USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 685 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 3 GLN : amide:sc= 1.94 K(o=3.2,f=-6.5!) USER MOD Set 1.2: A 77 SER OG : rot 107:sc= 1.22 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.878 K(o=1.6,f=0.6) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.765 K(o=1.6,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0205 (180deg=0) USER MOD Single : A 4 TYR OH : rot -175:sc= 1.33 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.1! C(o=-3.1!,f=-3.7!) USER MOD Single : A 23 MET CE :methyl -156:sc= 0 (180deg=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.852 (180deg=0.801) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.12) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.901 K(o=0.9,f=-3.6!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 55 SER OG : rot 81:sc= 1.3 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.043) USER MOD Single : A 64 SER OG : rot 5:sc= 0.598 USER MOD Single : A 67 SER OG : rot 150:sc= -0.0362 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.202 -0.266 -1.059 1.00 0.00 N ATOM 2 CA MET A 1 1.227 -0.107 -1.432 1.00 0.00 C ATOM 3 C MET A 1 1.864 -1.483 -1.643 1.00 0.00 C ATOM 4 O MET A 1 1.560 -2.427 -0.912 1.00 0.00 O ATOM 5 CB MET A 1 2.032 0.681 -0.373 1.00 0.00 C ATOM 6 CG MET A 1 1.604 2.146 -0.214 1.00 0.00 C ATOM 7 SD MET A 1 1.709 3.136 -1.730 1.00 0.00 S ATOM 8 CE MET A 1 1.178 4.747 -1.091 1.00 0.00 C ATOM 0 H1 MET A 1 -0.804 0.073 -1.837 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.404 -1.270 -0.878 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.400 0.287 -0.201 1.00 0.00 H new ATOM 0 HA MET A 1 1.256 0.468 -2.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.932 0.179 0.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.088 0.650 -0.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.577 2.173 0.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.226 2.611 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.185 5.479 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.170 4.663 -0.686 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.860 5.069 -0.304 1.00 0.00 H new ATOM 20 N LEU A 2 2.764 -1.603 -2.623 1.00 0.00 N ATOM 21 CA LEU A 2 3.544 -2.809 -2.911 1.00 0.00 C ATOM 22 C LEU A 2 4.987 -2.392 -3.202 1.00 0.00 C ATOM 23 O LEU A 2 5.296 -1.196 -3.236 1.00 0.00 O ATOM 24 CB LEU A 2 2.940 -3.567 -4.115 1.00 0.00 C ATOM 25 CG LEU A 2 1.636 -4.335 -3.825 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.093 -4.918 -5.134 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.844 -5.475 -2.817 1.00 0.00 C ATOM 0 H LEU A 2 2.977 -0.835 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 2 3.522 -3.481 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.750 -2.852 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.682 -4.273 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 2 0.928 -3.630 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.170 -5.463 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.892 -4.109 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.830 -5.597 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.897 -5.986 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.572 -6.183 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.211 -5.066 -1.876 1.00 0.00 H new ATOM 39 N GLN A 3 5.861 -3.374 -3.428 1.00 0.00 N ATOM 40 CA GLN A 3 7.252 -3.194 -3.816 1.00 0.00 C ATOM 41 C GLN A 3 7.589 -4.247 -4.878 1.00 0.00 C ATOM 42 O GLN A 3 6.979 -5.321 -4.908 1.00 0.00 O ATOM 43 CB GLN A 3 8.116 -3.302 -2.543 1.00 0.00 C ATOM 44 CG GLN A 3 9.633 -3.101 -2.714 1.00 0.00 C ATOM 45 CD GLN A 3 10.423 -4.415 -2.738 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.172 -5.310 -3.540 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.397 -4.581 -1.861 1.00 0.00 N ATOM 0 H GLN A 3 5.603 -4.357 -3.341 1.00 0.00 H new ATOM 0 HA GLN A 3 7.447 -2.217 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.755 -2.567 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.951 -4.286 -2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.818 -2.558 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.003 -2.478 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.612 -3.842 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.934 -5.448 -1.854 1.00 0.00 H new ATOM 56 N TYR A 4 8.555 -3.958 -5.747 1.00 0.00 N ATOM 57 CA TYR A 4 9.233 -4.974 -6.539 1.00 0.00 C ATOM 58 C TYR A 4 10.720 -4.658 -6.658 1.00 0.00 C ATOM 59 O TYR A 4 11.150 -3.523 -6.426 1.00 0.00 O ATOM 60 CB TYR A 4 8.557 -5.183 -7.908 1.00 0.00 C ATOM 61 CG TYR A 4 8.288 -3.982 -8.801 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.303 -3.061 -9.138 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.021 -3.869 -9.405 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.053 -2.036 -10.065 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.771 -2.861 -10.347 1.00 0.00 C ATOM 66 CZ TYR A 4 7.788 -1.940 -10.681 1.00 0.00 C ATOM 67 OH TYR A 4 7.571 -0.980 -11.614 1.00 0.00 O ATOM 0 H TYR A 4 8.888 -3.010 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 4 9.145 -5.926 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.175 -5.879 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.602 -5.677 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.278 -3.145 -8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.237 -4.563 -9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.828 -1.323 -10.306 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.801 -2.789 -10.817 1.00 0.00 H new ATOM 0 HH TYR A 4 6.630 -0.995 -11.886 1.00 0.00 H new ATOM 77 N ARG A 5 11.486 -5.651 -7.111 1.00 0.00 N ATOM 78 CA ARG A 5 12.836 -5.501 -7.635 1.00 0.00 C ATOM 79 C ARG A 5 12.792 -6.054 -9.055 1.00 0.00 C ATOM 80 O ARG A 5 12.133 -7.068 -9.298 1.00 0.00 O ATOM 81 CB ARG A 5 13.834 -6.258 -6.741 1.00 0.00 C ATOM 82 CG ARG A 5 15.296 -5.851 -7.005 1.00 0.00 C ATOM 83 CD ARG A 5 16.305 -6.796 -6.333 1.00 0.00 C ATOM 84 NE ARG A 5 16.083 -6.944 -4.882 1.00 0.00 N ATOM 85 CZ ARG A 5 16.863 -6.491 -3.889 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.887 -5.669 -4.111 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.607 -6.878 -2.643 1.00 0.00 N ATOM 0 H ARG A 5 11.166 -6.619 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 5 13.169 -4.463 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.592 -6.071 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.724 -7.330 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.477 -5.838 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.458 -4.836 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.245 -7.777 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.314 -6.421 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 5 15.241 -7.448 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.099 -5.364 -5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.459 -5.345 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.828 -7.509 -2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.189 -6.544 -1.875 1.00 0.00 H new ATOM 101 N ILE A 6 13.462 -5.392 -9.991 1.00 0.00 N ATOM 102 CA ILE A 6 13.489 -5.744 -11.403 1.00 0.00 C ATOM 103 C ILE A 6 14.954 -5.692 -11.820 1.00 0.00 C ATOM 104 O ILE A 6 15.667 -4.757 -11.453 1.00 0.00 O ATOM 105 CB ILE A 6 12.574 -4.790 -12.219 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.112 -4.939 -11.736 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.677 -5.037 -13.736 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.050 -4.181 -12.540 1.00 0.00 C ATOM 0 H ILE A 6 14.021 -4.566 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 6 13.093 -6.741 -11.595 1.00 0.00 H new ATOM 0 HB ILE A 6 12.913 -3.769 -12.046 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.855 -5.998 -11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.059 -4.606 -10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.019 -4.346 -14.263 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.705 -4.879 -14.061 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.380 -6.062 -13.959 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.067 -4.363 -12.106 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.267 -3.113 -12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.060 -4.527 -13.574 1.00 0.00 H new ATOM 120 N ILE A 7 15.402 -6.676 -12.592 1.00 0.00 N ATOM 121 CA ILE A 7 16.739 -6.715 -13.171 1.00 0.00 C ATOM 122 C ILE A 7 16.541 -6.518 -14.669 1.00 0.00 C ATOM 123 O ILE A 7 15.584 -7.056 -15.233 1.00 0.00 O ATOM 124 CB ILE A 7 17.451 -8.053 -12.857 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.338 -8.518 -11.385 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.931 -7.979 -13.277 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.833 -7.514 -10.338 1.00 0.00 C ATOM 0 H ILE A 7 14.833 -7.486 -12.838 1.00 0.00 H new ATOM 0 HA ILE A 7 17.381 -5.940 -12.752 1.00 0.00 H new ATOM 0 HB ILE A 7 16.924 -8.807 -13.442 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.294 -8.751 -11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.901 -9.444 -11.270 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.421 -8.926 -13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.996 -7.783 -14.347 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.425 -7.176 -12.730 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.710 -7.937 -9.341 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.887 -7.297 -10.512 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.255 -6.593 -10.415 1.00 0.00 H new ATOM 139 N VAL A 8 17.430 -5.766 -15.314 1.00 0.00 N ATOM 140 CA VAL A 8 17.329 -5.413 -16.723 1.00 0.00 C ATOM 141 C VAL A 8 18.722 -5.579 -17.329 1.00 0.00 C ATOM 142 O VAL A 8 19.721 -5.176 -16.726 1.00 0.00 O ATOM 143 CB VAL A 8 16.792 -3.969 -16.875 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.475 -3.645 -18.339 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.501 -3.729 -16.074 1.00 0.00 C ATOM 0 H VAL A 8 18.257 -5.378 -14.860 1.00 0.00 H new ATOM 0 HA VAL A 8 16.625 -6.059 -17.248 1.00 0.00 H new ATOM 0 HB VAL A 8 17.586 -3.327 -16.493 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.100 -2.624 -18.413 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.381 -3.743 -18.938 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.719 -4.337 -18.709 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.170 -2.701 -16.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.725 -4.412 -16.421 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.692 -3.904 -15.015 1.00 0.00 H new ATOM 155 N ASP A 9 18.786 -6.162 -18.524 1.00 0.00 N ATOM 156 CA ASP A 9 20.011 -6.410 -19.271 1.00 0.00 C ATOM 157 C ASP A 9 19.755 -6.103 -20.748 1.00 0.00 C ATOM 158 O ASP A 9 18.612 -6.183 -21.209 1.00 0.00 O ATOM 159 CB ASP A 9 20.434 -7.872 -19.097 1.00 0.00 C ATOM 160 CG ASP A 9 21.728 -8.170 -19.868 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.708 -7.412 -19.692 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.776 -9.168 -20.620 1.00 0.00 O ATOM 0 H ASP A 9 17.953 -6.486 -19.015 1.00 0.00 H new ATOM 0 HA ASP A 9 20.813 -5.771 -18.900 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.580 -8.088 -18.039 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.638 -8.528 -19.449 1.00 0.00 H new ATOM 167 N GLY A 10 20.801 -5.717 -21.479 1.00 0.00 N ATOM 168 CA GLY A 10 20.721 -5.268 -22.862 1.00 0.00 C ATOM 169 C GLY A 10 21.641 -4.071 -23.073 1.00 0.00 C ATOM 170 O GLY A 10 22.589 -3.866 -22.308 1.00 0.00 O ATOM 0 H GLY A 10 21.752 -5.709 -21.111 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.005 -6.078 -23.534 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.694 -4.996 -23.106 1.00 0.00 H new ATOM 174 N ARG A 11 21.354 -3.249 -24.086 1.00 0.00 N ATOM 175 CA ARG A 11 21.975 -1.935 -24.243 1.00 0.00 C ATOM 176 C ARG A 11 21.351 -1.007 -23.201 1.00 0.00 C ATOM 177 O ARG A 11 20.471 -0.206 -23.520 1.00 0.00 O ATOM 178 CB ARG A 11 21.817 -1.430 -25.692 1.00 0.00 C ATOM 179 CG ARG A 11 22.618 -0.140 -25.950 1.00 0.00 C ATOM 180 CD ARG A 11 22.427 0.389 -27.377 1.00 0.00 C ATOM 181 NE ARG A 11 23.019 -0.503 -28.393 1.00 0.00 N ATOM 182 CZ ARG A 11 22.900 -0.361 -29.720 1.00 0.00 C ATOM 183 NH1 ARG A 11 22.193 0.642 -30.236 1.00 0.00 N ATOM 184 NH2 ARG A 11 23.495 -1.230 -30.532 1.00 0.00 N ATOM 0 H ARG A 11 20.684 -3.478 -24.820 1.00 0.00 H new ATOM 0 HA ARG A 11 23.050 -1.976 -24.070 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.148 -2.205 -26.383 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.762 -1.248 -25.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.310 0.625 -25.237 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.677 -0.331 -25.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 21.362 0.507 -27.578 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.879 1.378 -27.458 1.00 0.00 H new ATOM 0 HE ARG A 11 23.566 -1.296 -28.056 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.735 1.313 -29.619 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.110 0.740 -31.248 1.00 0.00 H new ATOM 0 HH21 ARG A 11 24.039 -2.001 -30.144 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.407 -1.126 -31.543 1.00 0.00 H new ATOM 198 N VAL A 12 21.785 -1.145 -21.951 1.00 0.00 N ATOM 199 CA VAL A 12 21.308 -0.355 -20.818 1.00 0.00 C ATOM 200 C VAL A 12 22.475 0.136 -19.946 1.00 0.00 C ATOM 201 O VAL A 12 22.243 0.836 -18.965 1.00 0.00 O ATOM 202 CB VAL A 12 20.244 -1.145 -20.016 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.943 -1.326 -20.814 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.720 -2.530 -19.548 1.00 0.00 C ATOM 0 H VAL A 12 22.497 -1.827 -21.691 1.00 0.00 H new ATOM 0 HA VAL A 12 20.819 0.542 -21.198 1.00 0.00 H new ATOM 0 HB VAL A 12 20.063 -0.532 -19.133 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.224 -1.885 -20.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.528 -0.349 -21.060 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.153 -1.873 -21.733 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.920 -3.021 -18.994 1.00 0.00 H new ATOM 0 HG22 VAL A 12 20.986 -3.135 -20.415 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.592 -2.417 -18.903 1.00 0.00 H new ATOM 214 N GLN A 13 23.729 -0.194 -20.287 1.00 0.00 N ATOM 215 CA GLN A 13 24.912 0.124 -19.475 1.00 0.00 C ATOM 216 C GLN A 13 25.958 0.909 -20.274 1.00 0.00 C ATOM 217 O GLN A 13 26.711 1.686 -19.686 1.00 0.00 O ATOM 218 CB GLN A 13 25.506 -1.181 -18.918 1.00 0.00 C ATOM 219 CG GLN A 13 24.651 -1.792 -17.796 1.00 0.00 C ATOM 220 CD GLN A 13 25.055 -1.291 -16.409 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.014 -0.100 -16.108 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.459 -2.198 -15.541 1.00 0.00 N ATOM 0 H GLN A 13 23.953 -0.696 -21.146 1.00 0.00 H new ATOM 0 HA GLN A 13 24.606 0.765 -18.649 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.606 -1.904 -19.727 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.509 -0.986 -18.539 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.602 -1.554 -17.973 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.741 -2.878 -17.826 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.487 -3.182 -15.807 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.744 -1.915 -14.603 1.00 0.00 H new ATOM 231 N GLY A 14 25.956 0.794 -21.608 1.00 0.00 N ATOM 232 CA GLY A 14 26.703 1.684 -22.499 1.00 0.00 C ATOM 233 C GLY A 14 25.938 2.982 -22.787 1.00 0.00 C ATOM 234 O GLY A 14 26.378 3.782 -23.614 1.00 0.00 O ATOM 0 H GLY A 14 25.430 0.073 -22.102 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.666 1.923 -22.048 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.909 1.169 -23.437 1.00 0.00 H new ATOM 238 N VAL A 15 24.791 3.184 -22.131 1.00 0.00 N ATOM 239 CA VAL A 15 23.867 4.299 -22.301 1.00 0.00 C ATOM 240 C VAL A 15 23.314 4.652 -20.916 1.00 0.00 C ATOM 241 O VAL A 15 23.386 3.836 -19.988 1.00 0.00 O ATOM 242 CB VAL A 15 22.742 3.920 -23.295 1.00 0.00 C ATOM 243 CG1 VAL A 15 23.265 3.770 -24.732 1.00 0.00 C ATOM 244 CG2 VAL A 15 22.012 2.624 -22.902 1.00 0.00 C ATOM 0 H VAL A 15 24.466 2.527 -21.421 1.00 0.00 H new ATOM 0 HA VAL A 15 24.373 5.168 -22.723 1.00 0.00 H new ATOM 0 HB VAL A 15 22.036 4.749 -23.250 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.440 3.504 -25.393 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.703 4.713 -25.060 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.023 2.987 -24.764 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.234 2.408 -23.635 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.724 1.799 -22.875 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.560 2.745 -21.918 1.00 0.00 H new ATOM 254 N GLY A 16 22.748 5.849 -20.761 1.00 0.00 N ATOM 255 CA GLY A 16 22.330 6.409 -19.480 1.00 0.00 C ATOM 256 C GLY A 16 20.971 5.902 -19.005 1.00 0.00 C ATOM 257 O GLY A 16 20.171 6.699 -18.518 1.00 0.00 O ATOM 0 H GLY A 16 22.563 6.472 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.081 6.171 -18.727 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.295 7.495 -19.562 1.00 0.00 H new ATOM 261 N PHE A 17 20.676 4.604 -19.156 1.00 0.00 N ATOM 262 CA PHE A 17 19.363 4.034 -18.839 1.00 0.00 C ATOM 263 C PHE A 17 18.906 4.387 -17.418 1.00 0.00 C ATOM 264 O PHE A 17 17.736 4.701 -17.209 1.00 0.00 O ATOM 265 CB PHE A 17 19.382 2.515 -19.041 1.00 0.00 C ATOM 266 CG PHE A 17 18.045 1.833 -18.807 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.894 2.277 -19.486 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.941 0.764 -17.894 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.654 1.661 -19.251 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.707 0.127 -17.685 1.00 0.00 C ATOM 271 CZ PHE A 17 15.561 0.570 -18.369 1.00 0.00 C ATOM 0 H PHE A 17 21.346 3.918 -19.503 1.00 0.00 H new ATOM 0 HA PHE A 17 18.640 4.475 -19.525 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.712 2.300 -20.057 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.120 2.080 -18.367 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.965 3.093 -20.189 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.815 0.433 -17.352 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.769 2.027 -19.750 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.638 -0.704 -16.998 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.613 0.074 -18.217 1.00 0.00 H new ATOM 281 N ARG A 18 19.828 4.413 -16.448 1.00 0.00 N ATOM 282 CA ARG A 18 19.532 4.780 -15.058 1.00 0.00 C ATOM 283 C ARG A 18 18.837 6.139 -14.965 1.00 0.00 C ATOM 284 O ARG A 18 17.937 6.287 -14.142 1.00 0.00 O ATOM 285 CB ARG A 18 20.828 4.763 -14.225 1.00 0.00 C ATOM 286 CG ARG A 18 21.331 3.328 -13.957 1.00 0.00 C ATOM 287 CD ARG A 18 22.861 3.175 -13.873 1.00 0.00 C ATOM 288 NE ARG A 18 23.576 3.695 -15.058 1.00 0.00 N ATOM 289 CZ ARG A 18 23.479 3.259 -16.322 1.00 0.00 C ATOM 290 NH1 ARG A 18 22.716 2.213 -16.618 1.00 0.00 N ATOM 291 NH2 ARG A 18 24.118 3.904 -17.289 1.00 0.00 N ATOM 0 H ARG A 18 20.808 4.178 -16.607 1.00 0.00 H new ATOM 0 HA ARG A 18 18.840 4.042 -14.652 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.601 5.325 -14.748 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.654 5.268 -13.275 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.895 2.976 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.959 2.676 -14.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.221 3.695 -12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.105 2.120 -13.746 1.00 0.00 H new ATOM 0 HE ARG A 18 24.215 4.473 -14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.198 1.735 -15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.648 1.888 -17.582 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.679 4.727 -17.069 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.048 3.577 -18.253 1.00 0.00 H new ATOM 305 N TYR A 19 19.200 7.117 -15.801 1.00 0.00 N ATOM 306 CA TYR A 19 18.551 8.422 -15.792 1.00 0.00 C ATOM 307 C TYR A 19 17.118 8.317 -16.316 1.00 0.00 C ATOM 308 O TYR A 19 16.208 8.880 -15.708 1.00 0.00 O ATOM 309 CB TYR A 19 19.363 9.427 -16.620 1.00 0.00 C ATOM 310 CG TYR A 19 18.759 10.821 -16.639 1.00 0.00 C ATOM 311 CD1 TYR A 19 18.844 11.640 -15.498 1.00 0.00 C ATOM 312 CD2 TYR A 19 18.091 11.288 -17.789 1.00 0.00 C ATOM 313 CE1 TYR A 19 18.273 12.926 -15.504 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.522 12.574 -17.805 1.00 0.00 C ATOM 315 CZ TYR A 19 17.613 13.401 -16.660 1.00 0.00 C ATOM 316 OH TYR A 19 17.077 14.654 -16.662 1.00 0.00 O ATOM 0 H TYR A 19 19.943 7.024 -16.493 1.00 0.00 H new ATOM 0 HA TYR A 19 18.508 8.780 -14.763 1.00 0.00 H new ATOM 0 HB2 TYR A 19 20.375 9.483 -16.219 1.00 0.00 H new ATOM 0 HB3 TYR A 19 19.445 9.061 -17.643 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.350 11.280 -14.614 1.00 0.00 H new ATOM 0 HD2 TYR A 19 18.016 10.656 -18.661 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.339 13.550 -14.625 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.016 12.930 -18.690 1.00 0.00 H new ATOM 0 HH TYR A 19 16.659 14.830 -17.531 1.00 0.00 H new ATOM 326 N PHE A 20 16.883 7.568 -17.399 1.00 0.00 N ATOM 327 CA PHE A 20 15.534 7.372 -17.921 1.00 0.00 C ATOM 328 C PHE A 20 14.651 6.715 -16.861 1.00 0.00 C ATOM 329 O PHE A 20 13.551 7.199 -16.594 1.00 0.00 O ATOM 330 CB PHE A 20 15.549 6.550 -19.217 1.00 0.00 C ATOM 331 CG PHE A 20 16.164 7.275 -20.402 1.00 0.00 C ATOM 332 CD1 PHE A 20 15.372 8.127 -21.197 1.00 0.00 C ATOM 333 CD2 PHE A 20 17.528 7.112 -20.708 1.00 0.00 C ATOM 334 CE1 PHE A 20 15.942 8.810 -22.286 1.00 0.00 C ATOM 335 CE2 PHE A 20 18.099 7.796 -21.796 1.00 0.00 C ATOM 336 CZ PHE A 20 17.308 8.650 -22.581 1.00 0.00 C ATOM 0 H PHE A 20 17.612 7.089 -17.928 1.00 0.00 H new ATOM 0 HA PHE A 20 15.116 8.349 -18.164 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.101 5.626 -19.043 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.527 6.268 -19.468 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.324 8.256 -20.969 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.140 6.458 -20.104 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.330 9.458 -22.896 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.146 7.664 -22.028 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.748 9.184 -23.411 1.00 0.00 H new ATOM 346 N VAL A 21 15.150 5.665 -16.203 1.00 0.00 N ATOM 347 CA VAL A 21 14.447 5.004 -15.109 1.00 0.00 C ATOM 348 C VAL A 21 14.177 6.008 -13.977 1.00 0.00 C ATOM 349 O VAL A 21 13.060 6.047 -13.463 1.00 0.00 O ATOM 350 CB VAL A 21 15.262 3.776 -14.649 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.623 3.069 -13.451 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.386 2.724 -15.762 1.00 0.00 C ATOM 0 H VAL A 21 16.057 5.251 -16.418 1.00 0.00 H new ATOM 0 HA VAL A 21 13.474 4.641 -15.441 1.00 0.00 H new ATOM 0 HB VAL A 21 16.240 4.173 -14.378 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.234 2.212 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.556 3.762 -12.613 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.623 2.728 -13.720 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.966 1.876 -15.398 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.392 2.385 -16.054 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.888 3.164 -16.624 1.00 0.00 H new ATOM 362 N GLN A 22 15.158 6.847 -13.612 1.00 0.00 N ATOM 363 CA GLN A 22 14.996 7.846 -12.560 1.00 0.00 C ATOM 364 C GLN A 22 13.813 8.761 -12.863 1.00 0.00 C ATOM 365 O GLN A 22 12.976 9.006 -11.996 1.00 0.00 O ATOM 366 CB GLN A 22 16.295 8.669 -12.390 1.00 0.00 C ATOM 367 CG GLN A 22 16.312 9.517 -11.100 1.00 0.00 C ATOM 368 CD GLN A 22 16.588 8.719 -9.826 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.618 9.271 -8.734 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.806 7.417 -9.941 1.00 0.00 N ATOM 0 H GLN A 22 16.083 6.847 -14.041 1.00 0.00 H new ATOM 0 HA GLN A 22 14.793 7.328 -11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.149 7.991 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.417 9.326 -13.251 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.070 10.294 -11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.351 10.021 -10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.777 6.974 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.003 6.858 -9.111 1.00 0.00 H new ATOM 379 N MET A 23 13.742 9.262 -14.092 1.00 0.00 N ATOM 380 CA MET A 23 12.748 10.251 -14.475 1.00 0.00 C ATOM 381 C MET A 23 11.370 9.604 -14.613 1.00 0.00 C ATOM 382 O MET A 23 10.373 10.204 -14.209 1.00 0.00 O ATOM 383 CB MET A 23 13.217 10.947 -15.757 1.00 0.00 C ATOM 384 CG MET A 23 14.523 11.726 -15.512 1.00 0.00 C ATOM 385 SD MET A 23 14.364 13.215 -14.481 1.00 0.00 S ATOM 386 CE MET A 23 15.017 12.600 -12.903 1.00 0.00 C ATOM 0 H MET A 23 14.372 8.993 -14.847 1.00 0.00 H new ATOM 0 HA MET A 23 12.645 11.010 -13.700 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.372 10.207 -16.542 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.443 11.628 -16.110 1.00 0.00 H new ATOM 0 HG2 MET A 23 15.243 11.056 -15.043 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.939 12.016 -16.477 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.617 13.199 -12.085 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.722 11.559 -12.768 1.00 0.00 H new ATOM 0 HE3 MET A 23 16.105 12.672 -12.907 1.00 0.00 H new ATOM 396 N GLU A 24 11.295 8.364 -15.106 1.00 0.00 N ATOM 397 CA GLU A 24 10.035 7.636 -15.200 1.00 0.00 C ATOM 398 C GLU A 24 9.495 7.257 -13.814 1.00 0.00 C ATOM 399 O GLU A 24 8.277 7.219 -13.634 1.00 0.00 O ATOM 400 CB GLU A 24 10.193 6.404 -16.110 1.00 0.00 C ATOM 401 CG GLU A 24 10.328 6.763 -17.601 1.00 0.00 C ATOM 402 CD GLU A 24 9.059 7.433 -18.147 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.117 6.726 -18.569 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.957 8.681 -18.113 1.00 0.00 O ATOM 0 H GLU A 24 12.103 7.843 -15.448 1.00 0.00 H new ATOM 0 HA GLU A 24 9.295 8.295 -15.653 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.072 5.840 -15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.331 5.750 -15.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.178 7.431 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.537 5.860 -18.174 1.00 0.00 H new ATOM 411 N ALA A 25 10.362 7.028 -12.821 1.00 0.00 N ATOM 412 CA ALA A 25 9.931 6.826 -11.441 1.00 0.00 C ATOM 413 C ALA A 25 9.457 8.146 -10.833 1.00 0.00 C ATOM 414 O ALA A 25 8.427 8.183 -10.156 1.00 0.00 O ATOM 415 CB ALA A 25 11.091 6.280 -10.608 1.00 0.00 C ATOM 0 H ALA A 25 11.372 6.979 -12.953 1.00 0.00 H new ATOM 0 HA ALA A 25 9.107 6.112 -11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.762 6.132 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.421 5.328 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.918 6.990 -10.626 1.00 0.00 H new ATOM 421 N ASP A 26 10.206 9.227 -11.070 1.00 0.00 N ATOM 422 CA ASP A 26 9.935 10.543 -10.502 1.00 0.00 C ATOM 423 C ASP A 26 8.614 11.111 -11.009 1.00 0.00 C ATOM 424 O ASP A 26 7.837 11.633 -10.212 1.00 0.00 O ATOM 425 CB ASP A 26 11.072 11.520 -10.816 1.00 0.00 C ATOM 426 CG ASP A 26 10.718 12.931 -10.320 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.649 13.142 -9.089 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.512 13.837 -11.158 1.00 0.00 O ATOM 0 H ASP A 26 11.029 9.208 -11.672 1.00 0.00 H new ATOM 0 HA ASP A 26 9.863 10.417 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.993 11.181 -10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.256 11.541 -11.890 1.00 0.00 H new ATOM 433 N LYS A 27 8.289 10.956 -12.299 1.00 0.00 N ATOM 434 CA LYS A 27 7.002 11.422 -12.820 1.00 0.00 C ATOM 435 C LYS A 27 5.816 10.628 -12.255 1.00 0.00 C ATOM 436 O LYS A 27 4.684 11.104 -12.339 1.00 0.00 O ATOM 437 CB LYS A 27 7.028 11.531 -14.357 1.00 0.00 C ATOM 438 CG LYS A 27 7.057 10.209 -15.143 1.00 0.00 C ATOM 439 CD LYS A 27 5.661 9.686 -15.515 1.00 0.00 C ATOM 440 CE LYS A 27 5.734 8.391 -16.339 1.00 0.00 C ATOM 441 NZ LYS A 27 6.220 8.616 -17.721 1.00 0.00 N ATOM 0 H LYS A 27 8.894 10.516 -12.993 1.00 0.00 H new ATOM 0 HA LYS A 27 6.839 12.437 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.151 12.096 -14.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.903 12.116 -14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.638 10.350 -16.054 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.573 9.454 -14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.087 9.506 -14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.128 10.448 -16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.394 7.683 -15.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.745 7.933 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.298 7.704 -18.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.551 9.229 -18.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.153 9.074 -17.691 1.00 0.00 H new ATOM 455 N ARG A 28 6.050 9.453 -11.651 1.00 0.00 N ATOM 456 CA ARG A 28 5.040 8.703 -10.894 1.00 0.00 C ATOM 457 C ARG A 28 5.200 8.895 -9.378 1.00 0.00 C ATOM 458 O ARG A 28 4.418 8.318 -8.621 1.00 0.00 O ATOM 459 CB ARG A 28 5.120 7.204 -11.254 1.00 0.00 C ATOM 460 CG ARG A 28 4.774 6.840 -12.707 1.00 0.00 C ATOM 461 CD ARG A 28 3.439 7.396 -13.231 1.00 0.00 C ATOM 462 NE ARG A 28 2.283 7.042 -12.375 1.00 0.00 N ATOM 463 CZ ARG A 28 1.204 6.327 -12.728 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.069 5.855 -13.962 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.262 6.067 -11.828 1.00 0.00 N ATOM 0 H ARG A 28 6.959 8.992 -11.676 1.00 0.00 H new ATOM 0 HA ARG A 28 4.060 9.092 -11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.130 6.854 -11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.448 6.656 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.575 7.199 -13.353 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.755 5.754 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.509 8.481 -13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.266 7.018 -14.239 1.00 0.00 H new ATOM 0 HE ARG A 28 2.310 7.378 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.792 6.034 -14.659 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.242 5.313 -14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.361 6.411 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.560 5.524 -12.092 1.00 0.00 H new ATOM 479 N LYS A 29 6.183 9.682 -8.923 1.00 0.00 N ATOM 480 CA LYS A 29 6.611 9.816 -7.528 1.00 0.00 C ATOM 481 C LYS A 29 6.675 8.461 -6.810 1.00 0.00 C ATOM 482 O LYS A 29 6.236 8.332 -5.664 1.00 0.00 O ATOM 483 CB LYS A 29 5.777 10.894 -6.800 1.00 0.00 C ATOM 484 CG LYS A 29 5.895 12.302 -7.416 1.00 0.00 C ATOM 485 CD LYS A 29 7.295 12.920 -7.255 1.00 0.00 C ATOM 486 CE LYS A 29 7.385 14.239 -8.030 1.00 0.00 C ATOM 487 NZ LYS A 29 8.743 14.829 -7.957 1.00 0.00 N ATOM 0 H LYS A 29 6.728 10.272 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 29 7.640 10.176 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.729 10.593 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.090 10.938 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.648 12.249 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.160 12.958 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.504 13.095 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.051 12.224 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.119 14.067 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.659 14.946 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.738 15.767 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.028 14.923 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.417 14.211 -8.453 1.00 0.00 H new ATOM 501 N LEU A 30 7.224 7.446 -7.486 1.00 0.00 N ATOM 502 CA LEU A 30 7.648 6.211 -6.824 1.00 0.00 C ATOM 503 C LEU A 30 8.842 6.522 -5.913 1.00 0.00 C ATOM 504 O LEU A 30 9.456 7.587 -6.031 1.00 0.00 O ATOM 505 CB LEU A 30 8.006 5.137 -7.868 1.00 0.00 C ATOM 506 CG LEU A 30 6.792 4.600 -8.653 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.271 3.656 -9.753 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.793 3.845 -7.770 1.00 0.00 C ATOM 0 H LEU A 30 7.385 7.457 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 30 6.832 5.816 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.726 5.554 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.498 4.305 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 30 6.281 5.469 -9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.412 3.277 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.932 4.194 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.811 2.821 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.962 3.492 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.289 2.993 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.416 4.512 -6.995 1.00 0.00 H new ATOM 520 N ALA A 31 9.198 5.591 -5.027 1.00 0.00 N ATOM 521 CA ALA A 31 10.369 5.696 -4.158 1.00 0.00 C ATOM 522 C ALA A 31 11.148 4.382 -4.215 1.00 0.00 C ATOM 523 O ALA A 31 10.559 3.344 -4.519 1.00 0.00 O ATOM 524 CB ALA A 31 9.925 6.044 -2.733 1.00 0.00 C ATOM 0 H ALA A 31 8.671 4.728 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 31 11.028 6.495 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.800 6.121 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.394 6.996 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.265 5.263 -2.357 1.00 0.00 H new ATOM 530 N GLY A 32 12.466 4.419 -3.991 1.00 0.00 N ATOM 531 CA GLY A 32 13.342 3.273 -4.230 1.00 0.00 C ATOM 532 C GLY A 32 14.653 3.694 -4.896 1.00 0.00 C ATOM 533 O GLY A 32 15.080 4.840 -4.739 1.00 0.00 O ATOM 0 H GLY A 32 12.952 5.244 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.557 2.776 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.829 2.548 -4.862 1.00 0.00 H new ATOM 537 N TRP A 33 15.292 2.792 -5.646 1.00 0.00 N ATOM 538 CA TRP A 33 16.553 3.057 -6.328 1.00 0.00 C ATOM 539 C TRP A 33 16.587 2.473 -7.738 1.00 0.00 C ATOM 540 O TRP A 33 15.860 1.532 -8.064 1.00 0.00 O ATOM 541 CB TRP A 33 17.745 2.532 -5.502 1.00 0.00 C ATOM 542 CG TRP A 33 17.849 1.054 -5.205 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.966 0.041 -6.104 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.941 0.411 -3.895 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.105 -1.167 -5.445 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.125 -0.992 -4.083 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.911 0.873 -2.560 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.284 -1.882 -3.013 1.00 0.00 C ATOM 549 CZ3 TRP A 33 18.060 -0.013 -1.475 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.249 -1.389 -1.698 1.00 0.00 C ATOM 0 H TRP A 33 14.940 1.846 -5.796 1.00 0.00 H new ATOM 0 HA TRP A 33 16.637 4.140 -6.423 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.657 2.826 -6.021 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.738 3.058 -4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.952 0.162 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.183 -2.071 -5.911 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.771 1.926 -2.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.432 -2.936 -3.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 18.029 0.367 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.367 -2.063 -0.862 1.00 0.00 H new ATOM 561 N VAL A 34 17.543 2.951 -8.531 1.00 0.00 N ATOM 562 CA VAL A 34 18.100 2.218 -9.660 1.00 0.00 C ATOM 563 C VAL A 34 19.622 2.232 -9.494 1.00 0.00 C ATOM 564 O VAL A 34 20.184 3.219 -9.007 1.00 0.00 O ATOM 565 CB VAL A 34 17.582 2.799 -10.993 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.978 4.266 -11.221 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.037 1.956 -12.192 1.00 0.00 C ATOM 0 H VAL A 34 17.958 3.874 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 34 17.777 1.177 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 34 16.496 2.764 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.579 4.606 -12.177 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.571 4.882 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 19.065 4.352 -11.230 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.653 2.396 -13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.126 1.932 -12.228 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.655 0.940 -12.088 1.00 0.00 H new ATOM 577 N LYS A 35 20.293 1.134 -9.854 1.00 0.00 N ATOM 578 CA LYS A 35 21.733 0.987 -9.677 1.00 0.00 C ATOM 579 C LYS A 35 22.335 0.027 -10.689 1.00 0.00 C ATOM 580 O LYS A 35 21.637 -0.817 -11.254 1.00 0.00 O ATOM 581 CB LYS A 35 22.041 0.520 -8.240 1.00 0.00 C ATOM 582 CG LYS A 35 21.488 -0.862 -7.854 1.00 0.00 C ATOM 583 CD LYS A 35 21.923 -1.215 -6.424 1.00 0.00 C ATOM 584 CE LYS A 35 21.415 -2.609 -6.039 1.00 0.00 C ATOM 585 NZ LYS A 35 21.874 -3.032 -4.693 1.00 0.00 N ATOM 0 H LYS A 35 19.847 0.321 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 35 22.191 1.962 -9.846 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.123 0.508 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.641 1.258 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.400 -0.861 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.851 -1.617 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.010 -1.184 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.534 -0.474 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.325 -2.615 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.756 -3.333 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.503 -3.980 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.914 -3.054 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.528 -2.358 -3.980 1.00 0.00 H new ATOM 599 N ASN A 36 23.653 0.114 -10.860 1.00 0.00 N ATOM 600 CA ASN A 36 24.449 -0.993 -11.378 1.00 0.00 C ATOM 601 C ASN A 36 24.403 -2.124 -10.348 1.00 0.00 C ATOM 602 O ASN A 36 24.696 -1.884 -9.174 1.00 0.00 O ATOM 603 CB ASN A 36 25.901 -0.531 -11.579 1.00 0.00 C ATOM 604 CG ASN A 36 26.796 -1.713 -11.927 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.717 -2.241 -13.029 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.644 -2.157 -11.015 1.00 0.00 N ATOM 0 H ASN A 36 24.195 0.950 -10.644 1.00 0.00 H new ATOM 0 HA ASN A 36 24.055 -1.335 -12.335 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.945 0.212 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.264 -0.048 -10.672 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.247 -2.953 -11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.695 -1.704 -10.103 1.00 0.00 H new ATOM 668 N ARG A 41 24.446 -6.211 -14.524 1.00 0.00 N ATOM 669 CA ARG A 41 23.116 -5.829 -14.998 1.00 0.00 C ATOM 670 C ARG A 41 22.726 -4.494 -14.361 1.00 0.00 C ATOM 671 O ARG A 41 23.428 -3.989 -13.481 1.00 0.00 O ATOM 672 CB ARG A 41 22.071 -6.916 -14.670 1.00 0.00 C ATOM 673 CG ARG A 41 22.308 -8.340 -15.212 1.00 0.00 C ATOM 674 CD ARG A 41 23.014 -8.456 -16.572 1.00 0.00 C ATOM 675 NE ARG A 41 24.461 -8.674 -16.416 1.00 0.00 N ATOM 676 CZ ARG A 41 25.430 -8.292 -17.254 1.00 0.00 C ATOM 677 NH1 ARG A 41 25.153 -7.740 -18.434 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.697 -8.466 -16.891 1.00 0.00 N ATOM 0 HA ARG A 41 23.142 -5.723 -16.083 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.988 -6.982 -13.585 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.106 -6.574 -15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.895 -8.890 -14.477 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.342 -8.840 -15.287 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.581 -9.280 -17.138 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.843 -7.548 -17.150 1.00 0.00 H new ATOM 0 HE ARG A 41 24.757 -9.171 -15.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.183 -7.600 -18.716 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.911 -7.457 -19.055 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.916 -8.885 -15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.450 -8.181 -17.517 1.00 0.00 H new ATOM 692 N VAL A 42 21.582 -3.946 -14.755 1.00 0.00 N ATOM 693 CA VAL A 42 20.959 -2.843 -14.036 1.00 0.00 C ATOM 694 C VAL A 42 19.934 -3.486 -13.105 1.00 0.00 C ATOM 695 O VAL A 42 19.294 -4.477 -13.468 1.00 0.00 O ATOM 696 CB VAL A 42 20.334 -1.831 -15.021 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.745 -0.611 -14.290 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.386 -1.318 -16.017 1.00 0.00 C ATOM 0 H VAL A 42 21.063 -4.253 -15.578 1.00 0.00 H new ATOM 0 HA VAL A 42 21.678 -2.263 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 42 19.538 -2.361 -15.544 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.315 0.077 -15.018 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.968 -0.940 -13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.534 -0.104 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.923 -0.607 -16.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.193 -0.826 -15.473 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.789 -2.157 -16.584 1.00 0.00 H new ATOM 708 N GLU A 43 19.757 -2.915 -11.918 1.00 0.00 N ATOM 709 CA GLU A 43 18.723 -3.293 -10.974 1.00 0.00 C ATOM 710 C GLU A 43 17.910 -2.042 -10.683 1.00 0.00 C ATOM 711 O GLU A 43 18.466 -0.966 -10.466 1.00 0.00 O ATOM 712 CB GLU A 43 19.360 -3.852 -9.695 1.00 0.00 C ATOM 713 CG GLU A 43 18.327 -4.095 -8.581 1.00 0.00 C ATOM 714 CD GLU A 43 18.972 -4.521 -7.266 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.869 -5.392 -7.271 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.544 -3.995 -6.213 1.00 0.00 O ATOM 0 H GLU A 43 20.348 -2.155 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 43 18.079 -4.073 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.869 -4.788 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.119 -3.157 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.750 -3.184 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.625 -4.864 -8.903 1.00 0.00 H new ATOM 723 N ILE A 44 16.597 -2.211 -10.634 1.00 0.00 N ATOM 724 CA ILE A 44 15.616 -1.222 -10.248 1.00 0.00 C ATOM 725 C ILE A 44 14.915 -1.841 -9.036 1.00 0.00 C ATOM 726 O ILE A 44 14.661 -3.047 -9.016 1.00 0.00 O ATOM 727 CB ILE A 44 14.635 -1.010 -11.423 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.337 -0.824 -12.793 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.711 0.187 -11.140 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.392 -1.103 -13.953 1.00 0.00 C ATOM 0 H ILE A 44 16.166 -3.102 -10.880 1.00 0.00 H new ATOM 0 HA ILE A 44 16.040 -0.247 -10.007 1.00 0.00 H new ATOM 0 HB ILE A 44 14.049 -1.926 -11.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.718 0.194 -12.871 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.196 -1.492 -12.855 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.026 0.324 -11.977 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.140 -0.001 -10.231 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.311 1.088 -11.012 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.921 -0.962 -14.895 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.031 -2.130 -13.890 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.546 -0.418 -13.906 1.00 0.00 H new ATOM 742 N LEU A 45 14.569 -1.045 -8.032 1.00 0.00 N ATOM 743 CA LEU A 45 13.778 -1.488 -6.896 1.00 0.00 C ATOM 744 C LEU A 45 12.880 -0.313 -6.562 1.00 0.00 C ATOM 745 O LEU A 45 13.393 0.779 -6.329 1.00 0.00 O ATOM 746 CB LEU A 45 14.713 -1.884 -5.738 1.00 0.00 C ATOM 747 CG LEU A 45 14.040 -2.719 -4.633 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.103 -3.166 -3.627 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.945 -1.961 -3.875 1.00 0.00 C ATOM 0 H LEU A 45 14.834 -0.061 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 45 13.176 -2.373 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.553 -2.449 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.123 -0.978 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 45 13.565 -3.567 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.634 -3.758 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.855 -3.769 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.578 -2.290 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.515 -2.610 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.375 -1.079 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.165 -1.654 -4.572 1.00 0.00 H new ATOM 761 N ALA A 46 11.562 -0.504 -6.579 1.00 0.00 N ATOM 762 CA ALA A 46 10.604 0.568 -6.375 1.00 0.00 C ATOM 763 C ALA A 46 9.468 0.082 -5.489 1.00 0.00 C ATOM 764 O ALA A 46 9.072 -1.081 -5.564 1.00 0.00 O ATOM 765 CB ALA A 46 10.053 1.044 -7.726 1.00 0.00 C ATOM 0 H ALA A 46 11.131 -1.415 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 46 11.103 1.404 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.335 1.848 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.873 1.409 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.559 0.214 -8.231 1.00 0.00 H new ATOM 771 N GLU A 47 8.910 0.997 -4.704 1.00 0.00 N ATOM 772 CA GLU A 47 7.691 0.819 -3.935 1.00 0.00 C ATOM 773 C GLU A 47 6.704 1.924 -4.314 1.00 0.00 C ATOM 774 O GLU A 47 7.116 3.019 -4.720 1.00 0.00 O ATOM 775 CB GLU A 47 8.010 0.817 -2.428 1.00 0.00 C ATOM 776 CG GLU A 47 8.305 2.229 -1.884 1.00 0.00 C ATOM 777 CD GLU A 47 8.887 2.227 -0.469 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.473 1.394 0.364 1.00 0.00 O ATOM 779 OE2 GLU A 47 9.765 3.067 -0.184 1.00 0.00 O ATOM 0 H GLU A 47 9.317 1.925 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 47 7.234 -0.143 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.169 0.390 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.870 0.173 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.003 2.730 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.384 2.812 -1.889 1.00 0.00 H new ATOM 786 N GLY A 48 5.407 1.649 -4.167 1.00 0.00 N ATOM 787 CA GLY A 48 4.360 2.620 -4.448 1.00 0.00 C ATOM 788 C GLY A 48 2.996 1.965 -4.664 1.00 0.00 C ATOM 789 O GLY A 48 2.836 0.771 -4.380 1.00 0.00 O ATOM 0 H GLY A 48 5.057 0.745 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.293 3.327 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.629 3.193 -5.336 1.00 0.00 H new ATOM 793 N PRO A 49 2.000 2.741 -5.127 1.00 0.00 N ATOM 794 CA PRO A 49 0.705 2.232 -5.565 1.00 0.00 C ATOM 795 C PRO A 49 0.855 1.184 -6.670 1.00 0.00 C ATOM 796 O PRO A 49 1.758 1.280 -7.505 1.00 0.00 O ATOM 797 CB PRO A 49 -0.074 3.452 -6.075 1.00 0.00 C ATOM 798 CG PRO A 49 0.592 4.634 -5.376 1.00 0.00 C ATOM 799 CD PRO A 49 2.047 4.191 -5.264 1.00 0.00 C ATOM 0 HA PRO A 49 0.186 1.734 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.010 3.542 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.132 3.384 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.493 5.553 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.152 4.824 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.616 4.484 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.533 4.651 -4.404 1.00 0.00 H new ATOM 807 N GLU A 50 -0.072 0.225 -6.726 1.00 0.00 N ATOM 808 CA GLU A 50 -0.050 -0.849 -7.716 1.00 0.00 C ATOM 809 C GLU A 50 -0.109 -0.281 -9.140 1.00 0.00 C ATOM 810 O GLU A 50 0.673 -0.697 -9.990 1.00 0.00 O ATOM 811 CB GLU A 50 -1.208 -1.819 -7.433 1.00 0.00 C ATOM 812 CG GLU A 50 -1.218 -3.027 -8.381 1.00 0.00 C ATOM 813 CD GLU A 50 -2.375 -3.990 -8.058 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.524 -3.735 -8.489 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.151 -5.020 -7.384 1.00 0.00 O ATOM 0 H GLU A 50 -0.861 0.173 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 50 0.887 -1.400 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.138 -2.171 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.154 -1.285 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.308 -2.682 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.269 -3.558 -8.305 1.00 0.00 H new ATOM 822 N ASN A 51 -0.985 0.699 -9.402 1.00 0.00 N ATOM 823 CA ASN A 51 -1.110 1.293 -10.737 1.00 0.00 C ATOM 824 C ASN A 51 0.186 1.981 -11.161 1.00 0.00 C ATOM 825 O ASN A 51 0.612 1.837 -12.308 1.00 0.00 O ATOM 826 CB ASN A 51 -2.265 2.306 -10.783 1.00 0.00 C ATOM 827 CG ASN A 51 -2.287 3.042 -12.122 1.00 0.00 C ATOM 828 OD1 ASN A 51 -1.760 4.145 -12.243 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.865 2.450 -13.154 1.00 0.00 N ATOM 0 H ASN A 51 -1.617 1.096 -8.706 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.320 0.480 -11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.213 1.791 -10.630 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.158 3.024 -9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.877 2.909 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.299 1.534 -13.039 1.00 0.00 H new ATOM 836 N ALA A 52 0.817 2.721 -10.244 1.00 0.00 N ATOM 837 CA ALA A 52 2.059 3.428 -10.523 1.00 0.00 C ATOM 838 C ALA A 52 3.171 2.431 -10.833 1.00 0.00 C ATOM 839 O ALA A 52 3.892 2.600 -11.815 1.00 0.00 O ATOM 840 CB ALA A 52 2.426 4.319 -9.333 1.00 0.00 C ATOM 0 H ALA A 52 0.477 2.843 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 52 1.927 4.065 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.356 4.846 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.630 5.043 -9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.554 3.703 -8.443 1.00 0.00 H new ATOM 846 N LEU A 53 3.280 1.373 -10.029 1.00 0.00 N ATOM 847 CA LEU A 53 4.270 0.325 -10.216 1.00 0.00 C ATOM 848 C LEU A 53 4.047 -0.393 -11.546 1.00 0.00 C ATOM 849 O LEU A 53 5.003 -0.558 -12.301 1.00 0.00 O ATOM 850 CB LEU A 53 4.205 -0.652 -9.030 1.00 0.00 C ATOM 851 CG LEU A 53 4.867 -0.122 -7.744 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.547 -1.079 -6.596 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.393 0.011 -7.857 1.00 0.00 C ATOM 0 H LEU A 53 2.674 1.223 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 53 5.266 0.766 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.161 -0.883 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.687 -1.587 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 53 4.467 0.876 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.010 -0.715 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.467 -1.135 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.935 -2.070 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.796 0.389 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.828 -0.965 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.639 0.703 -8.662 1.00 0.00 H new ATOM 865 N GLN A 54 2.815 -0.787 -11.877 1.00 0.00 N ATOM 866 CA GLN A 54 2.515 -1.463 -13.138 1.00 0.00 C ATOM 867 C GLN A 54 2.862 -0.561 -14.328 1.00 0.00 C ATOM 868 O GLN A 54 3.532 -1.006 -15.263 1.00 0.00 O ATOM 869 CB GLN A 54 1.035 -1.874 -13.177 1.00 0.00 C ATOM 870 CG GLN A 54 0.744 -3.078 -12.263 1.00 0.00 C ATOM 871 CD GLN A 54 -0.742 -3.449 -12.193 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.631 -2.702 -12.600 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.053 -4.630 -11.681 1.00 0.00 N ATOM 0 H GLN A 54 2.001 -0.646 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 54 3.126 -2.363 -13.208 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.417 -1.030 -12.872 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.755 -2.121 -14.201 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.309 -3.939 -12.620 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.102 -2.856 -11.258 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.316 -5.250 -11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.029 -4.920 -11.624 1.00 0.00 H new ATOM 882 N SER A 55 2.476 0.717 -14.269 1.00 0.00 N ATOM 883 CA SER A 55 2.811 1.688 -15.306 1.00 0.00 C ATOM 884 C SER A 55 4.331 1.822 -15.453 1.00 0.00 C ATOM 885 O SER A 55 4.842 1.963 -16.564 1.00 0.00 O ATOM 886 CB SER A 55 2.193 3.049 -14.970 1.00 0.00 C ATOM 887 OG SER A 55 0.792 2.958 -14.758 1.00 0.00 O ATOM 0 H SER A 55 1.925 1.103 -13.503 1.00 0.00 H new ATOM 0 HA SER A 55 2.404 1.335 -16.253 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.670 3.453 -14.077 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.392 3.748 -15.782 1.00 0.00 H new ATOM 0 HG SER A 55 0.619 2.645 -13.846 1.00 0.00 H new ATOM 893 N PHE A 56 5.068 1.748 -14.345 1.00 0.00 N ATOM 894 CA PHE A 56 6.514 1.818 -14.356 1.00 0.00 C ATOM 895 C PHE A 56 7.133 0.540 -14.943 1.00 0.00 C ATOM 896 O PHE A 56 8.130 0.659 -15.651 1.00 0.00 O ATOM 897 CB PHE A 56 6.997 2.180 -12.946 1.00 0.00 C ATOM 898 CG PHE A 56 8.478 2.462 -12.791 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.107 3.431 -13.598 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.209 1.828 -11.767 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.467 3.725 -13.402 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.562 2.138 -11.560 1.00 0.00 C ATOM 903 CZ PHE A 56 11.188 3.087 -12.379 1.00 0.00 C ATOM 0 H PHE A 56 4.668 1.637 -13.413 1.00 0.00 H new ATOM 0 HA PHE A 56 6.859 2.607 -15.024 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.445 3.059 -12.611 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.733 1.363 -12.275 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.546 3.946 -14.364 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.724 1.098 -11.136 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.960 4.444 -14.040 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.117 1.648 -10.774 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.229 3.329 -12.223 1.00 0.00 H new ATOM 913 N VAL A 57 6.535 -0.653 -14.785 1.00 0.00 N ATOM 914 CA VAL A 57 6.980 -1.824 -15.554 1.00 0.00 C ATOM 915 C VAL A 57 6.766 -1.556 -17.046 1.00 0.00 C ATOM 916 O VAL A 57 7.666 -1.822 -17.841 1.00 0.00 O ATOM 917 CB VAL A 57 6.292 -3.150 -15.146 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.983 -4.347 -15.824 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.331 -3.408 -13.639 1.00 0.00 C ATOM 0 H VAL A 57 5.759 -0.829 -14.146 1.00 0.00 H new ATOM 0 HA VAL A 57 8.038 -1.962 -15.330 1.00 0.00 H new ATOM 0 HB VAL A 57 5.254 -3.048 -15.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.486 -5.270 -15.526 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.923 -4.236 -16.907 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.029 -4.383 -15.520 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.833 -4.352 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.367 -3.458 -13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.821 -2.598 -13.118 1.00 0.00 H new ATOM 929 N GLU A 58 5.608 -1.010 -17.438 1.00 0.00 N ATOM 930 CA GLU A 58 5.319 -0.727 -18.840 1.00 0.00 C ATOM 931 C GLU A 58 6.326 0.273 -19.423 1.00 0.00 C ATOM 932 O GLU A 58 6.722 0.137 -20.582 1.00 0.00 O ATOM 933 CB GLU A 58 3.870 -0.249 -19.031 1.00 0.00 C ATOM 934 CG GLU A 58 2.854 -1.374 -18.789 1.00 0.00 C ATOM 935 CD GLU A 58 1.417 -0.910 -19.083 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.732 -0.397 -18.170 1.00 0.00 O ATOM 937 OE2 GLU A 58 0.948 -1.072 -20.234 1.00 0.00 O ATOM 0 H GLU A 58 4.856 -0.756 -16.797 1.00 0.00 H new ATOM 0 HA GLU A 58 5.426 -1.660 -19.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.667 0.575 -18.347 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.747 0.139 -20.042 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.098 -2.228 -19.421 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.924 -1.712 -17.755 1.00 0.00 H new ATOM 944 N ALA A 59 6.788 1.240 -18.621 1.00 0.00 N ATOM 945 CA ALA A 59 7.867 2.136 -19.002 1.00 0.00 C ATOM 946 C ALA A 59 9.181 1.363 -19.167 1.00 0.00 C ATOM 947 O ALA A 59 9.809 1.435 -20.221 1.00 0.00 O ATOM 948 CB ALA A 59 8.011 3.262 -17.970 1.00 0.00 C ATOM 0 H ALA A 59 6.417 1.417 -17.687 1.00 0.00 H new ATOM 0 HA ALA A 59 7.625 2.586 -19.965 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.823 3.926 -18.267 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.081 3.827 -17.916 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.232 2.834 -16.992 1.00 0.00 H new ATOM 954 N VAL A 60 9.596 0.605 -18.149 1.00 0.00 N ATOM 955 CA VAL A 60 10.881 -0.089 -18.114 1.00 0.00 C ATOM 956 C VAL A 60 10.996 -1.093 -19.268 1.00 0.00 C ATOM 957 O VAL A 60 12.039 -1.144 -19.922 1.00 0.00 O ATOM 958 CB VAL A 60 11.057 -0.729 -16.717 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.186 -1.766 -16.641 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.348 0.362 -15.669 1.00 0.00 C ATOM 0 H VAL A 60 9.035 0.455 -17.310 1.00 0.00 H new ATOM 0 HA VAL A 60 11.700 0.614 -18.265 1.00 0.00 H new ATOM 0 HB VAL A 60 10.119 -1.246 -16.516 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.244 -2.167 -15.629 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.984 -2.576 -17.342 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.133 -1.292 -16.898 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.470 -0.099 -14.689 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.262 0.891 -15.938 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.517 1.067 -15.638 1.00 0.00 H new ATOM 970 N LYS A 61 9.945 -1.866 -19.568 1.00 0.00 N ATOM 971 CA LYS A 61 10.005 -2.883 -20.621 1.00 0.00 C ATOM 972 C LYS A 61 10.156 -2.280 -22.024 1.00 0.00 C ATOM 973 O LYS A 61 10.490 -3.015 -22.952 1.00 0.00 O ATOM 974 CB LYS A 61 8.830 -3.873 -20.518 1.00 0.00 C ATOM 975 CG LYS A 61 7.479 -3.321 -21.000 1.00 0.00 C ATOM 976 CD LYS A 61 6.375 -4.379 -20.855 1.00 0.00 C ATOM 977 CE LYS A 61 5.067 -3.889 -21.494 1.00 0.00 C ATOM 978 NZ LYS A 61 3.984 -4.903 -21.402 1.00 0.00 N ATOM 0 H LYS A 61 9.043 -1.805 -19.095 1.00 0.00 H new ATOM 0 HA LYS A 61 10.917 -3.457 -20.455 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.071 -4.763 -21.099 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.728 -4.188 -19.479 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.217 -2.434 -20.423 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.558 -3.012 -22.042 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.691 -5.309 -21.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.211 -4.598 -19.800 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.746 -2.971 -21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.245 -3.644 -22.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.120 -4.530 -21.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.278 -5.771 -21.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.794 -5.119 -20.402 1.00 0.00 H new ATOM 992 N ASN A 62 9.927 -0.970 -22.208 1.00 0.00 N ATOM 993 CA ASN A 62 10.248 -0.294 -23.468 1.00 0.00 C ATOM 994 C ASN A 62 11.757 -0.308 -23.735 1.00 0.00 C ATOM 995 O ASN A 62 12.175 -0.238 -24.891 1.00 0.00 O ATOM 996 CB ASN A 62 9.777 1.172 -23.445 1.00 0.00 C ATOM 997 CG ASN A 62 10.048 1.877 -24.771 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.958 2.696 -24.878 1.00 0.00 O ATOM 999 ND2 ASN A 62 9.273 1.585 -25.804 1.00 0.00 N ATOM 0 H ASN A 62 9.521 -0.361 -21.498 1.00 0.00 H new ATOM 0 HA ASN A 62 9.729 -0.837 -24.258 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.710 1.207 -23.227 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.285 1.704 -22.640 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.428 2.042 -26.703 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.521 0.903 -25.701 1.00 0.00 H new ATOM 1006 N GLY A 63 12.576 -0.356 -22.681 1.00 0.00 N ATOM 1007 CA GLY A 63 13.907 0.214 -22.738 1.00 0.00 C ATOM 1008 C GLY A 63 13.712 1.716 -22.587 1.00 0.00 C ATOM 1009 O GLY A 63 13.029 2.158 -21.662 1.00 0.00 O ATOM 0 H GLY A 63 12.335 -0.783 -21.787 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.538 -0.182 -21.942 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.397 -0.025 -23.682 1.00 0.00 H new ATOM 1013 N SER A 64 14.282 2.511 -23.484 1.00 0.00 N ATOM 1014 CA SER A 64 14.054 3.948 -23.561 1.00 0.00 C ATOM 1015 C SER A 64 14.313 4.404 -25.003 1.00 0.00 C ATOM 1016 O SER A 64 14.902 3.647 -25.779 1.00 0.00 O ATOM 1017 CB SER A 64 14.997 4.657 -22.576 1.00 0.00 C ATOM 1018 OG SER A 64 14.701 4.267 -21.250 1.00 0.00 O ATOM 0 H SER A 64 14.929 2.167 -24.193 1.00 0.00 H new ATOM 0 HA SER A 64 13.027 4.197 -23.292 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.032 4.412 -22.812 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.894 5.737 -22.677 1.00 0.00 H new ATOM 0 HG SER A 64 14.008 3.575 -21.260 1.00 0.00 H new ATOM 1024 N PRO A 65 13.960 5.646 -25.377 1.00 0.00 N ATOM 1025 CA PRO A 65 14.343 6.246 -26.655 1.00 0.00 C ATOM 1026 C PRO A 65 15.832 6.098 -27.026 1.00 0.00 C ATOM 1027 O PRO A 65 16.161 6.140 -28.214 1.00 0.00 O ATOM 1028 CB PRO A 65 13.919 7.712 -26.547 1.00 0.00 C ATOM 1029 CG PRO A 65 12.697 7.647 -25.631 1.00 0.00 C ATOM 1030 CD PRO A 65 13.059 6.531 -24.650 1.00 0.00 C ATOM 0 HA PRO A 65 13.847 5.721 -27.472 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.710 8.331 -26.123 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.672 8.134 -27.521 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.526 8.594 -25.119 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.788 7.416 -26.187 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.540 6.934 -23.759 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.169 5.997 -24.318 1.00 0.00 H new ATOM 1038 N PHE A 66 16.720 5.887 -26.042 1.00 0.00 N ATOM 1039 CA PHE A 66 18.150 5.651 -26.234 1.00 0.00 C ATOM 1040 C PHE A 66 18.641 4.476 -25.363 1.00 0.00 C ATOM 1041 O PHE A 66 19.772 4.502 -24.875 1.00 0.00 O ATOM 1042 CB PHE A 66 18.923 6.959 -25.969 1.00 0.00 C ATOM 1043 CG PHE A 66 18.578 8.099 -26.914 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.236 8.209 -28.155 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.595 9.047 -26.563 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.914 9.256 -29.037 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.271 10.092 -27.446 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.932 10.198 -28.684 1.00 0.00 C ATOM 0 H PHE A 66 16.448 5.877 -25.059 1.00 0.00 H new ATOM 0 HA PHE A 66 18.339 5.356 -27.266 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.728 7.280 -24.946 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.991 6.755 -26.041 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.990 7.487 -28.430 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.089 8.970 -25.612 1.00 0.00 H new ATOM 0 HE1 PHE A 66 19.422 9.336 -29.987 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.515 10.814 -27.174 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.685 11.002 -29.362 1.00 0.00 H new ATOM 1058 N SER A 67 17.817 3.449 -25.108 1.00 0.00 N ATOM 1059 CA SER A 67 18.254 2.222 -24.429 1.00 0.00 C ATOM 1060 C SER A 67 17.402 1.032 -24.888 1.00 0.00 C ATOM 1061 O SER A 67 16.227 1.205 -25.210 1.00 0.00 O ATOM 1062 CB SER A 67 18.163 2.382 -22.901 1.00 0.00 C ATOM 1063 OG SER A 67 18.755 3.588 -22.449 1.00 0.00 O ATOM 0 H SER A 67 16.830 3.446 -25.367 1.00 0.00 H new ATOM 0 HA SER A 67 19.295 2.035 -24.693 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.116 2.358 -22.597 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.654 1.536 -22.420 1.00 0.00 H new ATOM 0 HG SER A 67 18.297 3.894 -21.638 1.00 0.00 H new ATOM 1069 N LYS A 68 17.952 -0.185 -24.885 1.00 0.00 N ATOM 1070 CA LYS A 68 17.261 -1.386 -25.360 1.00 0.00 C ATOM 1071 C LYS A 68 17.471 -2.496 -24.343 1.00 0.00 C ATOM 1072 O LYS A 68 18.541 -3.102 -24.296 1.00 0.00 O ATOM 1073 CB LYS A 68 17.756 -1.779 -26.767 1.00 0.00 C ATOM 1074 CG LYS A 68 17.066 -3.057 -27.279 1.00 0.00 C ATOM 1075 CD LYS A 68 17.506 -3.500 -28.682 1.00 0.00 C ATOM 1076 CE LYS A 68 19.013 -3.785 -28.774 1.00 0.00 C ATOM 1077 NZ LYS A 68 19.402 -4.303 -30.112 1.00 0.00 N ATOM 0 H LYS A 68 18.898 -0.366 -24.550 1.00 0.00 H new ATOM 0 HA LYS A 68 16.192 -1.196 -25.453 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.566 -0.960 -27.461 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.835 -1.933 -26.743 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.264 -3.867 -26.577 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.988 -2.896 -27.284 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.954 -4.397 -28.964 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.243 -2.724 -29.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.568 -2.871 -28.564 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.292 -4.510 -28.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.426 -4.482 -30.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.892 -5.189 -30.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.160 -3.601 -30.840 1.00 0.00 H new ATOM 1091 N VAL A 69 16.447 -2.769 -23.540 1.00 0.00 N ATOM 1092 CA VAL A 69 16.347 -4.021 -22.807 1.00 0.00 C ATOM 1093 C VAL A 69 16.283 -5.170 -23.820 1.00 0.00 C ATOM 1094 O VAL A 69 15.568 -5.074 -24.822 1.00 0.00 O ATOM 1095 CB VAL A 69 15.128 -3.972 -21.858 1.00 0.00 C ATOM 1096 CG1 VAL A 69 13.790 -3.629 -22.534 1.00 0.00 C ATOM 1097 CG2 VAL A 69 14.948 -5.289 -21.095 1.00 0.00 C ATOM 0 H VAL A 69 15.668 -2.130 -23.381 1.00 0.00 H new ATOM 0 HA VAL A 69 17.220 -4.185 -22.176 1.00 0.00 H new ATOM 0 HB VAL A 69 15.371 -3.155 -21.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.997 -3.619 -21.787 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.860 -2.647 -23.002 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.564 -4.377 -23.293 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.081 -5.214 -20.439 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.797 -6.103 -21.804 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.838 -5.488 -20.498 1.00 0.00 H new ATOM 1107 N THR A 70 16.994 -6.263 -23.549 1.00 0.00 N ATOM 1108 CA THR A 70 16.898 -7.510 -24.297 1.00 0.00 C ATOM 1109 C THR A 70 16.553 -8.683 -23.362 1.00 0.00 C ATOM 1110 O THR A 70 16.117 -9.731 -23.843 1.00 0.00 O ATOM 1111 CB THR A 70 18.193 -7.736 -25.099 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.303 -7.803 -24.226 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.454 -6.597 -26.095 1.00 0.00 C ATOM 0 H THR A 70 17.668 -6.305 -22.785 1.00 0.00 H new ATOM 0 HA THR A 70 16.081 -7.446 -25.015 1.00 0.00 H new ATOM 0 HB THR A 70 18.066 -8.672 -25.644 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.120 -7.949 -24.747 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.377 -6.795 -26.640 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.624 -6.531 -26.798 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.547 -5.655 -25.554 1.00 0.00 H new ATOM 1121 N ASP A 71 16.662 -8.511 -22.036 1.00 0.00 N ATOM 1122 CA ASP A 71 16.199 -9.470 -21.033 1.00 0.00 C ATOM 1123 C ASP A 71 15.824 -8.720 -19.752 1.00 0.00 C ATOM 1124 O ASP A 71 16.467 -7.728 -19.401 1.00 0.00 O ATOM 1125 CB ASP A 71 17.293 -10.504 -20.737 1.00 0.00 C ATOM 1126 CG ASP A 71 16.860 -11.469 -19.622 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.871 -12.210 -19.818 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.517 -11.505 -18.558 1.00 0.00 O ATOM 0 H ASP A 71 17.086 -7.679 -21.626 1.00 0.00 H new ATOM 0 HA ASP A 71 15.324 -9.995 -21.416 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.518 -11.068 -21.642 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.210 -9.993 -20.443 1.00 0.00 H new ATOM 1133 N ILE A 72 14.783 -9.186 -19.060 1.00 0.00 N ATOM 1134 CA ILE A 72 14.225 -8.568 -17.862 1.00 0.00 C ATOM 1135 C ILE A 72 13.773 -9.685 -16.908 1.00 0.00 C ATOM 1136 O ILE A 72 13.316 -10.739 -17.359 1.00 0.00 O ATOM 1137 CB ILE A 72 13.093 -7.582 -18.263 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.519 -6.847 -17.031 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.972 -8.245 -19.093 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.611 -5.661 -17.386 1.00 0.00 C ATOM 0 H ILE A 72 14.289 -10.036 -19.331 1.00 0.00 H new ATOM 0 HA ILE A 72 14.966 -7.971 -17.331 1.00 0.00 H new ATOM 0 HB ILE A 72 13.557 -6.842 -18.915 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.955 -7.557 -16.426 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.344 -6.489 -16.415 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.214 -7.502 -19.340 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.393 -8.653 -20.012 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.517 -9.049 -18.514 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.246 -5.195 -16.471 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.176 -4.930 -17.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.765 -6.014 -17.975 1.00 0.00 H new ATOM 1152 N SER A 73 13.888 -9.452 -15.598 1.00 0.00 N ATOM 1153 CA SER A 73 13.463 -10.362 -14.531 1.00 0.00 C ATOM 1154 C SER A 73 12.806 -9.532 -13.423 1.00 0.00 C ATOM 1155 O SER A 73 13.164 -8.366 -13.258 1.00 0.00 O ATOM 1156 CB SER A 73 14.679 -11.119 -13.975 1.00 0.00 C ATOM 1157 OG SER A 73 15.347 -11.864 -14.983 1.00 0.00 O ATOM 0 H SER A 73 14.296 -8.590 -15.237 1.00 0.00 H new ATOM 0 HA SER A 73 12.752 -11.091 -14.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.375 -10.409 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.355 -11.792 -13.181 1.00 0.00 H new ATOM 0 HG SER A 73 16.115 -12.330 -14.591 1.00 0.00 H new ATOM 1163 N VAL A 74 11.868 -10.108 -12.665 1.00 0.00 N ATOM 1164 CA VAL A 74 11.048 -9.394 -11.682 1.00 0.00 C ATOM 1165 C VAL A 74 10.868 -10.280 -10.441 1.00 0.00 C ATOM 1166 O VAL A 74 10.711 -11.498 -10.566 1.00 0.00 O ATOM 1167 CB VAL A 74 9.671 -9.041 -12.307 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.776 -8.235 -11.347 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.798 -8.270 -13.634 1.00 0.00 C ATOM 0 H VAL A 74 11.653 -11.104 -12.719 1.00 0.00 H new ATOM 0 HA VAL A 74 11.540 -8.467 -11.389 1.00 0.00 H new ATOM 0 HB VAL A 74 9.202 -10.005 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.826 -8.015 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.595 -8.817 -10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.273 -7.302 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.804 -8.051 -14.024 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.335 -7.337 -13.463 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.345 -8.876 -14.356 1.00 0.00 H new ATOM 1179 N THR A 75 10.814 -9.658 -9.260 1.00 0.00 N ATOM 1180 CA THR A 75 10.266 -10.231 -8.035 1.00 0.00 C ATOM 1181 C THR A 75 9.394 -9.138 -7.418 1.00 0.00 C ATOM 1182 O THR A 75 9.866 -8.010 -7.277 1.00 0.00 O ATOM 1183 CB THR A 75 11.393 -10.631 -7.058 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.452 -11.304 -7.722 1.00 0.00 O ATOM 1185 CG2 THR A 75 10.875 -11.544 -5.944 1.00 0.00 C ATOM 0 H THR A 75 11.164 -8.709 -9.130 1.00 0.00 H new ATOM 0 HA THR A 75 9.696 -11.136 -8.245 1.00 0.00 H new ATOM 0 HB THR A 75 11.763 -9.699 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.147 -11.540 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.696 -11.805 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.099 -11.026 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.461 -12.452 -6.381 1.00 0.00 H new ATOM 1193 N GLU A 76 8.146 -9.438 -7.051 1.00 0.00 N ATOM 1194 CA GLU A 76 7.291 -8.511 -6.317 1.00 0.00 C ATOM 1195 C GLU A 76 7.205 -8.969 -4.861 1.00 0.00 C ATOM 1196 O GLU A 76 7.314 -10.167 -4.567 1.00 0.00 O ATOM 1197 CB GLU A 76 5.936 -8.347 -7.024 1.00 0.00 C ATOM 1198 CG GLU A 76 4.974 -9.547 -6.934 1.00 0.00 C ATOM 1199 CD GLU A 76 3.777 -9.283 -6.000 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.984 -9.057 -4.787 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.619 -9.330 -6.477 1.00 0.00 O ATOM 0 H GLU A 76 7.702 -10.333 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 76 7.717 -7.508 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.435 -7.474 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.122 -8.135 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.605 -9.787 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.521 -10.420 -6.578 1.00 0.00 H new ATOM 1208 N SER A 77 7.047 -8.009 -3.952 1.00 0.00 N ATOM 1209 CA SER A 77 7.276 -8.193 -2.529 1.00 0.00 C ATOM 1210 C SER A 77 6.272 -7.328 -1.768 1.00 0.00 C ATOM 1211 O SER A 77 6.056 -6.160 -2.105 1.00 0.00 O ATOM 1212 CB SER A 77 8.722 -7.793 -2.169 1.00 0.00 C ATOM 1213 OG SER A 77 9.655 -7.957 -3.226 1.00 0.00 O ATOM 0 H SER A 77 6.750 -7.064 -4.194 1.00 0.00 H new ATOM 0 HA SER A 77 7.141 -9.240 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.730 -6.750 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.049 -8.388 -1.316 1.00 0.00 H new ATOM 0 HG SER A 77 9.901 -7.079 -3.585 1.00 0.00 H new ATOM 1219 N ARG A 78 5.678 -7.866 -0.701 1.00 0.00 N ATOM 1220 CA ARG A 78 4.789 -7.118 0.194 1.00 0.00 C ATOM 1221 C ARG A 78 5.657 -6.498 1.296 1.00 0.00 C ATOM 1222 O ARG A 78 5.431 -6.699 2.492 1.00 0.00 O ATOM 1223 CB ARG A 78 3.678 -8.033 0.735 1.00 0.00 C ATOM 1224 CG ARG A 78 2.585 -8.409 -0.287 1.00 0.00 C ATOM 1225 CD ARG A 78 3.018 -9.274 -1.483 1.00 0.00 C ATOM 1226 NE ARG A 78 3.678 -10.526 -1.060 1.00 0.00 N ATOM 1227 CZ ARG A 78 4.651 -11.164 -1.725 1.00 0.00 C ATOM 1228 NH1 ARG A 78 5.034 -10.752 -2.928 1.00 0.00 N ATOM 1229 NH2 ARG A 78 5.261 -12.204 -1.166 1.00 0.00 N ATOM 0 H ARG A 78 5.801 -8.842 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 78 4.274 -6.315 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.134 -8.949 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.205 -7.541 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.792 -8.936 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.151 -7.487 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.145 -9.513 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.698 -8.703 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 78 3.365 -10.942 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.586 -9.941 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.776 -11.246 -3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.988 -12.514 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.002 -12.692 -1.670 1.00 0.00 H new ATOM 1243 N SER A 79 6.708 -5.809 0.864 1.00 0.00 N ATOM 1244 CA SER A 79 7.896 -5.513 1.654 1.00 0.00 C ATOM 1245 C SER A 79 8.376 -4.111 1.282 1.00 0.00 C ATOM 1246 O SER A 79 9.215 -3.942 0.399 1.00 0.00 O ATOM 1247 CB SER A 79 8.969 -6.589 1.404 1.00 0.00 C ATOM 1248 OG SER A 79 8.425 -7.901 1.492 1.00 0.00 O ATOM 0 H SER A 79 6.757 -5.428 -0.081 1.00 0.00 H new ATOM 0 HA SER A 79 7.676 -5.531 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.409 -6.442 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.773 -6.478 2.132 1.00 0.00 H new ATOM 0 HG SER A 79 9.131 -8.560 1.327 1.00 0.00 H new ATOM 1254 N LEU A 80 7.766 -3.092 1.892 1.00 0.00 N ATOM 1255 CA LEU A 80 8.097 -1.692 1.636 1.00 0.00 C ATOM 1256 C LEU A 80 9.550 -1.416 2.045 1.00 0.00 C ATOM 1257 O LEU A 80 10.047 -1.964 3.033 1.00 0.00 O ATOM 1258 CB LEU A 80 7.127 -0.764 2.393 1.00 0.00 C ATOM 1259 CG LEU A 80 5.839 -0.430 1.609 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.984 -1.664 1.287 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.998 0.565 2.418 1.00 0.00 C ATOM 0 H LEU A 80 7.025 -3.218 2.581 1.00 0.00 H new ATOM 0 HA LEU A 80 7.993 -1.491 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.854 -1.234 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.644 0.165 2.636 1.00 0.00 H new ATOM 0 HG LEU A 80 6.152 -0.002 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.095 -1.357 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.564 -2.361 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.685 -2.152 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.088 0.804 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.736 0.123 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.572 1.477 2.583 1.00 0.00 H new ATOM 1273 N GLU A 81 10.211 -0.528 1.304 1.00 0.00 N ATOM 1274 CA GLU A 81 11.531 0.003 1.625 1.00 0.00 C ATOM 1275 C GLU A 81 11.421 1.195 2.588 1.00 0.00 C ATOM 1276 O GLU A 81 12.374 1.480 3.317 1.00 0.00 O ATOM 1277 CB GLU A 81 12.248 0.472 0.346 1.00 0.00 C ATOM 1278 CG GLU A 81 12.449 -0.600 -0.725 1.00 0.00 C ATOM 1279 CD GLU A 81 13.196 -1.823 -0.168 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.406 -1.723 0.133 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.563 -2.890 -0.018 1.00 0.00 O ATOM 0 H GLU A 81 9.829 -0.148 0.438 1.00 0.00 H new ATOM 0 HA GLU A 81 12.101 -0.796 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.678 1.293 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.223 0.872 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.480 -0.911 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.009 -0.180 -1.560 1.00 0.00 H new ATOM 1288 N GLY A 82 10.281 1.894 2.601 1.00 0.00 N ATOM 1289 CA GLY A 82 10.064 3.080 3.419 1.00 0.00 C ATOM 1290 C GLY A 82 10.980 4.245 3.024 1.00 0.00 C ATOM 1291 O GLY A 82 11.361 5.041 3.887 1.00 0.00 O ATOM 0 H GLY A 82 9.473 1.643 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.024 3.394 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.232 2.830 4.467 1.00 0.00 H new ATOM 1295 N HIS A 83 11.379 4.326 1.751 1.00 0.00 N ATOM 1296 CA HIS A 83 12.090 5.471 1.194 1.00 0.00 C ATOM 1297 C HIS A 83 11.122 6.656 1.037 1.00 0.00 C ATOM 1298 O HIS A 83 9.900 6.501 1.123 1.00 0.00 O ATOM 1299 CB HIS A 83 12.708 5.075 -0.160 1.00 0.00 C ATOM 1300 CG HIS A 83 13.953 4.225 -0.074 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.305 3.355 0.938 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.962 4.192 -0.999 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.491 2.810 0.622 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.938 3.291 -0.554 1.00 0.00 N ATOM 0 H HIS A 83 11.212 3.584 1.071 1.00 0.00 H new ATOM 0 HA HIS A 83 12.892 5.776 1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.959 4.536 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.945 5.984 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.999 4.763 -1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.015 2.085 1.228 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.810 3.049 -1.025 1.00 0.00 H new ATOM 1312 N HIS A 84 11.677 7.842 0.756 1.00 0.00 N ATOM 1313 CA HIS A 84 10.919 9.086 0.582 1.00 0.00 C ATOM 1314 C HIS A 84 11.230 9.774 -0.759 1.00 0.00 C ATOM 1315 O HIS A 84 10.660 10.826 -1.058 1.00 0.00 O ATOM 1316 CB HIS A 84 11.183 10.013 1.780 1.00 0.00 C ATOM 1317 CG HIS A 84 10.820 9.396 3.110 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.691 8.871 4.041 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.553 9.221 3.602 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.967 8.392 5.065 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.651 8.585 4.849 1.00 0.00 N ATOM 0 H HIS A 84 12.683 7.965 0.641 1.00 0.00 H new ATOM 0 HA HIS A 84 9.856 8.845 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.238 10.287 1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.615 10.934 1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.637 9.521 3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.382 7.917 5.942 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.883 8.322 5.466 1.00 0.00 H new ATOM 1329 N ARG A 85 12.105 9.187 -1.585 1.00 0.00 N ATOM 1330 CA ARG A 85 12.395 9.610 -2.952 1.00 0.00 C ATOM 1331 C ARG A 85 12.798 8.380 -3.763 1.00 0.00 C ATOM 1332 O ARG A 85 13.050 7.316 -3.187 1.00 0.00 O ATOM 1333 CB ARG A 85 13.510 10.676 -2.966 1.00 0.00 C ATOM 1334 CG ARG A 85 14.817 10.227 -2.280 1.00 0.00 C ATOM 1335 CD ARG A 85 16.001 11.123 -2.660 1.00 0.00 C ATOM 1336 NE ARG A 85 16.363 10.926 -4.074 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.998 11.770 -4.889 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.532 12.898 -4.427 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.080 11.459 -6.179 1.00 0.00 N ATOM 0 H ARG A 85 12.650 8.372 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 85 11.510 10.064 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.728 10.945 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.144 11.576 -2.473 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.683 10.243 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.038 9.197 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.744 12.168 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.856 10.895 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 85 16.094 10.031 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.459 13.128 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.014 13.532 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.663 10.594 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.560 12.086 -6.825 1.00 0.00 H new ATOM 1353 N PHE A 86 12.883 8.520 -5.083 1.00 0.00 N ATOM 1354 CA PHE A 86 13.592 7.566 -5.922 1.00 0.00 C ATOM 1355 C PHE A 86 15.033 8.063 -6.061 1.00 0.00 C ATOM 1356 O PHE A 86 15.244 9.278 -6.054 1.00 0.00 O ATOM 1357 CB PHE A 86 12.894 7.455 -7.284 1.00 0.00 C ATOM 1358 CG PHE A 86 13.199 6.152 -7.988 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.654 4.943 -7.520 1.00 0.00 C ATOM 1360 CD2 PHE A 86 14.032 6.147 -9.113 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.985 3.732 -8.150 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.363 4.940 -9.751 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.842 3.731 -9.261 1.00 0.00 C ATOM 0 H PHE A 86 12.464 9.295 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 86 13.593 6.569 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.817 7.545 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.204 8.287 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.981 4.946 -6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.423 7.079 -9.494 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.580 2.802 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.014 4.942 -10.613 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.102 2.799 -9.740 1.00 0.00 H new ATOM 1373 N SER A 87 16.015 7.170 -6.193 1.00 0.00 N ATOM 1374 CA SER A 87 17.433 7.536 -6.172 1.00 0.00 C ATOM 1375 C SER A 87 18.230 6.785 -7.243 1.00 0.00 C ATOM 1376 O SER A 87 17.790 5.742 -7.737 1.00 0.00 O ATOM 1377 CB SER A 87 17.987 7.260 -4.768 1.00 0.00 C ATOM 1378 OG SER A 87 17.248 7.984 -3.798 1.00 0.00 O ATOM 0 H SER A 87 15.850 6.171 -6.318 1.00 0.00 H new ATOM 0 HA SER A 87 17.533 8.596 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.936 6.193 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.038 7.545 -4.722 1.00 0.00 H new ATOM 0 HG SER A 87 17.609 7.799 -2.906 1.00 0.00 H new ATOM 1384 N ILE A 88 19.398 7.310 -7.619 1.00 0.00 N ATOM 1385 CA ILE A 88 20.400 6.591 -8.408 1.00 0.00 C ATOM 1386 C ILE A 88 21.485 6.217 -7.394 1.00 0.00 C ATOM 1387 O ILE A 88 21.880 7.061 -6.583 1.00 0.00 O ATOM 1388 CB ILE A 88 20.979 7.443 -9.574 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.888 8.141 -10.416 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.813 6.540 -10.501 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.392 9.017 -11.573 1.00 0.00 C ATOM 0 H ILE A 88 19.678 8.261 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 88 19.966 5.722 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 88 21.592 8.222 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.228 7.377 -10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.285 8.761 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.220 7.135 -11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.631 6.094 -9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.180 5.751 -10.906 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.541 9.456 -12.094 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.026 9.811 -11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.967 8.406 -12.268 1.00 0.00 H new ATOM 1403 N VAL A 89 21.958 4.972 -7.420 1.00 0.00 N ATOM 1404 CA VAL A 89 22.923 4.449 -6.458 1.00 0.00 C ATOM 1405 C VAL A 89 24.014 3.717 -7.247 1.00 0.00 C ATOM 1406 O VAL A 89 23.750 3.135 -8.301 1.00 0.00 O ATOM 1407 CB VAL A 89 22.189 3.560 -5.419 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.140 3.020 -4.340 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.047 4.313 -4.710 1.00 0.00 C ATOM 0 H VAL A 89 21.676 4.288 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 89 23.405 5.239 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 89 21.779 2.730 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.580 2.404 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.918 2.418 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.597 3.854 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.564 3.649 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.452 5.179 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.316 4.644 -5.448 1.00 0.00 H new