O ATOM 0 H GLY A 77 17.166 2.941 -18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.128 2.019 -20.676 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.186 3.494 -20.590 1.00 0.00 H new ATOM 1142 N ARG A 78 18.555 4.533 -20.995 1.00 0.00 N ATOM 1143 CA ARG A 78 19.676 5.458 -20.928 1.00 0.00 C ATOM 1144 C ARG A 78 19.215 6.847 -21.333 1.00 0.00 C ATOM 1145 O ARG A 78 18.112 7.032 -21.858 1.00 0.00 O ATOM 1146 CB ARG A 78 20.890 4.916 -21.705 1.00 0.00 C ATOM 1147 CG ARG A 78 20.830 5.112 -23.228 1.00 0.00 C ATOM 1148 CD ARG A 78 22.104 4.572 -23.887 1.00 0.00 C ATOM 1149 NE ARG A 78 22.102 3.102 -23.997 1.00 0.00 N ATOM 1150 CZ ARG A 78 23.171 2.302 -23.927 1.00 0.00 C ATOM 1151 NH1 ARG A 78 24.394 2.804 -23.756 1.00 0.00 N ATOM 1152 NH2 ARG A 78 23.013 0.989 -24.022 1.00 0.00 N ATOM 0 H ARG A 78 18.043 4.559 -21.877 1.00 0.00 H new ATOM 0 HA ARG A 78 20.034 5.550 -19.903 1.00 0.00 H new ATOM 0 HB2 ARG A 78 21.790 5.401 -21.327 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.990 3.851 -21.495 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.958 4.599 -23.633 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.713 6.171 -23.460 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.208 5.008 -24.881 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.971 4.889 -23.308 1.00 0.00 H new ATOM 0 HE ARG A 78 21.198 2.652 -24.140 1.00 0.00 H new ATOM 0 HH11 ARG A 78 24.525 3.812 -23.676 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.199 2.180 -23.705 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.080 0.595 -24.148 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.824 0.373 -23.969 1.00 0.00 H new ATOM 1166 N ILE A 79 20.055 7.823 -21.033 1.00 0.00 N ATOM 1167 CA ILE A 79 19.764 9.233 -21.122 1.00 0.00 C ATOM 1168 C ILE A 79 20.931 9.856 -21.875 1.00 0.00 C ATOM 1169 O ILE A 79 22.088 9.527 -21.600 1.00 0.00 O ATOM 1170 CB ILE A 79 19.566 9.790 -19.692 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.190 9.319 -19.162 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.634 11.328 -19.682 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.732 9.934 -17.832 1.00 0.00 C ATOM 0 H ILE A 79 21.003 7.638 -20.705 1.00 0.00 H new ATOM 0 HA ILE A 79 18.844 9.461 -21.660 1.00 0.00 H new ATOM 0 HB ILE A 79 20.365 9.417 -19.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.437 9.539 -19.919 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.219 8.235 -19.047 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.492 11.692 -18.664 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.608 11.652 -20.050 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.851 11.731 -20.324 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.757 9.530 -17.561 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.454 9.693 -17.052 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.660 11.016 -17.937 1.00 0.00 H new ATOM 1185 N SER A 80 20.617 10.762 -22.802 1.00 0.00 N ATOM 1186 CA SER A 80 21.593 11.390 -23.679 1.00 0.00 C ATOM 1187 C SER A 80 21.165 12.819 -23.992 1.00 0.00 C ATOM 1188 O SER A 80 19.991 13.069 -24.269 1.00 0.00 O ATOM 1189 CB SER A 80 21.674 10.610 -25.001 1.00 0.00 C ATOM 1190 OG SER A 80 21.998 9.248 -24.796 1.00 0.00 O ATOM 0 H SER A 80 19.662 11.082 -22.963 1.00 0.00 H new ATOM 0 HA SER A 80 22.562 11.392 -23.180 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.719 10.681 -25.522 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.424 11.068 -25.646 1.00 0.00 H new ATOM 0 HG SER A 80 22.038 8.788 -25.660 1.00 0.00 H new ATOM 1196 N HIS A 81 22.106 13.759 -23.949 1.00 0.00 N ATOM 1197 CA HIS A 81 21.893 15.111 -24.454 1.00 0.00 C ATOM 1198 C HIS A 81 21.676 15.001 -25.971 1.00 0.00 C ATOM 1199 O HIS A 81 22.378 14.224 -26.628 1.00 0.00 O ATOM 1200 CB HIS A 81 23.124 15.950 -24.087 1.00 0.00 C ATOM 1201 CG HIS A 81 23.130 17.379 -24.573 1.00 0.00 C ATOM 1202 ND1 HIS A 81 22.056 18.228 -24.746 1.00 0.00 N ATOM 1203 CD2 HIS A 81 24.260 18.097 -24.869 1.00 0.00 C ATOM 1204 CE1 HIS A 81 22.536 19.415 -25.147 1.00 0.00 C ATOM 1205 NE2 HIS A 81 23.879 19.393 -25.236 1.00 0.00 N ATOM 0 H HIS A 81 23.037 13.604 -23.563 1.00 0.00 H new ATOM 0 HA HIS A 81 21.021 15.599 -24.019 1.00 0.00 H new ATOM 0 HB2 HIS A 81 23.221 15.958 -23.001 1.00 0.00 H new ATOM 0 HB3 HIS A 81 24.008 15.451 -24.483 1.00 0.00 H new ATOM 0 HD1 HIS A 81 21.074 17.995 -24.596 1.00 0.00 H new ATOM 0 HD2 HIS A 81 25.273 17.725 -24.826 1.00 0.00 H new ATOM 0 HE1 HIS A 81 21.924 20.277 -25.370 1.00 0.00 H new ATOM 1213 N GLN A 82 20.701 15.730 -26.532 1.00 0.00 N ATOM 1214 CA GLN A 82 20.470 15.717 -27.974 1.00 0.00 C ATOM 1215 C GLN A 82 21.722 16.238 -28.697 1.00 0.00 C ATOM 1216 O GLN A 82 22.408 17.142 -28.214 1.00 0.00 O ATOM 1217 CB GLN A 82 19.210 16.516 -28.358 1.00 0.00 C ATOM 1218 CG GLN A 82 17.903 15.856 -27.871 1.00 0.00 C ATOM 1219 CD GLN A 82 16.641 16.370 -28.583 1.00 0.00 C ATOM 1220 OE1 GLN A 82 16.679 17.204 -29.483 1.00 0.00 O ATOM 1221 NE2 GLN A 82 15.471 15.868 -28.224 1.00 0.00 N ATOM 0 H GLN A 82 20.065 16.332 -26.008 1.00 0.00 H new ATOM 0 HA GLN A 82 20.286 14.690 -28.291 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.282 17.519 -27.938 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.173 16.626 -29.442 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.976 14.778 -28.016 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.799 16.027 -26.800 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.421 15.174 -27.478 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.619 16.175 -28.693 1.00 0.00 H new ATOM 1230 N SER A 83 22.018 15.666 -29.866 1.00 0.00 N ATOM 1231 CA SER A 83 23.271 15.865 -30.588 1.00 0.00 C ATOM 1232 C SER A 83 23.519 17.311 -31.045 1.00 0.00 C ATOM 1233 O SER A 83 24.677 17.696 -31.228 1.00 0.00 O ATOM 1234 CB SER A 83 23.285 14.919 -31.798 1.00 0.00 C ATOM 1235 OG SER A 83 22.849 13.615 -31.431 1.00 0.00 O ATOM 0 H SER A 83 21.375 15.036 -30.347 1.00 0.00 H new ATOM 0 HA SER A 83 24.081 15.643 -29.893 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.639 15.315 -32.581 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.292 14.867 -32.212 1.00 0.00 H new ATOM 0 HG SER A 83 22.865 13.031 -32.218 1.00 0.00 H new ATOM 1241 N GLN A 84 22.460 18.105 -31.248 1.00 0.00 N ATOM 1242 CA GLN A 84 22.541 19.435 -31.857 1.00 0.00 C ATOM 1243 C GLN A 84 21.460 20.378 -31.301 1.00 0.00 C ATOM 1244 O GLN A 84 21.069 21.340 -31.965 1.00 0.00 O ATOM 1245 CB GLN A 84 22.485 19.293 -33.394 1.00 0.00 C ATOM 1246 CG GLN A 84 21.203 18.632 -33.931 1.00 0.00 C ATOM 1247 CD GLN A 84 21.200 18.594 -35.460 1.00 0.00 C ATOM 1248 OE1 GLN A 84 21.659 17.635 -36.078 1.00 0.00 O ATOM 1249 NE2 GLN A 84 20.694 19.631 -36.110 1.00 0.00 N ATOM 0 H GLN A 84 21.511 17.836 -30.990 1.00 0.00 H new ATOM 0 HA GLN A 84 23.492 19.898 -31.596 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.582 20.282 -33.841 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.344 18.709 -33.723 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.122 17.618 -33.539 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.331 19.182 -33.576 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.315 20.423 -35.591 1.00 0.00 H new ATOM 0 HE22 GLN A 84 20.683 19.638 -37.130 1.00 0.00 H new ATOM 1258 N ASP A 85 20.938 20.093 -30.104 1.00 0.00 N ATOM 1259 CA ASP A 85 19.820 20.819 -29.501 1.00 0.00 C ATOM 1260 C ASP A 85 19.965 20.783 -27.979 1.00 0.00 C ATOM 1261 O ASP A 85 20.567 19.855 -27.441 1.00 0.00 O ATOM 1262 CB ASP A 85 18.505 20.163 -29.934 1.00 0.00 C ATOM 1263 CG ASP A 85 17.302 20.841 -29.277 1.00 0.00 C ATOM 1264 OD1 ASP A 85 16.904 20.413 -28.171 1.00 0.00 O ATOM 1265 OD2 ASP A 85 16.752 21.798 -29.862 1.00 0.00 O ATOM 0 H ASP A 85 21.289 19.336 -29.517 1.00 0.00 H new ATOM 0 HA ASP A 85 19.819 21.858 -29.830 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.409 20.218 -31.018 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.519 19.106 -29.669 1.00 0.00 H new ATOM 1270 N LYS A 86 19.445 21.798 -27.279 1.00 0.00 N ATOM 1271 CA LYS A 86 19.618 21.957 -25.835 1.00 0.00 C ATOM 1272 C LYS A 86 19.054 20.795 -25.003 1.00 0.00 C ATOM 1273 O LYS A 86 19.546 20.578 -23.895 1.00 0.00 O ATOM 1274 CB LYS A 86 19.036 23.306 -25.371 1.00 0.00 C ATOM 1275 CG LYS A 86 17.515 23.452 -25.584 1.00 0.00 C ATOM 1276 CD LYS A 86 16.956 24.784 -25.060 1.00 0.00 C ATOM 1277 CE LYS A 86 17.535 26.005 -25.793 1.00 0.00 C ATOM 1278 NZ LYS A 86 16.938 27.278 -25.319 1.00 0.00 N ATOM 0 H LYS A 86 18.887 22.538 -27.706 1.00 0.00 H new ATOM 0 HA LYS A 86 20.693 21.944 -25.655 1.00 0.00 H new ATOM 0 HB2 LYS A 86 19.256 23.438 -24.312 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.544 24.110 -25.904 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.294 23.366 -26.648 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.004 22.629 -25.084 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.871 24.784 -25.166 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.172 24.869 -23.995 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.615 26.036 -25.648 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.360 25.900 -26.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.358 28.074 -25.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.911 27.261 -25.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.126 27.392 -24.303 1.00 0.00 H new ATOM 1292 N LYS A 87 18.024 20.089 -25.484 1.00 0.00 N ATOM 1293 CA LYS A 87 17.286 19.116 -24.677 1.00 0.00 C ATOM 1294 C LYS A 87 18.120 17.879 -24.335 1.00 0.00 C ATOM 1295 O LYS A 87 19.210 17.646 -24.872 1.00 0.00 O ATOM 1296 CB LYS A 87 15.974 18.733 -25.385 1.00 0.00 C ATOM 1297 CG LYS A 87 15.000 19.923 -25.465 1.00 0.00 C ATOM 1298 CD LYS A 87 13.618 19.527 -26.011 1.00 0.00 C ATOM 1299 CE LYS A 87 13.649 18.878 -27.405 1.00 0.00 C ATOM 1300 NZ LYS A 87 14.225 19.770 -28.441 1.00 0.00 N ATOM 0 H LYS A 87 17.681 20.177 -26.441 1.00 0.00 H new ATOM 0 HA LYS A 87 17.048 19.590 -23.725 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.195 18.375 -26.391 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.499 17.910 -24.851 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.882 20.358 -24.472 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.430 20.696 -26.102 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.149 18.835 -25.312 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.988 20.416 -26.051 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.231 17.958 -27.360 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.635 18.600 -27.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.144 19.317 -29.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.708 20.672 -28.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.227 19.947 -28.228 1.00 0.00 H new ATOM 1314 N ILE A 88 17.546 17.032 -23.486 1.00 0.00 N ATOM 1315 CA ILE A 88 18.029 15.703 -23.141 1.00 0.00 C ATOM 1316 C ILE A 88 16.899 14.731 -23.521 1.00 0.00 C ATOM 1317 O ILE A 88 15.732 15.119 -23.627 1.00 0.00 O ATOM 1318 CB ILE A 88 18.473 15.697 -21.650 1.00 0.00 C ATOM 1319 CG1 ILE A 88 19.763 16.533 -21.460 1.00 0.00 C ATOM 1320 CG2 ILE A 88 18.687 14.282 -21.092 1.00 0.00 C ATOM 1321 CD1 ILE A 88 20.137 16.801 -19.997 1.00 0.00 C ATOM 0 H ILE A 88 16.684 17.269 -22.994 1.00 0.00 H new ATOM 0 HA ILE A 88 18.921 15.386 -23.682 1.00 0.00 H new ATOM 0 HB ILE A 88 17.655 16.147 -21.087 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.591 16.016 -21.945 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.641 17.488 -21.971 1.00 0.00 H new ATOM 0 HG21 ILE A 88 18.995 14.345 -20.048 1.00 0.00 H new ATOM 0 HG22 ILE A 88 17.756 13.719 -21.162 1.00 0.00 H new ATOM 0 HG23 ILE A 88 19.461 13.777 -21.669 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.052 17.392 -19.958 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.330 17.348 -19.510 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.295 15.853 -19.482 1.00 0.00 H new ATOM 1333 N HIS A 89 17.244 13.471 -23.766 1.00 0.00 N ATOM 1334 CA HIS A 89 16.354 12.441 -24.277 1.00 0.00 C ATOM 1335 C HIS A 89 16.485 11.211 -23.378 1.00 0.00 C ATOM 1336 O HIS A 89 17.574 10.948 -22.863 1.00 0.00 O ATOM 1337 CB HIS A 89 16.761 12.136 -25.725 1.00 0.00 C ATOM 1338 CG HIS A 89 15.739 11.342 -26.495 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.568 11.836 -27.015 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.829 10.031 -26.879 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.963 10.851 -27.697 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.692 9.722 -27.638 1.00 0.00 N ATOM 0 H HIS A 89 18.191 13.128 -23.606 1.00 0.00 H new ATOM 0 HA HIS A 89 15.312 12.760 -24.273 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.943 13.076 -26.246 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.703 11.587 -25.719 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.635 9.353 -26.639 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.023 10.951 -28.220 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.463 8.822 -28.061 1.00 0.00 H new ATOM 1350 N VAL A 90 15.401 10.455 -23.207 1.00 0.00 N ATOM 1351 CA VAL A 90 15.300 9.308 -22.309 1.00 0.00 C ATOM 1352 C VAL A 90 14.738 8.166 -23.157 1.00 0.00 C ATOM 1353 O VAL A 90 13.658 8.307 -23.727 1.00 0.00 O ATOM 1354 CB VAL A 90 14.370 9.651 -21.121 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.420 8.538 -20.065 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.694 10.998 -20.447 1.00 0.00 C ATOM 0 H VAL A 90 14.533 10.634 -23.712 1.00 0.00 H new ATOM 0 HA VAL A 90 16.262 9.029 -21.879 1.00 0.00 H new ATOM 0 HB VAL A 90 13.369 9.737 -21.545 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.761 8.794 -19.235 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.094 7.598 -20.511 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.441 8.431 -19.698 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.000 11.169 -19.624 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.714 10.977 -20.064 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.597 11.802 -21.176 1.00 0.00 H new ATOM 1366 N TYR A 91 15.464 7.060 -23.317 1.00 0.00 N ATOM 1367 CA TYR A 91 15.097 6.034 -24.291 1.00 0.00 C ATOM 1368 C TYR A 91 15.754 4.694 -23.955 1.00 0.00 C ATOM 1369 O TYR A 91 16.467 4.574 -22.955 1.00 0.00 O ATOM 1370 CB TYR A 91 15.480 6.524 -25.704 1.00 0.00 C ATOM 1371 CG TYR A 91 16.965 6.500 -26.044 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.899 7.220 -25.275 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.412 5.749 -27.148 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.267 7.153 -25.572 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.783 5.679 -27.458 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.721 6.378 -26.663 1.00 0.00 C ATOM 1377 OH TYR A 91 21.053 6.329 -26.942 1.00 0.00 O ATOM 0 H TYR A 91 16.309 6.852 -22.785 1.00 0.00 H new ATOM 0 HA TYR A 91 14.020 5.868 -24.257 1.00 0.00 H new ATOM 0 HB2 TYR A 91 14.951 5.911 -26.434 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.118 7.545 -25.823 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.559 7.828 -24.450 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.697 5.222 -27.762 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.977 7.696 -24.965 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.118 5.093 -28.301 1.00 0.00 H new ATOM 0 HH TYR A 91 21.203 5.753 -27.721 1.00 0.00 H new ATOM 1387 N GLY A 92 15.545 3.689 -24.807 1.00 0.00 N ATOM 1388 CA GLY A 92 16.152 2.379 -24.652 1.00 0.00 C ATOM 1389 C GLY A 92 15.423 1.545 -23.608 1.00 0.00 C ATOM 1390 O GLY A 92 14.246 1.766 -23.313 1.00 0.00 O ATOM 0 H GLY A 92 14.944 3.768 -25.628 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.141 1.857 -25.609 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.197 2.493 -24.363 1.00 0.00 H new ATOM 1394 N TYR A 93 16.132 0.553 -23.082 1.00 0.00 N ATOM 1395 CA TYR A 93 15.654 -0.395 -22.090 1.00 0.00 C ATOM 1396 C TYR A 93 16.817 -0.702 -21.156 1.00 0.00 C ATOM 1397 O TYR A 93 17.977 -0.609 -21.571 1.00 0.00 O ATOM 1398 CB TYR A 93 15.140 -1.670 -22.782 1.00 0.00 C ATOM 1399 CG TYR A 93 16.108 -2.319 -23.759 1.00 0.00 C ATOM 1400 CD1 TYR A 93 17.033 -3.284 -23.313 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.086 -1.954 -25.120 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.945 -3.866 -24.211 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.990 -2.536 -26.027 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.930 -3.489 -25.575 1.00 0.00 C ATOM 1405 OH TYR A 93 18.805 -4.042 -26.463 1.00 0.00 O ATOM 0 H TYR A 93 17.101 0.382 -23.350 1.00 0.00 H new ATOM 0 HA TYR A 93 14.822 0.019 -21.521 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.881 -2.400 -22.015 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.221 -1.428 -23.315 1.00 0.00 H new ATOM 0 HD1 TYR A 93 17.041 -3.579 -22.274 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.371 -1.223 -25.469 1.00 0.00 H new ATOM 0 HE1 TYR A 93 18.656 -4.600 -23.860 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.966 -2.254 -27.069 1.00 0.00 H new ATOM 0 HH TYR A 93 18.649 -3.665 -27.354 1.00 0.00 H new ATOM 1415 N SER A 94 16.534 -1.053 -19.899 1.00 0.00 N ATOM 1416 CA SER A 94 17.596 -1.457 -18.997 1.00 0.00 C ATOM 1417 C SER A 94 18.085 -2.844 -19.402 1.00 0.00 C ATOM 1418 O SER A 94 17.280 -3.730 -19.707 1.00 0.00 O ATOM 1419 CB SER A 94 17.173 -1.386 -17.527 1.00 0.00 C ATOM 1420 OG SER A 94 16.094 -2.246 -17.237 1.00 0.00 O ATOM 0 H SER A 94 15.597 -1.064 -19.496 1.00 0.00 H new ATOM 0 HA SER A 94 18.424 -0.753 -19.085 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.022 -1.646 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.894 -0.361 -17.281 1.00 0.00 H new ATOM 0 HG SER A 94 15.320 -1.994 -17.782 1.00 0.00 H new ATOM 1426 N MET A 95 19.401 -3.052 -19.351 1.00 0.00 N ATOM 1427 CA MET A 95 20.035 -4.328 -19.679 1.00 0.00 C ATOM 1428 C MET A 95 19.649 -5.467 -18.717 1.00 0.00 C ATOM 1429 O MET A 95 20.023 -6.613 -18.973 1.00 0.00 O ATOM 1430 CB MET A 95 21.565 -4.147 -19.718 1.00 0.00 C ATOM 1431 CG MET A 95 22.033 -3.163 -20.802 1.00 0.00 C ATOM 1432 SD MET A 95 21.566 -3.566 -22.514 1.00 0.00 S ATOM 1433 CE MET A 95 22.507 -5.096 -22.777 1.00 0.00 C ATOM 0 H MET A 95 20.065 -2.328 -19.077 1.00 0.00 H new ATOM 0 HA MET A 95 19.667 -4.627 -20.661 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.907 -3.795 -18.745 1.00 0.00 H new ATOM 0 HB3 MET A 95 22.034 -5.116 -19.889 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.636 -2.176 -20.563 1.00 0.00 H new ATOM 0 HG3 MET A 95 23.119 -3.090 -20.752 1.00 0.00 H new ATOM 0 HE1 MET A 95 22.381 -5.428 -23.807 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.563 -4.911 -22.582 1.00 0.00 H new ATOM 0 HE3 MET A 95 22.143 -5.868 -22.099 1.00 0.00 H new ATOM 1443 N ALA A 96 18.918 -5.184 -17.627 1.00 0.00 N ATOM 1444 CA ALA A 96 18.588 -6.159 -16.589 1.00 0.00 C ATOM 1445 C ALA A 96 17.094 -6.205 -16.234 1.00 0.00 C ATOM 1446 O ALA A 96 16.662 -7.223 -15.691 1.00 0.00 O ATOM 1447 CB ALA A 96 19.432 -5.858 -15.344 1.00 0.00 C ATOM 0 H ALA A 96 18.536 -4.256 -17.444 1.00 0.00 H new ATOM 0 HA ALA A 96 18.821 -7.148 -16.984 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.195 -6.579 -14.561 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.490 -5.930 -15.596 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.211 -4.851 -14.989 1.00 0.00 H new ATOM 1453 N TYR A 97 16.299 -5.168 -16.541 1.00 0.00 N ATOM 1454 CA TYR A 97 14.908 -5.065 -16.080 1.00 0.00 C ATOM 1455 C TYR A 97 13.946 -4.613 -17.192 1.00 0.00 C ATOM 1456 O TYR A 97 12.748 -4.467 -16.935 1.00 0.00 O ATOM 1457 CB TYR A 97 14.823 -4.135 -14.853 1.00 0.00 C ATOM 1458 CG TYR A 97 15.900 -4.354 -13.804 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.862 -5.501 -12.984 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.955 -3.430 -13.668 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.875 -5.725 -12.036 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.969 -3.644 -12.715 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.932 -4.797 -11.895 1.00 0.00 C ATOM 1464 OH TYR A 97 18.911 -5.037 -10.977 1.00 0.00 O ATOM 0 H TYR A 97 16.602 -4.380 -17.114 1.00 0.00 H new ATOM 0 HA TYR A 97 14.586 -6.065 -15.789 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.875 -3.101 -15.195 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.848 -4.266 -14.384 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.053 -6.209 -13.085 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.986 -2.553 -14.298 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.846 -6.608 -11.414 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.773 -2.930 -12.610 1.00 0.00 H new ATOM 0 HH TYR A 97 19.567 -4.309 -11.000 1.00 0.00 H new ATOM 1474 N GLY A 98 14.430 -4.418 -18.425 1.00 0.00 N ATOM 1475 CA GLY A 98 13.606 -4.018 -19.558 1.00 0.00 C ATOM 1476 C GLY A 98 13.295 -2.516 -19.551 1.00 0.00 C ATOM 1477 O GLY A 98 13.844 -1.766 -18.731 1.00 0.00 O ATOM 0 H GLY A 98 15.415 -4.536 -18.660 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.117 -4.276 -20.485 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.672 -4.580 -19.542 1.00 0.00 H new ATOM 1481 N PRO A 99 12.476 -2.042 -20.504 1.00 0.00 N ATOM 1482 CA PRO A 99 12.119 -0.635 -20.606 1.00 0.00 C ATOM 1483 C PRO A 99 11.168 -0.236 -19.478 1.00 0.00 C ATOM 1484 O PRO A 99 10.218 -0.957 -19.156 1.00 0.00 O ATOM 1485 CB PRO A 99 11.466 -0.474 -21.982 1.00 0.00 C ATOM 1486 CG PRO A 99 10.872 -1.855 -22.265 1.00 0.00 C ATOM 1487 CD PRO A 99 11.833 -2.814 -21.560 1.00 0.00 C ATOM 0 HA PRO A 99 12.988 0.015 -20.508 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.697 0.298 -21.972 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.195 -0.189 -22.740 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.859 -1.943 -21.873 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.818 -2.056 -23.335 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.297 -3.668 -21.146 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.571 -3.209 -22.258 1.00 0.00 H new ATOM 1495 N ALA A 100 11.421 0.931 -18.890 1.00 0.00 N ATOM 1496 CA ALA A 100 10.499 1.564 -17.961 1.00 0.00 C ATOM 1497 C ALA A 100 9.348 2.229 -18.724 1.00 0.00 C ATOM 1498 O ALA A 100 9.362 2.323 -19.956 1.00 0.00 O ATOM 1499 CB ALA A 100 11.247 2.663 -17.211 1.00 0.00 C ATOM 0 H ALA A 100 12.276 1.464 -19.048 1.00 0.00 H new ATOM 0 HA ALA A 100 10.106 0.808 -17.282 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.570 3.150 -16.509 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.084 2.227 -16.666 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.622 3.399 -17.923 1.00 0.00 H new ATOM 1505 N GLN A 101 8.375 2.754 -17.975 1.00 0.00 N ATOM 1506 CA GLN A 101 7.347 3.630 -18.515 1.00 0.00 C ATOM 1507 C GLN A 101 8.015 5.002 -18.631 1.00 0.00 C ATOM 1508 O GLN A 101 7.877 5.841 -17.744 1.00 0.00 O ATOM 1509 CB GLN A 101 6.115 3.669 -17.597 1.00 0.00 C ATOM 1510 CG GLN A 101 5.215 2.448 -17.774 1.00 0.00 C ATOM 1511 CD GLN A 101 4.056 2.452 -16.775 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.095 1.784 -15.746 1.00 0.00 O ATOM 1513 NE2 GLN A 101 2.999 3.206 -17.045 1.00 0.00 N ATOM 0 H GLN A 101 8.283 2.579 -16.974 1.00 0.00 H new ATOM 0 HA GLN A 101 6.978 3.284 -19.480 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.441 3.728 -16.559 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.541 4.572 -17.803 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.820 2.431 -18.790 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.804 1.540 -17.645 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.972 3.759 -17.902 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.213 3.233 -16.396 1.00 0.00 H new ATOM 1522 N HIS A 102 8.790 5.218 -19.694 1.00 0.00 N ATOM 1523 CA HIS A 102 9.603 6.420 -19.884 1.00 0.00 C ATOM 1524 C HIS A 102 8.803 7.728 -19.881 1.00 0.00 C ATOM 1525 O HIS A 102 9.383 8.795 -19.687 1.00 0.00 O ATOM 1526 CB HIS A 102 10.416 6.267 -21.173 1.00 0.00 C ATOM 1527 CG HIS A 102 11.510 5.253 -21.012 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.524 5.358 -20.110 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 11.595 4.001 -21.581 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 13.228 4.151 -20.098 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 12.639 3.369 -21.016 1.00 0.00 N flip ATOM 0 H HIS A 102 8.872 4.551 -20.461 1.00 0.00 H new ATOM 0 HA HIS A 102 10.266 6.503 -19.023 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.757 5.967 -21.988 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.847 7.229 -21.450 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.942 3.600 -22.342 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.074 3.899 -19.476 1.00 0.00 H new ATOM 0 HE2 HIS A 102 12.942 2.424 -21.253 1.00 0.00 H new ATOM 1539 N ALA A 103 7.479 7.649 -20.041 1.00 0.00 N ATOM 1540 CA ALA A 103 6.582 8.781 -19.872 1.00 0.00 C ATOM 1541 C ALA A 103 6.651 9.324 -18.438 1.00 0.00 C ATOM 1542 O ALA A 103 6.630 10.540 -18.247 1.00 0.00 O ATOM 1543 CB ALA A 103 5.158 8.339 -20.228 1.00 0.00 C ATOM 0 H ALA A 103 7.001 6.785 -20.294 1.00 0.00 H new ATOM 0 HA ALA A 103 6.885 9.590 -20.537 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.475 9.179 -20.105 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.131 7.997 -21.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.854 7.525 -19.569 1.00 0.00 H new ATOM 1549 N ILE A 104 6.759 8.445 -17.430 1.00 0.00 N ATOM 1550 CA ILE A 104 6.924 8.834 -16.032 1.00 0.00 C ATOM 1551 C ILE A 104 8.215 9.648 -15.921 1.00 0.00 C ATOM 1552 O ILE A 104 8.215 10.730 -15.331 1.00 0.00 O ATOM 1553 CB ILE A 104 6.954 7.583 -15.113 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.732 6.667 -15.350 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.034 7.998 -13.635 1.00 0.00 C ATOM 1556 CD1 ILE A 104 5.719 5.387 -14.510 1.00 0.00 C ATOM 0 H ILE A 104 6.733 7.435 -17.570 1.00 0.00 H new ATOM 0 HA ILE A 104 6.081 9.441 -15.703 1.00 0.00 H new ATOM 0 HB ILE A 104 7.848 7.013 -15.368 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.825 7.233 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.699 6.394 -16.405 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.054 7.107 -13.007 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.941 8.579 -13.469 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.164 8.602 -13.379 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.826 4.808 -14.743 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.605 4.794 -14.736 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.717 5.647 -13.451 1.00 0.00 H new ATOM 1568 N SER A 105 9.299 9.144 -16.516 1.00 0.00 N ATOM 1569 CA SER A 105 10.617 9.745 -16.467 1.00 0.00 C ATOM 1570 C SER A 105 10.578 11.185 -16.976 1.00 0.00 C ATOM 1571 O SER A 105 10.959 12.105 -16.249 1.00 0.00 O ATOM 1572 CB SER A 105 11.589 8.879 -17.278 1.00 0.00 C ATOM 1573 OG SER A 105 11.346 7.505 -17.018 1.00 0.00 O ATOM 0 H SER A 105 9.274 8.281 -17.059 1.00 0.00 H new ATOM 0 HA SER A 105 10.964 9.787 -15.435 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.470 9.083 -18.342 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.617 9.131 -17.018 1.00 0.00 H new ATOM 0 HG SER A 105 12.172 6.995 -17.154 1.00 0.00 H new ATOM 1579 N THR A 106 10.085 11.392 -18.198 1.00 0.00 N ATOM 1580 CA THR A 106 10.047 12.718 -18.796 1.00 0.00 C ATOM 1581 C THR A 106 9.110 13.660 -18.044 1.00 0.00 C ATOM 1582 O THR A 106 9.484 14.811 -17.835 1.00 0.00 O ATOM 1583 CB THR A 106 9.700 12.635 -20.291 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.639 11.736 -20.551 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.920 12.158 -21.080 1.00 0.00 C ATOM 0 H THR A 106 9.707 10.653 -18.791 1.00 0.00 H new ATOM 0 HA THR A 106 11.046 13.146 -18.711 1.00 0.00 H new ATOM 0 HB THR A 106 9.394 13.635 -20.597 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.686 11.435 -21.482 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.669 12.101 -22.139 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.742 12.860 -20.939 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.220 11.172 -20.725 1.00 0.00 H new ATOM 1593 N GLU A 107 7.930 13.209 -17.601 1.00 0.00 N ATOM 1594 CA GLU A 107 6.997 14.079 -16.893 1.00 0.00 C ATOM 1595 C GLU A 107 7.613 14.555 -15.576 1.00 0.00 C ATOM 1596 O GLU A 107 7.556 15.746 -15.262 1.00 0.00 O ATOM 1597 CB GLU A 107 5.664 13.355 -16.643 1.00 0.00 C ATOM 1598 CG GLU A 107 4.791 13.248 -17.904 1.00 0.00 C ATOM 1599 CD GLU A 107 4.216 14.609 -18.336 1.00 0.00 C ATOM 1600 OE1 GLU A 107 3.183 15.045 -17.775 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.775 15.250 -19.254 1.00 0.00 O ATOM 0 H GLU A 107 7.604 12.250 -17.722 1.00 0.00 H new ATOM 0 HA GLU A 107 6.795 14.952 -17.514 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.867 12.354 -16.263 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.109 13.884 -15.868 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.384 12.832 -18.719 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.972 12.553 -17.718 1.00 0.00 H new ATOM 1608 N LYS A 108 8.246 13.653 -14.820 1.00 0.00 N ATOM 1609 CA LYS A 108 8.888 14.014 -13.562 1.00 0.00 C ATOM 1610 C LYS A 108 10.070 14.940 -13.802 1.00 0.00 C ATOM 1611 O LYS A 108 10.209 15.929 -13.081 1.00 0.00 O ATOM 1612 CB LYS A 108 9.324 12.754 -12.811 1.00 0.00 C ATOM 1613 CG LYS A 108 8.118 12.030 -12.208 1.00 0.00 C ATOM 1614 CD LYS A 108 8.559 10.776 -11.446 1.00 0.00 C ATOM 1615 CE LYS A 108 7.365 10.235 -10.656 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.244 10.924 -9.353 1.00 0.00 N ATOM 0 H LYS A 108 8.325 12.665 -15.062 1.00 0.00 H new ATOM 0 HA LYS A 108 8.166 14.551 -12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.851 12.085 -13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.025 13.022 -12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.585 12.701 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.421 11.753 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.925 10.021 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.382 11.014 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.450 10.372 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.484 9.163 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.239 11.013 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.738 10.373 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.670 11.871 -9.420 1.00 0.00 H new ATOM 1630 N ILE A 109 10.905 14.664 -14.809 1.00 0.00 N ATOM 1631 CA ILE A 109 12.013 15.547 -15.160 1.00 0.00 C ATOM 1632 C ILE A 109 11.448 16.933 -15.497 1.00 0.00 C ATOM 1633 O ILE A 109 11.908 17.918 -14.927 1.00 0.00 O ATOM 1634 CB ILE A 109 12.874 14.911 -16.280 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.752 13.777 -15.696 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.796 15.947 -16.944 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.326 12.831 -16.761 1.00 0.00 C ATOM 0 H ILE A 109 10.831 13.832 -15.395 1.00 0.00 H new ATOM 0 HA ILE A 109 12.696 15.681 -14.321 1.00 0.00 H new ATOM 0 HB ILE A 109 12.189 14.516 -17.030 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.575 14.219 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.158 13.197 -14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.384 15.464 -17.724 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.193 16.742 -17.384 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.465 16.371 -16.195 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.930 12.063 -16.278 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.509 12.360 -17.308 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.947 13.398 -17.454 1.00 0.00 H new ATOM 1649 N LYS A 110 10.427 17.039 -16.352 1.00 0.00 N ATOM 1650 CA LYS A 110 9.856 18.336 -16.722 1.00 0.00 C ATOM 1651 C LYS A 110 9.315 19.074 -15.495 1.00 0.00 C ATOM 1652 O LYS A 110 9.509 20.285 -15.396 1.00 0.00 O ATOM 1653 CB LYS A 110 8.768 18.154 -17.794 1.00 0.00 C ATOM 1654 CG LYS A 110 9.396 17.827 -19.158 1.00 0.00 C ATOM 1655 CD LYS A 110 8.342 17.483 -20.218 1.00 0.00 C ATOM 1656 CE LYS A 110 9.056 17.212 -21.549 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.127 16.836 -22.644 1.00 0.00 N ATOM 0 H LYS A 110 9.979 16.241 -16.801 1.00 0.00 H new ATOM 0 HA LYS A 110 10.649 18.953 -17.144 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.091 17.353 -17.499 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.172 19.063 -17.872 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.985 18.679 -19.498 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.083 16.988 -19.047 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.769 16.608 -19.911 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.635 18.305 -20.329 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.613 18.102 -21.843 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.783 16.413 -21.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.668 16.666 -23.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.613 15.971 -22.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.448 17.607 -22.803 1.00 0.00 H new ATOM 1671 N ALA A 111 8.684 18.366 -14.552 1.00 0.00 N ATOM 1672 CA ALA A 111 8.187 18.963 -13.318 1.00 0.00 C ATOM 1673 C ALA A 111 9.335 19.500 -12.451 1.00 0.00 C ATOM 1674 O ALA A 111 9.258 20.631 -11.968 1.00 0.00 O ATOM 1675 CB ALA A 111 7.351 17.937 -12.542 1.00 0.00 C ATOM 0 H ALA A 111 8.506 17.364 -14.627 1.00 0.00 H new ATOM 0 HA ALA A 111 7.554 19.811 -13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.983 18.389 -11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.506 17.619 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.969 17.073 -12.300 1.00 0.00 H new ATOM 1681 N LYS A 112 10.396 18.708 -12.243 1.00 0.00 N ATOM 1682 CA LYS A 112 11.524 19.094 -11.386 1.00 0.00 C ATOM 1683 C LYS A 112 12.472 20.090 -12.061 1.00 0.00 C ATOM 1684 O LYS A 112 13.222 20.770 -11.362 1.00 0.00 O ATOM 1685 CB LYS A 112 12.271 17.845 -10.888 1.00 0.00 C ATOM 1686 CG LYS A 112 11.453 17.038 -9.860 1.00 0.00 C ATOM 1687 CD LYS A 112 11.066 17.774 -8.563 1.00 0.00 C ATOM 1688 CE LYS A 112 12.284 18.356 -7.825 1.00 0.00 C ATOM 1689 NZ LYS A 112 11.901 19.045 -6.566 1.00 0.00 N ATOM 0 H LYS A 112 10.496 17.784 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 112 11.110 19.617 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.511 17.206 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.217 18.147 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.539 16.695 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.024 16.149 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.371 18.580 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.541 17.085 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.987 17.554 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.801 19.058 -8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.753 19.421 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.251 19.827 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.431 18.370 -5.930 1.00 0.00 H new ATOM 1703 N TYR A 113 12.420 20.204 -13.390 1.00 0.00 N ATOM 1704 CA TYR A 113 13.196 21.134 -14.204 1.00 0.00 C ATOM 1705 C TYR A 113 14.718 21.070 -13.924 1.00 0.00 C ATOM 1706 O TYR A 113 15.335 22.103 -13.657 1.00 0.00 O ATOM 1707 CB TYR A 113 12.565 22.539 -14.074 1.00 0.00 C ATOM 1708 CG TYR A 113 12.798 23.477 -15.245 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.906 23.457 -16.335 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.858 24.404 -15.228 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.068 24.359 -17.400 1.00 0.00 C ATOM 1712 CE2 TYR A 113 14.037 25.298 -16.300 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.139 25.282 -17.391 1.00 0.00 C ATOM 1714 OH TYR A 113 13.311 26.163 -18.416 1.00 0.00 O ATOM 0 H TYR A 113 11.803 19.619 -13.953 1.00 0.00 H new ATOM 0 HA TYR A 113 13.142 20.840 -15.252 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.490 22.423 -13.934 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.955 23.010 -13.172 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.094 22.745 -16.352 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.537 24.429 -14.388 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.373 24.347 -18.227 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.861 25.996 -16.289 1.00 0.00 H new ATOM 0 HH TYR A 113 13.548 25.674 -19.232 1.00 0.00 H new ATOM 1724 N PRO A 114 15.372 19.885 -13.969 1.00 0.00 N ATOM 1725 CA PRO A 114 16.829 19.795 -13.910 1.00 0.00 C ATOM 1726 C PRO A 114 17.474 20.281 -15.225 1.00 0.00 C ATOM 1727 O PRO A 114 18.673 20.562 -15.256 1.00 0.00 O ATOM 1728 CB PRO A 114 17.124 18.314 -13.652 1.00 0.00 C ATOM 1729 CG PRO A 114 16.009 17.616 -14.416 1.00 0.00 C ATOM 1730 CD PRO A 114 14.820 18.567 -14.256 1.00 0.00 C ATOM 0 HA PRO A 114 17.246 20.431 -13.129 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.109 18.027 -14.020 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.099 18.075 -12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.270 17.471 -15.464 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.794 16.631 -14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.218 18.589 -15.164 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.167 18.237 -13.448 1.00 0.00 H new ATOM 1738 N ASP A 115 16.691 20.384 -16.306 1.00 0.00 N ATOM 1739 CA ASP A 115 17.073 20.879 -17.625 1.00 0.00 C ATOM 1740 C ASP A 115 15.829 21.509 -18.272 1.00 0.00 C ATOM 1741 O ASP A 115 14.715 21.306 -17.779 1.00 0.00 O ATOM 1742 CB ASP A 115 17.625 19.727 -18.485 1.00 0.00 C ATOM 1743 CG ASP A 115 18.063 20.202 -19.881 1.00 0.00 C ATOM 1744 OD1 ASP A 115 18.658 21.300 -19.984 1.00 0.00 O ATOM 1745 OD2 ASP A 115 17.787 19.492 -20.869 1.00 0.00 O ATOM 0 H ASP A 115 15.711 20.104 -16.276 1.00 0.00 H new ATOM 0 HA ASP A 115 17.861 21.628 -17.541 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.474 19.270 -17.976 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.862 18.955 -18.588 1.00 0.00 H new ATOM 1750 N TYR A 116 16.020 22.284 -19.344 1.00 0.00 N ATOM 1751 CA TYR A 116 15.003 23.110 -19.990 1.00 0.00 C ATOM 1752 C TYR A 116 13.750 22.315 -20.382 1.00 0.00 C ATOM 1753 O TYR A 116 12.635 22.711 -20.039 1.00 0.00 O ATOM 1754 CB TYR A 116 15.636 23.783 -21.218 1.00 0.00 C ATOM 1755 CG TYR A 116 14.682 24.640 -22.031 1.00 0.00 C ATOM 1756 CD1 TYR A 116 14.448 25.979 -21.663 1.00 0.00 C ATOM 1757 CD2 TYR A 116 14.026 24.098 -23.153 1.00 0.00 C ATOM 1758 CE1 TYR A 116 13.560 26.773 -22.410 1.00 0.00 C ATOM 1759 CE2 TYR A 116 13.135 24.884 -23.904 1.00 0.00 C ATOM 1760 CZ TYR A 116 12.896 26.229 -23.534 1.00 0.00 C ATOM 1761 OH TYR A 116 12.037 27.009 -24.250 1.00 0.00 O ATOM 0 H TYR A 116 16.928 22.354 -19.803 1.00 0.00 H new ATOM 0 HA TYR A 116 14.663 23.861 -19.277 1.00 0.00 H new ATOM 0 HB2 TYR A 116 16.469 24.403 -20.887 1.00 0.00 H new ATOM 0 HB3 TYR A 116 16.051 23.011 -21.865 1.00 0.00 H new ATOM 0 HD1 TYR A 116 14.952 26.397 -20.804 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.209 23.072 -23.438 1.00 0.00 H new ATOM 0 HE1 TYR A 116 13.385 27.800 -22.125 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.633 24.462 -24.762 1.00 0.00 H new ATOM 0 HH TYR A 116 11.663 26.489 -24.991 1.00 0.00 H new ATOM 1771 N GLU A 117 13.920 21.200 -21.095 1.00 0.00 N ATOM 1772 CA GLU A 117 12.849 20.311 -21.534 1.00 0.00 C ATOM 1773 C GLU A 117 13.516 18.994 -21.942 1.00 0.00 C ATOM 1774 O GLU A 117 14.713 18.970 -22.240 1.00 0.00 O ATOM 1775 CB GLU A 117 12.076 20.954 -22.707 1.00 0.00 C ATOM 1776 CG GLU A 117 10.825 20.180 -23.142 1.00 0.00 C ATOM 1777 CD GLU A 117 9.968 20.995 -24.128 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.202 20.921 -25.355 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.030 21.698 -23.685 1.00 0.00 O ATOM 0 H GLU A 117 14.842 20.882 -21.392 1.00 0.00 H new ATOM 0 HA GLU A 117 12.120 20.131 -20.744 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.782 21.964 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.747 21.046 -23.561 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.122 19.240 -23.608 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.230 19.927 -22.265 1.00 0.00 H new ATOM 1786 N VAL A 118 12.752 17.902 -21.980 1.00 0.00 N ATOM 1787 CA VAL A 118 13.248 16.586 -22.360 1.00 0.00 C ATOM 1788 C VAL A 118 12.250 15.872 -23.264 1.00 0.00 C ATOM 1789 O VAL A 118 11.122 16.335 -23.450 1.00 0.00 O ATOM 1790 CB VAL A 118 13.611 15.750 -21.115 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.838 16.332 -20.403 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.450 15.610 -20.120 1.00 0.00 C ATOM 0 H VAL A 118 11.760 17.910 -21.744 1.00 0.00 H new ATOM 0 HA VAL A 118 14.166 16.715 -22.933 1.00 0.00 H new ATOM 0 HB VAL A 118 13.841 14.750 -21.483 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.073 15.725 -19.529 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.688 16.332 -21.085 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.626 17.354 -20.088 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.771 15.011 -19.268 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.145 16.598 -19.775 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.608 15.121 -20.610 1.00 0.00 H new ATOM 1802 N THR A 119 12.667 14.739 -23.819 1.00 0.00 N ATOM 1803 CA THR A 119 11.918 13.962 -24.797 1.00 0.00 C ATOM 1804 C THR A 119 12.139 12.472 -24.512 1.00 0.00 C ATOM 1805 O THR A 119 13.052 12.110 -23.762 1.00 0.00 O ATOM 1806 CB THR A 119 12.390 14.363 -26.209 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.807 14.488 -26.262 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.782 15.686 -26.673 1.00 0.00 C ATOM 0 H THR A 119 13.570 14.322 -23.591 1.00 0.00 H new ATOM 0 HA THR A 119 10.848 14.160 -24.732 1.00 0.00 H new ATOM 0 HB THR A 119 12.054 13.565 -26.871 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.201 13.632 -26.529 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.146 15.923 -27.673 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.696 15.600 -26.694 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.070 16.480 -25.984 1.00 0.00 H new ATOM 1816 N TRP A 120 11.330 11.600 -25.115 1.00 0.00 N ATOM 1817 CA TRP A 120 11.554 10.160 -25.061 1.00 0.00 C ATOM 1818 C TRP A 120 11.160 9.506 -26.374 1.00 0.00 C ATOM 1819 O TRP A 120 10.532 10.134 -27.233 1.00 0.00 O ATOM 1820 CB TRP A 120 10.797 9.496 -23.894 1.00 0.00 C ATOM 1821 CG TRP A 120 9.304 9.388 -23.981 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.430 10.415 -23.951 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.481 8.182 -24.069 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.136 9.935 -23.935 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.106 8.560 -24.003 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.756 6.804 -24.187 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.065 7.618 -24.012 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.723 5.848 -24.171 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.380 6.251 -24.086 1.00 0.00 C ATOM 0 H TRP A 120 10.506 11.873 -25.651 1.00 0.00 H new ATOM 0 HA TRP A 120 12.620 10.011 -24.891 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.196 8.489 -23.770 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.037 10.048 -22.986 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.703 11.460 -23.941 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.306 10.525 -23.880 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.780 6.476 -24.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.035 7.940 -23.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 7.965 4.797 -24.224 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.592 5.512 -24.078 1.00 0.00 H new ATOM 1840 N ALA A 121 11.511 8.229 -26.500 1.00 0.00 N ATOM 1841 CA ALA A 121 11.060 7.350 -27.556 1.00 0.00 C ATOM 1842 C ALA A 121 10.961 5.948 -26.961 1.00 0.00 C ATOM 1843 O ALA A 121 11.772 5.573 -26.110 1.00 0.00 O ATOM 1844 CB ALA A 121 12.037 7.374 -28.739 1.00 0.00 C ATOM 0 H ALA A 121 12.140 7.769 -25.842 1.00 0.00 H new ATOM 0 HA ALA A 121 10.092 7.673 -27.938 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.678 6.706 -29.521 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.107 8.388 -29.132 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.021 7.045 -28.405 1.00 0.00 H new ATOM 1850 N ASN A 122 9.959 5.180 -27.389 1.00 0.00 N ATOM 1851 CA ASN A 122 9.648 3.854 -26.848 1.00 0.00 C ATOM 1852 C ASN A 122 10.500 2.756 -27.513 1.00 0.00 C ATOM 1853 O ASN A 122 10.026 1.649 -27.772 1.00 0.00 O ATOM 1854 CB ASN A 122 8.138 3.599 -26.992 1.00 0.00 C ATOM 1855 CG ASN A 122 7.684 2.361 -26.216 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.167 2.078 -25.122 1.00 0.00 O ATOM 1857 ND2 ASN A 122 6.733 1.607 -26.744 1.00 0.00 N ATOM 0 H ASN A 122 9.327 5.467 -28.137 1.00 0.00 H new ATOM 0 HA ASN A 122 9.904 3.823 -25.789 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.589 4.470 -26.636 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.891 3.475 -28.046 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.396 0.785 -26.242 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.337 1.848 -27.652 1.00 0.00 H new ATOM 1864 N ASP A 123 11.747 3.075 -27.862 1.00 0.00 N ATOM 1865 CA ASP A 123 12.719 2.177 -28.488 1.00 0.00 C ATOM 1866 C ASP A 123 14.122 2.680 -28.115 1.00 0.00 C ATOM 1867 O ASP A 123 14.240 3.667 -27.385 1.00 0.00 O ATOM 1868 CB ASP A 123 12.521 2.141 -30.015 1.00 0.00 C ATOM 1869 CG ASP A 123 13.043 0.828 -30.623 1.00 0.00 C ATOM 1870 OD1 ASP A 123 14.257 0.722 -30.903 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.240 -0.109 -30.828 1.00 0.00 O ATOM 0 H ASP A 123 12.125 4.010 -27.709 1.00 0.00 H new ATOM 0 HA ASP A 123 12.585 1.156 -28.131 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.462 2.255 -30.248 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.040 2.985 -30.470 1.00 0.00 H new ATOM 1876 N GLY A 124 15.183 2.028 -28.583 1.00 0.00 N ATOM 1877 CA GLY A 124 16.564 2.393 -28.295 1.00 0.00 C ATOM 1878 C GLY A 124 17.421 1.155 -28.053 1.00 0.00 C ATOM 1879 O GLY A 124 17.104 0.063 -28.535 1.00 0.00 O ATOM 0 H GLY A 124 15.102 1.211 -29.188 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.973 2.965 -29.128 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.597 3.039 -27.418 1.00 0.00 H new ATOM 1883 N TYR A 125 18.502 1.335 -27.294 1.00 0.00 N ATOM 1884 CA TYR A 125 19.436 0.301 -26.877 1.00 0.00 C ATOM 1885 C TYR A 125 20.004 0.702 -25.515 1.00 0.00 C ATOM 1886 O TYR A 125 20.656 -0.140 -24.867 1.00 0.00 O ATOM 1887 CB TYR A 125 20.551 0.129 -27.922 1.00 0.00 C ATOM 1888 CG TYR A 125 21.432 1.350 -28.138 1.00 0.00 C ATOM 1889 CD1 TYR A 125 21.043 2.358 -29.042 1.00 0.00 C ATOM 1890 CD2 TYR A 125 22.647 1.474 -27.437 1.00 0.00 C ATOM 1891 CE1 TYR A 125 21.855 3.489 -29.240 1.00 0.00 C ATOM 1892 CE2 TYR A 125 23.464 2.603 -27.624 1.00 0.00 C ATOM 1893 CZ TYR A 125 23.072 3.618 -28.527 1.00 0.00 C ATOM 1894 OH TYR A 125 23.875 4.704 -28.707 1.00 0.00 O ATOM 1895 OXT TYR A 125 19.817 1.866 -25.096 1.00 0.00 O ATOM 0 H TYR A 125 18.759 2.255 -26.937 1.00 0.00 H new ATOM 0 HA TYR A 125 18.929 -0.660 -26.793 1.00 0.00 H new ATOM 0 HB2 TYR A 125 21.183 -0.706 -27.621 1.00 0.00 H new ATOM 0 HB3 TYR A 125 20.095 -0.143 -28.874 1.00 0.00 H new ATOM 0 HD1 TYR A 125 20.115 2.262 -29.586 1.00 0.00 H new ATOM 0 HD2 TYR A 125 22.953 0.697 -26.752 1.00 0.00 H new ATOM 0 HE1 TYR A 125 21.551 4.258 -29.935 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.391 2.695 -27.078 1.00 0.00 H new ATOM 0 HH TYR A 125 24.667 4.624 -28.135 1.00 0.00 H new TER 1905 TYR A 125