USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot -158:sc= 0.511 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.59 K(o=-2.1,f=-16!) USER MOD Set 2.1: A 17 SER OG : rot -130:sc= -1.64! USER MOD Set 2.2: A 42 HIS : no HE2:sc= 0.651 K(o=-0.99,f=-7.1!) USER MOD Set 3.1: A 24 CYS SG : rot -147:sc= 0.494 USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.295 K(o=0.2,f=-0.46) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.17 (180deg=0.561) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00702 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 90:sc= -6.13! USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= 1.23 (180deg=0.884) USER MOD Single : A 29 SER OG : rot -170:sc= -1.02 USER MOD Single : A 33 HIS : no HE2:sc= 0.306 K(o=0.31,f=-5.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 29:sc= -1.83! USER MOD Single : A 46 CYS SG : rot -131:sc= 0.835 USER MOD Single : A 49 SER OG : rot 140:sc= 0.257 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=-0.15) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 61 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.263 USER MOD Single : A 84 MET CE :methyl 164:sc= -0.0183 (180deg=-0.29) USER MOD Single : A 88 SER OG : rot -72:sc= 1.23 USER MOD Single : A 91 MET CE :methyl 174:sc= -0.714 (180deg=-0.804) USER MOD Single : A 92 THR OG1 : rot 104:sc= 1.33 USER MOD Single : A 94 HIS : no HD1:sc= -1.51! K(o=-1.5!,f=0.38) USER MOD Single : A 101 TYR OH : rot -167:sc= 0.00739 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.704 -0.845 -2.658 1.00 0.00 N ATOM 2 CA MET A 1 3.771 -1.114 -1.540 1.00 0.00 C ATOM 3 C MET A 1 2.867 -2.285 -1.888 1.00 0.00 C ATOM 4 O MET A 1 2.921 -2.807 -3.000 1.00 0.00 O ATOM 5 CB MET A 1 2.923 0.128 -1.223 1.00 0.00 C ATOM 6 CG MET A 1 1.928 0.507 -2.315 1.00 0.00 C ATOM 7 SD MET A 1 2.721 0.943 -3.875 1.00 0.00 S ATOM 8 CE MET A 1 1.296 1.361 -4.875 1.00 0.00 C ATOM 0 H1 MET A 1 5.635 -0.581 -2.277 1.00 0.00 H new ATOM 0 H2 MET A 1 4.799 -1.699 -3.244 1.00 0.00 H new ATOM 0 H3 MET A 1 4.334 -0.066 -3.239 1.00 0.00 H new ATOM 0 HA MET A 1 4.358 -1.363 -0.656 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.377 -0.047 -0.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.589 0.972 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.246 -0.327 -2.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.325 1.348 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.624 1.653 -5.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.637 0.496 -4.948 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.758 2.189 -4.414 1.00 0.00 H new ATOM 20 N THR A 2 2.042 -2.697 -0.939 1.00 0.00 N ATOM 21 CA THR A 2 1.126 -3.800 -1.156 1.00 0.00 C ATOM 22 C THR A 2 -0.001 -3.747 -0.126 1.00 0.00 C ATOM 23 O THR A 2 -0.063 -2.812 0.677 1.00 0.00 O ATOM 24 CB THR A 2 1.867 -5.158 -1.085 1.00 0.00 C ATOM 25 OG1 THR A 2 1.017 -6.212 -1.549 1.00 0.00 O ATOM 26 CG2 THR A 2 2.331 -5.464 0.335 1.00 0.00 C ATOM 0 H THR A 2 1.990 -2.281 -0.009 1.00 0.00 H new ATOM 0 HA THR A 2 0.698 -3.706 -2.154 1.00 0.00 H new ATOM 0 HB THR A 2 2.745 -5.089 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.497 -7.065 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.847 -6.424 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.010 -4.681 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.467 -5.506 0.999 1.00 0.00 H new ATOM 34 N MET A 3 -0.884 -4.737 -0.152 1.00 0.00 N ATOM 35 CA MET A 3 -2.018 -4.775 0.763 1.00 0.00 C ATOM 36 C MET A 3 -1.604 -5.342 2.116 1.00 0.00 C ATOM 37 O MET A 3 -2.017 -4.836 3.159 1.00 0.00 O ATOM 38 CB MET A 3 -3.167 -5.593 0.168 1.00 0.00 C ATOM 39 CG MET A 3 -3.768 -4.968 -1.081 1.00 0.00 C ATOM 40 SD MET A 3 -5.102 -5.955 -1.786 1.00 0.00 S ATOM 41 CE MET A 3 -5.569 -4.930 -3.179 1.00 0.00 C ATOM 0 H MET A 3 -0.837 -5.525 -0.797 1.00 0.00 H new ATOM 0 HA MET A 3 -2.365 -3.753 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.805 -6.593 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.948 -5.709 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.146 -3.975 -0.838 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.985 -4.837 -1.828 1.00 0.00 H new ATOM 0 HE1 MET A 3 -6.387 -5.404 -3.721 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.890 -3.952 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.714 -4.809 -3.845 1.00 0.00 H new ATOM 51 N GLY A 4 -0.792 -6.392 2.103 1.00 0.00 N ATOM 52 CA GLY A 4 -0.282 -6.935 3.346 1.00 0.00 C ATOM 53 C GLY A 4 0.038 -8.412 3.264 1.00 0.00 C ATOM 54 O GLY A 4 0.700 -8.862 2.331 1.00 0.00 O ATOM 0 H GLY A 4 -0.480 -6.874 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.618 -6.390 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.016 -6.772 4.135 1.00 0.00 H new ATOM 58 N CYS A 5 -0.425 -9.157 4.255 1.00 0.00 N ATOM 59 CA CYS A 5 -0.200 -10.595 4.328 1.00 0.00 C ATOM 60 C CYS A 5 -1.176 -11.199 5.331 1.00 0.00 C ATOM 61 O CYS A 5 -1.902 -10.459 5.992 1.00 0.00 O ATOM 62 CB CYS A 5 1.242 -10.890 4.748 1.00 0.00 C ATOM 63 SG CYS A 5 1.663 -10.302 6.421 1.00 0.00 S ATOM 0 H CYS A 5 -0.968 -8.783 5.033 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.364 -11.038 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.411 -11.966 4.699 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.920 -10.428 4.030 1.00 0.00 H new ATOM 68 N ARG A 6 -1.189 -12.523 5.462 1.00 0.00 N ATOM 69 CA ARG A 6 -2.122 -13.191 6.373 1.00 0.00 C ATOM 70 C ARG A 6 -1.931 -12.722 7.819 1.00 0.00 C ATOM 71 O ARG A 6 -2.883 -12.697 8.596 1.00 0.00 O ATOM 72 CB ARG A 6 -1.981 -14.715 6.284 1.00 0.00 C ATOM 73 CG ARG A 6 -0.591 -15.231 6.617 1.00 0.00 C ATOM 74 CD ARG A 6 -0.502 -16.739 6.451 1.00 0.00 C ATOM 75 NE ARG A 6 -0.875 -17.165 5.102 1.00 0.00 N ATOM 76 CZ ARG A 6 -0.646 -18.379 4.609 1.00 0.00 C ATOM 77 NH1 ARG A 6 -0.001 -19.287 5.331 1.00 0.00 N ATOM 78 NH2 ARG A 6 -1.058 -18.676 3.385 1.00 0.00 N ATOM 0 H ARG A 6 -0.569 -13.154 4.953 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.130 -12.917 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.700 -15.176 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.244 -15.035 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.142 -14.749 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.338 -14.961 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.514 -17.068 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.155 -17.223 7.177 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.341 -16.486 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.323 -19.056 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.171 -20.216 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.547 -17.976 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.886 -19.605 3.000 1.00 0.00 H new ATOM 92 N HIS A 7 -0.703 -12.328 8.165 1.00 0.00 N ATOM 93 CA HIS A 7 -0.402 -11.816 9.507 1.00 0.00 C ATOM 94 C HIS A 7 -1.215 -10.557 9.815 1.00 0.00 C ATOM 95 O HIS A 7 -1.481 -10.246 10.977 1.00 0.00 O ATOM 96 CB HIS A 7 1.090 -11.487 9.651 1.00 0.00 C ATOM 97 CG HIS A 7 2.005 -12.670 9.570 1.00 0.00 C ATOM 98 ND1 HIS A 7 3.066 -12.693 8.700 1.00 0.00 N ATOM 99 CD2 HIS A 7 2.000 -13.819 10.288 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.681 -13.843 8.903 1.00 0.00 C ATOM 101 NE2 HIS A 7 3.072 -14.561 9.859 1.00 0.00 N ATOM 0 H HIS A 7 0.099 -12.353 7.536 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.671 -12.601 10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.368 -10.777 8.872 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.247 -10.989 10.608 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.289 -14.098 11.052 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.562 -14.165 8.368 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.352 -15.480 10.201 1.00 0.00 H new ATOM 109 N VAL A 8 -1.603 -9.837 8.766 1.00 0.00 N ATOM 110 CA VAL A 8 -2.294 -8.560 8.913 1.00 0.00 C ATOM 111 C VAL A 8 -3.670 -8.753 9.558 1.00 0.00 C ATOM 112 O VAL A 8 -4.192 -7.857 10.213 1.00 0.00 O ATOM 113 CB VAL A 8 -2.424 -7.816 7.554 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.769 -8.062 6.889 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.189 -6.328 7.735 1.00 0.00 C ATOM 0 H VAL A 8 -1.449 -10.119 7.798 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.689 -7.938 9.572 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.657 -8.220 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.812 -7.522 5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.893 -9.129 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.568 -7.712 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.284 -5.825 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.926 -5.925 8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.188 -6.164 8.133 1.00 0.00 H new ATOM 125 N ALA A 9 -4.249 -9.934 9.373 1.00 0.00 N ATOM 126 CA ALA A 9 -5.576 -10.234 9.902 1.00 0.00 C ATOM 127 C ALA A 9 -5.559 -10.393 11.425 1.00 0.00 C ATOM 128 O ALA A 9 -6.586 -10.688 12.039 1.00 0.00 O ATOM 129 CB ALA A 9 -6.124 -11.492 9.248 1.00 0.00 C ATOM 0 H ALA A 9 -3.819 -10.703 8.859 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.226 -9.391 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.114 -11.708 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.193 -11.341 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.458 -12.330 9.455 1.00 0.00 H new ATOM 135 N GLY A 10 -4.397 -10.195 12.033 1.00 0.00 N ATOM 136 CA GLY A 10 -4.283 -10.326 13.472 1.00 0.00 C ATOM 137 C GLY A 10 -3.806 -9.050 14.137 1.00 0.00 C ATOM 138 O GLY A 10 -3.450 -9.051 15.317 1.00 0.00 O ATOM 0 H GLY A 10 -3.531 -9.946 11.555 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.252 -10.607 13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.590 -11.134 13.706 1.00 0.00 H new ATOM 142 N ILE A 11 -3.791 -7.958 13.385 1.00 0.00 N ATOM 143 CA ILE A 11 -3.327 -6.685 13.920 1.00 0.00 C ATOM 144 C ILE A 11 -4.498 -5.792 14.308 1.00 0.00 C ATOM 145 O ILE A 11 -5.590 -5.897 13.750 1.00 0.00 O ATOM 146 CB ILE A 11 -2.427 -5.927 12.922 1.00 0.00 C ATOM 147 CG1 ILE A 11 -3.223 -5.518 11.681 1.00 0.00 C ATOM 148 CG2 ILE A 11 -1.235 -6.789 12.537 1.00 0.00 C ATOM 149 CD1 ILE A 11 -2.451 -4.651 10.710 1.00 0.00 C ATOM 0 H ILE A 11 -4.092 -7.927 12.411 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.739 -6.923 14.806 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.060 -5.019 13.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.556 -6.418 11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.118 -4.983 11.997 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.606 -6.246 11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.657 -7.030 13.429 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.587 -7.710 12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.085 -4.405 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.141 -3.733 11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.570 -5.190 10.362 1.00 0.00 H new ATOM 161 N ARG A 12 -4.264 -4.932 15.285 1.00 0.00 N ATOM 162 CA ARG A 12 -5.256 -3.956 15.709 1.00 0.00 C ATOM 163 C ARG A 12 -4.611 -2.586 15.862 1.00 0.00 C ATOM 164 O ARG A 12 -3.388 -2.458 15.757 1.00 0.00 O ATOM 165 CB ARG A 12 -5.921 -4.378 17.025 1.00 0.00 C ATOM 166 CG ARG A 12 -4.953 -4.892 18.081 1.00 0.00 C ATOM 167 CD ARG A 12 -4.842 -6.408 18.036 1.00 0.00 C ATOM 168 NE ARG A 12 -6.123 -7.045 18.334 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.458 -8.283 17.969 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.617 -9.030 17.263 1.00 0.00 N ATOM 171 NH2 ARG A 12 -7.647 -8.769 18.299 1.00 0.00 N ATOM 0 H ARG A 12 -3.387 -4.890 15.804 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.029 -3.903 14.942 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.466 -3.526 17.432 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.656 -5.155 16.814 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.970 -4.448 17.923 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.289 -4.579 19.069 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.499 -6.720 17.049 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.092 -6.741 18.754 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.810 -6.504 18.859 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.706 -8.658 16.995 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.882 -9.976 16.988 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.302 -8.196 18.831 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.906 -9.716 18.021 1.00 0.00 H new ATOM 185 N THR A 13 -5.427 -1.569 16.100 1.00 0.00 N ATOM 186 CA THR A 13 -4.926 -0.229 16.351 1.00 0.00 C ATOM 187 C THR A 13 -4.610 -0.082 17.834 1.00 0.00 C ATOM 188 O THR A 13 -5.496 0.144 18.658 1.00 0.00 O ATOM 189 CB THR A 13 -5.944 0.841 15.907 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.343 0.585 14.551 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.346 2.238 16.006 1.00 0.00 C ATOM 0 H THR A 13 -6.444 -1.649 16.124 1.00 0.00 H new ATOM 0 HA THR A 13 -4.018 -0.078 15.767 1.00 0.00 H new ATOM 0 HB THR A 13 -6.810 0.790 16.567 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.991 1.263 14.267 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.085 2.973 15.687 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.057 2.438 17.038 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.468 2.304 15.364 1.00 0.00 H new ATOM 199 N VAL A 14 -3.340 -0.241 18.164 1.00 0.00 N ATOM 200 CA VAL A 14 -2.916 -0.349 19.550 1.00 0.00 C ATOM 201 C VAL A 14 -2.522 0.999 20.138 1.00 0.00 C ATOM 202 O VAL A 14 -2.534 2.022 19.454 1.00 0.00 O ATOM 203 CB VAL A 14 -1.733 -1.324 19.680 1.00 0.00 C ATOM 204 CG1 VAL A 14 -2.160 -2.729 19.285 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.567 -0.863 18.822 1.00 0.00 C ATOM 0 H VAL A 14 -2.580 -0.299 17.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.771 -0.727 20.111 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.410 -1.339 20.721 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.313 -3.408 19.382 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.967 -3.061 19.938 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.507 -2.727 18.252 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.261 -1.564 18.926 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.878 -0.821 17.778 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.246 0.127 19.145 1.00 0.00 H new ATOM 215 N THR A 15 -2.191 0.987 21.417 1.00 0.00 N ATOM 216 CA THR A 15 -1.771 2.185 22.114 1.00 0.00 C ATOM 217 C THR A 15 -0.271 2.126 22.398 1.00 0.00 C ATOM 218 O THR A 15 0.219 1.144 22.958 1.00 0.00 O ATOM 219 CB THR A 15 -2.548 2.341 23.435 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.953 2.185 23.187 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.292 3.700 24.067 1.00 0.00 C ATOM 0 H THR A 15 -2.206 0.149 21.998 1.00 0.00 H new ATOM 0 HA THR A 15 -1.982 3.047 21.481 1.00 0.00 H new ATOM 0 HB THR A 15 -2.204 1.572 24.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.446 2.283 24.028 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.854 3.780 24.998 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.228 3.810 24.275 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.611 4.486 23.382 1.00 0.00 H new ATOM 229 N PRO A 16 0.477 3.161 21.989 1.00 0.00 N ATOM 230 CA PRO A 16 1.930 3.223 22.192 1.00 0.00 C ATOM 231 C PRO A 16 2.319 3.159 23.668 1.00 0.00 C ATOM 232 O PRO A 16 1.701 3.811 24.513 1.00 0.00 O ATOM 233 CB PRO A 16 2.322 4.580 21.599 1.00 0.00 C ATOM 234 CG PRO A 16 1.209 4.937 20.675 1.00 0.00 C ATOM 235 CD PRO A 16 -0.031 4.348 21.282 1.00 0.00 C ATOM 0 HA PRO A 16 2.436 2.377 21.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.442 5.331 22.380 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.271 4.518 21.067 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.118 6.018 20.572 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.385 4.535 19.677 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.517 5.046 21.963 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.765 4.081 20.522 1.00 0.00 H new ATOM 243 N SER A 17 3.328 2.352 23.972 1.00 0.00 N ATOM 244 CA SER A 17 3.833 2.224 25.333 1.00 0.00 C ATOM 245 C SER A 17 4.602 3.474 25.761 1.00 0.00 C ATOM 246 O SER A 17 4.596 3.849 26.933 1.00 0.00 O ATOM 247 CB SER A 17 4.742 0.998 25.438 1.00 0.00 C ATOM 248 OG SER A 17 4.070 -0.170 25.000 1.00 0.00 O ATOM 0 H SER A 17 3.816 1.773 23.289 1.00 0.00 H new ATOM 0 HA SER A 17 2.979 2.105 25.999 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.639 1.153 24.838 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.068 0.869 26.470 1.00 0.00 H new ATOM 0 HG SER A 17 4.171 -0.877 25.671 1.00 0.00 H new ATOM 254 N ALA A 18 5.252 4.122 24.806 1.00 0.00 N ATOM 255 CA ALA A 18 6.080 5.279 25.101 1.00 0.00 C ATOM 256 C ALA A 18 5.985 6.307 23.983 1.00 0.00 C ATOM 257 O ALA A 18 5.384 6.044 22.941 1.00 0.00 O ATOM 258 CB ALA A 18 7.527 4.850 25.309 1.00 0.00 C ATOM 0 H ALA A 18 5.221 3.865 23.819 1.00 0.00 H new ATOM 0 HA ALA A 18 5.716 5.740 26.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.138 5.725 25.529 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.583 4.150 26.142 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.897 4.368 24.404 1.00 0.00 H new ATOM 264 N LEU A 19 6.562 7.478 24.211 1.00 0.00 N ATOM 265 CA LEU A 19 6.597 8.526 23.198 1.00 0.00 C ATOM 266 C LEU A 19 7.713 8.247 22.200 1.00 0.00 C ATOM 267 O LEU A 19 7.529 8.367 20.993 1.00 0.00 O ATOM 268 CB LEU A 19 6.803 9.908 23.836 1.00 0.00 C ATOM 269 CG LEU A 19 5.565 10.541 24.491 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.108 9.748 25.705 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.857 11.980 24.883 1.00 0.00 C ATOM 0 H LEU A 19 7.014 7.728 25.091 1.00 0.00 H new ATOM 0 HA LEU A 19 5.638 8.529 22.680 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.585 9.825 24.590 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.171 10.589 23.069 1.00 0.00 H new ATOM 0 HG LEU A 19 4.757 10.525 23.760 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.231 10.225 26.142 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.855 8.732 25.402 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.910 9.718 26.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.973 12.418 25.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.686 12.003 25.590 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.122 12.553 23.994 1.00 0.00 H new ATOM 283 N GLY A 20 8.869 7.873 22.721 1.00 0.00 N ATOM 284 CA GLY A 20 9.994 7.539 21.874 1.00 0.00 C ATOM 285 C GLY A 20 10.401 6.090 22.029 1.00 0.00 C ATOM 286 O GLY A 20 9.553 5.219 22.218 1.00 0.00 O ATOM 0 H GLY A 20 9.050 7.794 23.722 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.737 7.735 20.833 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.839 8.182 22.120 1.00 0.00 H new ATOM 290 N CYS A 21 11.698 5.825 21.956 1.00 0.00 N ATOM 291 CA CYS A 21 12.200 4.469 22.111 1.00 0.00 C ATOM 292 C CYS A 21 12.166 4.038 23.565 1.00 0.00 C ATOM 293 O CYS A 21 12.959 4.514 24.376 1.00 0.00 O ATOM 294 CB CYS A 21 13.624 4.345 21.577 1.00 0.00 C ATOM 295 SG CYS A 21 13.739 4.350 19.780 1.00 0.00 S ATOM 0 H CYS A 21 12.418 6.528 21.791 1.00 0.00 H new ATOM 0 HA CYS A 21 11.548 3.815 21.532 1.00 0.00 H new ATOM 0 HB2 CYS A 21 14.221 5.168 21.971 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.063 3.422 21.956 1.00 0.00 H new ATOM 0 HG CYS A 21 13.876 5.572 19.357 1.00 0.00 H new ATOM 301 N GLU A 22 11.252 3.125 23.870 1.00 0.00 N ATOM 302 CA GLU A 22 11.114 2.548 25.205 1.00 0.00 C ATOM 303 C GLU A 22 12.467 2.091 25.762 1.00 0.00 C ATOM 304 O GLU A 22 12.708 2.145 26.965 1.00 0.00 O ATOM 305 CB GLU A 22 10.135 1.371 25.128 1.00 0.00 C ATOM 306 CG GLU A 22 10.048 0.530 26.388 1.00 0.00 C ATOM 307 CD GLU A 22 8.977 -0.538 26.290 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.100 -1.444 25.432 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.999 -0.467 27.059 1.00 0.00 O ATOM 0 H GLU A 22 10.580 2.760 23.195 1.00 0.00 H new ATOM 0 HA GLU A 22 10.731 3.308 25.886 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.142 1.757 24.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.428 0.727 24.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.013 0.059 26.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.838 1.176 27.240 1.00 0.00 H new ATOM 316 N GLU A 23 13.351 1.670 24.869 1.00 0.00 N ATOM 317 CA GLU A 23 14.670 1.200 25.259 1.00 0.00 C ATOM 318 C GLU A 23 15.601 2.379 25.570 1.00 0.00 C ATOM 319 O GLU A 23 16.034 2.551 26.703 1.00 0.00 O ATOM 320 CB GLU A 23 15.257 0.335 24.141 1.00 0.00 C ATOM 321 CG GLU A 23 16.476 -0.465 24.559 1.00 0.00 C ATOM 322 CD GLU A 23 16.183 -1.423 25.696 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.506 -2.441 25.457 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.636 -1.162 26.825 1.00 0.00 O ATOM 0 H GLU A 23 13.176 1.645 23.864 1.00 0.00 H new ATOM 0 HA GLU A 23 14.576 0.601 26.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.489 -0.351 23.785 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.526 0.976 23.302 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.848 -1.027 23.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.269 0.219 24.861 1.00 0.00 H new ATOM 331 N CYS A 24 15.885 3.196 24.558 1.00 0.00 N ATOM 332 CA CYS A 24 16.798 4.335 24.694 1.00 0.00 C ATOM 333 C CYS A 24 16.382 5.300 25.810 1.00 0.00 C ATOM 334 O CYS A 24 17.235 5.947 26.422 1.00 0.00 O ATOM 335 CB CYS A 24 16.883 5.094 23.370 1.00 0.00 C ATOM 336 SG CYS A 24 17.483 4.103 21.981 1.00 0.00 S ATOM 0 H CYS A 24 15.492 3.090 23.623 1.00 0.00 H new ATOM 0 HA CYS A 24 17.773 3.929 24.963 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.895 5.483 23.124 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.541 5.953 23.499 1.00 0.00 H new ATOM 0 HG CYS A 24 18.161 4.859 21.169 1.00 0.00 H new ATOM 342 N LEU A 25 15.080 5.392 26.078 1.00 0.00 N ATOM 343 CA LEU A 25 14.563 6.322 27.085 1.00 0.00 C ATOM 344 C LEU A 25 15.044 5.973 28.492 1.00 0.00 C ATOM 345 O LEU A 25 14.963 6.801 29.399 1.00 0.00 O ATOM 346 CB LEU A 25 13.032 6.354 27.062 1.00 0.00 C ATOM 347 CG LEU A 25 12.410 7.033 25.841 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.896 6.912 25.879 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.824 8.495 25.778 1.00 0.00 C ATOM 0 H LEU A 25 14.363 4.835 25.613 1.00 0.00 H new ATOM 0 HA LEU A 25 14.951 7.308 26.829 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.663 5.330 27.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.682 6.865 27.959 1.00 0.00 H new ATOM 0 HG LEU A 25 12.774 6.531 24.944 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.470 7.401 25.003 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.615 5.859 25.880 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.515 7.390 26.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.373 8.964 24.903 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.487 9.008 26.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.910 8.563 25.707 1.00 0.00 H new ATOM 361 N LYS A 26 15.548 4.758 28.672 1.00 0.00 N ATOM 362 CA LYS A 26 16.030 4.322 29.977 1.00 0.00 C ATOM 363 C LYS A 26 17.294 5.090 30.366 1.00 0.00 C ATOM 364 O LYS A 26 17.609 5.229 31.546 1.00 0.00 O ATOM 365 CB LYS A 26 16.311 2.814 29.964 1.00 0.00 C ATOM 366 CG LYS A 26 17.664 2.441 29.371 1.00 0.00 C ATOM 367 CD LYS A 26 17.693 1.005 28.875 1.00 0.00 C ATOM 368 CE LYS A 26 17.229 0.024 29.936 1.00 0.00 C ATOM 369 NZ LYS A 26 17.173 -1.361 29.406 1.00 0.00 N ATOM 0 H LYS A 26 15.633 4.059 27.934 1.00 0.00 H new ATOM 0 HA LYS A 26 15.256 4.529 30.717 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.257 2.436 30.985 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.527 2.313 29.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.896 3.114 28.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.440 2.580 30.123 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.057 0.913 27.995 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.706 0.750 28.564 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.906 0.061 30.789 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.243 0.317 30.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.250 -1.782 29.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.301 -1.343 28.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.929 -1.929 29.839 1.00 0.00 H new ATOM 383 N ILE A 27 18.013 5.584 29.362 1.00 0.00 N ATOM 384 CA ILE A 27 19.266 6.293 29.589 1.00 0.00 C ATOM 385 C ILE A 27 19.270 7.653 28.892 1.00 0.00 C ATOM 386 O ILE A 27 20.280 8.359 28.888 1.00 0.00 O ATOM 387 CB ILE A 27 20.474 5.459 29.106 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.243 4.958 27.673 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.727 4.292 30.051 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.320 4.018 27.171 1.00 0.00 C ATOM 0 H ILE A 27 17.747 5.505 28.380 1.00 0.00 H new ATOM 0 HA ILE A 27 19.354 6.451 30.664 1.00 0.00 H new ATOM 0 HB ILE A 27 21.358 6.097 29.106 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.280 4.449 27.627 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.182 5.816 27.004 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.581 3.715 29.696 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.936 4.672 31.051 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.845 3.652 30.083 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.086 3.708 26.153 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.283 4.529 27.183 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.367 3.140 27.816 1.00 0.00 H new ATOM 402 N GLY A 28 18.132 8.012 28.304 1.00 0.00 N ATOM 403 CA GLY A 28 18.002 9.296 27.633 1.00 0.00 C ATOM 404 C GLY A 28 18.844 9.391 26.374 1.00 0.00 C ATOM 405 O GLY A 28 19.251 10.480 25.971 1.00 0.00 O ATOM 0 H GLY A 28 17.292 7.433 28.280 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.956 9.463 27.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.293 10.091 28.320 1.00 0.00 H new ATOM 409 N SER A 29 19.097 8.250 25.751 1.00 0.00 N ATOM 410 CA SER A 29 19.929 8.198 24.559 1.00 0.00 C ATOM 411 C SER A 29 19.100 8.391 23.290 1.00 0.00 C ATOM 412 O SER A 29 17.885 8.170 23.291 1.00 0.00 O ATOM 413 CB SER A 29 20.683 6.869 24.516 1.00 0.00 C ATOM 414 OG SER A 29 21.602 6.783 25.589 1.00 0.00 O ATOM 0 H SER A 29 18.737 7.345 26.053 1.00 0.00 H new ATOM 0 HA SER A 29 20.648 9.016 24.604 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.976 6.041 24.569 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.213 6.776 23.568 1.00 0.00 H new ATOM 0 HG SER A 29 22.184 6.005 25.460 1.00 0.00 H new ATOM 420 N PRO A 30 19.748 8.830 22.197 1.00 0.00 N ATOM 421 CA PRO A 30 19.085 9.070 20.912 1.00 0.00 C ATOM 422 C PRO A 30 18.628 7.785 20.224 1.00 0.00 C ATOM 423 O PRO A 30 18.902 6.674 20.690 1.00 0.00 O ATOM 424 CB PRO A 30 20.163 9.762 20.062 1.00 0.00 C ATOM 425 CG PRO A 30 21.232 10.160 21.020 1.00 0.00 C ATOM 426 CD PRO A 30 21.181 9.153 22.127 1.00 0.00 C ATOM 0 HA PRO A 30 18.178 9.659 21.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.552 9.089 19.298 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.757 10.631 19.545 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.209 10.162 20.537 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.062 11.168 21.399 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.785 8.273 21.904 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.551 9.564 23.067 1.00 0.00 H new ATOM 434 N TRP A 31 17.930 7.951 19.108 1.00 0.00 N ATOM 435 CA TRP A 31 17.459 6.827 18.318 1.00 0.00 C ATOM 436 C TRP A 31 17.365 7.217 16.851 1.00 0.00 C ATOM 437 O TRP A 31 17.322 8.403 16.519 1.00 0.00 O ATOM 438 CB TRP A 31 16.101 6.332 18.823 1.00 0.00 C ATOM 439 CG TRP A 31 15.052 7.402 18.945 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.343 7.989 17.933 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.576 7.995 20.160 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.469 8.916 18.446 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.592 8.937 19.810 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.892 7.822 21.511 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.921 9.702 20.760 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.225 8.581 22.453 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.249 9.510 22.073 1.00 0.00 C ATOM 0 H TRP A 31 17.677 8.864 18.729 1.00 0.00 H new ATOM 0 HA TRP A 31 18.177 6.014 18.422 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.736 5.559 18.147 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.239 5.864 19.798 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.454 7.757 16.884 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.831 9.495 17.900 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.644 7.108 21.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.169 10.421 20.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.460 8.456 23.500 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.744 10.087 22.834 1.00 0.00 H new ATOM 458 N VAL A 32 17.338 6.220 15.981 1.00 0.00 N ATOM 459 CA VAL A 32 17.254 6.467 14.549 1.00 0.00 C ATOM 460 C VAL A 32 15.806 6.417 14.074 1.00 0.00 C ATOM 461 O VAL A 32 15.299 7.377 13.495 1.00 0.00 O ATOM 462 CB VAL A 32 18.093 5.448 13.749 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.042 5.760 12.262 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.531 5.433 14.245 1.00 0.00 C ATOM 0 H VAL A 32 17.373 5.234 16.240 1.00 0.00 H new ATOM 0 HA VAL A 32 17.657 7.464 14.371 1.00 0.00 H new ATOM 0 HB VAL A 32 17.667 4.457 13.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.640 5.030 11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.009 5.715 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.440 6.759 12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.107 4.709 13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.968 6.424 14.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.549 5.156 15.299 1.00 0.00 H new ATOM 474 N HIS A 33 15.141 5.295 14.326 1.00 0.00 N ATOM 475 CA HIS A 33 13.759 5.118 13.899 1.00 0.00 C ATOM 476 C HIS A 33 12.914 4.507 15.004 1.00 0.00 C ATOM 477 O HIS A 33 13.418 3.778 15.864 1.00 0.00 O ATOM 478 CB HIS A 33 13.673 4.236 12.649 1.00 0.00 C ATOM 479 CG HIS A 33 14.098 4.921 11.391 1.00 0.00 C ATOM 480 ND1 HIS A 33 15.074 4.424 10.557 1.00 0.00 N ATOM 481 CD2 HIS A 33 13.656 6.061 10.813 1.00 0.00 C ATOM 482 CE1 HIS A 33 15.216 5.231 9.522 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.365 6.233 9.651 1.00 0.00 N ATOM 0 H HIS A 33 15.536 4.496 14.823 1.00 0.00 H new ATOM 0 HA HIS A 33 13.370 6.108 13.662 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.294 3.352 12.797 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.647 3.888 12.532 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.604 3.567 10.714 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.887 6.715 11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.911 5.095 8.707 1.00 0.00 H new ATOM 492 N LEU A 34 11.626 4.800 14.952 1.00 0.00 N ATOM 493 CA LEU A 34 10.663 4.300 15.918 1.00 0.00 C ATOM 494 C LEU A 34 9.707 3.333 15.237 1.00 0.00 C ATOM 495 O LEU A 34 9.173 3.634 14.169 1.00 0.00 O ATOM 496 CB LEU A 34 9.856 5.457 16.512 1.00 0.00 C ATOM 497 CG LEU A 34 10.663 6.511 17.263 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.790 7.704 17.603 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.250 5.921 18.526 1.00 0.00 C ATOM 0 H LEU A 34 11.216 5.396 14.233 1.00 0.00 H new ATOM 0 HA LEU A 34 11.205 3.790 16.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.313 5.949 15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.111 5.044 17.192 1.00 0.00 H new ATOM 0 HG LEU A 34 11.477 6.846 16.619 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.381 8.447 18.139 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.401 8.144 16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.960 7.380 18.230 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.823 6.684 19.052 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.445 5.564 19.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.905 5.089 18.269 1.00 0.00 H new ATOM 511 N ARG A 35 9.490 2.179 15.841 1.00 0.00 N ATOM 512 CA ARG A 35 8.545 1.222 15.293 1.00 0.00 C ATOM 513 C ARG A 35 7.754 0.528 16.394 1.00 0.00 C ATOM 514 O ARG A 35 8.308 0.089 17.408 1.00 0.00 O ATOM 515 CB ARG A 35 9.252 0.211 14.385 1.00 0.00 C ATOM 516 CG ARG A 35 10.548 -0.343 14.946 1.00 0.00 C ATOM 517 CD ARG A 35 10.431 -1.819 15.271 1.00 0.00 C ATOM 518 NE ARG A 35 9.648 -2.063 16.480 1.00 0.00 N ATOM 519 CZ ARG A 35 9.473 -3.265 17.024 1.00 0.00 C ATOM 520 NH1 ARG A 35 10.009 -4.341 16.455 1.00 0.00 N ATOM 521 NH2 ARG A 35 8.759 -3.389 18.139 1.00 0.00 N ATOM 0 H ARG A 35 9.950 1.883 16.702 1.00 0.00 H new ATOM 0 HA ARG A 35 7.830 1.773 14.681 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.573 -0.618 14.188 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.460 0.687 13.427 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.351 -0.191 14.225 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.820 0.208 15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.969 -2.338 14.431 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.428 -2.241 15.396 1.00 0.00 H new ATOM 0 HE ARG A 35 9.208 -1.263 16.935 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.556 -4.246 15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.873 -5.261 16.874 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.347 -2.564 18.575 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.623 -4.309 18.558 1.00 0.00 H new ATOM 535 N ILE A 36 6.454 0.442 16.183 1.00 0.00 N ATOM 536 CA ILE A 36 5.537 -0.127 17.158 1.00 0.00 C ATOM 537 C ILE A 36 4.822 -1.338 16.562 1.00 0.00 C ATOM 538 O ILE A 36 4.499 -1.346 15.379 1.00 0.00 O ATOM 539 CB ILE A 36 4.502 0.939 17.600 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.471 0.344 18.563 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.812 1.553 16.387 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.419 1.337 19.012 1.00 0.00 C ATOM 0 H ILE A 36 6.001 0.765 15.328 1.00 0.00 H new ATOM 0 HA ILE A 36 6.106 -0.449 18.031 1.00 0.00 H new ATOM 0 HB ILE A 36 5.038 1.727 18.129 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.979 -0.500 18.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.988 -0.047 19.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.089 2.299 16.718 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.556 2.028 15.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.297 0.772 15.827 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.722 0.847 19.692 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.900 2.170 19.524 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.876 1.710 18.143 1.00 0.00 H new ATOM 554 N CYS A 37 4.604 -2.375 17.363 1.00 0.00 N ATOM 555 CA CYS A 37 3.839 -3.525 16.887 1.00 0.00 C ATOM 556 C CYS A 37 2.375 -3.153 16.792 1.00 0.00 C ATOM 557 O CYS A 37 1.862 -2.449 17.657 1.00 0.00 O ATOM 558 CB CYS A 37 3.902 -4.718 17.833 1.00 0.00 C ATOM 559 SG CYS A 37 5.535 -5.230 18.428 1.00 0.00 S ATOM 0 H CYS A 37 4.937 -2.445 18.325 1.00 0.00 H new ATOM 0 HA CYS A 37 4.276 -3.797 15.926 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.284 -4.491 18.702 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.445 -5.570 17.330 1.00 0.00 H new ATOM 564 N ARG A 38 1.692 -3.674 15.792 1.00 0.00 N ATOM 565 CA ARG A 38 0.245 -3.533 15.708 1.00 0.00 C ATOM 566 C ARG A 38 -0.434 -4.602 16.570 1.00 0.00 C ATOM 567 O ARG A 38 -1.493 -5.121 16.220 1.00 0.00 O ATOM 568 CB ARG A 38 -0.208 -3.661 14.253 1.00 0.00 C ATOM 569 CG ARG A 38 0.294 -2.547 13.350 1.00 0.00 C ATOM 570 CD ARG A 38 -0.284 -1.202 13.757 1.00 0.00 C ATOM 571 NE ARG A 38 -1.746 -1.218 13.757 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.501 -0.205 13.337 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.943 0.911 12.901 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.822 -0.304 13.365 1.00 0.00 N ATOM 0 H ARG A 38 2.112 -4.199 15.025 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.040 -2.549 16.079 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.136 -4.617 13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.297 -3.677 14.222 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.382 -2.505 13.392 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.023 -2.764 12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.077 -0.937 14.751 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.071 -0.431 13.073 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.216 -2.056 14.100 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.927 1.001 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.528 1.683 12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.262 -1.157 13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.399 0.473 13.043 1.00 0.00 H new ATOM 588 N THR A 39 0.177 -4.905 17.715 1.00 0.00 N ATOM 589 CA THR A 39 -0.275 -6.005 18.560 1.00 0.00 C ATOM 590 C THR A 39 -0.194 -5.645 20.047 1.00 0.00 C ATOM 591 O THR A 39 -1.208 -5.600 20.736 1.00 0.00 O ATOM 592 CB THR A 39 0.574 -7.268 18.316 1.00 0.00 C ATOM 593 OG1 THR A 39 0.945 -7.351 16.933 1.00 0.00 O ATOM 594 CG2 THR A 39 -0.194 -8.521 18.711 1.00 0.00 C ATOM 0 H THR A 39 0.987 -4.402 18.077 1.00 0.00 H new ATOM 0 HA THR A 39 -1.315 -6.198 18.295 1.00 0.00 H new ATOM 0 HB THR A 39 1.471 -7.198 18.931 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.485 -8.155 16.787 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.425 -9.400 18.530 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.452 -8.471 19.769 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.106 -8.591 18.118 1.00 0.00 H new ATOM 602 N CYS A 40 1.020 -5.387 20.535 1.00 0.00 N ATOM 603 CA CYS A 40 1.229 -5.159 21.967 1.00 0.00 C ATOM 604 C CYS A 40 1.386 -3.669 22.286 1.00 0.00 C ATOM 605 O CYS A 40 1.339 -3.267 23.446 1.00 0.00 O ATOM 606 CB CYS A 40 2.462 -5.930 22.458 1.00 0.00 C ATOM 607 SG CYS A 40 4.052 -5.189 21.954 1.00 0.00 S ATOM 0 H CYS A 40 1.866 -5.331 19.968 1.00 0.00 H new ATOM 0 HA CYS A 40 0.344 -5.524 22.488 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.430 -5.991 23.546 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.413 -6.951 22.080 1.00 0.00 H new ATOM 612 N GLY A 41 1.594 -2.851 21.256 1.00 0.00 N ATOM 613 CA GLY A 41 1.694 -1.413 21.461 1.00 0.00 C ATOM 614 C GLY A 41 3.078 -0.940 21.886 1.00 0.00 C ATOM 615 O GLY A 41 3.302 0.258 22.042 1.00 0.00 O ATOM 0 H GLY A 41 1.695 -3.155 20.288 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.416 -0.905 20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.971 -1.114 22.220 1.00 0.00 H new ATOM 619 N HIS A 42 4.018 -1.864 22.055 1.00 0.00 N ATOM 620 CA HIS A 42 5.357 -1.490 22.513 1.00 0.00 C ATOM 621 C HIS A 42 6.163 -0.852 21.392 1.00 0.00 C ATOM 622 O HIS A 42 6.406 -1.472 20.349 1.00 0.00 O ATOM 623 CB HIS A 42 6.119 -2.689 23.086 1.00 0.00 C ATOM 624 CG HIS A 42 5.828 -2.963 24.533 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.722 -2.685 25.547 1.00 0.00 N ATOM 626 CD2 HIS A 42 4.747 -3.514 25.134 1.00 0.00 C ATOM 627 CE1 HIS A 42 6.204 -3.056 26.702 1.00 0.00 C ATOM 628 NE2 HIS A 42 5.009 -3.561 26.478 1.00 0.00 N ATOM 0 H HIS A 42 3.885 -2.861 21.886 1.00 0.00 H new ATOM 0 HA HIS A 42 5.224 -0.759 23.311 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.872 -3.576 22.502 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.189 -2.517 22.967 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.640 -2.259 25.423 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.846 -3.853 24.645 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.679 -2.962 27.667 1.00 0.00 H new ATOM 637 N VAL A 43 6.563 0.391 21.617 1.00 0.00 N ATOM 638 CA VAL A 43 7.386 1.126 20.671 1.00 0.00 C ATOM 639 C VAL A 43 8.858 0.851 20.945 1.00 0.00 C ATOM 640 O VAL A 43 9.349 1.087 22.049 1.00 0.00 O ATOM 641 CB VAL A 43 7.133 2.646 20.756 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.936 3.386 19.696 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.650 2.955 20.619 1.00 0.00 C ATOM 0 H VAL A 43 6.326 0.916 22.459 1.00 0.00 H new ATOM 0 HA VAL A 43 7.118 0.789 19.670 1.00 0.00 H new ATOM 0 HB VAL A 43 7.463 2.990 21.736 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.743 4.456 19.774 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.999 3.197 19.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.642 3.035 18.707 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.495 4.032 20.682 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.290 2.592 19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.100 2.462 21.421 1.00 0.00 H new ATOM 653 N GLY A 44 9.557 0.348 19.946 1.00 0.00 N ATOM 654 CA GLY A 44 10.945 -0.002 20.130 1.00 0.00 C ATOM 655 C GLY A 44 11.838 0.672 19.119 1.00 0.00 C ATOM 656 O GLY A 44 11.368 1.119 18.071 1.00 0.00 O ATOM 0 H GLY A 44 9.189 0.175 19.011 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.259 0.279 21.135 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.060 -1.083 20.051 1.00 0.00 H new ATOM 660 N CYS A 45 13.124 0.744 19.431 1.00 0.00 N ATOM 661 CA CYS A 45 14.092 1.330 18.524 1.00 0.00 C ATOM 662 C CYS A 45 14.327 0.390 17.360 1.00 0.00 C ATOM 663 O CYS A 45 14.588 -0.800 17.565 1.00 0.00 O ATOM 664 CB CYS A 45 15.414 1.599 19.250 1.00 0.00 C ATOM 665 SG CYS A 45 16.170 0.117 19.958 1.00 0.00 S ATOM 0 H CYS A 45 13.519 0.403 20.307 1.00 0.00 H new ATOM 0 HA CYS A 45 13.701 2.278 18.155 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.115 2.055 18.552 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.240 2.323 20.046 1.00 0.00 H new ATOM 0 HG CYS A 45 15.829 -0.922 19.255 1.00 0.00 H new ATOM 671 N CYS A 46 14.217 0.919 16.151 1.00 0.00 N ATOM 672 CA CYS A 46 14.440 0.137 14.946 1.00 0.00 C ATOM 673 C CYS A 46 15.836 -0.483 14.968 1.00 0.00 C ATOM 674 O CYS A 46 16.718 -0.023 15.701 1.00 0.00 O ATOM 675 CB CYS A 46 14.266 1.031 13.716 1.00 0.00 C ATOM 676 SG CYS A 46 14.344 0.166 12.132 1.00 0.00 S ATOM 0 H CYS A 46 13.973 1.894 15.979 1.00 0.00 H new ATOM 0 HA CYS A 46 13.710 -0.671 14.901 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.305 1.541 13.788 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.038 1.801 13.732 1.00 0.00 H new ATOM 0 HG CYS A 46 15.163 0.788 11.338 1.00 0.00 H new ATOM 682 N ASP A 47 16.037 -1.515 14.155 1.00 0.00 N ATOM 683 CA ASP A 47 17.307 -2.240 14.115 1.00 0.00 C ATOM 684 C ASP A 47 18.440 -1.355 13.599 1.00 0.00 C ATOM 685 O ASP A 47 19.597 -1.767 13.577 1.00 0.00 O ATOM 686 CB ASP A 47 17.183 -3.499 13.251 1.00 0.00 C ATOM 687 CG ASP A 47 16.746 -3.198 11.832 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.527 -3.041 11.606 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.614 -3.130 10.937 1.00 0.00 O ATOM 0 H ASP A 47 15.332 -1.872 13.510 1.00 0.00 H new ATOM 0 HA ASP A 47 17.549 -2.536 15.136 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.143 -4.015 13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.466 -4.180 13.710 1.00 0.00 H new ATOM 694 N ASP A 48 18.096 -0.138 13.187 1.00 0.00 N ATOM 695 CA ASP A 48 19.091 0.858 12.811 1.00 0.00 C ATOM 696 C ASP A 48 19.940 1.228 14.021 1.00 0.00 C ATOM 697 O ASP A 48 21.140 1.463 13.906 1.00 0.00 O ATOM 698 CB ASP A 48 18.424 2.128 12.271 1.00 0.00 C ATOM 699 CG ASP A 48 17.525 1.881 11.078 1.00 0.00 C ATOM 700 OD1 ASP A 48 18.030 1.444 10.025 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.310 2.149 11.184 1.00 0.00 O ATOM 0 H ASP A 48 17.131 0.182 13.105 1.00 0.00 H new ATOM 0 HA ASP A 48 19.717 0.425 12.030 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.839 2.587 13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.197 2.843 11.991 1.00 0.00 H new ATOM 706 N SER A 49 19.299 1.273 15.185 1.00 0.00 N ATOM 707 CA SER A 49 19.964 1.668 16.419 1.00 0.00 C ATOM 708 C SER A 49 20.634 0.462 17.083 1.00 0.00 C ATOM 709 O SER A 49 20.109 -0.648 17.023 1.00 0.00 O ATOM 710 CB SER A 49 18.945 2.309 17.364 1.00 0.00 C ATOM 711 OG SER A 49 18.293 3.400 16.732 1.00 0.00 O ATOM 0 H SER A 49 18.313 1.039 15.298 1.00 0.00 H new ATOM 0 HA SER A 49 20.742 2.395 16.187 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.208 1.566 17.670 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.446 2.653 18.269 1.00 0.00 H new ATOM 0 HG SER A 49 17.342 3.394 16.968 1.00 0.00 H new ATOM 717 N PRO A 50 21.788 0.680 17.747 1.00 0.00 N ATOM 718 CA PRO A 50 22.622 -0.403 18.304 1.00 0.00 C ATOM 719 C PRO A 50 21.889 -1.290 19.310 1.00 0.00 C ATOM 720 O PRO A 50 22.229 -2.461 19.475 1.00 0.00 O ATOM 721 CB PRO A 50 23.773 0.339 18.997 1.00 0.00 C ATOM 722 CG PRO A 50 23.291 1.738 19.170 1.00 0.00 C ATOM 723 CD PRO A 50 22.379 2.003 18.009 1.00 0.00 C ATOM 0 HA PRO A 50 22.939 -1.087 17.517 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.012 -0.116 19.958 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.681 0.307 18.394 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.763 1.855 20.116 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.125 2.440 19.181 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.618 2.744 18.254 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.925 2.380 17.144 1.00 0.00 H new ATOM 731 N HIS A 51 20.887 -0.732 19.983 1.00 0.00 N ATOM 732 CA HIS A 51 20.113 -1.495 20.962 1.00 0.00 C ATOM 733 C HIS A 51 19.396 -2.654 20.278 1.00 0.00 C ATOM 734 O HIS A 51 19.370 -3.772 20.792 1.00 0.00 O ATOM 735 CB HIS A 51 19.076 -0.612 21.669 1.00 0.00 C ATOM 736 CG HIS A 51 19.647 0.511 22.485 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.602 0.547 23.863 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.228 1.672 22.104 1.00 0.00 C ATOM 739 CE1 HIS A 51 20.121 1.681 24.288 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.513 2.382 23.242 1.00 0.00 N ATOM 0 H HIS A 51 20.592 0.238 19.871 1.00 0.00 H new ATOM 0 HA HIS A 51 20.812 -1.877 21.706 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.407 -0.191 20.918 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.469 -1.241 22.320 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.430 1.983 21.090 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.210 1.986 25.320 1.00 0.00 H new ATOM 0 HE2 HIS A 51 20.955 3.301 23.274 1.00 0.00 H new ATOM 749 N LYS A 52 18.828 -2.363 19.102 1.00 0.00 N ATOM 750 CA LYS A 52 18.048 -3.331 18.328 1.00 0.00 C ATOM 751 C LYS A 52 16.977 -4.011 19.174 1.00 0.00 C ATOM 752 O LYS A 52 16.667 -5.184 18.973 1.00 0.00 O ATOM 753 CB LYS A 52 18.953 -4.381 17.679 1.00 0.00 C ATOM 754 CG LYS A 52 19.852 -3.817 16.594 1.00 0.00 C ATOM 755 CD LYS A 52 20.433 -4.917 15.725 1.00 0.00 C ATOM 756 CE LYS A 52 21.284 -4.348 14.602 1.00 0.00 C ATOM 757 NZ LYS A 52 21.730 -5.402 13.654 1.00 0.00 N ATOM 0 H LYS A 52 18.898 -1.446 18.660 1.00 0.00 H new ATOM 0 HA LYS A 52 17.545 -2.769 17.541 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.571 -4.842 18.449 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.333 -5.170 17.253 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.284 -3.124 15.974 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.661 -3.247 17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.037 -5.586 16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.625 -5.515 15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.714 -3.592 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.155 -3.848 15.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.308 -4.972 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.296 -6.110 14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.899 -5.862 13.231 1.00 0.00 H new ATOM 771 N HIS A 53 16.381 -3.257 20.093 1.00 0.00 N ATOM 772 CA HIS A 53 15.308 -3.782 20.935 1.00 0.00 C ATOM 773 C HIS A 53 14.133 -4.240 20.074 1.00 0.00 C ATOM 774 O HIS A 53 13.293 -5.010 20.520 1.00 0.00 O ATOM 775 CB HIS A 53 14.843 -2.724 21.947 1.00 0.00 C ATOM 776 CG HIS A 53 13.882 -3.241 22.984 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.808 -2.509 23.452 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.852 -4.415 23.662 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.167 -3.209 24.371 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.778 -4.368 24.517 1.00 0.00 N ATOM 0 H HIS A 53 16.621 -2.282 20.274 1.00 0.00 H new ATOM 0 HA HIS A 53 15.695 -4.639 21.486 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.717 -2.311 22.451 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.370 -1.904 21.407 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.545 -5.236 23.550 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.290 -2.886 24.912 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.499 -5.109 25.160 1.00 0.00 H new ATOM 789 N ALA A 54 14.091 -3.765 18.837 1.00 0.00 N ATOM 790 CA ALA A 54 13.044 -4.143 17.901 1.00 0.00 C ATOM 791 C ALA A 54 13.128 -5.620 17.527 1.00 0.00 C ATOM 792 O ALA A 54 12.130 -6.342 17.590 1.00 0.00 O ATOM 793 CB ALA A 54 13.155 -3.298 16.649 1.00 0.00 C ATOM 0 H ALA A 54 14.776 -3.112 18.457 1.00 0.00 H new ATOM 0 HA ALA A 54 12.083 -3.973 18.386 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.370 -3.582 15.948 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.046 -2.245 16.910 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.129 -3.458 16.187 1.00 0.00 H new ATOM 799 N THR A 55 14.324 -6.067 17.169 1.00 0.00 N ATOM 800 CA THR A 55 14.524 -7.432 16.712 1.00 0.00 C ATOM 801 C THR A 55 14.567 -8.396 17.889 1.00 0.00 C ATOM 802 O THR A 55 14.013 -9.493 17.829 1.00 0.00 O ATOM 803 CB THR A 55 15.820 -7.550 15.891 1.00 0.00 C ATOM 804 OG1 THR A 55 16.898 -6.916 16.590 1.00 0.00 O ATOM 805 CG2 THR A 55 15.656 -6.911 14.521 1.00 0.00 C ATOM 0 H THR A 55 15.172 -5.501 17.187 1.00 0.00 H new ATOM 0 HA THR A 55 13.680 -7.696 16.074 1.00 0.00 H new ATOM 0 HB THR A 55 16.043 -8.608 15.755 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.721 -6.995 16.064 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.586 -7.008 13.961 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.853 -7.411 13.980 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.412 -5.855 14.639 1.00 0.00 H new ATOM 813 N ARG A 56 15.210 -7.964 18.965 1.00 0.00 N ATOM 814 CA ARG A 56 15.289 -8.752 20.189 1.00 0.00 C ATOM 815 C ARG A 56 13.890 -8.998 20.748 1.00 0.00 C ATOM 816 O ARG A 56 13.584 -10.077 21.251 1.00 0.00 O ATOM 817 CB ARG A 56 16.157 -8.019 21.214 1.00 0.00 C ATOM 818 CG ARG A 56 17.541 -7.683 20.681 1.00 0.00 C ATOM 819 CD ARG A 56 18.239 -6.633 21.527 1.00 0.00 C ATOM 820 NE ARG A 56 18.668 -7.147 22.822 1.00 0.00 N ATOM 821 CZ ARG A 56 19.660 -6.616 23.532 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.272 -5.518 23.102 1.00 0.00 N ATOM 823 NH2 ARG A 56 20.023 -7.172 24.680 1.00 0.00 N ATOM 0 H ARG A 56 15.688 -7.065 19.015 1.00 0.00 H new ATOM 0 HA ARG A 56 15.743 -9.718 19.968 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.656 -7.099 21.516 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.256 -8.636 22.107 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.148 -8.588 20.653 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.457 -7.324 19.655 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.106 -6.254 20.986 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.566 -5.790 21.681 1.00 0.00 H new ATOM 0 HE ARG A 56 18.181 -7.958 23.204 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.981 -5.082 22.227 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.032 -5.111 23.647 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.542 -8.006 25.018 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.783 -6.766 25.225 1.00 0.00 H new ATOM 837 N HIS A 57 13.036 -7.989 20.628 1.00 0.00 N ATOM 838 CA HIS A 57 11.651 -8.094 21.065 1.00 0.00 C ATOM 839 C HIS A 57 10.860 -9.018 20.138 1.00 0.00 C ATOM 840 O HIS A 57 10.020 -9.793 20.595 1.00 0.00 O ATOM 841 CB HIS A 57 11.026 -6.697 21.118 1.00 0.00 C ATOM 842 CG HIS A 57 9.558 -6.670 21.394 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.998 -6.832 22.641 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.526 -6.465 20.542 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.670 -6.721 22.510 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.337 -6.497 21.253 1.00 0.00 N ATOM 0 H HIS A 57 13.282 -7.083 20.229 1.00 0.00 H new ATOM 0 HA HIS A 57 11.621 -8.530 22.064 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.535 -6.117 21.887 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.211 -6.197 20.167 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.504 -7.006 23.509 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.615 -6.302 19.478 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.966 -6.804 23.324 1.00 0.00 H new ATOM 854 N PHE A 58 11.130 -8.934 18.838 1.00 0.00 N ATOM 855 CA PHE A 58 10.486 -9.813 17.863 1.00 0.00 C ATOM 856 C PHE A 58 10.878 -11.267 18.119 1.00 0.00 C ATOM 857 O PHE A 58 10.049 -12.172 18.021 1.00 0.00 O ATOM 858 CB PHE A 58 10.864 -9.401 16.435 1.00 0.00 C ATOM 859 CG PHE A 58 10.453 -10.397 15.383 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.147 -10.854 15.304 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.378 -10.879 14.475 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.776 -11.774 14.342 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.014 -11.797 13.510 1.00 0.00 C ATOM 864 CZ PHE A 58 9.710 -12.246 13.444 1.00 0.00 C ATOM 0 H PHE A 58 11.789 -8.268 18.435 1.00 0.00 H new ATOM 0 HA PHE A 58 9.406 -9.719 17.974 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.403 -8.439 16.211 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.943 -9.257 16.383 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.410 -10.487 16.003 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.400 -10.532 14.521 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.755 -12.123 14.293 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.748 -12.163 12.808 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.422 -12.965 12.691 1.00 0.00 H new ATOM 874 N HIS A 59 12.140 -11.473 18.464 1.00 0.00 N ATOM 875 CA HIS A 59 12.660 -12.803 18.767 1.00 0.00 C ATOM 876 C HIS A 59 11.926 -13.414 19.963 1.00 0.00 C ATOM 877 O HIS A 59 11.725 -14.625 20.030 1.00 0.00 O ATOM 878 CB HIS A 59 14.165 -12.707 19.061 1.00 0.00 C ATOM 879 CG HIS A 59 14.867 -14.028 19.179 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.002 -14.712 20.369 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.498 -14.780 18.246 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.685 -15.821 20.163 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.996 -15.886 18.884 1.00 0.00 N ATOM 0 H HIS A 59 12.832 -10.728 18.542 1.00 0.00 H new ATOM 0 HA HIS A 59 12.498 -13.450 17.905 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.640 -12.128 18.269 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.305 -12.152 19.989 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.591 -14.551 17.195 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.945 -16.552 20.915 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.523 -16.638 18.440 1.00 0.00 H new ATOM 892 N ALA A 60 11.512 -12.563 20.891 1.00 0.00 N ATOM 893 CA ALA A 60 10.904 -13.022 22.132 1.00 0.00 C ATOM 894 C ALA A 60 9.380 -13.113 22.045 1.00 0.00 C ATOM 895 O ALA A 60 8.790 -14.114 22.446 1.00 0.00 O ATOM 896 CB ALA A 60 11.304 -12.102 23.271 1.00 0.00 C ATOM 0 H ALA A 60 11.586 -11.549 20.808 1.00 0.00 H new ATOM 0 HA ALA A 60 11.273 -14.031 22.318 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.847 -12.450 24.197 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.389 -12.106 23.378 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.964 -11.089 23.057 1.00 0.00 H new ATOM 902 N THR A 61 8.742 -12.069 21.530 1.00 0.00 N ATOM 903 CA THR A 61 7.283 -11.995 21.542 1.00 0.00 C ATOM 904 C THR A 61 6.666 -12.462 20.226 1.00 0.00 C ATOM 905 O THR A 61 5.462 -12.712 20.153 1.00 0.00 O ATOM 906 CB THR A 61 6.797 -10.566 21.850 1.00 0.00 C ATOM 907 OG1 THR A 61 7.389 -9.632 20.933 1.00 0.00 O ATOM 908 CG2 THR A 61 7.148 -10.173 23.276 1.00 0.00 C ATOM 0 H THR A 61 9.205 -11.267 21.102 1.00 0.00 H new ATOM 0 HA THR A 61 6.954 -12.669 22.333 1.00 0.00 H new ATOM 0 HB THR A 61 5.713 -10.545 21.737 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.339 -9.521 21.147 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.795 -9.160 23.472 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.671 -10.864 23.972 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.229 -10.213 23.409 1.00 0.00 H new ATOM 916 N GLY A 62 7.488 -12.577 19.191 1.00 0.00 N ATOM 917 CA GLY A 62 6.988 -12.999 17.897 1.00 0.00 C ATOM 918 C GLY A 62 6.019 -11.999 17.294 1.00 0.00 C ATOM 919 O GLY A 62 4.938 -12.370 16.839 1.00 0.00 O ATOM 0 H GLY A 62 8.489 -12.386 19.224 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.827 -13.143 17.216 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.492 -13.964 18.000 1.00 0.00 H new ATOM 923 N HIS A 63 6.397 -10.727 17.302 1.00 0.00 N ATOM 924 CA HIS A 63 5.567 -9.680 16.711 1.00 0.00 C ATOM 925 C HIS A 63 6.234 -9.142 15.451 1.00 0.00 C ATOM 926 O HIS A 63 7.061 -8.232 15.516 1.00 0.00 O ATOM 927 CB HIS A 63 5.309 -8.543 17.711 1.00 0.00 C ATOM 928 CG HIS A 63 4.489 -8.960 18.898 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.539 -8.280 20.099 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.618 -9.992 19.011 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.703 -8.921 20.903 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.126 -9.959 20.286 1.00 0.00 N ATOM 0 H HIS A 63 7.271 -10.394 17.710 1.00 0.00 H new ATOM 0 HA HIS A 63 4.602 -10.114 16.448 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.265 -8.153 18.060 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.800 -7.727 17.197 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.362 -10.704 18.241 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.511 -8.641 21.928 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.447 -10.604 20.691 1.00 0.00 H new ATOM 940 N PRO A 64 5.890 -9.720 14.290 1.00 0.00 N ATOM 941 CA PRO A 64 6.575 -9.439 13.026 1.00 0.00 C ATOM 942 C PRO A 64 6.127 -8.144 12.353 1.00 0.00 C ATOM 943 O PRO A 64 6.855 -7.590 11.532 1.00 0.00 O ATOM 944 CB PRO A 64 6.188 -10.638 12.162 1.00 0.00 C ATOM 945 CG PRO A 64 4.834 -11.026 12.648 1.00 0.00 C ATOM 946 CD PRO A 64 4.809 -10.712 14.121 1.00 0.00 C ATOM 0 HA PRO A 64 7.646 -9.303 13.178 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.170 -10.376 11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.900 -11.456 12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.058 -10.473 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.647 -12.085 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.844 -10.308 14.427 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.987 -11.603 14.723 1.00 0.00 H new ATOM 954 N ILE A 65 4.933 -7.669 12.679 1.00 0.00 N ATOM 955 CA ILE A 65 4.401 -6.478 12.033 1.00 0.00 C ATOM 956 C ILE A 65 4.625 -5.239 12.882 1.00 0.00 C ATOM 957 O ILE A 65 4.184 -5.156 14.036 1.00 0.00 O ATOM 958 CB ILE A 65 2.902 -6.616 11.694 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.705 -7.740 10.674 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.350 -5.298 11.155 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.261 -7.975 10.292 1.00 0.00 C ATOM 0 H ILE A 65 4.320 -8.085 13.380 1.00 0.00 H new ATOM 0 HA ILE A 65 4.949 -6.368 11.097 1.00 0.00 H new ATOM 0 HB ILE A 65 2.355 -6.864 12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.275 -7.505 9.775 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.118 -8.663 11.081 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.292 -5.415 10.922 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.472 -4.518 11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.892 -5.019 10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.204 -8.786 9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.688 -8.242 11.180 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.848 -7.066 9.854 1.00 0.00 H new ATOM 973 N ILE A 66 5.319 -4.284 12.291 1.00 0.00 N ATOM 974 CA ILE A 66 5.638 -3.033 12.944 1.00 0.00 C ATOM 975 C ILE A 66 5.200 -1.860 12.081 1.00 0.00 C ATOM 976 O ILE A 66 5.255 -1.926 10.855 1.00 0.00 O ATOM 977 CB ILE A 66 7.150 -2.920 13.221 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.941 -3.049 11.913 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.577 -3.986 14.216 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.433 -2.848 12.069 1.00 0.00 C ATOM 0 H ILE A 66 5.678 -4.357 11.339 1.00 0.00 H new ATOM 0 HA ILE A 66 5.103 -3.010 13.894 1.00 0.00 H new ATOM 0 HB ILE A 66 7.360 -1.941 13.651 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.761 -4.037 11.488 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.560 -2.320 11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.647 -3.899 14.406 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.031 -3.852 15.150 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.360 -4.973 13.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.918 -2.956 11.099 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.627 -1.850 12.463 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.830 -3.593 12.758 1.00 0.00 H new ATOM 992 N GLU A 67 4.751 -0.802 12.723 1.00 0.00 N ATOM 993 CA GLU A 67 4.361 0.406 12.022 1.00 0.00 C ATOM 994 C GLU A 67 5.386 1.501 12.283 1.00 0.00 C ATOM 995 O GLU A 67 5.964 1.567 13.373 1.00 0.00 O ATOM 996 CB GLU A 67 2.970 0.852 12.478 1.00 0.00 C ATOM 997 CG GLU A 67 2.435 2.068 11.739 1.00 0.00 C ATOM 998 CD GLU A 67 1.045 2.453 12.196 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.491 1.754 13.071 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.496 3.446 11.679 1.00 0.00 O ATOM 0 H GLU A 67 4.646 -0.753 13.736 1.00 0.00 H new ATOM 0 HA GLU A 67 4.324 0.206 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.273 0.024 12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.003 1.074 13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.111 2.909 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.419 1.862 10.669 1.00 0.00 H new ATOM 1007 N GLY A 68 5.628 2.333 11.277 1.00 0.00 N ATOM 1008 CA GLY A 68 6.553 3.438 11.432 1.00 0.00 C ATOM 1009 C GLY A 68 6.019 4.486 12.380 1.00 0.00 C ATOM 1010 O GLY A 68 5.066 5.196 12.059 1.00 0.00 O ATOM 0 H GLY A 68 5.199 2.261 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.507 3.064 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.745 3.891 10.459 1.00 0.00 H new ATOM 1014 N TYR A 69 6.634 4.588 13.546 1.00 0.00 N ATOM 1015 CA TYR A 69 6.135 5.464 14.591 1.00 0.00 C ATOM 1016 C TYR A 69 6.781 6.846 14.509 1.00 0.00 C ATOM 1017 O TYR A 69 6.183 7.842 14.923 1.00 0.00 O ATOM 1018 CB TYR A 69 6.378 4.831 15.963 1.00 0.00 C ATOM 1019 CG TYR A 69 5.645 5.518 17.091 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.258 5.576 17.104 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.337 6.104 18.141 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.582 6.201 18.133 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.668 6.729 19.174 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.292 6.774 19.166 1.00 0.00 C ATOM 1025 OH TYR A 69 3.623 7.400 20.191 1.00 0.00 O ATOM 0 H TYR A 69 7.480 4.074 13.792 1.00 0.00 H new ATOM 0 HA TYR A 69 5.062 5.594 14.448 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.074 3.785 15.929 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.447 4.846 16.175 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.699 5.125 16.297 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.416 6.071 18.150 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.503 6.241 18.128 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.221 7.180 19.984 1.00 0.00 H new ATOM 0 HH TYR A 69 4.222 8.039 20.631 1.00 0.00 H new ATOM 1035 N ASP A 70 7.998 6.917 13.974 1.00 0.00 N ATOM 1036 CA ASP A 70 8.656 8.210 13.804 1.00 0.00 C ATOM 1037 C ASP A 70 8.217 8.897 12.500 1.00 0.00 C ATOM 1038 O ASP A 70 8.034 10.115 12.497 1.00 0.00 O ATOM 1039 CB ASP A 70 10.196 8.118 13.923 1.00 0.00 C ATOM 1040 CG ASP A 70 10.880 7.383 12.788 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.901 6.135 12.816 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.411 8.048 11.876 1.00 0.00 O ATOM 0 H ASP A 70 8.539 6.113 13.657 1.00 0.00 H new ATOM 0 HA ASP A 70 8.328 8.839 14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.603 9.128 13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.445 7.621 14.861 1.00 0.00 H new ATOM 1047 N PRO A 71 8.020 8.160 11.372 1.00 0.00 N ATOM 1048 CA PRO A 71 7.411 8.703 10.174 1.00 0.00 C ATOM 1049 C PRO A 71 5.963 8.228 10.022 1.00 0.00 C ATOM 1050 O PRO A 71 5.701 7.196 9.394 1.00 0.00 O ATOM 1051 CB PRO A 71 8.293 8.107 9.074 1.00 0.00 C ATOM 1052 CG PRO A 71 8.846 6.831 9.652 1.00 0.00 C ATOM 1053 CD PRO A 71 8.424 6.776 11.106 1.00 0.00 C ATOM 0 HA PRO A 71 7.359 9.792 10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.716 7.911 8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.094 8.793 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.466 5.966 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.932 6.809 9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.603 6.076 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.242 6.460 11.754 1.00 0.00 H new ATOM 1061 N PRO A 72 5.002 8.956 10.610 1.00 0.00 N ATOM 1062 CA PRO A 72 3.605 8.538 10.642 1.00 0.00 C ATOM 1063 C PRO A 72 2.908 8.745 9.302 1.00 0.00 C ATOM 1064 O PRO A 72 2.190 9.728 9.101 1.00 0.00 O ATOM 1065 CB PRO A 72 2.972 9.427 11.727 1.00 0.00 C ATOM 1066 CG PRO A 72 4.093 10.231 12.309 1.00 0.00 C ATOM 1067 CD PRO A 72 5.186 10.243 11.280 1.00 0.00 C ATOM 0 HA PRO A 72 3.510 7.472 10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.206 10.076 11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.487 8.822 12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.765 11.245 12.539 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.443 9.790 13.242 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.083 11.079 10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.172 10.326 11.736 1.00 0.00 H new ATOM 1075 N GLU A 73 3.154 7.832 8.374 1.00 0.00 N ATOM 1076 CA GLU A 73 2.505 7.871 7.073 1.00 0.00 C ATOM 1077 C GLU A 73 1.528 6.711 6.937 1.00 0.00 C ATOM 1078 O GLU A 73 0.854 6.566 5.917 1.00 0.00 O ATOM 1079 CB GLU A 73 3.544 7.821 5.952 1.00 0.00 C ATOM 1080 CG GLU A 73 4.554 8.955 6.011 1.00 0.00 C ATOM 1081 CD GLU A 73 5.376 9.068 4.747 1.00 0.00 C ATOM 1082 OE1 GLU A 73 4.913 9.731 3.794 1.00 0.00 O ATOM 1083 OE2 GLU A 73 6.491 8.502 4.697 1.00 0.00 O ATOM 0 H GLU A 73 3.801 7.053 8.499 1.00 0.00 H new ATOM 0 HA GLU A 73 1.953 8.807 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.074 6.870 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.031 7.851 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.030 9.895 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.220 8.800 6.860 1.00 0.00 H new ATOM 1090 N GLY A 74 1.451 5.896 7.983 1.00 0.00 N ATOM 1091 CA GLY A 74 0.568 4.750 7.968 1.00 0.00 C ATOM 1092 C GLY A 74 1.087 3.644 7.076 1.00 0.00 C ATOM 1093 O GLY A 74 0.560 3.411 5.988 1.00 0.00 O ATOM 0 H GLY A 74 1.987 6.011 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.449 4.371 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.420 5.058 7.625 1.00 0.00 H new ATOM 1097 N TRP A 75 2.124 2.966 7.532 1.00 0.00 N ATOM 1098 CA TRP A 75 2.712 1.875 6.776 1.00 0.00 C ATOM 1099 C TRP A 75 3.152 0.763 7.713 1.00 0.00 C ATOM 1100 O TRP A 75 3.633 1.021 8.818 1.00 0.00 O ATOM 1101 CB TRP A 75 3.888 2.370 5.925 1.00 0.00 C ATOM 1102 CG TRP A 75 4.941 3.111 6.699 1.00 0.00 C ATOM 1103 CD1 TRP A 75 4.924 4.432 7.043 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.171 2.579 7.207 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.063 4.753 7.739 1.00 0.00 N ATOM 1106 CE2 TRP A 75 6.846 3.633 7.851 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.766 1.314 7.183 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.085 3.460 8.462 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.995 1.143 7.791 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.644 2.212 8.422 1.00 0.00 C ATOM 0 H TRP A 75 2.578 3.153 8.426 1.00 0.00 H new ATOM 0 HA TRP A 75 1.956 1.477 6.099 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.350 1.515 5.432 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.505 3.022 5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.130 5.124 6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.290 5.675 8.112 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.273 0.485 6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.587 4.282 8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.463 0.170 7.780 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.605 2.048 8.886 1.00 0.00 H new ATOM 1121 N GLY A 76 2.971 -0.470 7.273 1.00 0.00 N ATOM 1122 CA GLY A 76 3.300 -1.606 8.100 1.00 0.00 C ATOM 1123 C GLY A 76 4.392 -2.458 7.498 1.00 0.00 C ATOM 1124 O GLY A 76 4.319 -2.847 6.330 1.00 0.00 O ATOM 0 H GLY A 76 2.600 -0.704 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.615 -1.257 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.408 -2.215 8.249 1.00 0.00 H new ATOM 1128 N TRP A 77 5.403 -2.744 8.295 1.00 0.00 N ATOM 1129 CA TRP A 77 6.500 -3.595 7.876 1.00 0.00 C ATOM 1130 C TRP A 77 6.377 -4.946 8.564 1.00 0.00 C ATOM 1131 O TRP A 77 6.058 -5.019 9.748 1.00 0.00 O ATOM 1132 CB TRP A 77 7.845 -2.939 8.219 1.00 0.00 C ATOM 1133 CG TRP A 77 9.039 -3.784 7.877 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.727 -4.611 8.720 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.688 -3.880 6.604 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.761 -5.216 8.048 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.759 -4.783 6.748 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.469 -3.292 5.355 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.606 -5.109 5.693 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.310 -3.617 4.308 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.368 -4.518 4.483 1.00 0.00 C ATOM 0 H TRP A 77 5.487 -2.394 9.249 1.00 0.00 H new ATOM 0 HA TRP A 77 6.457 -3.736 6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.921 -1.989 7.689 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.866 -2.712 9.285 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.492 -4.766 9.763 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.423 -5.880 8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.656 -2.596 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.422 -5.804 5.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.149 -3.169 3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.009 -4.751 3.645 1.00 0.00 H new ATOM 1152 N CYS A 78 6.606 -6.011 7.823 1.00 0.00 N ATOM 1153 CA CYS A 78 6.519 -7.346 8.387 1.00 0.00 C ATOM 1154 C CYS A 78 7.879 -8.026 8.291 1.00 0.00 C ATOM 1155 O CYS A 78 8.333 -8.338 7.196 1.00 0.00 O ATOM 1156 CB CYS A 78 5.452 -8.153 7.648 1.00 0.00 C ATOM 1157 SG CYS A 78 4.739 -9.526 8.609 1.00 0.00 S ATOM 0 H CYS A 78 6.853 -5.981 6.834 1.00 0.00 H new ATOM 0 HA CYS A 78 6.233 -7.284 9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.648 -7.480 7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.888 -8.555 6.733 1.00 0.00 H new ATOM 1162 N TYR A 79 8.515 -8.237 9.445 1.00 0.00 N ATOM 1163 CA TYR A 79 9.899 -8.733 9.514 1.00 0.00 C ATOM 1164 C TYR A 79 10.167 -9.927 8.596 1.00 0.00 C ATOM 1165 O TYR A 79 10.926 -9.814 7.639 1.00 0.00 O ATOM 1166 CB TYR A 79 10.270 -9.101 10.955 1.00 0.00 C ATOM 1167 CG TYR A 79 10.614 -7.910 11.821 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.716 -7.117 11.526 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.848 -7.580 12.934 1.00 0.00 C ATOM 1170 CE1 TYR A 79 12.045 -6.029 12.310 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.171 -6.492 13.723 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.270 -5.721 13.407 1.00 0.00 C ATOM 1173 OH TYR A 79 11.592 -4.631 14.187 1.00 0.00 O ATOM 0 H TYR A 79 8.091 -8.071 10.357 1.00 0.00 H new ATOM 0 HA TYR A 79 10.526 -7.914 9.163 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.438 -9.639 11.408 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.120 -9.784 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.327 -7.356 10.668 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.988 -8.183 13.186 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.905 -5.423 12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.566 -6.247 14.583 1.00 0.00 H new ATOM 0 HH TYR A 79 12.027 -3.949 13.633 1.00 0.00 H new ATOM 1183 N VAL A 80 9.540 -11.062 8.885 1.00 0.00 N ATOM 1184 CA VAL A 80 9.818 -12.299 8.151 1.00 0.00 C ATOM 1185 C VAL A 80 9.360 -12.229 6.692 1.00 0.00 C ATOM 1186 O VAL A 80 9.842 -12.982 5.849 1.00 0.00 O ATOM 1187 CB VAL A 80 9.176 -13.525 8.836 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.856 -13.807 10.166 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.682 -13.320 9.037 1.00 0.00 C ATOM 0 H VAL A 80 8.838 -11.155 9.619 1.00 0.00 H new ATOM 0 HA VAL A 80 10.902 -12.414 8.161 1.00 0.00 H new ATOM 0 HB VAL A 80 9.314 -14.387 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.391 -14.674 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.914 -14.009 9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.751 -12.941 10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.256 -14.199 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.516 -12.444 9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.202 -13.170 8.070 1.00 0.00 H new ATOM 1199 N ASP A 81 8.436 -11.324 6.401 1.00 0.00 N ATOM 1200 CA ASP A 81 7.908 -11.174 5.046 1.00 0.00 C ATOM 1201 C ASP A 81 8.822 -10.283 4.223 1.00 0.00 C ATOM 1202 O ASP A 81 9.006 -10.502 3.027 1.00 0.00 O ATOM 1203 CB ASP A 81 6.511 -10.546 5.059 1.00 0.00 C ATOM 1204 CG ASP A 81 5.505 -11.290 5.914 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.826 -11.634 7.066 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.360 -11.474 5.466 1.00 0.00 O ATOM 0 H ASP A 81 8.034 -10.681 7.083 1.00 0.00 H new ATOM 0 HA ASP A 81 7.851 -12.170 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.589 -9.520 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.137 -10.497 4.036 1.00 0.00 H new ATOM 1211 N GLU A 82 9.372 -9.264 4.887 1.00 0.00 N ATOM 1212 CA GLU A 82 10.236 -8.266 4.253 1.00 0.00 C ATOM 1213 C GLU A 82 9.434 -7.403 3.281 1.00 0.00 C ATOM 1214 O GLU A 82 9.984 -6.801 2.360 1.00 0.00 O ATOM 1215 CB GLU A 82 11.423 -8.928 3.543 1.00 0.00 C ATOM 1216 CG GLU A 82 12.307 -9.738 4.477 1.00 0.00 C ATOM 1217 CD GLU A 82 13.499 -10.345 3.771 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.302 -11.257 2.941 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.640 -9.923 4.046 1.00 0.00 O ATOM 0 H GLU A 82 9.230 -9.107 5.885 1.00 0.00 H new ATOM 0 HA GLU A 82 10.637 -7.622 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.048 -9.579 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.025 -8.157 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.657 -9.097 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.716 -10.533 4.932 1.00 0.00 H new ATOM 1226 N VAL A 83 8.129 -7.329 3.514 1.00 0.00 N ATOM 1227 CA VAL A 83 7.250 -6.508 2.696 1.00 0.00 C ATOM 1228 C VAL A 83 6.711 -5.333 3.505 1.00 0.00 C ATOM 1229 O VAL A 83 6.562 -5.423 4.730 1.00 0.00 O ATOM 1230 CB VAL A 83 6.062 -7.320 2.123 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.560 -8.496 1.297 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.131 -7.799 3.232 1.00 0.00 C ATOM 0 H VAL A 83 7.656 -7.830 4.266 1.00 0.00 H new ATOM 0 HA VAL A 83 7.846 -6.140 1.861 1.00 0.00 H new ATOM 0 HB VAL A 83 5.493 -6.658 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.708 -9.052 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.166 -8.128 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.163 -9.152 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.308 -8.365 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.685 -8.436 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.734 -6.939 3.771 1.00 0.00 H new ATOM 1242 N MET A 84 6.433 -4.233 2.819 1.00 0.00 N ATOM 1243 CA MET A 84 5.865 -3.054 3.455 1.00 0.00 C ATOM 1244 C MET A 84 4.516 -2.730 2.825 1.00 0.00 C ATOM 1245 O MET A 84 4.423 -2.493 1.617 1.00 0.00 O ATOM 1246 CB MET A 84 6.809 -1.858 3.319 1.00 0.00 C ATOM 1247 CG MET A 84 6.379 -0.649 4.131 1.00 0.00 C ATOM 1248 SD MET A 84 7.415 0.795 3.826 1.00 0.00 S ATOM 1249 CE MET A 84 6.888 1.250 2.175 1.00 0.00 C ATOM 0 H MET A 84 6.593 -4.133 1.817 1.00 0.00 H new ATOM 0 HA MET A 84 5.727 -3.262 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.809 -2.158 3.631 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.875 -1.575 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.344 -0.406 3.893 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.412 -0.898 5.192 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.215 2.267 1.956 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.327 0.564 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.801 1.197 2.112 1.00 0.00 H new ATOM 1259 N PHE A 85 3.477 -2.731 3.640 1.00 0.00 N ATOM 1260 CA PHE A 85 2.129 -2.489 3.155 1.00 0.00 C ATOM 1261 C PHE A 85 1.567 -1.200 3.740 1.00 0.00 C ATOM 1262 O PHE A 85 2.141 -0.632 4.669 1.00 0.00 O ATOM 1263 CB PHE A 85 1.221 -3.680 3.480 1.00 0.00 C ATOM 1264 CG PHE A 85 1.278 -4.138 4.911 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.421 -3.603 5.857 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.180 -5.115 5.304 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.464 -4.031 7.169 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.228 -5.545 6.616 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.368 -5.003 7.549 1.00 0.00 C ATOM 0 H PHE A 85 3.541 -2.897 4.644 1.00 0.00 H new ATOM 0 HA PHE A 85 2.168 -2.376 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.192 -3.412 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.493 -4.515 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.289 -2.843 5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.853 -5.545 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.210 -3.605 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.937 -6.304 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.402 -5.339 8.575 1.00 0.00 H new ATOM 1279 N ASP A 86 0.449 -0.743 3.191 1.00 0.00 N ATOM 1280 CA ASP A 86 -0.146 0.522 3.609 1.00 0.00 C ATOM 1281 C ASP A 86 -1.129 0.316 4.756 1.00 0.00 C ATOM 1282 O ASP A 86 -1.931 -0.617 4.742 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.859 1.197 2.432 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.475 2.533 2.813 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.781 3.565 2.702 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.659 2.557 3.219 1.00 0.00 O ATOM 0 H ASP A 86 -0.065 -1.228 2.455 1.00 0.00 H new ATOM 0 HA ASP A 86 0.661 1.167 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.149 1.347 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.639 0.535 2.056 1.00 0.00 H new ATOM 1291 N LEU A 87 -1.054 1.194 5.744 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.959 1.165 6.886 1.00 0.00 C ATOM 1293 C LEU A 87 -2.469 2.569 7.183 1.00 0.00 C ATOM 1294 O LEU A 87 -2.856 2.864 8.307 1.00 0.00 O ATOM 1295 CB LEU A 87 -1.249 0.616 8.129 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.981 -0.889 8.131 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.222 -1.285 9.389 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.289 -1.661 8.034 1.00 0.00 C ATOM 0 H LEU A 87 -0.366 1.946 5.778 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.796 0.513 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.297 1.136 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.850 0.860 9.005 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.370 -1.136 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.037 -2.359 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.729 -0.753 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.814 -1.027 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.081 -2.731 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.922 -1.412 8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.802 -1.393 7.110 1.00 0.00 H new ATOM 1310 N SER A 88 -2.490 3.420 6.163 1.00 0.00 N ATOM 1311 CA SER A 88 -2.808 4.836 6.339 1.00 0.00 C ATOM 1312 C SER A 88 -4.172 5.050 7.003 1.00 0.00 C ATOM 1313 O SER A 88 -4.321 5.920 7.861 1.00 0.00 O ATOM 1314 CB SER A 88 -2.756 5.553 4.988 1.00 0.00 C ATOM 1315 OG SER A 88 -3.610 4.931 4.042 1.00 0.00 O ATOM 0 H SER A 88 -2.289 3.153 5.199 1.00 0.00 H new ATOM 0 HA SER A 88 -2.058 5.259 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.049 6.595 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.733 5.553 4.613 1.00 0.00 H new ATOM 0 HG SER A 88 -3.225 4.072 3.769 1.00 0.00 H new ATOM 1321 N ASP A 89 -5.153 4.237 6.632 1.00 0.00 N ATOM 1322 CA ASP A 89 -6.511 4.400 7.147 1.00 0.00 C ATOM 1323 C ASP A 89 -6.626 3.837 8.557 1.00 0.00 C ATOM 1324 O ASP A 89 -7.624 4.051 9.246 1.00 0.00 O ATOM 1325 CB ASP A 89 -7.526 3.705 6.237 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.442 4.179 4.802 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.828 5.331 4.523 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.974 3.400 3.945 1.00 0.00 O ATOM 0 H ASP A 89 -5.037 3.461 5.980 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.728 5.468 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.361 2.628 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.532 3.885 6.617 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.594 3.129 8.989 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.611 2.460 10.281 1.00 0.00 C ATOM 1335 C ARG A 90 -4.407 2.889 11.113 1.00 0.00 C ATOM 1336 O ARG A 90 -4.093 2.260 12.120 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.568 0.938 10.086 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.421 0.427 8.932 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.310 -1.083 8.789 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.860 -1.568 7.523 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.444 -2.758 7.371 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.685 -3.527 8.427 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.813 -3.164 6.161 1.00 0.00 N ATOM 0 H ARG A 90 -4.730 3.002 8.461 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.528 2.737 10.800 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.534 0.634 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.898 0.457 11.007 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.462 0.703 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.107 0.906 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.263 -1.376 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.833 -1.562 9.616 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.793 -0.960 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.423 -3.209 9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.132 -4.436 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.650 -2.566 5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.260 -4.073 6.042 1.00 0.00 H new ATOM 1357 N MET A 91 -3.752 3.970 10.693 1.00 0.00 N ATOM 1358 CA MET A 91 -2.455 4.364 11.254 1.00 0.00 C ATOM 1359 C MET A 91 -2.535 4.683 12.744 1.00 0.00 C ATOM 1360 O MET A 91 -3.591 5.061 13.259 1.00 0.00 O ATOM 1361 CB MET A 91 -1.882 5.575 10.508 1.00 0.00 C ATOM 1362 CG MET A 91 -2.671 6.859 10.716 1.00 0.00 C ATOM 1363 SD MET A 91 -1.827 8.314 10.058 1.00 0.00 S ATOM 1364 CE MET A 91 -1.727 7.907 8.316 1.00 0.00 C ATOM 0 H MET A 91 -4.098 4.593 9.963 1.00 0.00 H new ATOM 0 HA MET A 91 -1.794 3.507 11.128 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.854 5.736 10.832 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.848 5.350 9.442 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.646 6.763 10.237 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.852 7.000 11.782 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.326 8.758 7.766 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.072 7.046 8.180 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.722 7.668 7.940 1.00 0.00 H new ATOM 1374 N THR A 92 -1.407 4.526 13.422 1.00 0.00 N ATOM 1375 CA THR A 92 -1.303 4.847 14.836 1.00 0.00 C ATOM 1376 C THR A 92 -0.680 6.230 15.024 1.00 0.00 C ATOM 1377 O THR A 92 0.512 6.421 14.780 1.00 0.00 O ATOM 1378 CB THR A 92 -0.447 3.804 15.584 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.871 2.480 15.236 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.554 3.990 17.091 1.00 0.00 C ATOM 0 H THR A 92 -0.543 4.174 13.009 1.00 0.00 H new ATOM 0 HA THR A 92 -2.312 4.838 15.249 1.00 0.00 H new ATOM 0 HB THR A 92 0.592 3.946 15.288 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.227 2.083 14.613 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.059 3.242 17.594 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.204 4.987 17.360 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.593 3.875 17.399 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.483 7.222 15.435 1.00 0.00 N ATOM 1389 CA PRO A 93 -0.989 8.575 15.691 1.00 0.00 C ATOM 1390 C PRO A 93 -0.138 8.636 16.957 1.00 0.00 C ATOM 1391 O PRO A 93 -0.543 8.134 18.008 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.270 9.396 15.859 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.296 8.415 16.314 1.00 0.00 C ATOM 1394 CD PRO A 93 -2.932 7.100 15.681 1.00 0.00 C ATOM 0 HA PRO A 93 -0.344 8.940 14.892 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.135 10.194 16.589 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.563 9.868 14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.302 8.335 17.401 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.295 8.729 16.012 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.157 6.262 16.340 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.483 6.935 14.755 1.00 0.00 H new ATOM 1402 N HIS A 94 1.038 9.251 16.857 1.00 0.00 N ATOM 1403 CA HIS A 94 1.954 9.327 17.992 1.00 0.00 C ATOM 1404 C HIS A 94 1.324 10.091 19.152 1.00 0.00 C ATOM 1405 O HIS A 94 0.653 11.108 18.954 1.00 0.00 O ATOM 1406 CB HIS A 94 3.308 9.946 17.596 1.00 0.00 C ATOM 1407 CG HIS A 94 3.261 11.383 17.161 1.00 0.00 C ATOM 1408 ND1 HIS A 94 2.956 11.777 15.875 1.00 0.00 N ATOM 1409 CD2 HIS A 94 3.520 12.522 17.846 1.00 0.00 C ATOM 1410 CE1 HIS A 94 3.034 13.091 15.790 1.00 0.00 C ATOM 1411 NE2 HIS A 94 3.374 13.567 16.972 1.00 0.00 N ATOM 0 H HIS A 94 1.378 9.701 16.007 1.00 0.00 H new ATOM 0 HA HIS A 94 2.148 8.306 18.320 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.987 9.864 18.445 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.736 9.354 16.787 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.792 12.594 18.889 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.850 13.678 14.902 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.507 14.553 17.199 1.00 0.00 H new ATOM 1420 N ASN A 95 1.540 9.578 20.354 1.00 0.00 N ATOM 1421 CA ASN A 95 0.918 10.118 21.560 1.00 0.00 C ATOM 1422 C ASN A 95 1.376 11.543 21.875 1.00 0.00 C ATOM 1423 O ASN A 95 0.553 12.453 21.985 1.00 0.00 O ATOM 1424 CB ASN A 95 1.178 9.194 22.762 1.00 0.00 C ATOM 1425 CG ASN A 95 2.601 8.650 22.823 1.00 0.00 C ATOM 1426 OD1 ASN A 95 3.549 9.268 22.338 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.759 7.483 23.422 1.00 0.00 N ATOM 0 H ASN A 95 2.149 8.778 20.524 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.154 10.165 21.366 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.968 9.741 23.681 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.480 8.357 22.723 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.688 7.068 23.493 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.952 6.997 23.813 1.00 0.00 H new ATOM 1434 N GLY A 96 2.675 11.744 22.014 1.00 0.00 N ATOM 1435 CA GLY A 96 3.174 13.036 22.436 1.00 0.00 C ATOM 1436 C GLY A 96 4.341 13.514 21.603 1.00 0.00 C ATOM 1437 O GLY A 96 4.701 12.872 20.616 1.00 0.00 O ATOM 0 H GLY A 96 3.392 11.039 21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.368 13.768 22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.479 12.979 23.481 1.00 0.00 H new ATOM 1441 N PRO A 97 4.951 14.647 21.984 1.00 0.00 N ATOM 1442 CA PRO A 97 6.089 15.221 21.260 1.00 0.00 C ATOM 1443 C PRO A 97 7.322 14.331 21.341 1.00 0.00 C ATOM 1444 O PRO A 97 7.837 14.051 22.427 1.00 0.00 O ATOM 1445 CB PRO A 97 6.335 16.554 21.973 1.00 0.00 C ATOM 1446 CG PRO A 97 5.760 16.369 23.334 1.00 0.00 C ATOM 1447 CD PRO A 97 4.582 15.455 23.160 1.00 0.00 C ATOM 0 HA PRO A 97 5.885 15.332 20.195 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.399 16.786 22.021 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.852 17.378 21.448 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.494 15.935 24.013 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.454 17.324 23.762 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.422 14.833 24.041 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.661 16.013 22.992 1.00 0.00 H new ATOM 1455 N ILE A 98 7.787 13.882 20.191 1.00 0.00 N ATOM 1456 CA ILE A 98 8.918 12.978 20.130 1.00 0.00 C ATOM 1457 C ILE A 98 10.206 13.740 19.840 1.00 0.00 C ATOM 1458 O ILE A 98 10.297 14.462 18.846 1.00 0.00 O ATOM 1459 CB ILE A 98 8.703 11.897 19.052 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.405 11.132 19.332 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.891 10.947 19.006 1.00 0.00 C ATOM 1462 CD1 ILE A 98 7.101 10.047 18.325 1.00 0.00 C ATOM 0 H ILE A 98 7.396 14.130 19.282 1.00 0.00 H new ATOM 0 HA ILE A 98 9.004 12.493 21.102 1.00 0.00 H new ATOM 0 HB ILE A 98 8.619 12.380 18.078 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.465 10.686 20.325 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.576 11.839 19.350 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.722 10.190 18.240 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.796 11.507 18.770 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.007 10.462 19.975 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.167 9.553 18.593 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.006 10.488 17.333 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.910 9.317 18.322 1.00 0.00 H new ATOM 1474 N PRO A 99 11.209 13.610 20.723 1.00 0.00 N ATOM 1475 CA PRO A 99 12.513 14.244 20.537 1.00 0.00 C ATOM 1476 C PRO A 99 13.267 13.653 19.350 1.00 0.00 C ATOM 1477 O PRO A 99 13.781 12.537 19.419 1.00 0.00 O ATOM 1478 CB PRO A 99 13.264 13.951 21.846 1.00 0.00 C ATOM 1479 CG PRO A 99 12.223 13.481 22.806 1.00 0.00 C ATOM 1480 CD PRO A 99 11.148 12.844 21.975 1.00 0.00 C ATOM 0 HA PRO A 99 12.417 15.309 20.326 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.032 13.192 21.697 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.767 14.844 22.218 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.641 12.767 23.516 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.825 14.313 23.387 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.339 11.784 21.810 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.170 12.922 22.450 1.00 0.00 H new ATOM 1488 N ARG A 100 13.301 14.391 18.254 1.00 0.00 N ATOM 1489 CA ARG A 100 14.018 13.960 17.067 1.00 0.00 C ATOM 1490 C ARG A 100 15.466 14.430 17.142 1.00 0.00 C ATOM 1491 O ARG A 100 15.743 15.628 17.187 1.00 0.00 O ATOM 1492 CB ARG A 100 13.311 14.482 15.811 1.00 0.00 C ATOM 1493 CG ARG A 100 14.017 14.152 14.505 1.00 0.00 C ATOM 1494 CD ARG A 100 14.923 15.289 14.075 1.00 0.00 C ATOM 1495 NE ARG A 100 15.615 15.008 12.821 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.624 15.834 11.777 1.00 0.00 C ATOM 1497 NH1 ARG A 100 14.853 16.917 11.773 1.00 0.00 N ATOM 1498 NH2 ARG A 100 16.376 15.556 10.720 1.00 0.00 N ATOM 0 H ARG A 100 12.838 15.295 18.162 1.00 0.00 H new ATOM 0 HA ARG A 100 14.024 12.871 17.013 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.303 14.068 15.779 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.209 15.564 15.890 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.603 13.241 14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.279 13.957 13.727 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.332 16.198 13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.658 15.480 14.857 1.00 0.00 H new ATOM 0 HE ARG A 100 16.122 14.127 12.740 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.251 17.118 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.863 17.547 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.946 14.710 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.384 16.188 9.919 1.00 0.00 H new ATOM 1512 N TYR A 101 16.383 13.478 17.167 1.00 0.00 N ATOM 1513 CA TYR A 101 17.791 13.784 17.356 1.00 0.00 C ATOM 1514 C TYR A 101 18.490 13.956 16.017 1.00 0.00 C ATOM 1515 O TYR A 101 19.031 15.023 15.718 1.00 0.00 O ATOM 1516 CB TYR A 101 18.475 12.669 18.152 1.00 0.00 C ATOM 1517 CG TYR A 101 17.853 12.396 19.503 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.275 13.076 20.638 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.850 11.446 19.644 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.714 12.816 21.875 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.284 11.183 20.874 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.718 11.869 21.986 1.00 0.00 C ATOM 1523 OH TYR A 101 16.156 11.601 23.216 1.00 0.00 O ATOM 0 H TYR A 101 16.177 12.485 17.059 1.00 0.00 H new ATOM 0 HA TYR A 101 17.862 14.719 17.912 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.453 11.752 17.563 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.523 12.931 18.294 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.054 13.820 20.553 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.507 10.904 18.775 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.054 13.352 22.749 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.504 10.442 20.964 1.00 0.00 H new ATOM 0 HH TYR A 101 15.630 10.776 23.163 1.00 0.00 H new ATOM 1533 N VAL A 102 18.455 12.908 15.208 1.00 0.00 N ATOM 1534 CA VAL A 102 19.164 12.895 13.938 1.00 0.00 C ATOM 1535 C VAL A 102 18.233 13.269 12.793 1.00 0.00 C ATOM 1536 O VAL A 102 18.605 14.140 11.983 1.00 0.00 O ATOM 1537 CB VAL A 102 19.826 11.525 13.657 1.00 0.00 C ATOM 1538 CG1 VAL A 102 20.948 11.265 14.651 1.00 0.00 C ATOM 1539 CG2 VAL A 102 18.806 10.393 13.705 1.00 0.00 C ATOM 1540 OXT VAL A 102 17.111 12.726 12.732 1.00 0.00 O ATOM 0 H VAL A 102 17.940 12.051 15.410 1.00 0.00 H new ATOM 0 HA VAL A 102 19.957 13.640 14.010 1.00 0.00 H new ATOM 0 HB VAL A 102 20.243 11.558 12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 102 21.404 10.298 14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 102 21.701 12.048 14.563 1.00 0.00 H new ATOM 0 HG13 VAL A 102 20.544 11.263 15.663 1.00 0.00 H new ATOM 0 HG21 VAL A 102 19.305 9.445 13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 102 18.347 10.358 14.693 1.00 0.00 H new ATOM 0 HG23 VAL A 102 18.036 10.565 12.953 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.634 -11.193 7.355 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.412 -6.398 20.459 1.00 0.00 ZN