USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.13) USER MOD Set 1.2: A 88 THR OG1 : rot -108:sc= 1.29 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.129 K(o=1.1,f=-6.2!) USER MOD Set 2.2: B 208 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00696 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 34 ASN : amide:sc= 0.349 K(o=0.35,f=-5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.09) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0317) USER MOD Single : A 55 SER OG : rot 129:sc= 0.988 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.412 X(o=0.41,f=-0.038) USER MOD Single : A 72 SER OG : rot 169:sc= 1.23 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.766 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 59:sc= 1.25 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 90 GLN : amide:sc= -0.0431 K(o=-0.043,f=-1) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -1.86 F(o=-2.7!,f=-1.9) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 2.44 (180deg=2.17) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.00044) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -11.990 -12.419 -7.442 1.00 0.00 N ATOM 2 CA MET A 8 -13.221 -12.979 -7.909 1.00 0.00 C ATOM 3 C MET A 8 -14.312 -12.681 -6.940 1.00 0.00 C ATOM 4 O MET A 8 -15.471 -12.521 -7.318 1.00 0.00 O ATOM 5 CB MET A 8 -13.108 -14.496 -8.137 1.00 0.00 C ATOM 6 CG MET A 8 -12.099 -14.869 -9.225 1.00 0.00 C ATOM 7 SD MET A 8 -12.038 -16.650 -9.587 1.00 0.00 S ATOM 8 CE MET A 8 -10.735 -16.478 -10.840 1.00 0.00 C ATOM 0 HA MET A 8 -13.454 -12.521 -8.870 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.819 -14.977 -7.202 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.087 -14.890 -8.408 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.348 -14.330 -10.139 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.108 -14.536 -8.918 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.490 -17.459 -11.247 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.085 -15.829 -11.643 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.846 -16.043 -10.383 1.00 0.00 H new ATOM 18 N LYS A 9 -13.981 -12.604 -5.638 1.00 0.00 N ATOM 19 CA LYS A 9 -14.888 -12.242 -4.593 1.00 0.00 C ATOM 20 C LYS A 9 -14.210 -11.134 -3.862 1.00 0.00 C ATOM 21 O LYS A 9 -13.312 -10.534 -4.449 1.00 0.00 O ATOM 22 CB LYS A 9 -15.138 -13.487 -3.727 1.00 0.00 C ATOM 23 CG LYS A 9 -15.795 -14.624 -4.512 1.00 0.00 C ATOM 24 CD LYS A 9 -16.030 -15.903 -3.707 1.00 0.00 C ATOM 25 CE LYS A 9 -14.744 -16.534 -3.168 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.002 -17.939 -2.782 1.00 0.00 N ATOM 0 H LYS A 9 -13.040 -12.803 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.867 -11.904 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.191 -13.835 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.774 -13.217 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.752 -14.274 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.170 -14.862 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.693 -15.679 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.545 -16.629 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.962 -16.493 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.384 -15.970 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.127 -18.365 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.735 -17.967 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.326 -18.473 -3.613 1.00 0.00 H new ATOM 40 N PRO A 10 -14.490 -10.780 -2.643 1.00 0.00 N ATOM 41 CA PRO A 10 -13.532 -10.100 -1.822 1.00 0.00 C ATOM 42 C PRO A 10 -12.338 -10.952 -1.554 1.00 0.00 C ATOM 43 O PRO A 10 -12.458 -11.995 -0.912 1.00 0.00 O ATOM 44 CB PRO A 10 -14.299 -9.730 -0.554 1.00 0.00 C ATOM 45 CG PRO A 10 -15.730 -9.529 -1.079 1.00 0.00 C ATOM 46 CD PRO A 10 -15.841 -10.659 -2.115 1.00 0.00 C ATOM 0 HA PRO A 10 -13.123 -9.212 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.249 -10.520 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.906 -8.825 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.474 -9.624 -0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.867 -8.546 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.176 -11.590 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.557 -10.413 -2.900 1.00 0.00 H new ATOM 54 N GLY A 11 -11.173 -10.562 -2.101 1.00 0.00 N ATOM 55 CA GLY A 11 -10.008 -11.388 -2.172 1.00 0.00 C ATOM 56 C GLY A 11 -9.350 -11.268 -3.503 1.00 0.00 C ATOM 57 O GLY A 11 -9.185 -12.254 -4.219 1.00 0.00 O ATOM 0 H GLY A 11 -11.037 -9.637 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.307 -11.102 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.283 -12.427 -1.990 1.00 0.00 H new ATOM 61 N ASP A 12 -8.974 -10.030 -3.871 1.00 0.00 N ATOM 62 CA ASP A 12 -8.495 -9.679 -5.173 1.00 0.00 C ATOM 63 C ASP A 12 -7.734 -8.410 -4.989 1.00 0.00 C ATOM 64 O ASP A 12 -7.848 -7.754 -3.954 1.00 0.00 O ATOM 65 CB ASP A 12 -9.676 -9.582 -6.153 1.00 0.00 C ATOM 66 CG ASP A 12 -9.258 -9.464 -7.612 1.00 0.00 C ATOM 67 OD1 ASP A 12 -8.242 -10.090 -8.019 1.00 0.00 O ATOM 68 OD2 ASP A 12 -9.979 -8.766 -8.374 1.00 0.00 O ATOM 0 H ASP A 12 -9.005 -9.236 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.834 -10.425 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.306 -10.464 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.285 -8.718 -5.889 1.00 0.00 H new ATOM 73 N THR A 13 -6.882 -8.008 -5.948 1.00 0.00 N ATOM 74 CA THR A 13 -6.144 -6.785 -5.874 1.00 0.00 C ATOM 75 C THR A 13 -6.989 -5.564 -5.995 1.00 0.00 C ATOM 76 O THR A 13 -8.069 -5.572 -6.584 1.00 0.00 O ATOM 77 CB THR A 13 -5.020 -6.682 -6.862 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.400 -7.143 -8.150 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.853 -7.562 -6.387 1.00 0.00 C ATOM 0 H THR A 13 -6.701 -8.546 -6.796 1.00 0.00 H new ATOM 0 HA THR A 13 -5.721 -6.827 -4.870 1.00 0.00 H new ATOM 0 HB THR A 13 -4.740 -5.631 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.642 -7.058 -8.765 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.031 -7.493 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.514 -7.220 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.184 -8.598 -6.315 1.00 0.00 H new ATOM 87 N PHE A 14 -6.530 -4.451 -5.398 1.00 0.00 N ATOM 88 CA PHE A 14 -7.105 -3.151 -5.550 1.00 0.00 C ATOM 89 C PHE A 14 -6.006 -2.162 -5.739 1.00 0.00 C ATOM 90 O PHE A 14 -5.034 -2.138 -4.986 1.00 0.00 O ATOM 91 CB PHE A 14 -8.148 -2.652 -4.536 1.00 0.00 C ATOM 92 CG PHE A 14 -7.986 -2.901 -3.076 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.671 -4.140 -2.568 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.284 -1.901 -2.181 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.550 -4.351 -1.215 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.166 -2.097 -0.825 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.788 -3.324 -0.333 1.00 0.00 C ATOM 0 H PHE A 14 -5.719 -4.458 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.740 -3.259 -6.429 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.229 -1.573 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.106 -3.082 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.515 -4.965 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.617 -0.942 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.267 -5.325 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.371 -1.284 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.680 -3.479 0.730 1.00 0.00 H new ATOM 107 N GLU A 15 -6.115 -1.330 -6.790 1.00 0.00 N ATOM 108 CA GLU A 15 -5.178 -0.295 -7.100 1.00 0.00 C ATOM 109 C GLU A 15 -5.765 1.030 -6.759 1.00 0.00 C ATOM 110 O GLU A 15 -6.272 1.768 -7.603 1.00 0.00 O ATOM 111 CB GLU A 15 -4.722 -0.331 -8.568 1.00 0.00 C ATOM 112 CG GLU A 15 -4.155 -1.669 -9.049 1.00 0.00 C ATOM 113 CD GLU A 15 -3.816 -1.600 -10.531 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.830 -0.916 -10.914 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.548 -2.230 -11.342 1.00 0.00 O ATOM 0 H GLU A 15 -6.889 -1.381 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.286 -0.464 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.570 -0.067 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.964 0.439 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.262 -1.920 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.880 -2.463 -8.872 1.00 0.00 H new ATOM 122 N VAL A 16 -5.725 1.380 -5.460 1.00 0.00 N ATOM 123 CA VAL A 16 -6.246 2.576 -4.875 1.00 0.00 C ATOM 124 C VAL A 16 -5.355 3.736 -5.160 1.00 0.00 C ATOM 125 O VAL A 16 -4.179 3.543 -5.463 1.00 0.00 O ATOM 126 CB VAL A 16 -6.366 2.339 -3.398 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.867 3.549 -2.592 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.337 1.172 -3.155 1.00 0.00 C ATOM 0 H VAL A 16 -5.292 0.774 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.221 2.815 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.355 2.125 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.922 3.285 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.178 4.383 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.857 3.837 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.430 0.993 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.315 1.420 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.956 0.274 -3.641 1.00 0.00 H new ATOM 138 N GLU A 17 -5.830 4.992 -5.078 1.00 0.00 N ATOM 139 CA GLU A 17 -5.020 6.168 -5.022 1.00 0.00 C ATOM 140 C GLU A 17 -5.415 6.954 -3.819 1.00 0.00 C ATOM 141 O GLU A 17 -6.596 7.185 -3.563 1.00 0.00 O ATOM 142 CB GLU A 17 -5.020 7.003 -6.314 1.00 0.00 C ATOM 143 CG GLU A 17 -4.928 8.530 -6.261 1.00 0.00 C ATOM 144 CD GLU A 17 -6.237 9.259 -6.526 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.958 8.892 -7.493 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.536 10.256 -5.816 1.00 0.00 O ATOM 0 H GLU A 17 -6.829 5.196 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.979 5.858 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.185 6.653 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.934 6.756 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.558 8.823 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.190 8.861 -6.992 1.00 0.00 H new ATOM 153 N LEU A 18 -4.412 7.345 -3.013 1.00 0.00 N ATOM 154 CA LEU A 18 -4.547 8.095 -1.803 1.00 0.00 C ATOM 155 C LEU A 18 -3.686 9.310 -1.855 1.00 0.00 C ATOM 156 O LEU A 18 -2.764 9.403 -2.663 1.00 0.00 O ATOM 157 CB LEU A 18 -4.053 7.283 -0.593 1.00 0.00 C ATOM 158 CG LEU A 18 -4.709 5.906 -0.397 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.014 5.217 0.790 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.233 5.993 -0.215 1.00 0.00 C ATOM 0 H LEU A 18 -3.439 7.121 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.603 8.347 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.977 7.141 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.217 7.874 0.308 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.575 5.309 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.460 4.236 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.952 5.102 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.137 5.825 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.641 4.991 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.461 6.598 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.679 6.452 -1.097 1.00 0.00 H new ATOM 172 N ALA A 19 -3.939 10.263 -0.939 1.00 0.00 N ATOM 173 CA ALA A 19 -3.074 11.368 -0.667 1.00 0.00 C ATOM 174 C ALA A 19 -2.823 11.457 0.800 1.00 0.00 C ATOM 175 O ALA A 19 -3.727 11.715 1.593 1.00 0.00 O ATOM 176 CB ALA A 19 -3.651 12.677 -1.232 1.00 0.00 C ATOM 0 H ALA A 19 -4.782 10.263 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.120 11.206 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.972 13.500 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.770 12.586 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.621 12.874 -0.775 1.00 0.00 H new ATOM 182 N LYS A 20 -1.572 11.207 1.223 1.00 0.00 N ATOM 183 CA LYS A 20 -1.083 11.273 2.566 1.00 0.00 C ATOM 184 C LYS A 20 -1.268 12.577 3.261 1.00 0.00 C ATOM 185 O LYS A 20 -1.160 13.660 2.688 1.00 0.00 O ATOM 186 CB LYS A 20 0.415 10.928 2.625 1.00 0.00 C ATOM 187 CG LYS A 20 1.206 11.629 1.520 1.00 0.00 C ATOM 188 CD LYS A 20 2.682 11.936 1.783 1.00 0.00 C ATOM 189 CE LYS A 20 3.626 10.735 1.685 1.00 0.00 C ATOM 190 NZ LYS A 20 5.002 11.242 1.483 1.00 0.00 N ATOM 0 H LYS A 20 -0.840 10.935 0.567 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.697 10.541 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.816 11.216 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.543 9.849 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.147 11.012 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.704 12.569 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.011 12.695 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.774 12.370 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.572 10.134 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.334 10.089 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.673 10.448 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.066 11.712 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.235 11.923 2.234 1.00 0.00 H new ATOM 204 N THR A 21 -1.528 12.507 4.578 1.00 0.00 N ATOM 205 CA THR A 21 -1.737 13.634 5.434 1.00 0.00 C ATOM 206 C THR A 21 -0.603 13.704 6.399 1.00 0.00 C ATOM 207 O THR A 21 -0.329 12.758 7.135 1.00 0.00 O ATOM 208 CB THR A 21 -3.102 13.604 6.056 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.434 14.821 6.709 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.324 12.461 7.060 1.00 0.00 C ATOM 0 H THR A 21 -1.596 11.617 5.072 1.00 0.00 H new ATOM 0 HA THR A 21 -1.733 14.565 4.867 1.00 0.00 H new ATOM 0 HB THR A 21 -3.755 13.440 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.332 14.751 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.337 12.518 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.185 11.504 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.607 12.550 7.877 1.00 0.00 H new ATOM 218 N ASP A 22 0.170 14.803 6.351 1.00 0.00 N ATOM 219 CA ASP A 22 1.449 15.017 6.954 1.00 0.00 C ATOM 220 C ASP A 22 2.386 13.860 7.010 1.00 0.00 C ATOM 221 O ASP A 22 2.960 13.523 8.046 1.00 0.00 O ATOM 222 CB ASP A 22 1.296 15.744 8.301 1.00 0.00 C ATOM 223 CG ASP A 22 2.561 16.463 8.746 1.00 0.00 C ATOM 224 OD1 ASP A 22 3.443 16.757 7.896 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.671 16.765 9.965 1.00 0.00 O ATOM 0 H ASP A 22 -0.136 15.627 5.834 1.00 0.00 H new ATOM 0 HA ASP A 22 1.971 15.666 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.484 16.467 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.010 15.021 9.065 1.00 0.00 H new ATOM 230 N GLY A 23 2.621 13.203 5.860 1.00 0.00 N ATOM 231 CA GLY A 23 3.495 12.074 5.766 1.00 0.00 C ATOM 232 C GLY A 23 2.955 10.821 6.365 1.00 0.00 C ATOM 233 O GLY A 23 3.647 10.139 7.120 1.00 0.00 O ATOM 0 H GLY A 23 2.192 13.463 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.720 11.891 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.437 12.319 6.256 1.00 0.00 H new ATOM 237 N SER A 24 1.698 10.467 6.039 1.00 0.00 N ATOM 238 CA SER A 24 1.006 9.355 6.612 1.00 0.00 C ATOM 239 C SER A 24 -0.271 9.193 5.861 1.00 0.00 C ATOM 240 O SER A 24 -1.193 10.003 5.923 1.00 0.00 O ATOM 241 CB SER A 24 0.738 9.462 8.122 1.00 0.00 C ATOM 242 OG SER A 24 0.093 8.301 8.627 1.00 0.00 O ATOM 0 H SER A 24 1.143 10.975 5.350 1.00 0.00 H new ATOM 0 HA SER A 24 1.652 8.482 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.680 9.612 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.119 10.337 8.320 1.00 0.00 H new ATOM 0 HG SER A 24 -0.060 8.404 9.590 1.00 0.00 H new ATOM 248 N LEU A 25 -0.365 8.093 5.093 1.00 0.00 N ATOM 249 CA LEU A 25 -1.541 7.568 4.470 1.00 0.00 C ATOM 250 C LEU A 25 -2.445 7.064 5.541 1.00 0.00 C ATOM 251 O LEU A 25 -3.648 7.314 5.592 1.00 0.00 O ATOM 252 CB LEU A 25 -1.132 6.351 3.625 1.00 0.00 C ATOM 253 CG LEU A 25 0.025 6.581 2.637 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.682 5.223 2.340 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.398 7.374 1.389 1.00 0.00 C ATOM 0 H LEU A 25 0.455 7.522 4.891 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.024 8.334 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.854 5.541 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.003 6.013 3.063 1.00 0.00 H new ATOM 0 HG LEU A 25 0.776 7.228 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.506 5.363 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.062 4.792 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.055 4.550 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.462 7.503 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.181 6.830 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.775 8.352 1.690 1.00 0.00 H new ATOM 267 N GLY A 26 -1.840 6.329 6.491 1.00 0.00 N ATOM 268 CA GLY A 26 -2.451 5.964 7.732 1.00 0.00 C ATOM 269 C GLY A 26 -2.462 4.489 7.941 1.00 0.00 C ATOM 270 O GLY A 26 -3.434 3.933 8.450 1.00 0.00 O ATOM 0 H GLY A 26 -0.889 5.975 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.916 6.442 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.474 6.340 7.756 1.00 0.00 H new ATOM 274 N ILE A 27 -1.344 3.835 7.582 1.00 0.00 N ATOM 275 CA ILE A 27 -1.140 2.458 7.911 1.00 0.00 C ATOM 276 C ILE A 27 0.101 2.289 8.719 1.00 0.00 C ATOM 277 O ILE A 27 1.144 2.877 8.441 1.00 0.00 O ATOM 278 CB ILE A 27 -1.167 1.599 6.683 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.108 2.040 5.658 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.602 1.680 6.135 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.102 1.213 4.372 1.00 0.00 C ATOM 0 H ILE A 27 -0.578 4.261 7.061 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.967 2.118 8.535 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.910 0.565 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.277 3.086 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.877 1.980 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.683 1.070 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.300 1.311 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.842 2.716 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.672 1.587 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.099 0.169 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.073 1.292 3.884 1.00 0.00 H new ATOM 293 N SER A 28 0.024 1.473 9.786 1.00 0.00 N ATOM 294 CA SER A 28 1.158 0.930 10.468 1.00 0.00 C ATOM 295 C SER A 28 1.600 -0.321 9.789 1.00 0.00 C ATOM 296 O SER A 28 0.899 -1.331 9.802 1.00 0.00 O ATOM 297 CB SER A 28 0.929 0.514 11.931 1.00 0.00 C ATOM 298 OG SER A 28 1.174 1.579 12.837 1.00 0.00 O ATOM 0 H SER A 28 -0.865 1.180 10.190 1.00 0.00 H new ATOM 0 HA SER A 28 1.880 1.747 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.097 0.166 12.051 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.581 -0.325 12.175 1.00 0.00 H new ATOM 0 HG SER A 28 1.015 1.272 13.754 1.00 0.00 H new ATOM 304 N VAL A 29 2.807 -0.310 9.195 1.00 0.00 N ATOM 305 CA VAL A 29 3.295 -1.435 8.459 1.00 0.00 C ATOM 306 C VAL A 29 3.925 -2.501 9.286 1.00 0.00 C ATOM 307 O VAL A 29 4.694 -2.241 10.211 1.00 0.00 O ATOM 308 CB VAL A 29 4.212 -0.997 7.356 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.414 -0.151 6.348 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.402 -0.207 7.927 1.00 0.00 C ATOM 0 H VAL A 29 3.448 0.483 9.225 1.00 0.00 H new ATOM 0 HA VAL A 29 2.407 -1.900 8.030 1.00 0.00 H new ATOM 0 HB VAL A 29 4.616 -1.871 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.073 0.172 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.601 -0.748 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.002 0.723 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.057 0.103 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.035 0.674 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.958 -0.838 8.620 1.00 0.00 H new ATOM 320 N THR A 30 3.624 -3.777 8.986 1.00 0.00 N ATOM 321 CA THR A 30 4.161 -4.949 9.605 1.00 0.00 C ATOM 322 C THR A 30 4.688 -5.879 8.568 1.00 0.00 C ATOM 323 O THR A 30 4.452 -5.715 7.371 1.00 0.00 O ATOM 324 CB THR A 30 3.194 -5.660 10.505 1.00 0.00 C ATOM 325 OG1 THR A 30 3.726 -6.735 11.266 1.00 0.00 O ATOM 326 CG2 THR A 30 1.955 -6.183 9.761 1.00 0.00 C ATOM 0 H THR A 30 2.952 -4.005 8.253 1.00 0.00 H new ATOM 0 HA THR A 30 4.972 -4.610 10.249 1.00 0.00 H new ATOM 0 HB THR A 30 2.923 -4.867 11.202 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.017 -7.127 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.294 -6.687 10.465 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.427 -5.347 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.265 -6.886 8.987 1.00 0.00 H new ATOM 334 N GLY A 31 5.481 -6.875 9.002 1.00 0.00 N ATOM 335 CA GLY A 31 6.188 -7.785 8.156 1.00 0.00 C ATOM 336 C GLY A 31 7.380 -7.168 7.509 1.00 0.00 C ATOM 337 O GLY A 31 8.010 -6.261 8.048 1.00 0.00 O ATOM 0 H GLY A 31 5.637 -7.054 9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.505 -8.647 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.513 -8.155 7.384 1.00 0.00 H new ATOM 341 N GLY A 32 7.714 -7.642 6.295 1.00 0.00 N ATOM 342 CA GLY A 32 8.789 -7.153 5.488 1.00 0.00 C ATOM 343 C GLY A 32 9.726 -8.277 5.209 1.00 0.00 C ATOM 344 O GLY A 32 9.652 -9.328 5.844 1.00 0.00 O ATOM 0 H GLY A 32 7.206 -8.408 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.404 -6.741 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.310 -6.345 6.002 1.00 0.00 H new ATOM 348 N VAL A 33 10.675 -8.103 4.272 1.00 0.00 N ATOM 349 CA VAL A 33 11.602 -9.130 3.910 1.00 0.00 C ATOM 350 C VAL A 33 12.512 -9.535 5.018 1.00 0.00 C ATOM 351 O VAL A 33 13.029 -10.650 5.061 1.00 0.00 O ATOM 352 CB VAL A 33 12.349 -8.768 2.660 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.515 -7.799 2.917 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.836 -10.042 1.948 1.00 0.00 C ATOM 0 H VAL A 33 10.801 -7.232 3.756 1.00 0.00 H new ATOM 0 HA VAL A 33 11.007 -10.018 3.698 1.00 0.00 H new ATOM 0 HB VAL A 33 11.652 -8.238 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.016 -7.575 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.132 -6.876 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.225 -8.258 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.377 -9.768 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.498 -10.599 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.979 -10.662 1.685 1.00 0.00 H new ATOM 364 N ASN A 34 12.693 -8.658 6.021 1.00 0.00 N ATOM 365 CA ASN A 34 13.466 -8.913 7.197 1.00 0.00 C ATOM 366 C ASN A 34 12.828 -9.880 8.133 1.00 0.00 C ATOM 367 O ASN A 34 13.514 -10.618 8.837 1.00 0.00 O ATOM 368 CB ASN A 34 13.862 -7.608 7.910 1.00 0.00 C ATOM 369 CG ASN A 34 12.660 -6.755 8.290 1.00 0.00 C ATOM 370 OD1 ASN A 34 11.964 -6.214 7.432 1.00 0.00 O ATOM 371 ND2 ASN A 34 12.398 -6.608 9.616 1.00 0.00 N ATOM 0 H ASN A 34 12.280 -7.725 6.011 1.00 0.00 H new ATOM 0 HA ASN A 34 14.379 -9.397 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.430 -7.848 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.521 -7.031 7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.608 -6.038 9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.991 -7.068 10.307 1.00 0.00 H new ATOM 378 N THR A 35 11.485 -9.956 8.166 1.00 0.00 N ATOM 379 CA THR A 35 10.764 -10.894 8.969 1.00 0.00 C ATOM 380 C THR A 35 10.009 -11.757 8.019 1.00 0.00 C ATOM 381 O THR A 35 8.800 -11.599 7.857 1.00 0.00 O ATOM 382 CB THR A 35 9.820 -10.269 9.953 1.00 0.00 C ATOM 383 OG1 THR A 35 10.496 -9.319 10.764 1.00 0.00 O ATOM 384 CG2 THR A 35 9.271 -11.323 10.930 1.00 0.00 C ATOM 0 H THR A 35 10.882 -9.345 7.616 1.00 0.00 H new ATOM 0 HA THR A 35 11.475 -11.449 9.581 1.00 0.00 H new ATOM 0 HB THR A 35 9.024 -9.809 9.368 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.863 -8.921 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.589 -10.846 11.634 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.738 -12.093 10.373 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.097 -11.778 11.477 1.00 0.00 H new ATOM 392 N SER A 36 10.712 -12.677 7.335 1.00 0.00 N ATOM 393 CA SER A 36 10.317 -13.453 6.202 1.00 0.00 C ATOM 394 C SER A 36 8.865 -13.712 5.993 1.00 0.00 C ATOM 395 O SER A 36 8.227 -14.478 6.714 1.00 0.00 O ATOM 396 CB SER A 36 11.056 -14.801 6.127 1.00 0.00 C ATOM 397 OG SER A 36 12.454 -14.601 5.983 1.00 0.00 O ATOM 0 H SER A 36 11.668 -12.900 7.612 1.00 0.00 H new ATOM 0 HA SER A 36 10.608 -12.778 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.858 -15.380 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.678 -15.382 5.285 1.00 0.00 H new ATOM 0 HG SER A 36 12.906 -15.469 5.939 1.00 0.00 H new ATOM 403 N VAL A 37 8.285 -13.031 4.988 1.00 0.00 N ATOM 404 CA VAL A 37 6.878 -12.895 4.767 1.00 0.00 C ATOM 405 C VAL A 37 6.370 -13.948 3.844 1.00 0.00 C ATOM 406 O VAL A 37 6.105 -15.076 4.257 1.00 0.00 O ATOM 407 CB VAL A 37 6.538 -11.505 4.318 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.404 -10.613 5.563 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.600 -10.881 3.396 1.00 0.00 C ATOM 0 H VAL A 37 8.837 -12.543 4.283 1.00 0.00 H new ATOM 0 HA VAL A 37 6.363 -13.050 5.715 1.00 0.00 H new ATOM 0 HB VAL A 37 5.611 -11.571 3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.157 -9.596 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.614 -11.001 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.347 -10.608 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.289 -9.876 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.553 -10.830 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.711 -11.494 2.502 1.00 0.00 H new ATOM 419 N ARG A 38 6.195 -13.645 2.545 1.00 0.00 N ATOM 420 CA ARG A 38 6.045 -14.614 1.505 1.00 0.00 C ATOM 421 C ARG A 38 7.130 -14.311 0.531 1.00 0.00 C ATOM 422 O ARG A 38 8.196 -14.924 0.551 1.00 0.00 O ATOM 423 CB ARG A 38 4.653 -14.596 0.852 1.00 0.00 C ATOM 424 CG ARG A 38 4.511 -15.601 -0.293 1.00 0.00 C ATOM 425 CD ARG A 38 3.128 -15.684 -0.944 1.00 0.00 C ATOM 426 NE ARG A 38 2.179 -16.253 0.055 1.00 0.00 N ATOM 427 CZ ARG A 38 1.849 -17.574 0.140 1.00 0.00 C ATOM 428 NH1 ARG A 38 2.417 -18.526 -0.657 1.00 0.00 N ATOM 429 NH2 ARG A 38 0.906 -17.961 1.048 1.00 0.00 N ATOM 0 H ARG A 38 6.157 -12.684 2.206 1.00 0.00 H new ATOM 0 HA ARG A 38 6.126 -15.626 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.900 -14.811 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.449 -13.594 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.239 -15.349 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.774 -16.590 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.798 -14.695 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.164 -16.311 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 38 1.747 -15.611 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.117 -18.260 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.141 -19.503 -0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.461 -17.267 1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.646 -18.944 1.126 1.00 0.00 H new ATOM 443 N HIS A 39 6.919 -13.291 -0.320 1.00 0.00 N ATOM 444 CA HIS A 39 7.958 -12.573 -0.992 1.00 0.00 C ATOM 445 C HIS A 39 7.712 -11.141 -0.659 1.00 0.00 C ATOM 446 O HIS A 39 6.551 -10.756 -0.528 1.00 0.00 O ATOM 447 CB HIS A 39 7.940 -12.788 -2.515 1.00 0.00 C ATOM 448 CG HIS A 39 9.152 -12.264 -3.228 1.00 0.00 C ATOM 449 ND1 HIS A 39 9.225 -10.947 -3.634 1.00 0.00 N ATOM 450 CD2 HIS A 39 10.291 -12.930 -3.560 1.00 0.00 C ATOM 451 CE1 HIS A 39 10.410 -10.834 -4.206 1.00 0.00 C ATOM 452 NE2 HIS A 39 11.098 -12.006 -4.192 1.00 0.00 N ATOM 0 H HIS A 39 5.985 -12.952 -0.550 1.00 0.00 H new ATOM 0 HA HIS A 39 8.940 -12.920 -0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.846 -13.855 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.054 -12.306 -2.928 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.517 -13.969 -3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.788 -9.918 -4.635 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.029 -12.171 -4.574 1.00 0.00 H new ATOM 460 N GLY A 40 8.787 -10.354 -0.482 1.00 0.00 N ATOM 461 CA GLY A 40 8.933 -8.966 -0.169 1.00 0.00 C ATOM 462 C GLY A 40 7.862 -8.218 0.548 1.00 0.00 C ATOM 463 O GLY A 40 8.051 -7.790 1.685 1.00 0.00 O ATOM 0 H GLY A 40 9.712 -10.773 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.842 -8.868 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.110 -8.445 -1.110 1.00 0.00 H new ATOM 467 N GLY A 41 6.734 -8.007 -0.154 1.00 0.00 N ATOM 468 CA GLY A 41 5.580 -7.229 0.172 1.00 0.00 C ATOM 469 C GLY A 41 5.172 -7.062 1.595 1.00 0.00 C ATOM 470 O GLY A 41 5.230 -7.993 2.398 1.00 0.00 O ATOM 0 H GLY A 41 6.622 -8.442 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.734 -6.232 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.734 -7.666 -0.359 1.00 0.00 H new ATOM 474 N ILE A 42 4.711 -5.848 1.945 1.00 0.00 N ATOM 475 CA ILE A 42 4.451 -5.413 3.282 1.00 0.00 C ATOM 476 C ILE A 42 3.016 -5.640 3.616 1.00 0.00 C ATOM 477 O ILE A 42 2.203 -5.972 2.756 1.00 0.00 O ATOM 478 CB ILE A 42 4.933 -4.007 3.488 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.403 -3.716 4.923 1.00 0.00 C ATOM 480 CG2 ILE A 42 3.951 -2.900 3.069 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.705 -4.443 5.258 1.00 0.00 C ATOM 0 H ILE A 42 4.508 -5.127 1.252 1.00 0.00 H new ATOM 0 HA ILE A 42 5.021 -6.009 3.994 1.00 0.00 H new ATOM 0 HB ILE A 42 5.784 -3.971 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.545 -2.642 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.628 -4.018 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.399 -1.925 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.728 -2.995 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.029 -2.995 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.000 -4.209 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.557 -5.518 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.488 -4.121 4.572 1.00 0.00 H new ATOM 493 N TYR A 43 2.614 -5.539 4.896 1.00 0.00 N ATOM 494 CA TYR A 43 1.268 -5.817 5.290 1.00 0.00 C ATOM 495 C TYR A 43 0.845 -4.752 6.242 1.00 0.00 C ATOM 496 O TYR A 43 1.671 -4.102 6.880 1.00 0.00 O ATOM 497 CB TYR A 43 1.144 -7.143 6.061 1.00 0.00 C ATOM 498 CG TYR A 43 1.499 -8.327 5.231 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.816 -8.625 4.969 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.512 -9.148 4.737 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.136 -9.694 4.166 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.830 -10.243 3.968 1.00 0.00 C ATOM 503 CZ TYR A 43 2.145 -10.504 3.663 1.00 0.00 C ATOM 504 OH TYR A 43 2.485 -11.559 2.792 1.00 0.00 O ATOM 0 H TYR A 43 3.227 -5.263 5.663 1.00 0.00 H new ATOM 0 HA TYR A 43 0.664 -5.867 4.384 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.792 -7.111 6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.122 -7.253 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.601 -8.018 5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.523 -8.931 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.170 -9.898 3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.050 -10.895 3.605 1.00 0.00 H new ATOM 0 HH TYR A 43 1.673 -12.038 2.526 1.00 0.00 H new ATOM 514 N VAL A 44 -0.473 -4.545 6.410 1.00 0.00 N ATOM 515 CA VAL A 44 -0.969 -3.615 7.377 1.00 0.00 C ATOM 516 C VAL A 44 -1.181 -4.274 8.696 1.00 0.00 C ATOM 517 O VAL A 44 -1.855 -5.300 8.783 1.00 0.00 O ATOM 518 CB VAL A 44 -2.288 -3.022 6.977 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.519 -1.785 7.861 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.302 -2.676 5.479 1.00 0.00 C ATOM 0 H VAL A 44 -1.198 -5.023 5.875 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.212 -2.833 7.441 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.098 -3.736 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.471 -1.324 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.536 -2.085 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.713 -1.068 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.269 -2.248 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.514 -1.954 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.133 -3.581 4.895 1.00 0.00 H new ATOM 530 N LYS A 45 -0.642 -3.704 9.789 1.00 0.00 N ATOM 531 CA LYS A 45 -0.947 -4.137 11.118 1.00 0.00 C ATOM 532 C LYS A 45 -2.142 -3.410 11.631 1.00 0.00 C ATOM 533 O LYS A 45 -3.174 -4.018 11.909 1.00 0.00 O ATOM 534 CB LYS A 45 0.214 -3.892 12.095 1.00 0.00 C ATOM 535 CG LYS A 45 0.087 -4.562 13.464 1.00 0.00 C ATOM 536 CD LYS A 45 0.006 -6.089 13.395 1.00 0.00 C ATOM 537 CE LYS A 45 0.563 -6.834 14.608 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.079 -6.400 15.869 1.00 0.00 N ATOM 0 H LYS A 45 0.018 -2.928 9.749 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.135 -5.209 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.136 -4.237 11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.316 -2.817 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.942 -4.279 14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.804 -4.182 13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.038 -6.374 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.542 -6.424 12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.413 -7.905 14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.638 -6.668 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.328 -6.930 16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.085 -5.383 16.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.102 -6.582 15.818 1.00 0.00 H new ATOM 552 N ALA A 46 -2.018 -2.077 11.762 1.00 0.00 N ATOM 553 CA ALA A 46 -3.009 -1.207 12.317 1.00 0.00 C ATOM 554 C ALA A 46 -3.369 -0.147 11.334 1.00 0.00 C ATOM 555 O ALA A 46 -2.511 0.462 10.697 1.00 0.00 O ATOM 556 CB ALA A 46 -2.512 -0.586 13.633 1.00 0.00 C ATOM 0 H ALA A 46 -1.179 -1.579 11.464 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.902 -1.792 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.281 0.072 14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.297 -1.378 14.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.605 -0.011 13.445 1.00 0.00 H new ATOM 562 N ILE A 47 -4.682 0.089 11.168 1.00 0.00 N ATOM 563 CA ILE A 47 -5.262 1.098 10.337 1.00 0.00 C ATOM 564 C ILE A 47 -5.602 2.270 11.193 1.00 0.00 C ATOM 565 O ILE A 47 -6.159 2.107 12.278 1.00 0.00 O ATOM 566 CB ILE A 47 -6.518 0.561 9.719 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.271 -0.680 8.844 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.263 1.629 8.900 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.491 -0.358 7.571 1.00 0.00 C ATOM 0 H ILE A 47 -5.389 -0.466 11.650 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.565 1.391 9.552 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.145 0.261 10.559 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.723 -1.424 9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.228 -1.127 8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.166 1.194 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.534 2.462 9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.618 1.989 8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.346 -1.270 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.049 0.364 6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.521 0.062 7.835 1.00 0.00 H new ATOM 581 N ILE A 48 -5.305 3.506 10.755 1.00 0.00 N ATOM 582 CA ILE A 48 -5.702 4.688 11.454 1.00 0.00 C ATOM 583 C ILE A 48 -7.153 4.964 11.265 1.00 0.00 C ATOM 584 O ILE A 48 -7.585 4.951 10.113 1.00 0.00 O ATOM 585 CB ILE A 48 -4.927 5.882 10.980 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.445 5.671 11.332 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.445 7.193 11.596 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.584 6.865 10.923 1.00 0.00 C ATOM 0 H ILE A 48 -4.780 3.688 9.900 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.498 4.513 12.510 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.053 5.974 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.347 5.504 12.405 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.079 4.773 10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.853 8.029 11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.490 7.337 11.320 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.360 7.144 12.682 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.545 6.673 11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.660 7.016 9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.932 7.759 11.440 1.00 0.00 H new ATOM 600 N PRO A 49 -7.935 5.250 12.264 1.00 0.00 N ATOM 601 CA PRO A 49 -9.273 5.743 12.104 1.00 0.00 C ATOM 602 C PRO A 49 -9.371 7.051 11.398 1.00 0.00 C ATOM 603 O PRO A 49 -9.264 8.105 12.022 1.00 0.00 O ATOM 604 CB PRO A 49 -9.836 5.829 13.521 1.00 0.00 C ATOM 605 CG PRO A 49 -9.071 4.728 14.271 1.00 0.00 C ATOM 606 CD PRO A 49 -7.676 4.847 13.638 1.00 0.00 C ATOM 0 HA PRO A 49 -9.840 5.070 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.665 6.811 13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.912 5.655 13.538 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.050 4.901 15.347 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.511 3.743 14.115 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.065 5.583 14.159 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.139 3.900 13.680 1.00 0.00 H new ATOM 614 N LYS A 50 -9.588 7.007 10.071 1.00 0.00 N ATOM 615 CA LYS A 50 -9.865 8.114 9.210 1.00 0.00 C ATOM 616 C LYS A 50 -8.677 8.965 8.916 1.00 0.00 C ATOM 617 O LYS A 50 -8.726 10.191 9.006 1.00 0.00 O ATOM 618 CB LYS A 50 -11.071 8.964 9.644 1.00 0.00 C ATOM 619 CG LYS A 50 -12.360 8.164 9.844 1.00 0.00 C ATOM 620 CD LYS A 50 -13.485 8.984 10.480 1.00 0.00 C ATOM 621 CE LYS A 50 -14.046 10.132 9.639 1.00 0.00 C ATOM 622 NZ LYS A 50 -14.695 9.607 8.417 1.00 0.00 N ATOM 0 H LYS A 50 -9.568 6.124 9.561 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.147 7.637 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.825 9.475 10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.247 9.735 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.697 7.783 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.149 7.299 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.304 8.308 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.119 9.396 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.767 10.702 10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.244 10.817 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.159 10.386 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.978 9.171 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.405 8.894 8.680 1.00 0.00 H new ATOM 636 N GLY A 51 -7.558 8.363 8.477 1.00 0.00 N ATOM 637 CA GLY A 51 -6.523 9.085 7.805 1.00 0.00 C ATOM 638 C GLY A 51 -6.884 9.195 6.364 1.00 0.00 C ATOM 639 O GLY A 51 -7.922 9.745 6.001 1.00 0.00 O ATOM 0 H GLY A 51 -7.369 7.367 8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.406 10.076 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.568 8.572 7.918 1.00 0.00 H new ATOM 643 N ALA A 52 -6.040 8.643 5.475 1.00 0.00 N ATOM 644 CA ALA A 52 -6.289 8.594 4.068 1.00 0.00 C ATOM 645 C ALA A 52 -6.581 7.203 3.620 1.00 0.00 C ATOM 646 O ALA A 52 -7.477 6.974 2.810 1.00 0.00 O ATOM 647 CB ALA A 52 -5.054 9.171 3.354 1.00 0.00 C ATOM 0 H ALA A 52 -5.154 8.216 5.745 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.170 9.186 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.213 9.148 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.896 10.201 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.177 8.574 3.605 1.00 0.00 H new ATOM 653 N ALA A 53 -5.846 6.210 4.150 1.00 0.00 N ATOM 654 CA ALA A 53 -5.922 4.828 3.787 1.00 0.00 C ATOM 655 C ALA A 53 -7.167 4.118 4.197 1.00 0.00 C ATOM 656 O ALA A 53 -7.806 3.472 3.368 1.00 0.00 O ATOM 657 CB ALA A 53 -4.683 4.104 4.340 1.00 0.00 C ATOM 0 H ALA A 53 -5.154 6.383 4.879 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.951 4.805 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.728 3.049 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.782 4.549 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.659 4.201 5.425 1.00 0.00 H new ATOM 663 N GLU A 54 -7.614 4.251 5.458 1.00 0.00 N ATOM 664 CA GLU A 54 -8.886 3.760 5.888 1.00 0.00 C ATOM 665 C GLU A 54 -10.003 4.359 5.102 1.00 0.00 C ATOM 666 O GLU A 54 -11.014 3.733 4.789 1.00 0.00 O ATOM 667 CB GLU A 54 -9.196 4.084 7.359 1.00 0.00 C ATOM 668 CG GLU A 54 -10.467 3.382 7.842 1.00 0.00 C ATOM 669 CD GLU A 54 -10.808 3.628 9.305 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.214 4.780 9.612 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.754 2.684 10.137 1.00 0.00 O ATOM 0 H GLU A 54 -7.080 4.710 6.196 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.817 2.682 5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.355 3.781 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.309 5.162 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.304 3.711 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.357 2.309 7.683 1.00 0.00 H new ATOM 678 N SER A 55 -9.805 5.634 4.724 1.00 0.00 N ATOM 679 CA SER A 55 -10.750 6.398 3.971 1.00 0.00 C ATOM 680 C SER A 55 -10.893 6.011 2.539 1.00 0.00 C ATOM 681 O SER A 55 -11.715 6.604 1.842 1.00 0.00 O ATOM 682 CB SER A 55 -10.439 7.902 4.036 1.00 0.00 C ATOM 683 OG SER A 55 -10.274 8.323 5.381 1.00 0.00 O ATOM 0 H SER A 55 -8.956 6.152 4.951 1.00 0.00 H new ATOM 0 HA SER A 55 -11.699 6.170 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.533 8.116 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.247 8.466 3.570 1.00 0.00 H new ATOM 0 HG SER A 55 -9.431 8.816 5.469 1.00 0.00 H new ATOM 689 N ASP A 56 -10.190 4.990 2.015 1.00 0.00 N ATOM 690 CA ASP A 56 -10.624 4.293 0.845 1.00 0.00 C ATOM 691 C ASP A 56 -11.793 3.454 1.230 1.00 0.00 C ATOM 692 O ASP A 56 -12.946 3.765 0.933 1.00 0.00 O ATOM 693 CB ASP A 56 -9.483 3.454 0.245 1.00 0.00 C ATOM 694 CG ASP A 56 -9.994 2.660 -0.948 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.382 3.296 -1.966 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.134 1.417 -0.801 1.00 0.00 O ATOM 0 H ASP A 56 -9.313 4.646 2.407 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.919 4.997 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.665 4.105 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.083 2.776 0.999 1.00 0.00 H new ATOM 701 N GLY A 57 -11.526 2.351 1.951 1.00 0.00 N ATOM 702 CA GLY A 57 -12.541 1.649 2.674 1.00 0.00 C ATOM 703 C GLY A 57 -12.382 0.168 2.634 1.00 0.00 C ATOM 704 O GLY A 57 -12.973 -0.557 3.434 1.00 0.00 O ATOM 0 H GLY A 57 -10.596 1.941 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.531 1.980 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.516 1.913 2.265 1.00 0.00 H new ATOM 708 N ARG A 58 -11.597 -0.328 1.661 1.00 0.00 N ATOM 709 CA ARG A 58 -11.453 -1.726 1.400 1.00 0.00 C ATOM 710 C ARG A 58 -10.295 -2.324 2.122 1.00 0.00 C ATOM 711 O ARG A 58 -10.195 -3.540 2.276 1.00 0.00 O ATOM 712 CB ARG A 58 -11.348 -1.877 -0.128 1.00 0.00 C ATOM 713 CG ARG A 58 -12.622 -1.464 -0.868 1.00 0.00 C ATOM 714 CD ARG A 58 -12.389 -0.996 -2.306 1.00 0.00 C ATOM 715 NE ARG A 58 -11.937 -2.175 -3.096 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.989 -2.259 -4.457 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.310 -1.202 -5.260 1.00 0.00 N ATOM 718 NH2 ARG A 58 -11.692 -3.457 -5.042 1.00 0.00 N ATOM 0 H ARG A 58 -11.046 0.262 1.037 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.314 -2.279 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.515 -1.274 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.117 -2.915 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.312 -2.308 -0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.108 -0.663 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.305 -0.582 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.639 -0.206 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.563 -2.974 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.526 -0.295 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.334 -1.320 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.440 -4.258 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.722 -3.550 -6.057 1.00 0.00 H new ATOM 732 N ILE A 59 -9.368 -1.496 2.634 1.00 0.00 N ATOM 733 CA ILE A 59 -8.235 -1.890 3.413 1.00 0.00 C ATOM 734 C ILE A 59 -8.618 -2.124 4.835 1.00 0.00 C ATOM 735 O ILE A 59 -9.294 -1.295 5.442 1.00 0.00 O ATOM 736 CB ILE A 59 -7.176 -0.830 3.418 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.969 -0.197 2.031 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.871 -1.452 3.941 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.905 0.900 2.036 1.00 0.00 C ATOM 0 H ILE A 59 -9.413 -0.487 2.495 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.856 -2.804 2.957 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.496 -0.019 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.682 -0.973 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.914 0.220 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.086 -0.695 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.027 -1.828 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.573 -2.274 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.801 1.311 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.202 1.692 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.951 0.481 2.357 1.00 0.00 H new ATOM 751 N HIS A 60 -8.168 -3.236 5.442 1.00 0.00 N ATOM 752 CA HIS A 60 -8.278 -3.408 6.858 1.00 0.00 C ATOM 753 C HIS A 60 -7.096 -4.136 7.402 1.00 0.00 C ATOM 754 O HIS A 60 -6.187 -4.541 6.680 1.00 0.00 O ATOM 755 CB HIS A 60 -9.602 -4.063 7.285 1.00 0.00 C ATOM 756 CG HIS A 60 -10.637 -3.040 7.647 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.513 -2.331 8.824 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.736 -2.634 6.956 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.542 -1.504 8.831 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.319 -1.647 7.724 1.00 0.00 N ATOM 0 H HIS A 60 -7.728 -4.016 4.953 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.289 -2.409 7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.976 -4.688 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.425 -4.719 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.081 -3.007 6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.743 -0.797 9.622 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.168 -1.126 7.504 1.00 0.00 H new ATOM 768 N LYS A 61 -7.056 -4.314 8.734 1.00 0.00 N ATOM 769 CA LYS A 61 -5.973 -4.886 9.472 1.00 0.00 C ATOM 770 C LYS A 61 -5.733 -6.313 9.116 1.00 0.00 C ATOM 771 O LYS A 61 -6.501 -7.199 9.489 1.00 0.00 O ATOM 772 CB LYS A 61 -6.270 -4.767 10.976 1.00 0.00 C ATOM 773 CG LYS A 61 -6.297 -3.319 11.470 1.00 0.00 C ATOM 774 CD LYS A 61 -6.702 -3.064 12.923 1.00 0.00 C ATOM 775 CE LYS A 61 -5.979 -3.823 14.038 1.00 0.00 C ATOM 776 NZ LYS A 61 -6.672 -5.087 14.376 1.00 0.00 N ATOM 0 H LYS A 61 -7.833 -4.040 9.335 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.068 -4.335 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.231 -5.235 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.515 -5.321 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.303 -2.897 11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.980 -2.760 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.579 -1.998 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.766 -3.284 13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.957 -4.040 13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.916 -3.194 14.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.154 -5.575 15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.639 -4.878 14.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.710 -5.698 13.535 1.00 0.00 H new ATOM 790 N GLY A 62 -4.679 -6.603 8.333 1.00 0.00 N ATOM 791 CA GLY A 62 -4.407 -7.922 7.856 1.00 0.00 C ATOM 792 C GLY A 62 -3.942 -8.002 6.442 1.00 0.00 C ATOM 793 O GLY A 62 -3.190 -8.913 6.101 1.00 0.00 O ATOM 0 H GLY A 62 -4.001 -5.906 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.650 -8.374 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.311 -8.522 7.959 1.00 0.00 H new ATOM 797 N ASP A 63 -4.388 -7.084 5.567 1.00 0.00 N ATOM 798 CA ASP A 63 -4.183 -7.160 4.154 1.00 0.00 C ATOM 799 C ASP A 63 -2.781 -6.878 3.736 1.00 0.00 C ATOM 800 O ASP A 63 -1.987 -6.288 4.467 1.00 0.00 O ATOM 801 CB ASP A 63 -5.115 -6.184 3.416 1.00 0.00 C ATOM 802 CG ASP A 63 -6.569 -6.574 3.643 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.919 -7.779 3.515 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.390 -5.686 3.994 1.00 0.00 O ATOM 0 H ASP A 63 -4.911 -6.257 5.854 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.409 -8.192 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.944 -5.168 3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.891 -6.192 2.349 1.00 0.00 H new ATOM 809 N ARG A 64 -2.423 -7.302 2.512 1.00 0.00 N ATOM 810 CA ARG A 64 -1.108 -7.176 1.964 1.00 0.00 C ATOM 811 C ARG A 64 -1.020 -5.995 1.060 1.00 0.00 C ATOM 812 O ARG A 64 -1.876 -5.754 0.212 1.00 0.00 O ATOM 813 CB ARG A 64 -0.721 -8.458 1.204 1.00 0.00 C ATOM 814 CG ARG A 64 0.720 -8.531 0.697 1.00 0.00 C ATOM 815 CD ARG A 64 1.017 -9.875 0.028 1.00 0.00 C ATOM 816 NE ARG A 64 2.423 -9.888 -0.462 1.00 0.00 N ATOM 817 CZ ARG A 64 2.792 -10.024 -1.769 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.899 -10.068 -2.801 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.117 -10.127 -2.077 1.00 0.00 N ATOM 0 H ARG A 64 -3.080 -7.753 1.875 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.409 -7.029 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.898 -9.311 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.391 -8.566 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.897 -7.724 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.407 -8.379 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.861 -10.688 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.330 -10.039 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 64 3.165 -9.788 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.899 -9.998 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.232 -10.171 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.817 -10.102 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.408 -10.229 -3.049 1.00 0.00 H new ATOM 833 N VAL A 65 0.054 -5.198 1.206 1.00 0.00 N ATOM 834 CA VAL A 65 0.418 -4.119 0.341 1.00 0.00 C ATOM 835 C VAL A 65 1.608 -4.565 -0.438 1.00 0.00 C ATOM 836 O VAL A 65 2.676 -4.821 0.115 1.00 0.00 O ATOM 837 CB VAL A 65 0.677 -2.816 1.036 1.00 0.00 C ATOM 838 CG1 VAL A 65 -0.274 -1.772 0.427 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.484 -2.908 2.559 1.00 0.00 C ATOM 0 H VAL A 65 0.710 -5.316 1.978 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.431 -3.900 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 65 1.719 -2.532 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.113 -0.808 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.077 -1.680 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.306 -2.087 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.685 -1.936 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.541 -3.205 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.172 -3.648 2.969 1.00 0.00 H new ATOM 849 N LEU A 66 1.490 -4.729 -1.768 1.00 0.00 N ATOM 850 CA LEU A 66 2.528 -5.289 -2.577 1.00 0.00 C ATOM 851 C LEU A 66 3.313 -4.278 -3.340 1.00 0.00 C ATOM 852 O LEU A 66 4.481 -4.524 -3.638 1.00 0.00 O ATOM 853 CB LEU A 66 2.024 -6.404 -3.509 1.00 0.00 C ATOM 854 CG LEU A 66 0.822 -6.083 -4.413 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.889 -6.916 -5.704 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.503 -6.392 -3.696 1.00 0.00 C ATOM 0 H LEU A 66 0.655 -4.467 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 66 3.213 -5.738 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.853 -6.710 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.762 -7.264 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 66 0.863 -5.020 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.032 -6.679 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.809 -6.684 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.873 -7.977 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.338 -6.156 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.536 -7.449 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.576 -5.790 -2.790 1.00 0.00 H new ATOM 868 N ALA A 67 2.724 -3.120 -3.688 1.00 0.00 N ATOM 869 CA ALA A 67 3.444 -2.147 -4.448 1.00 0.00 C ATOM 870 C ALA A 67 2.859 -0.782 -4.327 1.00 0.00 C ATOM 871 O ALA A 67 1.754 -0.600 -3.817 1.00 0.00 O ATOM 872 CB ALA A 67 3.480 -2.555 -5.930 1.00 0.00 C ATOM 0 H ALA A 67 1.767 -2.860 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 67 4.455 -2.112 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.031 -1.807 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.973 -3.522 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.462 -2.626 -6.313 1.00 0.00 H new ATOM 878 N VAL A 68 3.607 0.244 -4.770 1.00 0.00 N ATOM 879 CA VAL A 68 3.141 1.594 -4.700 1.00 0.00 C ATOM 880 C VAL A 68 3.625 2.414 -5.847 1.00 0.00 C ATOM 881 O VAL A 68 4.787 2.291 -6.230 1.00 0.00 O ATOM 882 CB VAL A 68 3.519 2.220 -3.391 1.00 0.00 C ATOM 883 CG1 VAL A 68 4.990 2.664 -3.342 1.00 0.00 C ATOM 884 CG2 VAL A 68 2.549 3.386 -3.135 1.00 0.00 C ATOM 0 H VAL A 68 4.536 0.138 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 68 2.053 1.566 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 68 3.432 1.479 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.203 3.109 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.636 1.800 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.175 3.398 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.797 3.864 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.634 4.114 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.528 3.007 -3.094 1.00 0.00 H new ATOM 894 N ASN A 69 2.797 3.243 -6.507 1.00 0.00 N ATOM 895 CA ASN A 69 3.166 3.951 -7.693 1.00 0.00 C ATOM 896 C ASN A 69 3.650 3.114 -8.828 1.00 0.00 C ATOM 897 O ASN A 69 4.347 3.605 -9.715 1.00 0.00 O ATOM 898 CB ASN A 69 4.206 5.058 -7.451 1.00 0.00 C ATOM 899 CG ASN A 69 3.924 5.951 -6.251 1.00 0.00 C ATOM 900 OD1 ASN A 69 4.699 5.994 -5.298 1.00 0.00 O ATOM 901 ND2 ASN A 69 2.838 6.767 -6.321 1.00 0.00 N ATOM 0 H ASN A 69 1.840 3.426 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 69 2.209 4.385 -7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.184 4.595 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.266 5.681 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.652 7.434 -5.572 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.210 6.712 -7.123 1.00 0.00 H new ATOM 908 N GLY A 70 3.340 1.806 -8.856 1.00 0.00 N ATOM 909 CA GLY A 70 3.925 0.854 -9.748 1.00 0.00 C ATOM 910 C GLY A 70 5.228 0.281 -9.306 1.00 0.00 C ATOM 911 O GLY A 70 5.907 -0.383 -10.088 1.00 0.00 O ATOM 0 H GLY A 70 2.650 1.393 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.219 0.037 -9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.067 1.330 -10.718 1.00 0.00 H new ATOM 915 N VAL A 71 5.643 0.504 -8.047 1.00 0.00 N ATOM 916 CA VAL A 71 6.907 0.125 -7.497 1.00 0.00 C ATOM 917 C VAL A 71 6.712 -0.983 -6.521 1.00 0.00 C ATOM 918 O VAL A 71 6.209 -0.803 -5.413 1.00 0.00 O ATOM 919 CB VAL A 71 7.661 1.225 -6.811 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.082 0.758 -6.452 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.748 2.444 -7.745 1.00 0.00 C ATOM 0 H VAL A 71 5.053 0.983 -7.366 1.00 0.00 H new ATOM 0 HA VAL A 71 7.510 -0.175 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 71 7.135 1.494 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.616 1.568 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.025 -0.102 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.613 0.477 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.296 3.245 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.267 2.164 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.743 2.789 -7.988 1.00 0.00 H new ATOM 931 N SER A 72 7.102 -2.209 -6.914 1.00 0.00 N ATOM 932 CA SER A 72 7.075 -3.392 -6.111 1.00 0.00 C ATOM 933 C SER A 72 7.935 -3.359 -4.894 1.00 0.00 C ATOM 934 O SER A 72 9.063 -2.867 -4.893 1.00 0.00 O ATOM 935 CB SER A 72 7.391 -4.654 -6.932 1.00 0.00 C ATOM 936 OG SER A 72 8.734 -4.702 -7.390 1.00 0.00 O ATOM 0 H SER A 72 7.459 -2.384 -7.853 1.00 0.00 H new ATOM 0 HA SER A 72 6.046 -3.429 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.190 -5.535 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.720 -4.699 -7.790 1.00 0.00 H new ATOM 0 HG SER A 72 8.926 -5.594 -7.748 1.00 0.00 H new ATOM 942 N LEU A 73 7.446 -3.933 -3.781 1.00 0.00 N ATOM 943 CA LEU A 73 8.154 -4.071 -2.547 1.00 0.00 C ATOM 944 C LEU A 73 9.014 -5.287 -2.496 1.00 0.00 C ATOM 945 O LEU A 73 9.223 -5.904 -1.452 1.00 0.00 O ATOM 946 CB LEU A 73 7.135 -4.129 -1.397 1.00 0.00 C ATOM 947 CG LEU A 73 6.492 -2.778 -1.042 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.230 -3.035 -0.202 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.457 -1.912 -0.215 1.00 0.00 C ATOM 0 H LEU A 73 6.504 -4.322 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 73 8.815 -3.209 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.346 -4.833 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.630 -4.525 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 73 6.248 -2.255 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.765 -2.084 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.527 -3.639 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.502 -3.565 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.979 -0.962 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.712 -2.432 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.364 -1.728 -0.790 1.00 0.00 H new ATOM 961 N GLU A 74 9.604 -5.693 -3.635 1.00 0.00 N ATOM 962 CA GLU A 74 10.437 -6.850 -3.736 1.00 0.00 C ATOM 963 C GLU A 74 11.763 -6.637 -3.090 1.00 0.00 C ATOM 964 O GLU A 74 12.637 -5.945 -3.609 1.00 0.00 O ATOM 965 CB GLU A 74 10.600 -7.263 -5.208 1.00 0.00 C ATOM 966 CG GLU A 74 9.286 -7.786 -5.793 1.00 0.00 C ATOM 967 CD GLU A 74 9.391 -8.105 -7.277 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.641 -7.171 -8.085 1.00 0.00 O ATOM 969 OE2 GLU A 74 9.229 -9.302 -7.638 1.00 0.00 O ATOM 0 H GLU A 74 9.496 -5.196 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 74 9.947 -7.662 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.944 -6.409 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.367 -8.033 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.984 -8.683 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.503 -7.043 -5.640 1.00 0.00 H new ATOM 976 N GLY A 75 11.943 -7.204 -1.884 1.00 0.00 N ATOM 977 CA GLY A 75 13.115 -7.024 -1.085 1.00 0.00 C ATOM 978 C GLY A 75 13.032 -5.881 -0.133 1.00 0.00 C ATOM 979 O GLY A 75 14.044 -5.474 0.433 1.00 0.00 O ATOM 0 H GLY A 75 11.247 -7.810 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.302 -7.939 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.971 -6.874 -1.743 1.00 0.00 H new ATOM 983 N ALA A 76 11.837 -5.312 0.105 1.00 0.00 N ATOM 984 CA ALA A 76 11.677 -4.227 1.023 1.00 0.00 C ATOM 985 C ALA A 76 11.452 -4.686 2.422 1.00 0.00 C ATOM 986 O ALA A 76 10.754 -5.662 2.693 1.00 0.00 O ATOM 987 CB ALA A 76 10.558 -3.282 0.554 1.00 0.00 C ATOM 0 H ALA A 76 10.971 -5.608 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 76 12.616 -3.673 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.451 -2.463 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.809 -2.880 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.619 -3.833 0.491 1.00 0.00 H new ATOM 993 N THR A 77 12.066 -3.994 3.400 1.00 0.00 N ATOM 994 CA THR A 77 12.055 -4.314 4.795 1.00 0.00 C ATOM 995 C THR A 77 10.979 -3.557 5.493 1.00 0.00 C ATOM 996 O THR A 77 10.103 -2.970 4.860 1.00 0.00 O ATOM 997 CB THR A 77 13.357 -3.974 5.457 1.00 0.00 C ATOM 998 OG1 THR A 77 13.684 -2.595 5.363 1.00 0.00 O ATOM 999 CG2 THR A 77 14.517 -4.716 4.772 1.00 0.00 C ATOM 0 H THR A 77 12.607 -3.153 3.201 1.00 0.00 H new ATOM 0 HA THR A 77 11.883 -5.388 4.867 1.00 0.00 H new ATOM 0 HB THR A 77 13.230 -4.261 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.539 -2.430 5.812 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.455 -4.458 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.353 -5.791 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.566 -4.425 3.723 1.00 0.00 H new ATOM 1007 N HIS A 78 11.017 -3.462 6.834 1.00 0.00 N ATOM 1008 CA HIS A 78 10.241 -2.508 7.565 1.00 0.00 C ATOM 1009 C HIS A 78 10.555 -1.100 7.189 1.00 0.00 C ATOM 1010 O HIS A 78 9.663 -0.337 6.822 1.00 0.00 O ATOM 1011 CB HIS A 78 10.386 -2.606 9.093 1.00 0.00 C ATOM 1012 CG HIS A 78 9.564 -1.591 9.833 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.202 -1.703 9.909 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.881 -0.376 10.354 1.00 0.00 C ATOM 1015 CE1 HIS A 78 7.707 -0.611 10.460 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.704 0.207 10.743 1.00 0.00 N ATOM 0 H HIS A 78 11.598 -4.059 7.422 1.00 0.00 H new ATOM 0 HA HIS A 78 9.219 -2.766 7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.094 -3.605 9.416 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.435 -2.479 9.361 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.656 -2.504 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.870 0.048 10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.661 -0.418 10.648 1.00 0.00 H new ATOM 1025 N LYS A 79 11.836 -0.695 7.256 1.00 0.00 N ATOM 1026 CA LYS A 79 12.245 0.625 6.888 1.00 0.00 C ATOM 1027 C LYS A 79 12.087 0.870 5.427 1.00 0.00 C ATOM 1028 O LYS A 79 11.555 1.902 5.020 1.00 0.00 O ATOM 1029 CB LYS A 79 13.690 0.949 7.302 1.00 0.00 C ATOM 1030 CG LYS A 79 13.891 1.002 8.818 1.00 0.00 C ATOM 1031 CD LYS A 79 15.087 1.862 9.230 1.00 0.00 C ATOM 1032 CE LYS A 79 16.456 1.304 8.837 1.00 0.00 C ATOM 1033 NZ LYS A 79 17.520 2.241 9.262 1.00 0.00 N ATOM 0 H LYS A 79 12.600 -1.293 7.571 1.00 0.00 H new ATOM 0 HA LYS A 79 11.580 1.290 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.358 0.198 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.977 1.908 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.989 1.396 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.030 -0.011 9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.974 2.851 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.063 1.995 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.609 0.330 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.501 1.153 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.448 1.857 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.378 3.161 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.482 2.364 10.294 1.00 0.00 H new ATOM 1047 N GLN A 80 12.494 -0.070 4.555 1.00 0.00 N ATOM 1048 CA GLN A 80 12.344 0.128 3.147 1.00 0.00 C ATOM 1049 C GLN A 80 10.939 0.132 2.648 1.00 0.00 C ATOM 1050 O GLN A 80 10.630 0.898 1.737 1.00 0.00 O ATOM 1051 CB GLN A 80 13.240 -0.846 2.363 1.00 0.00 C ATOM 1052 CG GLN A 80 13.891 -0.127 1.180 1.00 0.00 C ATOM 1053 CD GLN A 80 14.882 -1.039 0.470 1.00 0.00 C ATOM 1054 OE1 GLN A 80 16.019 -1.187 0.914 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.430 -1.676 -0.644 1.00 0.00 N ATOM 0 H GLN A 80 12.922 -0.957 4.821 1.00 0.00 H new ATOM 0 HA GLN A 80 12.682 1.147 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.009 -1.253 3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.648 -1.689 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.122 0.198 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.402 0.770 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.477 -1.518 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.044 -2.312 -1.153 1.00 0.00 H new ATOM 1064 N ALA A 81 9.999 -0.645 3.212 1.00 0.00 N ATOM 1065 CA ALA A 81 8.615 -0.499 2.879 1.00 0.00 C ATOM 1066 C ALA A 81 8.036 0.813 3.284 1.00 0.00 C ATOM 1067 O ALA A 81 7.300 1.433 2.519 1.00 0.00 O ATOM 1068 CB ALA A 81 7.768 -1.613 3.514 1.00 0.00 C ATOM 0 H ALA A 81 10.195 -1.374 3.898 1.00 0.00 H new ATOM 0 HA ALA A 81 8.582 -0.562 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.722 -1.474 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.111 -2.582 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.870 -1.574 4.599 1.00 0.00 H new ATOM 1074 N VAL A 82 8.424 1.317 4.469 1.00 0.00 N ATOM 1075 CA VAL A 82 8.120 2.651 4.885 1.00 0.00 C ATOM 1076 C VAL A 82 8.598 3.648 3.885 1.00 0.00 C ATOM 1077 O VAL A 82 7.792 4.439 3.396 1.00 0.00 O ATOM 1078 CB VAL A 82 8.660 3.005 6.238 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.690 4.516 6.527 1.00 0.00 C ATOM 1080 CG2 VAL A 82 7.802 2.304 7.305 1.00 0.00 C ATOM 0 H VAL A 82 8.961 0.785 5.154 1.00 0.00 H new ATOM 0 HA VAL A 82 7.033 2.685 4.957 1.00 0.00 H new ATOM 0 HB VAL A 82 9.697 2.670 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.094 4.688 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.320 5.015 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.678 4.917 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.181 2.551 8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.768 2.639 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.848 1.225 7.157 1.00 0.00 H new ATOM 1090 N GLU A 83 9.878 3.656 3.476 1.00 0.00 N ATOM 1091 CA GLU A 83 10.375 4.619 2.543 1.00 0.00 C ATOM 1092 C GLU A 83 9.884 4.500 1.141 1.00 0.00 C ATOM 1093 O GLU A 83 9.884 5.474 0.390 1.00 0.00 O ATOM 1094 CB GLU A 83 11.911 4.707 2.548 1.00 0.00 C ATOM 1095 CG GLU A 83 12.484 4.859 3.958 1.00 0.00 C ATOM 1096 CD GLU A 83 13.742 5.715 3.984 1.00 0.00 C ATOM 1097 OE1 GLU A 83 13.643 6.946 3.734 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.824 5.160 4.315 1.00 0.00 O ATOM 0 H GLU A 83 10.578 2.986 3.796 1.00 0.00 H new ATOM 0 HA GLU A 83 9.947 5.547 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.325 3.811 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.225 5.554 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.731 5.305 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.710 3.873 4.363 1.00 0.00 H new ATOM 1105 N THR A 84 9.374 3.317 0.753 1.00 0.00 N ATOM 1106 CA THR A 84 8.659 3.075 -0.461 1.00 0.00 C ATOM 1107 C THR A 84 7.387 3.850 -0.488 1.00 0.00 C ATOM 1108 O THR A 84 7.026 4.421 -1.515 1.00 0.00 O ATOM 1109 CB THR A 84 8.426 1.608 -0.668 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.675 0.935 -0.742 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.684 1.212 -1.955 1.00 0.00 C ATOM 0 H THR A 84 9.468 2.477 1.324 1.00 0.00 H new ATOM 0 HA THR A 84 9.271 3.422 -1.294 1.00 0.00 H new ATOM 0 HB THR A 84 7.802 1.329 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.177 1.084 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.575 0.128 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.698 1.676 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.252 1.550 -2.821 1.00 0.00 H new ATOM 1119 N LEU A 85 6.720 4.004 0.671 1.00 0.00 N ATOM 1120 CA LEU A 85 5.550 4.806 0.851 1.00 0.00 C ATOM 1121 C LEU A 85 5.817 6.218 1.241 1.00 0.00 C ATOM 1122 O LEU A 85 5.142 7.131 0.767 1.00 0.00 O ATOM 1123 CB LEU A 85 4.674 4.108 1.904 1.00 0.00 C ATOM 1124 CG LEU A 85 4.143 2.749 1.419 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.894 1.781 2.588 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.853 2.916 0.599 1.00 0.00 C ATOM 0 H LEU A 85 7.015 3.542 1.531 1.00 0.00 H new ATOM 0 HA LEU A 85 5.048 4.884 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.253 3.964 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.833 4.753 2.159 1.00 0.00 H new ATOM 0 HG LEU A 85 4.915 2.321 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.519 0.833 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.827 1.611 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.158 2.212 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.502 1.938 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.088 3.388 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.053 3.541 -0.271 1.00 0.00 H new ATOM 1138 N ARG A 86 6.788 6.518 2.122 1.00 0.00 N ATOM 1139 CA ARG A 86 7.094 7.847 2.556 1.00 0.00 C ATOM 1140 C ARG A 86 7.781 8.727 1.571 1.00 0.00 C ATOM 1141 O ARG A 86 7.385 9.882 1.422 1.00 0.00 O ATOM 1142 CB ARG A 86 7.598 8.014 4.000 1.00 0.00 C ATOM 1143 CG ARG A 86 8.904 7.415 4.529 1.00 0.00 C ATOM 1144 CD ARG A 86 10.203 7.957 3.929 1.00 0.00 C ATOM 1145 NE ARG A 86 10.400 9.352 4.414 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.583 10.033 4.379 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.732 9.510 3.859 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.605 11.283 4.927 1.00 0.00 N ATOM 0 H ARG A 86 7.383 5.808 2.549 1.00 0.00 H new ATOM 0 HA ARG A 86 6.082 8.250 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.663 9.088 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.806 7.632 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.937 7.570 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.876 6.338 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.046 7.331 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.155 7.937 2.840 1.00 0.00 H new ATOM 0 HE ARG A 86 9.590 9.835 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.733 8.566 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.589 10.063 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.758 11.673 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.468 11.827 4.922 1.00 0.00 H new ATOM 1162 N ASN A 87 8.794 8.235 0.834 1.00 0.00 N ATOM 1163 CA ASN A 87 9.600 9.019 -0.048 1.00 0.00 C ATOM 1164 C ASN A 87 8.992 9.094 -1.406 1.00 0.00 C ATOM 1165 O ASN A 87 9.630 8.891 -2.438 1.00 0.00 O ATOM 1166 CB ASN A 87 11.033 8.462 -0.079 1.00 0.00 C ATOM 1167 CG ASN A 87 12.058 9.518 -0.469 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.318 10.469 0.266 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.701 9.348 -1.656 1.00 0.00 N ATOM 0 H ASN A 87 9.061 7.251 0.854 1.00 0.00 H new ATOM 0 HA ASN A 87 9.648 10.042 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.285 8.060 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.083 7.633 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.413 10.016 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.471 8.552 -2.251 1.00 0.00 H new ATOM 1176 N THR A 88 7.679 9.390 -1.438 1.00 0.00 N ATOM 1177 CA THR A 88 6.821 9.501 -2.577 1.00 0.00 C ATOM 1178 C THR A 88 6.571 10.926 -2.933 1.00 0.00 C ATOM 1179 O THR A 88 6.992 11.853 -2.242 1.00 0.00 O ATOM 1180 CB THR A 88 5.509 8.830 -2.298 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.996 9.187 -1.024 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.762 7.313 -2.264 1.00 0.00 C ATOM 0 H THR A 88 7.169 9.570 -0.573 1.00 0.00 H new ATOM 0 HA THR A 88 7.320 9.015 -3.415 1.00 0.00 H new ATOM 0 HB THR A 88 4.798 9.131 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.067 8.421 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.826 6.792 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.158 6.989 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.482 7.082 -1.479 1.00 0.00 H new ATOM 1190 N GLY A 89 5.856 11.157 -4.048 1.00 0.00 N ATOM 1191 CA GLY A 89 5.438 12.448 -4.496 1.00 0.00 C ATOM 1192 C GLY A 89 3.967 12.632 -4.347 1.00 0.00 C ATOM 1193 O GLY A 89 3.225 12.592 -5.327 1.00 0.00 O ATOM 0 H GLY A 89 5.555 10.405 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.961 13.217 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.717 12.579 -5.541 1.00 0.00 H new ATOM 1197 N GLN A 90 3.496 12.854 -3.107 1.00 0.00 N ATOM 1198 CA GLN A 90 2.178 13.254 -2.723 1.00 0.00 C ATOM 1199 C GLN A 90 1.080 12.262 -2.905 1.00 0.00 C ATOM 1200 O GLN A 90 0.324 11.991 -1.974 1.00 0.00 O ATOM 1201 CB GLN A 90 1.807 14.641 -3.274 1.00 0.00 C ATOM 1202 CG GLN A 90 0.860 15.443 -2.377 1.00 0.00 C ATOM 1203 CD GLN A 90 1.551 15.952 -1.120 1.00 0.00 C ATOM 1204 OE1 GLN A 90 2.775 15.973 -1.002 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.750 16.415 -0.123 1.00 0.00 N ATOM 0 H GLN A 90 4.101 12.741 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 90 2.259 13.317 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.721 15.216 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.344 14.518 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.461 16.288 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.013 14.818 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.264 16.393 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.163 16.784 0.733 1.00 0.00 H new ATOM 1214 N VAL A 91 0.952 11.660 -4.101 1.00 0.00 N ATOM 1215 CA VAL A 91 0.005 10.638 -4.422 1.00 0.00 C ATOM 1216 C VAL A 91 0.626 9.297 -4.230 1.00 0.00 C ATOM 1217 O VAL A 91 1.756 9.020 -4.630 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.567 10.752 -5.805 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.236 9.466 -6.318 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.583 11.905 -5.755 1.00 0.00 C ATOM 0 H VAL A 91 1.548 11.903 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.834 10.769 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 91 0.244 10.936 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.623 9.633 -7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.504 8.659 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.056 9.193 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.034 12.035 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.361 11.673 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.076 12.825 -5.464 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.135 8.394 -3.589 1.00 0.00 N ATOM 1231 CA VAL A 92 0.218 7.014 -3.449 1.00 0.00 C ATOM 1232 C VAL A 92 -0.848 6.214 -4.112 1.00 0.00 C ATOM 1233 O VAL A 92 -1.968 6.093 -3.617 1.00 0.00 O ATOM 1234 CB VAL A 92 0.433 6.689 -2.000 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.061 5.251 -1.603 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.902 6.989 -1.656 1.00 0.00 C ATOM 0 H VAL A 92 -1.026 8.631 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 92 1.163 6.772 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.247 7.314 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.249 5.107 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.995 5.078 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.665 4.548 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.084 6.760 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.554 6.377 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.111 8.043 -1.839 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.548 5.628 -5.285 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.320 4.559 -5.836 1.00 0.00 C ATOM 1248 C HIS A 93 -0.955 3.284 -5.154 1.00 0.00 C ATOM 1249 O HIS A 93 0.097 2.712 -5.433 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.186 4.360 -7.355 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.823 5.446 -8.169 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -3.093 5.552 -8.645 1.00 0.00 N flip ATOM 1253 CD2 HIS A 93 -1.093 6.563 -8.521 1.00 0.00 C flip ATOM 1254 CE1 HIS A 93 -3.161 6.774 -9.281 1.00 0.00 C flip ATOM 1255 NE2 HIS A 93 -1.932 7.346 -9.172 1.00 0.00 N flip ATOM 0 H HIS A 93 0.247 5.903 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.359 4.841 -5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.128 4.300 -7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.635 3.405 -7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.052 6.756 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.025 7.196 -9.772 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.690 8.264 -9.546 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.798 2.796 -4.226 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.553 1.651 -3.405 1.00 0.00 C ATOM 1265 C LEU A 94 -1.959 0.421 -4.140 1.00 0.00 C ATOM 1266 O LEU A 94 -3.137 0.226 -4.436 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.383 1.704 -2.110 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.746 2.297 -0.843 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.419 1.716 0.411 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.249 1.968 -0.709 1.00 0.00 C ATOM 0 H LEU A 94 -2.703 3.227 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.491 1.641 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.288 2.274 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.695 0.686 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.879 3.375 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.959 2.144 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.482 1.959 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.294 0.633 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.141 2.415 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.116 0.887 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.290 2.369 -1.568 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.003 -0.482 -4.424 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.315 -1.796 -4.891 1.00 0.00 C ATOM 1284 C LEU A 95 -1.470 -2.711 -3.726 1.00 0.00 C ATOM 1285 O LEU A 95 -0.497 -3.140 -3.107 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.229 -2.325 -5.843 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.794 -2.992 -7.108 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.345 -3.714 -7.846 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.977 -3.939 -6.841 1.00 0.00 C ATOM 0 H LEU A 95 -0.004 -0.298 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.250 -1.752 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.420 -1.499 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.392 -3.044 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.206 -2.201 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.048 -4.190 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.113 -2.993 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.778 -4.472 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.318 -4.369 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.659 -4.738 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.792 -3.382 -6.380 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.739 -3.013 -3.398 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.163 -3.851 -2.319 1.00 0.00 C ATOM 1303 C LEU A 96 -3.616 -5.178 -2.824 1.00 0.00 C ATOM 1304 O LEU A 96 -4.223 -5.277 -3.888 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.364 -3.203 -1.611 1.00 0.00 C ATOM 1306 CG LEU A 96 -4.019 -1.956 -0.778 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.905 -0.752 -1.137 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.162 -2.298 0.715 1.00 0.00 C ATOM 0 H LEU A 96 -3.528 -2.643 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.318 -3.976 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.107 -2.929 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.827 -3.943 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.992 -1.669 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.623 0.103 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.771 -0.503 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.950 -1.002 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.920 -1.420 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.187 -2.606 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.481 -3.110 0.969 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.368 -6.250 -2.050 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.995 -7.528 -2.185 1.00 0.00 C ATOM 1322 C GLU A 97 -4.901 -7.643 -1.007 1.00 0.00 C ATOM 1323 O GLU A 97 -4.463 -7.617 0.142 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.022 -8.719 -2.160 1.00 0.00 C ATOM 1325 CG GLU A 97 -2.699 -9.344 -3.518 1.00 0.00 C ATOM 1326 CD GLU A 97 -1.845 -10.595 -3.384 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -0.741 -10.540 -2.778 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.279 -11.680 -3.855 1.00 0.00 O ATOM 0 H GLU A 97 -2.692 -6.222 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.493 -7.573 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.089 -8.392 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.441 -9.492 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.627 -9.593 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.177 -8.614 -4.137 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.215 -7.815 -1.238 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.123 -8.153 -0.185 1.00 0.00 C ATOM 1337 C LYS A 98 -6.944 -9.600 0.120 1.00 0.00 C ATOM 1338 O LYS A 98 -7.008 -10.403 -0.809 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.575 -7.911 -0.632 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.632 -8.017 0.468 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.559 -6.849 1.453 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.388 -7.050 2.723 1.00 0.00 C ATOM 1343 NZ LYS A 98 -10.062 -5.994 3.708 1.00 0.00 N ATOM 0 H LYS A 98 -6.650 -7.720 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.921 -7.537 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.638 -6.918 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.819 -8.628 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.623 -8.047 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.499 -8.954 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.518 -6.689 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.897 -5.943 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.451 -7.020 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.185 -8.033 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.699 -6.074 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.077 -6.105 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.181 -5.060 3.267 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.690 -9.987 1.383 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.485 -11.344 1.787 1.00 0.00 C ATOM 1359 C GLY A 99 -7.460 -12.343 1.270 1.00 0.00 C ATOM 1360 O GLY A 99 -7.123 -13.080 0.344 1.00 0.00 O ATOM 0 H GLY A 99 -6.625 -9.325 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.486 -11.647 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.502 -11.382 2.876 1.00 0.00 H new ATOM 1364 N GLN A 100 -8.679 -12.387 1.838 1.00 0.00 N ATOM 1365 CA GLN A 100 -9.896 -12.754 1.182 1.00 0.00 C ATOM 1366 C GLN A 100 -11.057 -12.734 2.116 1.00 0.00 C ATOM 1367 O GLN A 100 -11.886 -13.643 2.113 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.919 -14.032 0.329 1.00 0.00 C ATOM 1369 CG GLN A 100 -9.538 -15.313 1.073 1.00 0.00 C ATOM 1370 CD GLN A 100 -9.759 -16.543 0.204 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -9.289 -16.622 -0.930 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -10.495 -17.549 0.746 1.00 0.00 N ATOM 0 H GLN A 100 -8.823 -12.151 2.820 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.976 -11.964 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.919 -14.155 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.238 -13.902 -0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.492 -15.263 1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.131 -15.397 1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.872 -17.454 1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.671 -18.399 0.210 1.00 0.00 H new ATOM 1381 N VAL A 101 -11.201 -11.690 2.951 1.00 0.00 N ATOM 1382 CA VAL A 101 -12.297 -11.550 3.860 1.00 0.00 C ATOM 1383 C VAL A 101 -13.373 -10.709 3.267 1.00 0.00 C ATOM 1384 O VAL A 101 -13.099 -9.545 2.977 1.00 0.00 O ATOM 1385 CB VAL A 101 -11.846 -10.956 5.161 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -13.014 -10.768 6.144 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -10.812 -11.896 5.800 1.00 0.00 C ATOM 0 H VAL A 101 -10.535 -10.919 2.996 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.694 -12.547 4.052 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.417 -9.976 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.642 -10.335 7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -13.756 -10.101 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -13.473 -11.734 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.475 -11.476 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.267 -12.871 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.960 -12.009 5.130 1.00 0.00 H new ATOM 1397 N PRO A 102 -14.576 -11.157 3.058 1.00 0.00 N ATOM 1398 CA PRO A 102 -15.711 -10.300 2.876 1.00 0.00 C ATOM 1399 C PRO A 102 -16.120 -9.652 4.154 1.00 0.00 C ATOM 1400 O PRO A 102 -16.353 -10.377 5.157 1.00 0.00 O ATOM 1401 CB PRO A 102 -16.835 -11.209 2.383 1.00 0.00 C ATOM 1402 CG PRO A 102 -16.127 -12.480 1.888 1.00 0.00 C ATOM 1403 CD PRO A 102 -14.924 -12.552 2.842 1.00 0.00 C ATOM 1404 OXT PRO A 102 -16.268 -8.401 4.192 1.00 0.00 O ATOM 0 HA PRO A 102 -15.479 -9.498 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -17.540 -11.435 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -17.403 -10.736 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -16.764 -13.361 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -15.819 -12.399 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -15.182 -13.050 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -14.096 -13.108 2.402 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 11.762 -2.860 15.797 1.00 0.00 N ATOM 1414 CA TYR B 205 10.889 -1.746 16.001 1.00 0.00 C ATOM 1415 C TYR B 205 9.515 -2.103 15.548 1.00 0.00 C ATOM 1416 O TYR B 205 8.622 -2.323 16.364 1.00 0.00 O ATOM 1417 CB TYR B 205 11.365 -0.476 15.274 1.00 0.00 C ATOM 1418 CG TYR B 205 12.581 0.110 15.902 1.00 0.00 C ATOM 1419 CD1 TYR B 205 12.479 0.752 17.114 1.00 0.00 C ATOM 1420 CD2 TYR B 205 13.800 0.073 15.266 1.00 0.00 C ATOM 1421 CE1 TYR B 205 13.576 1.355 17.683 1.00 0.00 C ATOM 1422 CE2 TYR B 205 14.905 0.663 15.833 1.00 0.00 C ATOM 1423 CZ TYR B 205 14.792 1.309 17.042 1.00 0.00 C ATOM 1424 OH TYR B 205 15.916 1.942 17.614 1.00 0.00 O ATOM 0 HA TYR B 205 10.892 -1.522 17.068 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.576 -0.714 14.231 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.564 0.264 15.277 1.00 0.00 H new ATOM 0 HD1 TYR B 205 11.528 0.783 17.624 1.00 0.00 H new ATOM 0 HD2 TYR B 205 13.890 -0.424 14.312 1.00 0.00 H new ATOM 0 HE1 TYR B 205 13.483 1.864 18.631 1.00 0.00 H new ATOM 0 HE2 TYR B 205 15.860 0.619 15.330 1.00 0.00 H new ATOM 0 HH TYR B 205 16.695 1.813 17.034 1.00 0.00 H new ATOM 1434 N LEU B 206 9.311 -2.166 14.220 1.00 0.00 N ATOM 1435 CA LEU B 206 8.068 -2.413 13.559 1.00 0.00 C ATOM 1436 C LEU B 206 7.097 -1.288 13.663 1.00 0.00 C ATOM 1437 O LEU B 206 7.318 -0.314 14.383 1.00 0.00 O ATOM 1438 CB LEU B 206 7.423 -3.743 13.983 1.00 0.00 C ATOM 1439 CG LEU B 206 6.536 -4.485 12.969 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.383 -5.053 11.817 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.861 -5.636 13.734 1.00 0.00 C ATOM 0 H LEU B 206 10.076 -2.034 13.559 1.00 0.00 H new ATOM 0 HA LEU B 206 8.331 -2.495 12.504 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.224 -4.420 14.280 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.821 -3.551 14.872 1.00 0.00 H new ATOM 0 HG LEU B 206 5.802 -3.807 12.534 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.735 -5.574 11.112 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.895 -4.238 11.306 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.119 -5.750 12.216 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.218 -6.196 13.055 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.624 -6.300 14.141 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.262 -5.229 14.549 1.00 0.00 H new ATOM 1453 N VAL B 207 5.974 -1.382 12.929 1.00 0.00 N ATOM 1454 CA VAL B 207 4.811 -0.551 12.984 1.00 0.00 C ATOM 1455 C VAL B 207 5.032 0.922 13.004 1.00 0.00 C ATOM 1456 O VAL B 207 5.210 1.582 14.026 1.00 0.00 O ATOM 1457 CB VAL B 207 3.702 -1.037 13.869 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.124 -2.316 13.239 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.151 -1.281 15.319 1.00 0.00 C ATOM 0 H VAL B 207 5.873 -2.115 12.227 1.00 0.00 H new ATOM 0 HA VAL B 207 4.416 -0.700 11.979 1.00 0.00 H new ATOM 0 HB VAL B 207 2.939 -0.262 13.935 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.313 -2.694 13.862 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.742 -2.091 12.243 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.907 -3.071 13.165 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.304 -1.631 15.908 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.939 -2.034 15.334 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.529 -0.351 15.744 1.00 0.00 H new ATOM 1469 N THR B 208 5.036 1.490 11.785 1.00 0.00 N ATOM 1470 CA THR B 208 5.339 2.866 11.536 1.00 0.00 C ATOM 1471 C THR B 208 4.194 3.331 10.703 1.00 0.00 C ATOM 1472 O THR B 208 3.891 2.695 9.695 1.00 0.00 O ATOM 1473 CB THR B 208 6.609 3.061 10.764 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.729 2.709 11.563 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.832 4.510 10.299 1.00 0.00 C ATOM 0 H THR B 208 4.819 0.968 10.936 1.00 0.00 H new ATOM 0 HA THR B 208 5.477 3.407 12.472 1.00 0.00 H new ATOM 0 HB THR B 208 6.511 2.422 9.886 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.080 1.842 11.270 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.770 4.575 9.747 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.009 4.815 9.653 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.875 5.168 11.167 1.00 0.00 H new ATOM 1483 N SER B 209 3.554 4.425 11.151 1.00 0.00 N ATOM 1484 CA SER B 209 2.553 5.194 10.478 1.00 0.00 C ATOM 1485 C SER B 209 3.138 5.788 9.243 1.00 0.00 C ATOM 1486 O SER B 209 4.141 6.498 9.304 1.00 0.00 O ATOM 1487 CB SER B 209 2.049 6.405 11.281 1.00 0.00 C ATOM 1488 OG SER B 209 1.520 6.063 12.553 1.00 0.00 O ATOM 0 H SER B 209 3.759 4.807 12.074 1.00 0.00 H new ATOM 0 HA SER B 209 1.733 4.498 10.302 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.871 7.108 11.416 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.281 6.919 10.703 1.00 0.00 H new ATOM 0 HG SER B 209 1.220 6.875 13.012 1.00 0.00 H new ATOM 1494 N VAL B 210 2.552 5.526 8.062 1.00 0.00 N ATOM 1495 CA VAL B 210 3.138 5.926 6.821 1.00 0.00 C ATOM 1496 C VAL B 210 1.940 6.084 5.895 1.00 0.00 C ATOM 1497 O VAL B 210 0.817 5.618 6.227 1.00 0.00 O ATOM 1498 CB VAL B 210 4.175 4.963 6.323 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.566 3.620 5.885 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.961 5.647 5.191 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.106 6.820 4.887 1.00 0.00 O ATOM 0 H VAL B 210 1.664 5.033 7.966 1.00 0.00 H new ATOM 0 HA VAL B 210 3.710 6.851 6.902 1.00 0.00 H new ATOM 0 HB VAL B 210 4.856 4.711 7.136 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.358 2.959 5.533 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.057 3.158 6.731 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.851 3.790 5.080 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.722 4.965 4.813 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.279 5.913 4.384 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.440 6.548 5.574 1.00 0.00 H new TER 1511 VAL B 210