USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 976 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 23 HIS : no HD1:sc= 1.06 K(o=3.1,f=-8.4!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 1.95 K(o=3.1,f=-6.6!) USER MOD Set 1.3: A 113 CYS SG : rot 80:sc= 0.0815 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.429 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.945 K(o=1.4,f=-0.69) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.78 USER MOD Set 3.2: A 61 LYS NZ :NH3+ -173:sc= 1.79 (180deg=0.981) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00132) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0108 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 30:sc= 0.58 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 178:sc= 0 (180deg=-0.0127) USER MOD Single : A 52 SER OG : rot 72:sc= 1.21 USER MOD Single : A 55 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 69:sc= 1.81 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.18 K(o=1.2,f=-0.71) USER MOD Single : A 77 ASN : amide:sc= 0.922 K(o=0.92,f=-2.5!) USER MOD Single : A 78 ASN : amide:sc= 1.21 K(o=1.2,f=-5.6!) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.09) USER MOD Single : A 80 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0437 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.14) USER MOD Single : A 102 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.06) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -87:sc= 1.29 USER MOD Single : A 115 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.26) USER MOD Single : A 118 ASN : amide:sc= 0.998 K(o=1,f=-0.42) USER MOD Single : A 122 TYR OH : rot 180:sc= 0.0902 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.057 9.357 -0.587 1.00 0.00 N ATOM 2 CA MET A 1 8.133 8.412 -0.978 1.00 0.00 C ATOM 3 C MET A 1 7.531 7.252 -1.779 1.00 0.00 C ATOM 4 O MET A 1 6.480 6.720 -1.409 1.00 0.00 O ATOM 5 CB MET A 1 8.915 7.915 0.257 1.00 0.00 C ATOM 6 CG MET A 1 10.213 7.184 -0.118 1.00 0.00 C ATOM 7 SD MET A 1 11.230 6.708 1.308 1.00 0.00 S ATOM 8 CE MET A 1 12.690 6.060 0.450 1.00 0.00 C ATOM 0 H1 MET A 1 7.155 9.597 0.420 1.00 0.00 H new ATOM 0 H2 MET A 1 7.131 10.223 -1.158 1.00 0.00 H new ATOM 0 H3 MET A 1 6.130 8.914 -0.749 1.00 0.00 H new ATOM 0 HA MET A 1 8.851 8.931 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.153 8.764 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.281 7.246 0.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.962 6.289 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.802 7.825 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.407 5.688 1.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.392 5.247 -0.212 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.150 6.855 -0.137 1.00 0.00 H new ATOM 20 N ARG A 2 8.165 6.857 -2.895 1.00 0.00 N ATOM 21 CA ARG A 2 7.658 5.765 -3.738 1.00 0.00 C ATOM 22 C ARG A 2 7.732 4.423 -3.006 1.00 0.00 C ATOM 23 O ARG A 2 6.786 3.637 -3.090 1.00 0.00 O ATOM 24 CB ARG A 2 8.424 5.691 -5.073 1.00 0.00 C ATOM 25 CG ARG A 2 8.166 6.919 -5.966 1.00 0.00 C ATOM 26 CD ARG A 2 8.889 6.818 -7.317 1.00 0.00 C ATOM 27 NE ARG A 2 8.329 5.759 -8.177 1.00 0.00 N ATOM 28 CZ ARG A 2 8.848 5.346 -9.342 1.00 0.00 C ATOM 29 NH1 ARG A 2 9.966 5.890 -9.819 1.00 0.00 N ATOM 30 NH2 ARG A 2 8.241 4.383 -10.029 1.00 0.00 N ATOM 0 H ARG A 2 9.030 7.279 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 2 6.612 5.979 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.492 5.609 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.130 4.788 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.094 7.023 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.495 7.819 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.822 7.775 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.947 6.621 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 2 7.474 5.302 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.437 6.629 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.352 5.568 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.384 3.962 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.632 4.065 -10.916 1.00 0.00 H new ATOM 44 N ALA A 3 8.831 4.160 -2.291 1.00 0.00 N ATOM 45 CA ALA A 3 8.954 2.978 -1.442 1.00 0.00 C ATOM 46 C ALA A 3 7.906 3.047 -0.317 1.00 0.00 C ATOM 47 O ALA A 3 7.674 4.137 0.213 1.00 0.00 O ATOM 48 CB ALA A 3 10.370 2.899 -0.856 1.00 0.00 C ATOM 0 H ALA A 3 9.656 4.760 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 3 8.778 2.081 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.453 2.015 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.096 2.836 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.568 3.790 -0.261 1.00 0.00 H new ATOM 54 N PRO A 4 7.302 1.917 0.095 1.00 0.00 N ATOM 55 CA PRO A 4 6.251 1.919 1.109 1.00 0.00 C ATOM 56 C PRO A 4 6.776 2.207 2.523 1.00 0.00 C ATOM 57 O PRO A 4 5.980 2.605 3.375 1.00 0.00 O ATOM 58 CB PRO A 4 5.601 0.535 1.026 1.00 0.00 C ATOM 59 CG PRO A 4 6.712 -0.360 0.484 1.00 0.00 C ATOM 60 CD PRO A 4 7.499 0.574 -0.435 1.00 0.00 C ATOM 0 HA PRO A 4 5.539 2.721 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.256 0.196 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.734 0.540 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.336 -0.756 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.310 -1.215 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.557 0.310 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.141 0.503 -1.462 1.00 0.00 H new ATOM 68 N ILE A 5 8.083 2.007 2.767 1.00 0.00 N ATOM 69 CA ILE A 5 8.748 2.083 4.077 1.00 0.00 C ATOM 70 C ILE A 5 7.852 1.526 5.210 1.00 0.00 C ATOM 71 O ILE A 5 7.518 2.239 6.161 1.00 0.00 O ATOM 72 CB ILE A 5 9.358 3.490 4.320 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.344 4.655 4.218 1.00 0.00 C ATOM 74 CG2 ILE A 5 10.523 3.703 3.333 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.903 6.004 4.689 1.00 0.00 C ATOM 0 H ILE A 5 8.736 1.777 2.018 1.00 0.00 H new ATOM 0 HA ILE A 5 9.609 1.415 4.080 1.00 0.00 H new ATOM 0 HB ILE A 5 9.708 3.508 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.016 4.749 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.463 4.410 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.960 4.688 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.282 2.938 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.151 3.633 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.135 6.771 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.205 5.928 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.767 6.272 4.081 1.00 0.00 H new ATOM 87 N PRO A 6 7.387 0.267 5.075 1.00 0.00 N ATOM 88 CA PRO A 6 6.376 -0.313 5.934 1.00 0.00 C ATOM 89 C PRO A 6 7.019 -0.786 7.246 1.00 0.00 C ATOM 90 O PRO A 6 8.245 -0.770 7.407 1.00 0.00 O ATOM 91 CB PRO A 6 5.824 -1.470 5.095 1.00 0.00 C ATOM 92 CG PRO A 6 7.048 -1.992 4.342 1.00 0.00 C ATOM 93 CD PRO A 6 8.025 -0.814 4.336 1.00 0.00 C ATOM 0 HA PRO A 6 5.587 0.378 6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.381 -2.243 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.047 -1.132 4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.478 -2.862 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.790 -2.299 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.971 -1.094 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.250 -0.504 3.316 1.00 0.00 H new ATOM 101 N GLU A 7 6.195 -1.262 8.177 1.00 0.00 N ATOM 102 CA GLU A 7 6.652 -1.807 9.451 1.00 0.00 C ATOM 103 C GLU A 7 5.899 -3.126 9.697 1.00 0.00 C ATOM 104 O GLU A 7 5.010 -3.182 10.551 1.00 0.00 O ATOM 105 CB GLU A 7 6.504 -0.752 10.562 1.00 0.00 C ATOM 106 CG GLU A 7 7.416 0.460 10.302 1.00 0.00 C ATOM 107 CD GLU A 7 7.380 1.458 11.472 1.00 0.00 C ATOM 108 OE1 GLU A 7 6.502 2.352 11.493 1.00 0.00 O ATOM 109 OE2 GLU A 7 8.239 1.375 12.379 1.00 0.00 O ATOM 0 H GLU A 7 5.181 -1.280 8.066 1.00 0.00 H new ATOM 0 HA GLU A 7 7.716 -2.046 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.466 -0.424 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.752 -1.197 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.439 0.119 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.103 0.961 9.386 1.00 0.00 H new ATOM 116 N PRO A 8 6.175 -4.168 8.883 1.00 0.00 N ATOM 117 CA PRO A 8 5.453 -5.432 8.937 1.00 0.00 C ATOM 118 C PRO A 8 5.661 -6.159 10.265 1.00 0.00 C ATOM 119 O PRO A 8 6.668 -5.970 10.958 1.00 0.00 O ATOM 120 CB PRO A 8 5.964 -6.272 7.759 1.00 0.00 C ATOM 121 CG PRO A 8 7.327 -5.665 7.418 1.00 0.00 C ATOM 122 CD PRO A 8 7.201 -4.209 7.849 1.00 0.00 C ATOM 0 HA PRO A 8 4.379 -5.259 8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.055 -7.324 8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.283 -6.220 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.133 -6.170 7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.546 -5.749 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.151 -3.834 8.231 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.925 -3.577 7.004 1.00 0.00 H new ATOM 130 N LYS A 9 4.732 -7.063 10.572 1.00 0.00 N ATOM 131 CA LYS A 9 4.789 -7.979 11.705 1.00 0.00 C ATOM 132 C LYS A 9 4.545 -9.390 11.171 1.00 0.00 C ATOM 133 O LYS A 9 3.830 -9.537 10.174 1.00 0.00 O ATOM 134 CB LYS A 9 3.709 -7.603 12.733 1.00 0.00 C ATOM 135 CG LYS A 9 3.998 -6.266 13.436 1.00 0.00 C ATOM 136 CD LYS A 9 2.916 -5.952 14.480 1.00 0.00 C ATOM 137 CE LYS A 9 3.128 -4.587 15.155 1.00 0.00 C ATOM 138 NZ LYS A 9 4.326 -4.549 16.033 1.00 0.00 N ATOM 0 H LYS A 9 3.886 -7.180 10.014 1.00 0.00 H new ATOM 0 HA LYS A 9 5.760 -7.925 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.742 -7.544 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.634 -8.393 13.480 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.974 -6.308 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.041 -5.464 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.937 -5.969 14.000 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.912 -6.733 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.224 -3.820 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.245 -4.339 15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.415 -3.604 16.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.227 -5.260 16.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.176 -4.756 15.470 1.00 0.00 H new ATOM 152 N PRO A 10 5.134 -10.436 11.777 1.00 0.00 N ATOM 153 CA PRO A 10 4.799 -11.817 11.459 1.00 0.00 C ATOM 154 C PRO A 10 3.276 -11.998 11.437 1.00 0.00 C ATOM 155 O PRO A 10 2.582 -11.576 12.365 1.00 0.00 O ATOM 156 CB PRO A 10 5.498 -12.664 12.527 1.00 0.00 C ATOM 157 CG PRO A 10 6.702 -11.805 12.911 1.00 0.00 C ATOM 158 CD PRO A 10 6.142 -10.388 12.827 1.00 0.00 C ATOM 0 HA PRO A 10 5.136 -12.122 10.468 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.848 -12.853 13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.803 -13.635 12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.064 -12.039 13.912 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.538 -11.951 12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.706 -10.080 13.777 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.925 -9.669 12.588 1.00 0.00 H new ATOM 166 N GLY A 11 2.763 -12.586 10.356 1.00 0.00 N ATOM 167 CA GLY A 11 1.344 -12.689 10.059 1.00 0.00 C ATOM 168 C GLY A 11 0.922 -11.766 8.913 1.00 0.00 C ATOM 169 O GLY A 11 -0.232 -11.832 8.502 1.00 0.00 O ATOM 0 H GLY A 11 3.349 -13.017 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.103 -13.720 9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.769 -12.442 10.952 1.00 0.00 H new ATOM 173 N ASP A 12 1.793 -10.896 8.389 1.00 0.00 N ATOM 174 CA ASP A 12 1.422 -9.993 7.294 1.00 0.00 C ATOM 175 C ASP A 12 1.679 -10.645 5.939 1.00 0.00 C ATOM 176 O ASP A 12 2.582 -11.475 5.796 1.00 0.00 O ATOM 177 CB ASP A 12 2.166 -8.654 7.401 1.00 0.00 C ATOM 178 CG ASP A 12 1.593 -7.746 8.500 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.374 -7.840 8.796 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.344 -6.887 9.011 1.00 0.00 O ATOM 0 H ASP A 12 2.758 -10.798 8.705 1.00 0.00 H new ATOM 0 HA ASP A 12 0.354 -9.791 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.220 -8.843 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.114 -8.136 6.443 1.00 0.00 H new ATOM 185 N LEU A 13 0.888 -10.260 4.931 1.00 0.00 N ATOM 186 CA LEU A 13 1.079 -10.714 3.559 1.00 0.00 C ATOM 187 C LEU A 13 2.232 -9.940 2.935 1.00 0.00 C ATOM 188 O LEU A 13 2.342 -8.722 3.101 1.00 0.00 O ATOM 189 CB LEU A 13 -0.157 -10.474 2.676 1.00 0.00 C ATOM 190 CG LEU A 13 -1.414 -11.329 2.920 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.351 -11.208 1.718 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.074 -12.804 3.141 1.00 0.00 C ATOM 0 H LEU A 13 0.099 -9.625 5.049 1.00 0.00 H new ATOM 0 HA LEU A 13 1.274 -11.785 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.442 -9.428 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.145 -10.617 1.638 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.895 -10.956 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.242 -11.813 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.640 -10.165 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.840 -11.560 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.992 -13.368 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.564 -13.196 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.424 -12.901 4.011 1.00 0.00 H new ATOM 204 N ILE A 14 3.015 -10.635 2.123 1.00 0.00 N ATOM 205 CA ILE A 14 4.146 -10.111 1.383 1.00 0.00 C ATOM 206 C ILE A 14 3.878 -10.413 -0.088 1.00 0.00 C ATOM 207 O ILE A 14 3.331 -11.464 -0.430 1.00 0.00 O ATOM 208 CB ILE A 14 5.433 -10.813 1.885 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.703 -10.577 3.387 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.671 -10.454 1.040 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.959 -9.119 3.791 1.00 0.00 C ATOM 0 H ILE A 14 2.868 -11.631 1.956 1.00 0.00 H new ATOM 0 HA ILE A 14 4.279 -9.038 1.521 1.00 0.00 H new ATOM 0 HB ILE A 14 5.245 -11.879 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.850 -10.949 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.566 -11.174 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.544 -10.973 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.506 -10.757 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.839 -9.378 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.137 -9.065 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.832 -8.742 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.090 -8.513 3.536 1.00 0.00 H new ATOM 223 N GLU A 15 4.315 -9.521 -0.967 1.00 0.00 N ATOM 224 CA GLU A 15 4.367 -9.783 -2.387 1.00 0.00 C ATOM 225 C GLU A 15 5.768 -9.429 -2.862 1.00 0.00 C ATOM 226 O GLU A 15 6.407 -8.514 -2.346 1.00 0.00 O ATOM 227 CB GLU A 15 3.253 -9.062 -3.151 1.00 0.00 C ATOM 228 CG GLU A 15 3.503 -7.564 -3.367 1.00 0.00 C ATOM 229 CD GLU A 15 2.374 -6.940 -4.198 1.00 0.00 C ATOM 230 OE1 GLU A 15 2.014 -7.488 -5.263 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.864 -5.869 -3.804 1.00 0.00 O ATOM 0 H GLU A 15 4.644 -8.591 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 15 4.179 -10.837 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.126 -9.541 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.316 -9.188 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.574 -7.059 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.457 -7.419 -3.874 1.00 0.00 H new ATOM 238 N ILE A 16 6.241 -10.168 -3.849 1.00 0.00 N ATOM 239 CA ILE A 16 7.595 -10.163 -4.352 1.00 0.00 C ATOM 240 C ILE A 16 7.428 -9.658 -5.776 1.00 0.00 C ATOM 241 O ILE A 16 7.058 -10.424 -6.670 1.00 0.00 O ATOM 242 CB ILE A 16 8.178 -11.593 -4.286 1.00 0.00 C ATOM 243 CG1 ILE A 16 8.024 -12.291 -2.912 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.633 -11.606 -4.788 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.902 -11.719 -1.802 1.00 0.00 C ATOM 0 H ILE A 16 5.648 -10.829 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 16 8.291 -9.544 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 16 7.570 -12.198 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.981 -12.225 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.255 -13.350 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.027 -12.621 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.665 -11.258 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.239 -10.948 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.726 -12.270 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.951 -11.810 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.657 -10.668 -1.649 1.00 0.00 H new ATOM 257 N PHE A 17 7.575 -8.351 -5.976 1.00 0.00 N ATOM 258 CA PHE A 17 7.450 -7.799 -7.318 1.00 0.00 C ATOM 259 C PHE A 17 8.628 -8.295 -8.159 1.00 0.00 C ATOM 260 O PHE A 17 9.769 -8.306 -7.695 1.00 0.00 O ATOM 261 CB PHE A 17 7.298 -6.271 -7.293 1.00 0.00 C ATOM 262 CG PHE A 17 5.925 -5.835 -7.768 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.663 -5.761 -9.152 1.00 0.00 C ATOM 264 CD2 PHE A 17 4.889 -5.579 -6.846 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.376 -5.428 -9.611 1.00 0.00 C ATOM 266 CE2 PHE A 17 3.602 -5.251 -7.312 1.00 0.00 C ATOM 267 CZ PHE A 17 3.345 -5.173 -8.691 1.00 0.00 C ATOM 0 H PHE A 17 7.776 -7.670 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 17 6.533 -8.153 -7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.465 -5.905 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.062 -5.819 -7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.453 -5.961 -9.861 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.083 -5.634 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.180 -5.368 -10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.808 -5.058 -6.606 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.357 -4.917 -9.043 1.00 0.00 H new ATOM 277 N ARG A 18 8.345 -8.733 -9.388 1.00 0.00 N ATOM 278 CA ARG A 18 9.289 -9.398 -10.278 1.00 0.00 C ATOM 279 C ARG A 18 9.298 -8.706 -11.649 1.00 0.00 C ATOM 280 O ARG A 18 8.482 -7.809 -11.871 1.00 0.00 O ATOM 281 CB ARG A 18 8.898 -10.891 -10.339 1.00 0.00 C ATOM 282 CG ARG A 18 9.690 -11.690 -9.295 1.00 0.00 C ATOM 283 CD ARG A 18 9.601 -13.185 -9.597 1.00 0.00 C ATOM 284 NE ARG A 18 10.401 -13.994 -8.664 1.00 0.00 N ATOM 285 CZ ARG A 18 10.668 -15.300 -8.772 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.129 -16.038 -9.740 1.00 0.00 N ATOM 287 NH2 ARG A 18 11.494 -15.846 -7.886 1.00 0.00 N ATOM 0 H ARG A 18 7.419 -8.629 -9.802 1.00 0.00 H new ATOM 0 HA ARG A 18 10.313 -9.329 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.829 -11.002 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.095 -11.286 -11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.733 -11.372 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.298 -11.489 -8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.559 -13.502 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.941 -13.368 -10.616 1.00 0.00 H new ATOM 0 HE ARG A 18 10.791 -13.511 -7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.499 -15.609 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.346 -17.033 -9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.905 -15.271 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.717 -16.840 -7.942 1.00 0.00 H new ATOM 301 N PRO A 19 10.219 -9.077 -12.562 1.00 0.00 N ATOM 302 CA PRO A 19 10.459 -8.348 -13.808 1.00 0.00 C ATOM 303 C PRO A 19 9.224 -7.981 -14.642 1.00 0.00 C ATOM 304 O PRO A 19 9.211 -6.907 -15.246 1.00 0.00 O ATOM 305 CB PRO A 19 11.444 -9.212 -14.599 1.00 0.00 C ATOM 306 CG PRO A 19 12.280 -9.855 -13.496 1.00 0.00 C ATOM 307 CD PRO A 19 11.261 -10.090 -12.382 1.00 0.00 C ATOM 0 HA PRO A 19 10.849 -7.361 -13.558 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.932 -9.958 -15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.055 -8.615 -15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.737 -10.787 -13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.090 -9.202 -13.171 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.842 -11.094 -12.443 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.728 -9.998 -11.401 1.00 0.00 H new ATOM 315 N PHE A 20 8.192 -8.835 -14.664 1.00 0.00 N ATOM 316 CA PHE A 20 6.986 -8.635 -15.478 1.00 0.00 C ATOM 317 C PHE A 20 5.695 -9.027 -14.735 1.00 0.00 C ATOM 318 O PHE A 20 4.630 -9.090 -15.354 1.00 0.00 O ATOM 319 CB PHE A 20 7.122 -9.427 -16.795 1.00 0.00 C ATOM 320 CG PHE A 20 8.356 -9.108 -17.621 1.00 0.00 C ATOM 321 CD1 PHE A 20 8.420 -7.912 -18.364 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.446 -10.001 -17.647 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.568 -7.608 -19.118 1.00 0.00 C ATOM 324 CE2 PHE A 20 10.594 -9.696 -18.401 1.00 0.00 C ATOM 325 CZ PHE A 20 10.657 -8.499 -19.135 1.00 0.00 C ATOM 0 H PHE A 20 8.171 -9.692 -14.112 1.00 0.00 H new ATOM 0 HA PHE A 20 6.902 -7.570 -15.694 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.127 -10.491 -16.560 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.238 -9.240 -17.405 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.585 -7.227 -18.354 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.400 -10.923 -17.086 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.614 -6.690 -19.685 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.428 -10.382 -18.416 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.540 -8.263 -19.711 1.00 0.00 H new ATOM 335 N TYR A 21 5.769 -9.334 -13.435 1.00 0.00 N ATOM 336 CA TYR A 21 4.673 -9.895 -12.643 1.00 0.00 C ATOM 337 C TYR A 21 4.981 -9.704 -11.153 1.00 0.00 C ATOM 338 O TYR A 21 5.929 -8.998 -10.806 1.00 0.00 O ATOM 339 CB TYR A 21 4.479 -11.381 -13.007 1.00 0.00 C ATOM 340 CG TYR A 21 5.663 -12.302 -12.751 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.627 -12.519 -13.754 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.764 -12.998 -11.532 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.668 -13.445 -13.552 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.773 -13.953 -11.336 1.00 0.00 C ATOM 345 CZ TYR A 21 7.734 -14.180 -12.346 1.00 0.00 C ATOM 346 OH TYR A 21 8.722 -15.097 -12.138 1.00 0.00 O ATOM 0 H TYR A 21 6.620 -9.194 -12.890 1.00 0.00 H new ATOM 0 HA TYR A 21 3.739 -9.378 -12.864 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.624 -11.761 -12.448 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.221 -11.443 -14.064 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.568 -11.972 -14.683 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.058 -12.795 -10.740 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.415 -13.594 -14.317 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.815 -14.514 -10.414 1.00 0.00 H new ATOM 0 HH TYR A 21 9.528 -14.826 -12.625 1.00 0.00 H new ATOM 356 N ARG A 22 4.224 -10.337 -10.252 1.00 0.00 N ATOM 357 CA ARG A 22 4.556 -10.395 -8.830 1.00 0.00 C ATOM 358 C ARG A 22 4.214 -11.776 -8.292 1.00 0.00 C ATOM 359 O ARG A 22 3.378 -12.470 -8.869 1.00 0.00 O ATOM 360 CB ARG A 22 3.884 -9.237 -8.058 1.00 0.00 C ATOM 361 CG ARG A 22 2.387 -8.997 -8.315 1.00 0.00 C ATOM 362 CD ARG A 22 1.477 -9.939 -7.524 1.00 0.00 C ATOM 363 NE ARG A 22 0.063 -9.742 -7.903 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.731 -8.727 -7.522 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.313 -7.803 -6.663 1.00 0.00 N ATOM 366 NH2 ARG A 22 -1.962 -8.644 -8.015 1.00 0.00 N ATOM 0 H ARG A 22 3.361 -10.825 -10.492 1.00 0.00 H new ATOM 0 HA ARG A 22 5.627 -10.251 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.019 -9.419 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.419 -8.317 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.142 -7.966 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.185 -9.117 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.767 -10.973 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.600 -9.760 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.352 -10.446 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.630 -7.855 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.935 -7.042 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.295 -9.346 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.574 -7.878 -7.733 1.00 0.00 H new ATOM 380 N HIS A 23 4.852 -12.171 -7.202 1.00 0.00 N ATOM 381 CA HIS A 23 4.640 -13.437 -6.509 1.00 0.00 C ATOM 382 C HIS A 23 4.185 -13.114 -5.083 1.00 0.00 C ATOM 383 O HIS A 23 4.252 -11.952 -4.685 1.00 0.00 O ATOM 384 CB HIS A 23 5.951 -14.243 -6.572 1.00 0.00 C ATOM 385 CG HIS A 23 5.976 -15.502 -5.745 1.00 0.00 C ATOM 386 ND1 HIS A 23 4.979 -16.481 -5.720 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.962 -15.841 -4.865 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.403 -17.393 -4.824 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.583 -17.033 -4.299 1.00 0.00 N ATOM 0 H HIS A 23 5.564 -11.594 -6.754 1.00 0.00 H new ATOM 0 HA HIS A 23 3.866 -14.052 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.145 -14.507 -7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.769 -13.600 -6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.862 -15.282 -4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.865 -18.293 -4.564 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.109 -17.555 -3.599 1.00 0.00 H new ATOM 397 N TRP A 24 3.714 -14.091 -4.307 1.00 0.00 N ATOM 398 CA TRP A 24 3.113 -13.856 -2.996 1.00 0.00 C ATOM 399 C TRP A 24 3.675 -14.813 -1.955 1.00 0.00 C ATOM 400 O TRP A 24 3.968 -15.973 -2.247 1.00 0.00 O ATOM 401 CB TRP A 24 1.594 -13.994 -3.083 1.00 0.00 C ATOM 402 CG TRP A 24 0.896 -12.834 -3.710 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.698 -12.634 -5.030 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.285 -11.696 -3.040 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.005 -11.462 -5.215 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.298 -10.842 -4.020 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.157 -11.313 -1.691 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.995 -9.674 -3.676 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.533 -10.140 -1.336 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.115 -9.325 -2.321 1.00 0.00 C ATOM 0 H TRP A 24 3.740 -15.075 -4.574 1.00 0.00 H new ATOM 0 HA TRP A 24 3.359 -12.841 -2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.357 -14.893 -3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.198 -14.138 -2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.037 -13.290 -5.818 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.276 -11.097 -6.128 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.595 -11.928 -0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.433 -9.052 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.616 -9.863 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.653 -8.433 -2.037 1.00 0.00 H new ATOM 421 N ALA A 25 3.786 -14.306 -0.728 1.00 0.00 N ATOM 422 CA ALA A 25 4.367 -14.959 0.429 1.00 0.00 C ATOM 423 C ALA A 25 3.679 -14.414 1.689 1.00 0.00 C ATOM 424 O ALA A 25 2.871 -13.485 1.619 1.00 0.00 O ATOM 425 CB ALA A 25 5.874 -14.665 0.437 1.00 0.00 C ATOM 0 H ALA A 25 3.449 -13.369 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 25 4.223 -16.039 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.334 -15.147 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.325 -15.051 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.034 -13.588 0.494 1.00 0.00 H new ATOM 431 N ILE A 26 3.999 -14.965 2.856 1.00 0.00 N ATOM 432 CA ILE A 26 3.477 -14.512 4.134 1.00 0.00 C ATOM 433 C ILE A 26 4.643 -14.462 5.112 1.00 0.00 C ATOM 434 O ILE A 26 5.477 -15.366 5.115 1.00 0.00 O ATOM 435 CB ILE A 26 2.333 -15.459 4.547 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.410 -14.782 5.571 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.819 -16.829 5.042 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.099 -15.557 5.675 1.00 0.00 C ATOM 0 H ILE A 26 4.641 -15.754 2.938 1.00 0.00 H new ATOM 0 HA ILE A 26 3.048 -13.511 4.100 1.00 0.00 H new ATOM 0 HB ILE A 26 1.759 -15.663 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.898 -14.743 6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.212 -13.753 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.961 -17.443 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.381 -17.324 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.461 -16.695 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.553 -15.073 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.392 -15.573 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.305 -16.579 5.995 1.00 0.00 H new ATOM 450 N TYR A 27 4.744 -13.393 5.896 1.00 0.00 N ATOM 451 CA TYR A 27 5.825 -13.173 6.841 1.00 0.00 C ATOM 452 C TYR A 27 5.543 -14.030 8.074 1.00 0.00 C ATOM 453 O TYR A 27 4.423 -13.995 8.585 1.00 0.00 O ATOM 454 CB TYR A 27 5.855 -11.665 7.152 1.00 0.00 C ATOM 455 CG TYR A 27 7.150 -11.078 7.686 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.393 -11.396 7.103 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.089 -10.094 8.690 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.566 -10.753 7.535 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.257 -9.451 9.139 1.00 0.00 C ATOM 460 CZ TYR A 27 9.505 -9.781 8.560 1.00 0.00 C ATOM 461 OH TYR A 27 10.649 -9.157 8.960 1.00 0.00 O ATOM 0 H TYR A 27 4.057 -12.639 5.889 1.00 0.00 H new ATOM 0 HA TYR A 27 6.803 -13.460 6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.596 -11.129 6.239 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.069 -11.457 7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.445 -12.138 6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.135 -9.829 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.515 -11.002 7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.201 -8.709 9.922 1.00 0.00 H new ATOM 0 HH TYR A 27 10.440 -8.516 9.671 1.00 0.00 H new ATOM 471 N VAL A 28 6.526 -14.790 8.562 1.00 0.00 N ATOM 472 CA VAL A 28 6.328 -15.749 9.661 1.00 0.00 C ATOM 473 C VAL A 28 7.344 -15.586 10.799 1.00 0.00 C ATOM 474 O VAL A 28 7.241 -16.257 11.826 1.00 0.00 O ATOM 475 CB VAL A 28 6.294 -17.201 9.142 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.116 -17.426 8.186 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.609 -17.620 8.466 1.00 0.00 C ATOM 0 H VAL A 28 7.483 -14.761 8.209 1.00 0.00 H new ATOM 0 HA VAL A 28 5.353 -15.518 10.091 1.00 0.00 H new ATOM 0 HB VAL A 28 6.161 -17.832 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.121 -18.459 7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.180 -17.223 8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.208 -16.756 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.528 -18.651 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.806 -16.966 7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.427 -17.541 9.182 1.00 0.00 H new ATOM 487 N GLY A 29 8.306 -14.685 10.643 1.00 0.00 N ATOM 488 CA GLY A 29 9.302 -14.344 11.643 1.00 0.00 C ATOM 489 C GLY A 29 9.972 -13.059 11.186 1.00 0.00 C ATOM 490 O GLY A 29 9.692 -12.585 10.084 1.00 0.00 O ATOM 0 H GLY A 29 8.415 -14.152 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.837 -14.210 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.034 -15.145 11.746 1.00 0.00 H new ATOM 494 N ASP A 30 10.851 -12.492 12.007 1.00 0.00 N ATOM 495 CA ASP A 30 11.516 -11.214 11.742 1.00 0.00 C ATOM 496 C ASP A 30 12.651 -11.379 10.711 1.00 0.00 C ATOM 497 O ASP A 30 13.816 -11.077 10.980 1.00 0.00 O ATOM 498 CB ASP A 30 11.995 -10.596 13.065 1.00 0.00 C ATOM 499 CG ASP A 30 12.618 -9.201 12.870 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.036 -8.360 12.148 1.00 0.00 O ATOM 501 OD2 ASP A 30 13.667 -8.912 13.491 1.00 0.00 O ATOM 0 H ASP A 30 11.128 -12.914 12.893 1.00 0.00 H new ATOM 0 HA ASP A 30 10.804 -10.521 11.294 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.154 -10.522 13.754 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.728 -11.257 13.527 1.00 0.00 H new ATOM 506 N GLY A 31 12.328 -11.957 9.551 1.00 0.00 N ATOM 507 CA GLY A 31 13.257 -12.210 8.458 1.00 0.00 C ATOM 508 C GLY A 31 12.810 -13.328 7.515 1.00 0.00 C ATOM 509 O GLY A 31 13.385 -13.444 6.436 1.00 0.00 O ATOM 0 H GLY A 31 11.380 -12.270 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.386 -11.293 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.232 -12.466 8.874 1.00 0.00 H new ATOM 513 N TYR A 32 11.808 -14.144 7.868 1.00 0.00 N ATOM 514 CA TYR A 32 11.437 -15.341 7.107 1.00 0.00 C ATOM 515 C TYR A 32 9.999 -15.278 6.614 1.00 0.00 C ATOM 516 O TYR A 32 9.140 -14.631 7.220 1.00 0.00 O ATOM 517 CB TYR A 32 11.633 -16.602 7.960 1.00 0.00 C ATOM 518 CG TYR A 32 13.082 -17.013 8.110 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.886 -16.397 9.086 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.627 -17.998 7.262 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.234 -16.769 9.225 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.975 -18.374 7.394 1.00 0.00 C ATOM 523 CZ TYR A 32 15.785 -17.762 8.380 1.00 0.00 C ATOM 524 OH TYR A 32 17.094 -18.113 8.523 1.00 0.00 O ATOM 0 H TYR A 32 11.230 -13.990 8.694 1.00 0.00 H new ATOM 0 HA TYR A 32 12.092 -15.383 6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.208 -16.431 8.949 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.075 -17.424 7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.467 -15.637 9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.008 -18.465 6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.850 -16.297 9.977 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.392 -19.129 6.744 1.00 0.00 H new ATOM 0 HH TYR A 32 17.320 -18.808 7.870 1.00 0.00 H new ATOM 534 N VAL A 33 9.737 -16.022 5.543 1.00 0.00 N ATOM 535 CA VAL A 33 8.440 -16.128 4.901 1.00 0.00 C ATOM 536 C VAL A 33 8.097 -17.584 4.601 1.00 0.00 C ATOM 537 O VAL A 33 8.980 -18.436 4.503 1.00 0.00 O ATOM 538 CB VAL A 33 8.398 -15.312 3.588 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.328 -13.807 3.845 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.571 -15.613 2.639 1.00 0.00 C ATOM 0 H VAL A 33 10.452 -16.587 5.085 1.00 0.00 H new ATOM 0 HA VAL A 33 7.703 -15.722 5.594 1.00 0.00 H new ATOM 0 HB VAL A 33 7.481 -15.634 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.300 -13.276 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.428 -13.577 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.206 -13.493 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.476 -15.005 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.512 -15.379 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.557 -16.668 2.367 1.00 0.00 H new ATOM 550 N VAL A 34 6.809 -17.840 4.400 1.00 0.00 N ATOM 551 CA VAL A 34 6.265 -19.070 3.850 1.00 0.00 C ATOM 552 C VAL A 34 5.639 -18.676 2.515 1.00 0.00 C ATOM 553 O VAL A 34 5.045 -17.600 2.397 1.00 0.00 O ATOM 554 CB VAL A 34 5.277 -19.698 4.854 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.369 -20.770 4.239 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.082 -20.294 6.008 1.00 0.00 C ATOM 0 H VAL A 34 6.083 -17.161 4.628 1.00 0.00 H new ATOM 0 HA VAL A 34 7.014 -19.843 3.678 1.00 0.00 H new ATOM 0 HB VAL A 34 4.610 -18.908 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.702 -21.165 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.778 -20.329 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.980 -21.578 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.402 -20.744 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.760 -21.056 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.659 -19.507 6.494 1.00 0.00 H new ATOM 566 N HIS A 35 5.796 -19.515 1.495 1.00 0.00 N ATOM 567 CA HIS A 35 5.263 -19.251 0.162 1.00 0.00 C ATOM 568 C HIS A 35 5.171 -20.536 -0.652 1.00 0.00 C ATOM 569 O HIS A 35 5.641 -21.589 -0.215 1.00 0.00 O ATOM 570 CB HIS A 35 6.130 -18.204 -0.565 1.00 0.00 C ATOM 571 CG HIS A 35 7.514 -18.609 -1.027 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.228 -17.915 -2.007 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.296 -19.628 -0.552 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.412 -18.538 -2.111 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.479 -19.565 -1.252 1.00 0.00 N ATOM 0 H HIS A 35 6.298 -20.400 1.570 1.00 0.00 H new ATOM 0 HA HIS A 35 4.255 -18.850 0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.575 -17.863 -1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.239 -17.346 0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.036 -20.339 0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.200 -18.252 -2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.274 -20.194 -1.137 1.00 0.00 H new ATOM 583 N LEU A 36 4.574 -20.449 -1.842 1.00 0.00 N ATOM 584 CA LEU A 36 4.630 -21.531 -2.815 1.00 0.00 C ATOM 585 C LEU A 36 5.971 -21.412 -3.533 1.00 0.00 C ATOM 586 O LEU A 36 6.415 -20.307 -3.856 1.00 0.00 O ATOM 587 CB LEU A 36 3.474 -21.448 -3.832 1.00 0.00 C ATOM 588 CG LEU A 36 2.134 -22.075 -3.402 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.247 -23.573 -3.094 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.523 -21.373 -2.191 1.00 0.00 C ATOM 0 H LEU A 36 4.045 -19.634 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 36 4.530 -22.491 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.300 -20.398 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.796 -21.931 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 36 1.479 -21.942 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.272 -23.958 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.591 -24.102 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.959 -23.725 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.580 -21.854 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.210 -21.438 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.342 -20.325 -2.431 1.00 0.00 H new ATOM 602 N ALA A 37 6.587 -22.554 -3.812 1.00 0.00 N ATOM 603 CA ALA A 37 7.890 -22.701 -4.440 1.00 0.00 C ATOM 604 C ALA A 37 7.815 -23.876 -5.429 1.00 0.00 C ATOM 605 O ALA A 37 6.913 -24.714 -5.304 1.00 0.00 O ATOM 606 CB ALA A 37 8.923 -22.976 -3.338 1.00 0.00 C ATOM 0 H ALA A 37 6.163 -23.455 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 37 8.181 -21.801 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.910 -23.090 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.937 -22.142 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.656 -23.891 -2.809 1.00 0.00 H new ATOM 612 N PRO A 38 8.738 -23.979 -6.400 1.00 0.00 N ATOM 613 CA PRO A 38 8.847 -25.175 -7.224 1.00 0.00 C ATOM 614 C PRO A 38 9.185 -26.390 -6.336 1.00 0.00 C ATOM 615 O PRO A 38 9.820 -26.217 -5.288 1.00 0.00 O ATOM 616 CB PRO A 38 9.936 -24.870 -8.258 1.00 0.00 C ATOM 617 CG PRO A 38 10.794 -23.805 -7.575 1.00 0.00 C ATOM 618 CD PRO A 38 9.779 -23.021 -6.746 1.00 0.00 C ATOM 0 HA PRO A 38 7.916 -25.428 -7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.518 -25.759 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.510 -24.503 -9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.567 -24.251 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.299 -23.168 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.241 -22.603 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.370 -22.185 -7.314 1.00 0.00 H new ATOM 626 N PRO A 39 8.767 -27.614 -6.714 1.00 0.00 N ATOM 627 CA PRO A 39 9.021 -28.822 -5.941 1.00 0.00 C ATOM 628 C PRO A 39 10.491 -29.030 -5.561 1.00 0.00 C ATOM 629 O PRO A 39 11.398 -28.681 -6.322 1.00 0.00 O ATOM 630 CB PRO A 39 8.517 -29.987 -6.796 1.00 0.00 C ATOM 631 CG PRO A 39 7.425 -29.347 -7.643 1.00 0.00 C ATOM 632 CD PRO A 39 7.936 -27.926 -7.866 1.00 0.00 C ATOM 0 HA PRO A 39 8.503 -28.745 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.311 -30.407 -7.413 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.127 -30.799 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.286 -29.876 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.464 -29.352 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.509 -27.858 -8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.108 -27.222 -7.952 1.00 0.00 H new ATOM 640 N SER A 40 10.707 -29.660 -4.404 1.00 0.00 N ATOM 641 CA SER A 40 12.009 -30.093 -3.924 1.00 0.00 C ATOM 642 C SER A 40 12.703 -31.012 -4.938 1.00 0.00 C ATOM 643 O SER A 40 12.048 -31.768 -5.663 1.00 0.00 O ATOM 644 CB SER A 40 11.802 -30.865 -2.617 1.00 0.00 C ATOM 645 OG SER A 40 10.986 -30.139 -1.706 1.00 0.00 O ATOM 0 H SER A 40 9.951 -29.887 -3.758 1.00 0.00 H new ATOM 0 HA SER A 40 12.639 -29.216 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.341 -31.829 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.769 -31.070 -2.157 1.00 0.00 H new ATOM 0 HG SER A 40 10.872 -30.659 -0.883 1.00 0.00 H new ATOM 651 N GLU A 41 14.036 -31.001 -4.939 1.00 0.00 N ATOM 652 CA GLU A 41 14.873 -31.959 -5.645 1.00 0.00 C ATOM 653 C GLU A 41 14.869 -33.258 -4.823 1.00 0.00 C ATOM 654 O GLU A 41 15.823 -33.564 -4.104 1.00 0.00 O ATOM 655 CB GLU A 41 16.272 -31.354 -5.857 1.00 0.00 C ATOM 656 CG GLU A 41 17.208 -32.219 -6.717 1.00 0.00 C ATOM 657 CD GLU A 41 16.695 -32.396 -8.157 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.952 -33.366 -8.426 1.00 0.00 O ATOM 659 OE2 GLU A 41 17.046 -31.579 -9.038 1.00 0.00 O ATOM 0 H GLU A 41 14.576 -30.301 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 41 14.499 -32.192 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.166 -30.376 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.737 -31.192 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.198 -31.763 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.320 -33.199 -6.252 1.00 0.00 H new ATOM 666 N VAL A 42 13.739 -33.974 -4.873 1.00 0.00 N ATOM 667 CA VAL A 42 13.434 -35.172 -4.100 1.00 0.00 C ATOM 668 C VAL A 42 13.890 -35.015 -2.642 1.00 0.00 C ATOM 669 O VAL A 42 13.565 -34.012 -1.996 1.00 0.00 O ATOM 670 CB VAL A 42 13.869 -36.445 -4.876 1.00 0.00 C ATOM 671 CG1 VAL A 42 13.017 -36.612 -6.145 1.00 0.00 C ATOM 672 CG2 VAL A 42 15.352 -36.500 -5.287 1.00 0.00 C ATOM 0 H VAL A 42 12.972 -33.713 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 42 12.359 -35.315 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 42 13.714 -37.256 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.332 -37.508 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.967 -36.705 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.147 -35.741 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.547 -37.429 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.582 -35.654 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.978 -36.456 -4.396 1.00 0.00 H new ATOM 682 N ALA A 43 14.622 -35.995 -2.117 1.00 0.00 N ATOM 683 CA ALA A 43 15.066 -36.064 -0.732 1.00 0.00 C ATOM 684 C ALA A 43 16.007 -34.918 -0.318 1.00 0.00 C ATOM 685 O ALA A 43 16.329 -34.804 0.865 1.00 0.00 O ATOM 686 CB ALA A 43 15.714 -37.432 -0.525 1.00 0.00 C ATOM 0 H ALA A 43 14.933 -36.794 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 43 14.199 -35.941 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.059 -37.519 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.984 -38.215 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.561 -37.539 -1.202 1.00 0.00 H new ATOM 692 N GLY A 44 16.439 -34.059 -1.252 1.00 0.00 N ATOM 693 CA GLY A 44 17.140 -32.820 -0.942 1.00 0.00 C ATOM 694 C GLY A 44 16.257 -31.835 -0.164 1.00 0.00 C ATOM 695 O GLY A 44 16.790 -30.946 0.501 1.00 0.00 O ATOM 0 H GLY A 44 16.307 -34.213 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.032 -33.045 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.475 -32.352 -1.868 1.00 0.00 H new ATOM 699 N ALA A 45 14.923 -32.003 -0.213 1.00 0.00 N ATOM 700 CA ALA A 45 13.916 -31.212 0.501 1.00 0.00 C ATOM 701 C ALA A 45 13.976 -29.700 0.210 1.00 0.00 C ATOM 702 O ALA A 45 13.390 -28.900 0.946 1.00 0.00 O ATOM 703 CB ALA A 45 13.945 -31.546 2.001 1.00 0.00 C ATOM 0 H ALA A 45 14.500 -32.735 -0.784 1.00 0.00 H new ATOM 0 HA ALA A 45 12.942 -31.505 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.193 -30.952 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.732 -32.606 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.931 -31.317 2.406 1.00 0.00 H new ATOM 709 N GLY A 46 14.632 -29.295 -0.875 1.00 0.00 N ATOM 710 CA GLY A 46 14.769 -27.919 -1.325 1.00 0.00 C ATOM 711 C GLY A 46 15.150 -27.929 -2.802 1.00 0.00 C ATOM 712 O GLY A 46 15.323 -29.002 -3.385 1.00 0.00 O ATOM 0 H GLY A 46 15.105 -29.954 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.834 -27.378 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.531 -27.403 -0.741 1.00 0.00 H new ATOM 716 N ALA A 47 15.234 -26.752 -3.418 1.00 0.00 N ATOM 717 CA ALA A 47 15.498 -26.580 -4.842 1.00 0.00 C ATOM 718 C ALA A 47 16.164 -25.219 -5.078 1.00 0.00 C ATOM 719 O ALA A 47 16.394 -24.456 -4.133 1.00 0.00 O ATOM 720 CB ALA A 47 14.171 -26.689 -5.612 1.00 0.00 C ATOM 0 H ALA A 47 15.117 -25.867 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 47 16.175 -27.356 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.358 -26.562 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.727 -27.669 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.486 -25.914 -5.268 1.00 0.00 H new ATOM 726 N ALA A 48 16.438 -24.903 -6.344 1.00 0.00 N ATOM 727 CA ALA A 48 16.940 -23.618 -6.810 1.00 0.00 C ATOM 728 C ALA A 48 16.216 -23.266 -8.109 1.00 0.00 C ATOM 729 O ALA A 48 15.604 -24.132 -8.737 1.00 0.00 O ATOM 730 CB ALA A 48 18.454 -23.709 -7.053 1.00 0.00 C ATOM 0 H ALA A 48 16.309 -25.570 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 48 16.759 -22.846 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.825 -22.745 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.956 -23.977 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 48 18.656 -24.470 -7.807 1.00 0.00 H new ATOM 736 N SER A 49 16.334 -22.013 -8.547 1.00 0.00 N ATOM 737 CA SER A 49 15.751 -21.530 -9.795 1.00 0.00 C ATOM 738 C SER A 49 16.357 -22.202 -11.040 1.00 0.00 C ATOM 739 O SER A 49 15.766 -22.112 -12.115 1.00 0.00 O ATOM 740 CB SER A 49 15.937 -20.008 -9.865 1.00 0.00 C ATOM 741 OG SER A 49 15.534 -19.395 -8.647 1.00 0.00 O ATOM 0 H SER A 49 16.846 -21.295 -8.035 1.00 0.00 H new ATOM 0 HA SER A 49 14.692 -21.789 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.982 -19.773 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.354 -19.603 -10.692 1.00 0.00 H new ATOM 0 HG SER A 49 15.662 -18.425 -8.711 1.00 0.00 H new ATOM 747 N VAL A 50 17.515 -22.862 -10.911 1.00 0.00 N ATOM 748 CA VAL A 50 18.279 -23.464 -12.002 1.00 0.00 C ATOM 749 C VAL A 50 17.374 -24.394 -12.825 1.00 0.00 C ATOM 750 O VAL A 50 16.982 -25.464 -12.352 1.00 0.00 O ATOM 751 CB VAL A 50 19.534 -24.176 -11.444 1.00 0.00 C ATOM 752 CG1 VAL A 50 20.407 -24.750 -12.570 1.00 0.00 C ATOM 753 CG2 VAL A 50 20.408 -23.214 -10.615 1.00 0.00 C ATOM 0 H VAL A 50 17.961 -22.995 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 50 18.635 -22.689 -12.680 1.00 0.00 H new ATOM 0 HB VAL A 50 19.166 -24.984 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.279 -25.242 -12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.829 -25.473 -13.146 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.733 -23.942 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 50 21.281 -23.748 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.733 -22.385 -11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.829 -22.828 -9.776 1.00 0.00 H new ATOM 763 N MET A 51 17.023 -23.962 -14.044 1.00 0.00 N ATOM 764 CA MET A 51 16.117 -24.634 -14.982 1.00 0.00 C ATOM 765 C MET A 51 14.776 -25.066 -14.344 1.00 0.00 C ATOM 766 O MET A 51 14.104 -25.967 -14.850 1.00 0.00 O ATOM 767 CB MET A 51 16.889 -25.776 -15.681 1.00 0.00 C ATOM 768 CG MET A 51 16.319 -26.197 -17.045 1.00 0.00 C ATOM 769 SD MET A 51 16.181 -24.895 -18.309 1.00 0.00 S ATOM 770 CE MET A 51 17.930 -24.500 -18.587 1.00 0.00 C ATOM 0 H MET A 51 17.384 -23.086 -14.422 1.00 0.00 H new ATOM 0 HA MET A 51 15.799 -23.922 -15.744 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.925 -25.466 -15.816 1.00 0.00 H new ATOM 0 HB3 MET A 51 16.899 -26.645 -15.023 1.00 0.00 H new ATOM 0 HG2 MET A 51 16.946 -26.994 -17.445 1.00 0.00 H new ATOM 0 HG3 MET A 51 15.328 -26.621 -16.884 1.00 0.00 H new ATOM 0 HE1 MET A 51 18.012 -23.741 -19.365 1.00 0.00 H new ATOM 0 HE2 MET A 51 18.369 -24.123 -17.663 1.00 0.00 H new ATOM 0 HE3 MET A 51 18.461 -25.399 -18.900 1.00 0.00 H new ATOM 780 N SER A 52 14.377 -24.435 -13.232 1.00 0.00 N ATOM 781 CA SER A 52 13.263 -24.870 -12.387 1.00 0.00 C ATOM 782 C SER A 52 12.517 -23.679 -11.761 1.00 0.00 C ATOM 783 O SER A 52 11.737 -23.870 -10.830 1.00 0.00 O ATOM 784 CB SER A 52 13.793 -25.805 -11.283 1.00 0.00 C ATOM 785 OG SER A 52 14.664 -26.811 -11.775 1.00 0.00 O ATOM 0 H SER A 52 14.832 -23.589 -12.889 1.00 0.00 H new ATOM 0 HA SER A 52 12.550 -25.404 -13.015 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.319 -25.212 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.949 -26.278 -10.780 1.00 0.00 H new ATOM 0 HG SER A 52 15.522 -26.408 -12.025 1.00 0.00 H new ATOM 791 N ALA A 53 12.753 -22.449 -12.240 1.00 0.00 N ATOM 792 CA ALA A 53 12.195 -21.221 -11.668 1.00 0.00 C ATOM 793 C ALA A 53 10.657 -21.173 -11.692 1.00 0.00 C ATOM 794 O ALA A 53 10.060 -20.373 -10.969 1.00 0.00 O ATOM 795 CB ALA A 53 12.767 -20.014 -12.422 1.00 0.00 C ATOM 0 H ALA A 53 13.348 -22.280 -13.051 1.00 0.00 H new ATOM 0 HA ALA A 53 12.483 -21.198 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.357 -19.095 -12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.853 -20.005 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.499 -20.083 -13.476 1.00 0.00 H new ATOM 801 N LEU A 54 10.019 -22.007 -12.516 1.00 0.00 N ATOM 802 CA LEU A 54 8.575 -22.153 -12.644 1.00 0.00 C ATOM 803 C LEU A 54 8.310 -23.619 -12.984 1.00 0.00 C ATOM 804 O LEU A 54 9.078 -24.219 -13.741 1.00 0.00 O ATOM 805 CB LEU A 54 8.081 -21.213 -13.761 1.00 0.00 C ATOM 806 CG LEU A 54 6.586 -21.329 -14.112 1.00 0.00 C ATOM 807 CD1 LEU A 54 5.679 -21.058 -12.907 1.00 0.00 C ATOM 808 CD2 LEU A 54 6.256 -20.328 -15.225 1.00 0.00 C ATOM 0 H LEU A 54 10.527 -22.630 -13.144 1.00 0.00 H new ATOM 0 HA LEU A 54 8.046 -21.888 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.288 -20.185 -13.465 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.664 -21.409 -14.661 1.00 0.00 H new ATOM 0 HG LEU A 54 6.401 -22.353 -14.438 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.636 -21.152 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.896 -21.779 -12.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.859 -20.049 -12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.199 -20.403 -15.480 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.476 -19.317 -14.882 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.859 -20.551 -16.105 1.00 0.00 H new ATOM 820 N THR A 55 7.230 -24.183 -12.449 1.00 0.00 N ATOM 821 CA THR A 55 6.836 -25.572 -12.617 1.00 0.00 C ATOM 822 C THR A 55 5.307 -25.605 -12.665 1.00 0.00 C ATOM 823 O THR A 55 4.641 -24.736 -12.089 1.00 0.00 O ATOM 824 CB THR A 55 7.407 -26.424 -11.458 1.00 0.00 C ATOM 825 OG1 THR A 55 7.233 -25.787 -10.207 1.00 0.00 O ATOM 826 CG2 THR A 55 8.910 -26.686 -11.620 1.00 0.00 C ATOM 0 H THR A 55 6.581 -23.659 -11.862 1.00 0.00 H new ATOM 0 HA THR A 55 7.234 -25.996 -13.539 1.00 0.00 H new ATOM 0 HB THR A 55 6.855 -27.363 -11.492 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.416 -26.121 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.267 -27.287 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.088 -27.220 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.445 -25.736 -11.638 1.00 0.00 H new ATOM 834 N ASP A 56 4.731 -26.601 -13.345 1.00 0.00 N ATOM 835 CA ASP A 56 3.278 -26.712 -13.530 1.00 0.00 C ATOM 836 C ASP A 56 2.539 -27.308 -12.325 1.00 0.00 C ATOM 837 O ASP A 56 1.340 -27.578 -12.373 1.00 0.00 O ATOM 838 CB ASP A 56 2.932 -27.464 -14.826 1.00 0.00 C ATOM 839 CG ASP A 56 2.870 -28.992 -14.643 1.00 0.00 C ATOM 840 OD1 ASP A 56 3.826 -29.582 -14.093 1.00 0.00 O ATOM 841 OD2 ASP A 56 1.884 -29.619 -15.098 1.00 0.00 O ATOM 0 H ASP A 56 5.259 -27.355 -13.784 1.00 0.00 H new ATOM 0 HA ASP A 56 2.917 -25.687 -13.618 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.971 -27.110 -15.198 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.676 -27.226 -15.586 1.00 0.00 H new ATOM 846 N LYS A 57 3.276 -27.475 -11.236 1.00 0.00 N ATOM 847 CA LYS A 57 2.889 -27.925 -9.914 1.00 0.00 C ATOM 848 C LYS A 57 3.773 -27.178 -8.913 1.00 0.00 C ATOM 849 O LYS A 57 4.809 -26.636 -9.318 1.00 0.00 O ATOM 850 CB LYS A 57 3.063 -29.447 -9.874 1.00 0.00 C ATOM 851 CG LYS A 57 4.522 -29.927 -9.807 1.00 0.00 C ATOM 852 CD LYS A 57 4.658 -31.453 -9.911 1.00 0.00 C ATOM 853 CE LYS A 57 4.259 -31.975 -11.301 1.00 0.00 C ATOM 854 NZ LYS A 57 4.470 -33.439 -11.434 1.00 0.00 N ATOM 0 H LYS A 57 4.275 -27.274 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 57 1.850 -27.714 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.527 -29.837 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.594 -29.876 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.089 -29.462 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.966 -29.591 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.688 -31.740 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.032 -31.925 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.210 -31.743 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.840 -31.455 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.187 -33.745 -12.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.475 -33.660 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.896 -33.938 -10.725 1.00 0.00 H new ATOM 868 N ALA A 58 3.415 -27.155 -7.630 1.00 0.00 N ATOM 869 CA ALA A 58 4.151 -26.399 -6.617 1.00 0.00 C ATOM 870 C ALA A 58 4.159 -27.112 -5.259 1.00 0.00 C ATOM 871 O ALA A 58 3.470 -28.111 -5.055 1.00 0.00 O ATOM 872 CB ALA A 58 3.547 -24.990 -6.508 1.00 0.00 C ATOM 0 H ALA A 58 2.608 -27.659 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 58 5.194 -26.323 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.090 -24.419 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.624 -24.486 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.498 -25.065 -6.221 1.00 0.00 H new ATOM 878 N ILE A 59 4.932 -26.579 -4.313 1.00 0.00 N ATOM 879 CA ILE A 59 5.063 -27.067 -2.942 1.00 0.00 C ATOM 880 C ILE A 59 5.057 -25.846 -2.028 1.00 0.00 C ATOM 881 O ILE A 59 5.524 -24.774 -2.413 1.00 0.00 O ATOM 882 CB ILE A 59 6.343 -27.941 -2.807 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.024 -29.341 -3.364 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.872 -28.066 -1.365 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.078 -30.434 -3.135 1.00 0.00 C ATOM 0 H ILE A 59 5.510 -25.758 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 59 4.236 -27.717 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 59 7.135 -27.447 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.085 -29.676 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.857 -29.250 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.765 -28.691 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.118 -27.076 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.107 -28.520 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.733 -31.370 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.017 -30.138 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.233 -30.571 -2.065 1.00 0.00 H new ATOM 897 N VAL A 60 4.532 -26.010 -0.815 1.00 0.00 N ATOM 898 CA VAL A 60 4.561 -24.962 0.203 1.00 0.00 C ATOM 899 C VAL A 60 5.915 -25.067 0.913 1.00 0.00 C ATOM 900 O VAL A 60 6.283 -26.148 1.378 1.00 0.00 O ATOM 901 CB VAL A 60 3.380 -25.118 1.183 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.309 -23.920 2.144 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.019 -25.222 0.469 1.00 0.00 C ATOM 0 H VAL A 60 4.076 -26.870 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 60 4.452 -23.974 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 60 3.567 -26.046 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.469 -24.050 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.235 -23.857 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.173 -23.002 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.227 -25.330 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.846 -24.320 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.020 -26.090 -0.191 1.00 0.00 H new ATOM 913 N LYS A 61 6.657 -23.964 1.020 1.00 0.00 N ATOM 914 CA LYS A 61 8.036 -23.932 1.510 1.00 0.00 C ATOM 915 C LYS A 61 8.210 -22.729 2.443 1.00 0.00 C ATOM 916 O LYS A 61 7.421 -21.786 2.376 1.00 0.00 O ATOM 917 CB LYS A 61 8.964 -23.853 0.276 1.00 0.00 C ATOM 918 CG LYS A 61 10.458 -24.142 0.522 1.00 0.00 C ATOM 919 CD LYS A 61 10.781 -25.588 0.935 1.00 0.00 C ATOM 920 CE LYS A 61 10.511 -26.582 -0.207 1.00 0.00 C ATOM 921 NZ LYS A 61 10.813 -27.980 0.187 1.00 0.00 N ATOM 0 H LYS A 61 6.305 -23.042 0.761 1.00 0.00 H new ATOM 0 HA LYS A 61 8.286 -24.824 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.599 -24.557 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.875 -22.856 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.012 -23.907 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.820 -23.469 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.827 -25.655 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.181 -25.861 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.467 -26.509 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.115 -26.311 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.731 -28.600 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.781 -28.033 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.139 -28.288 0.917 1.00 0.00 H new ATOM 935 N LYS A 62 9.250 -22.738 3.282 1.00 0.00 N ATOM 936 CA LYS A 62 9.625 -21.632 4.164 1.00 0.00 C ATOM 937 C LYS A 62 11.053 -21.236 3.807 1.00 0.00 C ATOM 938 O LYS A 62 11.895 -22.124 3.658 1.00 0.00 O ATOM 939 CB LYS A 62 9.527 -22.095 5.629 1.00 0.00 C ATOM 940 CG LYS A 62 9.876 -20.985 6.638 1.00 0.00 C ATOM 941 CD LYS A 62 9.803 -21.510 8.079 1.00 0.00 C ATOM 942 CE LYS A 62 10.284 -20.435 9.065 1.00 0.00 C ATOM 943 NZ LYS A 62 10.264 -20.913 10.471 1.00 0.00 N ATOM 0 H LYS A 62 9.873 -23.541 3.368 1.00 0.00 H new ATOM 0 HA LYS A 62 8.962 -20.776 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.515 -22.451 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.197 -22.941 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.878 -20.606 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.188 -20.148 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.779 -21.798 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.417 -22.405 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.297 -20.130 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.651 -19.552 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.596 -20.155 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.294 -21.180 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.888 -21.740 10.566 1.00 0.00 H new ATOM 957 N GLU A 63 11.338 -19.941 3.666 1.00 0.00 N ATOM 958 CA GLU A 63 12.621 -19.416 3.205 1.00 0.00 C ATOM 959 C GLU A 63 12.839 -18.027 3.813 1.00 0.00 C ATOM 960 O GLU A 63 11.898 -17.382 4.278 1.00 0.00 O ATOM 961 CB GLU A 63 12.650 -19.334 1.662 1.00 0.00 C ATOM 962 CG GLU A 63 12.678 -20.718 0.993 1.00 0.00 C ATOM 963 CD GLU A 63 12.970 -20.648 -0.512 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.159 -20.608 -0.906 1.00 0.00 O ATOM 965 OE2 GLU A 63 12.007 -20.683 -1.309 1.00 0.00 O ATOM 0 H GLU A 63 10.661 -19.207 3.876 1.00 0.00 H new ATOM 0 HA GLU A 63 13.420 -20.085 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.774 -18.785 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.526 -18.766 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.436 -21.334 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.719 -21.211 1.149 1.00 0.00 H new ATOM 972 N LEU A 64 14.089 -17.563 3.832 1.00 0.00 N ATOM 973 CA LEU A 64 14.452 -16.218 4.272 1.00 0.00 C ATOM 974 C LEU A 64 13.885 -15.202 3.278 1.00 0.00 C ATOM 975 O LEU A 64 14.158 -15.312 2.081 1.00 0.00 O ATOM 976 CB LEU A 64 15.989 -16.127 4.327 1.00 0.00 C ATOM 977 CG LEU A 64 16.521 -14.804 4.911 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.421 -14.790 6.440 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.987 -14.616 4.505 1.00 0.00 C ATOM 0 H LEU A 64 14.890 -18.121 3.537 1.00 0.00 H new ATOM 0 HA LEU A 64 14.043 -16.005 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.370 -16.955 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.386 -16.253 3.320 1.00 0.00 H new ATOM 0 HG LEU A 64 15.911 -13.992 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.804 -13.843 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.379 -14.906 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.009 -15.611 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.362 -13.680 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.580 -15.446 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.063 -14.588 3.418 1.00 0.00 H new ATOM 991 N LEU A 65 13.153 -14.190 3.756 1.00 0.00 N ATOM 992 CA LEU A 65 12.521 -13.172 2.914 1.00 0.00 C ATOM 993 C LEU A 65 13.541 -12.535 1.989 1.00 0.00 C ATOM 994 O LEU A 65 13.261 -12.371 0.808 1.00 0.00 O ATOM 995 CB LEU A 65 11.830 -12.091 3.770 1.00 0.00 C ATOM 996 CG LEU A 65 11.086 -11.028 2.917 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.892 -10.453 3.690 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.961 -9.816 2.551 1.00 0.00 C ATOM 0 H LEU A 65 12.981 -14.054 4.752 1.00 0.00 H new ATOM 0 HA LEU A 65 11.760 -13.666 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.120 -12.569 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.576 -11.594 4.390 1.00 0.00 H new ATOM 0 HG LEU A 65 10.787 -11.558 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.384 -9.710 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.197 -11.256 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.245 -9.984 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.378 -9.113 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.301 -9.324 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.824 -10.151 1.976 1.00 0.00 H new ATOM 1010 N TYR A 66 14.713 -12.183 2.514 1.00 0.00 N ATOM 1011 CA TYR A 66 15.706 -11.421 1.771 1.00 0.00 C ATOM 1012 C TYR A 66 16.240 -12.201 0.563 1.00 0.00 C ATOM 1013 O TYR A 66 16.666 -11.582 -0.412 1.00 0.00 O ATOM 1014 CB TYR A 66 16.823 -10.978 2.727 1.00 0.00 C ATOM 1015 CG TYR A 66 16.295 -10.296 3.983 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.561 -9.098 3.881 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.474 -10.896 5.245 1.00 0.00 C ATOM 1018 CE1 TYR A 66 14.996 -8.509 5.027 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.914 -10.315 6.395 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.166 -9.119 6.291 1.00 0.00 C ATOM 1021 OH TYR A 66 14.619 -8.570 7.412 1.00 0.00 O ATOM 0 H TYR A 66 14.998 -12.419 3.465 1.00 0.00 H new ATOM 0 HA TYR A 66 15.234 -10.530 1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.415 -11.847 3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.492 -10.295 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.431 -8.629 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.045 -11.809 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.433 -7.591 4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.055 -10.782 7.359 1.00 0.00 H new ATOM 0 HH TYR A 66 14.838 -9.126 8.189 1.00 0.00 H new ATOM 1031 N ASP A 67 16.179 -13.539 0.583 1.00 0.00 N ATOM 1032 CA ASP A 67 16.522 -14.346 -0.585 1.00 0.00 C ATOM 1033 C ASP A 67 15.399 -14.291 -1.622 1.00 0.00 C ATOM 1034 O ASP A 67 15.670 -14.097 -2.806 1.00 0.00 O ATOM 1035 CB ASP A 67 16.791 -15.800 -0.189 1.00 0.00 C ATOM 1036 CG ASP A 67 17.178 -16.621 -1.430 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.347 -16.537 -1.870 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.326 -17.366 -1.960 1.00 0.00 O ATOM 0 H ASP A 67 15.894 -14.082 1.398 1.00 0.00 H new ATOM 0 HA ASP A 67 17.431 -13.932 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.592 -15.842 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.904 -16.228 0.278 1.00 0.00 H new ATOM 1043 N VAL A 68 14.137 -14.394 -1.184 1.00 0.00 N ATOM 1044 CA VAL A 68 12.971 -14.347 -2.066 1.00 0.00 C ATOM 1045 C VAL A 68 12.870 -12.959 -2.720 1.00 0.00 C ATOM 1046 O VAL A 68 12.734 -12.853 -3.942 1.00 0.00 O ATOM 1047 CB VAL A 68 11.687 -14.728 -1.287 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.523 -14.933 -2.265 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.836 -16.046 -0.504 1.00 0.00 C ATOM 0 H VAL A 68 13.899 -14.513 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 68 13.085 -15.080 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 68 11.503 -13.909 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.624 -15.201 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.346 -14.011 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.770 -15.733 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.907 -16.263 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.059 -16.857 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.648 -15.951 0.217 1.00 0.00 H new ATOM 1059 N ALA A 69 13.010 -11.891 -1.930 1.00 0.00 N ATOM 1060 CA ALA A 69 13.026 -10.509 -2.393 1.00 0.00 C ATOM 1061 C ALA A 69 14.178 -10.240 -3.365 1.00 0.00 C ATOM 1062 O ALA A 69 14.074 -9.341 -4.201 1.00 0.00 O ATOM 1063 CB ALA A 69 13.135 -9.578 -1.184 1.00 0.00 C ATOM 0 H ALA A 69 13.118 -11.972 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 69 12.098 -10.322 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.148 -8.542 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.280 -9.734 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.055 -9.793 -0.641 1.00 0.00 H new ATOM 1069 N GLY A 70 15.249 -11.039 -3.292 1.00 0.00 N ATOM 1070 CA GLY A 70 16.374 -11.004 -4.215 1.00 0.00 C ATOM 1071 C GLY A 70 15.973 -11.260 -5.672 1.00 0.00 C ATOM 1072 O GLY A 70 16.789 -11.008 -6.561 1.00 0.00 O ATOM 0 H GLY A 70 15.353 -11.747 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.862 -10.032 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.107 -11.751 -3.911 1.00 0.00 H new ATOM 1076 N SER A 71 14.742 -11.724 -5.935 1.00 0.00 N ATOM 1077 CA SER A 71 14.189 -11.806 -7.280 1.00 0.00 C ATOM 1078 C SER A 71 14.301 -10.460 -8.007 1.00 0.00 C ATOM 1079 O SER A 71 14.816 -10.406 -9.125 1.00 0.00 O ATOM 1080 CB SER A 71 12.724 -12.244 -7.229 1.00 0.00 C ATOM 1081 OG SER A 71 12.525 -13.476 -6.554 1.00 0.00 O ATOM 0 H SER A 71 14.104 -12.053 -5.210 1.00 0.00 H new ATOM 0 HA SER A 71 14.767 -12.547 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.138 -11.469 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.343 -12.331 -8.247 1.00 0.00 H new ATOM 0 HG SER A 71 12.698 -13.356 -5.597 1.00 0.00 H new ATOM 1087 N ASP A 72 13.849 -9.380 -7.359 1.00 0.00 N ATOM 1088 CA ASP A 72 14.020 -8.001 -7.807 1.00 0.00 C ATOM 1089 C ASP A 72 13.718 -7.026 -6.673 1.00 0.00 C ATOM 1090 O ASP A 72 14.579 -6.224 -6.304 1.00 0.00 O ATOM 1091 CB ASP A 72 13.102 -7.704 -8.997 1.00 0.00 C ATOM 1092 CG ASP A 72 13.221 -6.237 -9.445 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.344 -5.790 -9.772 1.00 0.00 O ATOM 1094 OD2 ASP A 72 12.188 -5.539 -9.509 1.00 0.00 O ATOM 0 H ASP A 72 13.338 -9.449 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 72 15.057 -7.874 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.357 -8.362 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.069 -7.920 -8.725 1.00 0.00 H new ATOM 1099 N LYS A 73 12.518 -7.121 -6.096 1.00 0.00 N ATOM 1100 CA LYS A 73 12.058 -6.304 -4.968 1.00 0.00 C ATOM 1101 C LYS A 73 10.884 -6.997 -4.268 1.00 0.00 C ATOM 1102 O LYS A 73 10.488 -8.098 -4.659 1.00 0.00 O ATOM 1103 CB LYS A 73 11.704 -4.882 -5.457 1.00 0.00 C ATOM 1104 CG LYS A 73 10.443 -4.813 -6.340 1.00 0.00 C ATOM 1105 CD LYS A 73 10.124 -3.392 -6.831 1.00 0.00 C ATOM 1106 CE LYS A 73 11.189 -2.860 -7.801 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.854 -1.511 -8.323 1.00 0.00 N ATOM 0 H LYS A 73 11.816 -7.790 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 73 12.856 -6.200 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.563 -4.237 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.549 -4.482 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.575 -5.467 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.592 -5.195 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.152 -3.390 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.048 -2.722 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.153 -2.821 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.296 -3.553 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.602 -1.195 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.948 -1.551 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.778 -0.841 -7.531 1.00 0.00 H new ATOM 1121 N TYR A 74 10.300 -6.357 -3.252 1.00 0.00 N ATOM 1122 CA TYR A 74 9.103 -6.836 -2.569 1.00 0.00 C ATOM 1123 C TYR A 74 8.364 -5.666 -1.913 1.00 0.00 C ATOM 1124 O TYR A 74 8.914 -4.564 -1.820 1.00 0.00 O ATOM 1125 CB TYR A 74 9.485 -7.884 -1.511 1.00 0.00 C ATOM 1126 CG TYR A 74 10.028 -7.318 -0.204 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.325 -6.769 -0.142 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.212 -7.294 0.944 1.00 0.00 C ATOM 1129 CE1 TYR A 74 11.811 -6.226 1.061 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.687 -6.748 2.150 1.00 0.00 C ATOM 1131 CZ TYR A 74 10.996 -6.216 2.215 1.00 0.00 C ATOM 1132 OH TYR A 74 11.479 -5.686 3.375 1.00 0.00 O ATOM 0 H TYR A 74 10.654 -5.477 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 74 8.441 -7.299 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.606 -8.490 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.233 -8.552 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.949 -6.765 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.212 -7.699 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.809 -5.816 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.054 -6.735 3.025 1.00 0.00 H new ATOM 0 HH TYR A 74 10.796 -5.754 4.075 1.00 0.00 H new ATOM 1142 N GLN A 75 7.141 -5.913 -1.435 1.00 0.00 N ATOM 1143 CA GLN A 75 6.387 -5.001 -0.584 1.00 0.00 C ATOM 1144 C GLN A 75 5.412 -5.789 0.297 1.00 0.00 C ATOM 1145 O GLN A 75 5.034 -6.914 -0.030 1.00 0.00 O ATOM 1146 CB GLN A 75 5.712 -3.888 -1.411 1.00 0.00 C ATOM 1147 CG GLN A 75 4.746 -4.372 -2.504 1.00 0.00 C ATOM 1148 CD GLN A 75 4.299 -3.262 -3.465 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.849 -2.164 -3.512 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.290 -3.531 -4.272 1.00 0.00 N ATOM 0 H GLN A 75 6.639 -6.777 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 75 7.073 -4.485 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.166 -3.234 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.490 -3.284 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.227 -5.165 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.866 -4.808 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.834 -4.443 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.966 -2.827 -4.936 1.00 0.00 H new ATOM 1159 N VAL A 76 5.012 -5.208 1.428 1.00 0.00 N ATOM 1160 CA VAL A 76 3.930 -5.730 2.257 1.00 0.00 C ATOM 1161 C VAL A 76 2.639 -5.346 1.530 1.00 0.00 C ATOM 1162 O VAL A 76 2.528 -4.227 1.018 1.00 0.00 O ATOM 1163 CB VAL A 76 3.991 -5.125 3.680 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.025 -5.836 4.646 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.402 -5.201 4.288 1.00 0.00 C ATOM 0 H VAL A 76 5.434 -4.355 1.796 1.00 0.00 H new ATOM 0 HA VAL A 76 3.998 -6.810 2.390 1.00 0.00 H new ATOM 0 HB VAL A 76 3.701 -4.081 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.098 -5.381 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.004 -5.739 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.288 -6.892 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.392 -4.764 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.715 -6.243 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.100 -4.650 3.658 1.00 0.00 H new ATOM 1175 N ASN A 77 1.664 -6.252 1.474 1.00 0.00 N ATOM 1176 CA ASN A 77 0.385 -5.994 0.813 1.00 0.00 C ATOM 1177 C ASN A 77 -0.715 -6.809 1.485 1.00 0.00 C ATOM 1178 O ASN A 77 -1.231 -7.773 0.918 1.00 0.00 O ATOM 1179 CB ASN A 77 0.470 -6.252 -0.704 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.787 -5.791 -1.451 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.821 -5.458 -0.876 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.717 -5.721 -2.768 1.00 0.00 N ATOM 0 H ASN A 77 1.738 -7.183 1.884 1.00 0.00 H new ATOM 0 HA ASN A 77 0.135 -4.939 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.339 -5.734 -1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.623 -7.317 -0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.519 -5.391 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.139 -5.996 -3.249 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.044 -6.467 2.735 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.229 -7.020 3.382 1.00 0.00 C ATOM 1191 C ASN A 78 -3.445 -6.592 2.561 1.00 0.00 C ATOM 1192 O ASN A 78 -3.745 -5.399 2.488 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.385 -6.514 4.821 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.453 -7.190 5.815 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.172 -8.382 5.724 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.957 -6.443 6.782 1.00 0.00 N ATOM 0 H ASN A 78 -0.510 -5.816 3.311 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.136 -8.105 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.203 -5.439 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.416 -6.669 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.328 -6.853 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.203 -5.455 6.840 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.139 -7.558 1.949 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.252 -7.276 1.042 1.00 0.00 C ATOM 1205 C LYS A 79 -6.349 -6.440 1.705 1.00 0.00 C ATOM 1206 O LYS A 79 -6.862 -5.520 1.068 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.831 -8.594 0.492 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.945 -9.277 -0.568 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.795 -8.500 -1.889 1.00 0.00 C ATOM 1210 CE LYS A 79 -6.133 -8.185 -2.579 1.00 0.00 C ATOM 1211 NZ LYS A 79 -6.832 -9.401 -3.064 1.00 0.00 N ATOM 0 H LYS A 79 -3.945 -8.552 2.069 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.859 -6.682 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.985 -9.285 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.811 -8.395 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.954 -9.437 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.360 -10.261 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.269 -7.566 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.172 -9.079 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.780 -7.654 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.954 -7.515 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.536 -9.134 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.141 -10.055 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.310 -9.868 -2.267 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.711 -6.738 2.957 1.00 0.00 N ATOM 1226 CA HIS A 80 -7.851 -6.122 3.631 1.00 0.00 C ATOM 1227 C HIS A 80 -7.767 -6.337 5.142 1.00 0.00 C ATOM 1228 O HIS A 80 -8.774 -6.588 5.802 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.179 -6.606 3.020 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.212 -8.076 2.666 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.338 -8.590 1.369 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -8.962 -9.104 3.525 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.148 -9.916 1.485 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -8.913 -10.248 2.764 1.00 0.00 N ATOM 0 H HIS A 80 -6.215 -7.419 3.533 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.818 -5.044 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.985 -6.397 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.383 -6.025 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.828 -9.034 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.180 -10.616 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.729 -11.189 3.112 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.577 -6.162 5.721 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.378 -6.097 7.180 1.00 0.00 C ATOM 1244 C ASP A 81 -7.205 -4.965 7.821 1.00 0.00 C ATOM 1245 O ASP A 81 -7.403 -4.929 9.034 1.00 0.00 O ATOM 1246 CB ASP A 81 -4.884 -5.894 7.466 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.570 -5.665 8.953 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.518 -6.665 9.705 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.282 -4.513 9.348 1.00 0.00 O ATOM 0 H ASP A 81 -5.713 -6.060 5.189 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.722 -7.033 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.333 -6.768 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.525 -5.040 6.891 1.00 0.00 H new ATOM 1254 N ASP A 82 -7.722 -4.050 6.994 1.00 0.00 N ATOM 1255 CA ASP A 82 -8.536 -2.907 7.410 1.00 0.00 C ATOM 1256 C ASP A 82 -10.013 -3.300 7.524 1.00 0.00 C ATOM 1257 O ASP A 82 -10.798 -2.599 8.165 1.00 0.00 O ATOM 1258 CB ASP A 82 -8.374 -1.777 6.384 1.00 0.00 C ATOM 1259 CG ASP A 82 -9.184 -0.526 6.768 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -8.850 0.129 7.781 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -10.126 -0.160 6.029 1.00 0.00 O ATOM 0 H ASP A 82 -7.580 -4.087 5.985 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.199 -2.571 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.320 -1.514 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.695 -2.129 5.404 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.392 -4.437 6.926 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.772 -4.907 6.844 1.00 0.00 C ATOM 1268 C LYS A 83 -11.944 -6.225 7.592 1.00 0.00 C ATOM 1269 O LYS A 83 -13.045 -6.497 8.071 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.208 -5.084 5.376 1.00 0.00 C ATOM 1271 CG LYS A 83 -11.775 -3.957 4.429 1.00 0.00 C ATOM 1272 CD LYS A 83 -12.423 -4.140 3.051 1.00 0.00 C ATOM 1273 CE LYS A 83 -11.952 -3.020 2.118 1.00 0.00 C ATOM 1274 NZ LYS A 83 -12.557 -3.117 0.765 1.00 0.00 N ATOM 0 H LYS A 83 -9.728 -5.067 6.476 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.404 -4.151 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.804 -6.026 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.294 -5.168 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.061 -2.992 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.689 -3.953 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.155 -5.112 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.509 -4.121 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.204 -2.055 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.866 -3.056 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.207 -2.338 0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.296 -4.026 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.592 -3.055 0.842 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.878 -7.024 7.711 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.949 -8.380 8.241 1.00 0.00 C ATOM 1290 C TYR A 84 -9.701 -8.737 9.042 1.00 0.00 C ATOM 1291 O TYR A 84 -8.585 -8.351 8.691 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.093 -9.381 7.083 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.410 -9.298 6.340 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.593 -9.734 6.967 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -12.459 -8.779 5.031 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -14.823 -9.647 6.292 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -13.687 -8.687 4.350 1.00 0.00 C ATOM 1298 CZ TYR A 84 -14.877 -9.121 4.981 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.077 -9.042 4.338 1.00 0.00 O ATOM 0 H TYR A 84 -9.937 -6.741 7.439 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.814 -8.430 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.280 -9.218 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.975 -10.391 7.476 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.555 -10.136 7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.550 -8.450 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.728 -9.983 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -13.721 -8.286 3.348 1.00 0.00 H new ATOM 0 HH TYR A 84 -15.946 -8.657 3.446 1.00 0.00 H new ATOM 1309 N SER A 85 -9.913 -9.551 10.074 1.00 0.00 N ATOM 1310 CA SER A 85 -8.876 -10.219 10.855 1.00 0.00 C ATOM 1311 C SER A 85 -9.522 -11.343 11.687 1.00 0.00 C ATOM 1312 O SER A 85 -9.579 -11.258 12.917 1.00 0.00 O ATOM 1313 CB SER A 85 -8.060 -9.228 11.702 1.00 0.00 C ATOM 1314 OG SER A 85 -8.860 -8.221 12.312 1.00 0.00 O ATOM 0 H SER A 85 -10.853 -9.772 10.402 1.00 0.00 H new ATOM 0 HA SER A 85 -8.149 -10.671 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.525 -9.777 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.309 -8.753 11.071 1.00 0.00 H new ATOM 0 HG SER A 85 -8.289 -7.623 12.838 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.055 -12.400 11.043 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.684 -13.515 11.751 1.00 0.00 C ATOM 1322 C PRO A 86 -9.690 -14.331 12.590 1.00 0.00 C ATOM 1323 O PRO A 86 -10.108 -15.145 13.415 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.312 -14.385 10.662 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.486 -14.084 9.415 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.074 -12.629 9.604 1.00 0.00 C ATOM 0 HA PRO A 86 -11.417 -13.143 12.466 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.267 -15.442 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.363 -14.138 10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.619 -14.740 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.069 -14.221 8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.094 -12.441 9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.777 -11.957 9.111 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.386 -14.138 12.371 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.311 -14.936 12.943 1.00 0.00 C ATOM 1336 C LEU A 87 -6.306 -13.998 13.616 1.00 0.00 C ATOM 1337 O LEU A 87 -5.751 -13.138 12.927 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.610 -15.733 11.824 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.481 -16.808 11.152 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.705 -17.425 9.989 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -7.911 -17.907 12.129 1.00 0.00 C ATOM 0 H LEU A 87 -8.043 -13.392 11.766 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.714 -15.633 13.677 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.267 -15.035 11.061 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.723 -16.212 12.240 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.390 -16.325 10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.317 -18.188 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.457 -16.649 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.787 -17.878 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.524 -18.641 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.027 -18.397 12.537 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.489 -17.466 12.941 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.075 -14.122 14.937 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.959 -13.466 15.607 1.00 0.00 C ATOM 1355 C PRO A 88 -3.641 -13.830 14.916 1.00 0.00 C ATOM 1356 O PRO A 88 -3.527 -14.917 14.339 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.980 -13.975 17.054 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.434 -14.386 17.271 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.862 -14.885 15.893 1.00 0.00 C ATOM 0 HA PRO A 88 -5.045 -12.380 15.572 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.301 -14.816 17.193 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.674 -13.199 17.756 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.524 -15.165 18.028 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.045 -13.547 17.603 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.676 -15.954 15.789 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.929 -14.730 15.734 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.631 -12.961 15.014 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.376 -13.123 14.283 1.00 0.00 C ATOM 1369 C CYS A 89 -0.759 -14.505 14.509 1.00 0.00 C ATOM 1370 O CYS A 89 -0.359 -15.153 13.545 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.391 -12.010 14.665 1.00 0.00 C ATOM 1372 SG CYS A 89 -1.133 -10.378 14.355 1.00 0.00 S ATOM 0 H CYS A 89 -2.662 -12.128 15.602 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.597 -13.044 13.219 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.120 -12.100 15.717 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.528 -12.115 14.089 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.288 -9.447 14.685 1.00 0.00 H new ATOM 1378 N SER A 90 -0.750 -14.993 15.752 1.00 0.00 N ATOM 1379 CA SER A 90 -0.196 -16.295 16.106 1.00 0.00 C ATOM 1380 C SER A 90 -0.842 -17.436 15.313 1.00 0.00 C ATOM 1381 O SER A 90 -0.145 -18.324 14.826 1.00 0.00 O ATOM 1382 CB SER A 90 -0.355 -16.513 17.617 1.00 0.00 C ATOM 1383 OG SER A 90 0.029 -15.346 18.334 1.00 0.00 O ATOM 0 H SER A 90 -1.133 -14.485 16.549 1.00 0.00 H new ATOM 0 HA SER A 90 0.862 -16.302 15.844 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.391 -16.763 17.847 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.255 -17.359 17.934 1.00 0.00 H new ATOM 0 HG SER A 90 -0.080 -15.502 19.295 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.162 -17.399 15.119 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.894 -18.404 14.354 1.00 0.00 C ATOM 1391 C LYS A 91 -2.477 -18.389 12.884 1.00 0.00 C ATOM 1392 O LYS A 91 -2.458 -19.447 12.262 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.415 -18.214 14.490 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.954 -18.266 15.930 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.627 -19.572 16.671 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.328 -19.583 18.037 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.065 -20.832 18.796 1.00 0.00 N ATOM 0 H LYS A 91 -2.757 -16.661 15.494 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.640 -19.379 14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.686 -17.253 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.915 -18.984 13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.542 -17.428 16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.036 -18.134 15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.951 -20.428 16.079 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.549 -19.666 16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.992 -18.727 18.622 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.402 -19.468 17.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.559 -20.793 19.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.409 -21.648 18.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.043 -20.931 18.959 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.104 -17.235 12.327 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.590 -17.160 10.961 1.00 0.00 C ATOM 1413 C ILE A 92 -0.263 -17.928 10.900 1.00 0.00 C ATOM 1414 O ILE A 92 -0.079 -18.749 10.001 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.442 -15.692 10.498 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.758 -14.899 10.688 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -0.975 -15.654 9.032 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.595 -13.397 10.447 1.00 0.00 C ATOM 0 H ILE A 92 -2.149 -16.335 12.806 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.296 -17.621 10.270 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.689 -15.208 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.513 -15.290 10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.129 -15.060 11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.872 -14.618 8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.013 -16.159 8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.709 -16.158 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.553 -12.899 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.863 -12.994 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.253 -13.227 9.426 1.00 0.00 H new ATOM 1430 N ILE A 93 0.637 -17.713 11.869 1.00 0.00 N ATOM 1431 CA ILE A 93 1.903 -18.440 11.949 1.00 0.00 C ATOM 1432 C ILE A 93 1.618 -19.942 12.049 1.00 0.00 C ATOM 1433 O ILE A 93 2.186 -20.727 11.294 1.00 0.00 O ATOM 1434 CB ILE A 93 2.758 -17.976 13.154 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.832 -16.454 13.377 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.172 -18.548 13.018 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.319 -15.629 12.185 1.00 0.00 C ATOM 0 H ILE A 93 0.505 -17.031 12.616 1.00 0.00 H new ATOM 0 HA ILE A 93 2.476 -18.230 11.046 1.00 0.00 H new ATOM 0 HB ILE A 93 2.246 -18.361 14.036 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.841 -16.099 13.660 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.493 -16.261 14.222 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.778 -18.224 13.864 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.124 -19.637 13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.622 -18.191 12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.331 -14.573 12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.325 -15.945 11.910 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.648 -15.780 11.339 1.00 0.00 H new ATOM 1449 N GLN A 94 0.714 -20.326 12.956 1.00 0.00 N ATOM 1450 CA GLN A 94 0.317 -21.707 13.200 1.00 0.00 C ATOM 1451 C GLN A 94 -0.173 -22.365 11.910 1.00 0.00 C ATOM 1452 O GLN A 94 0.242 -23.478 11.592 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.782 -21.750 14.278 1.00 0.00 C ATOM 1454 CG GLN A 94 -0.271 -21.570 15.716 1.00 0.00 C ATOM 1455 CD GLN A 94 0.680 -22.685 16.166 1.00 0.00 C ATOM 1456 OE1 GLN A 94 1.764 -22.427 16.683 1.00 0.00 O ATOM 1457 NE2 GLN A 94 0.311 -23.944 15.978 1.00 0.00 N ATOM 0 H GLN A 94 0.227 -19.661 13.556 1.00 0.00 H new ATOM 0 HA GLN A 94 1.184 -22.264 13.554 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.513 -20.970 14.065 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.305 -22.704 14.208 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.241 -20.611 15.795 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.123 -21.533 16.395 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.590 -24.153 15.548 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.928 -24.704 16.263 1.00 0.00 H new ATOM 1466 N ARG A 95 -1.029 -21.674 11.150 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.522 -22.175 9.868 1.00 0.00 C ATOM 1468 C ARG A 95 -0.342 -22.374 8.921 1.00 0.00 C ATOM 1469 O ARG A 95 -0.181 -23.458 8.359 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.550 -21.194 9.268 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.914 -21.197 9.982 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.908 -22.181 9.350 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.388 -21.700 8.038 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.736 -22.457 6.988 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -5.694 -23.785 7.052 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.128 -21.870 5.866 1.00 0.00 N ATOM 0 H ARG A 95 -1.396 -20.758 11.406 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.023 -23.132 10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.137 -20.186 9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.702 -21.441 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.770 -21.455 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.336 -20.192 9.956 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.431 -23.154 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.757 -22.322 10.019 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.462 -20.690 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.393 -24.245 7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.963 -24.343 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.162 -20.852 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.395 -22.436 5.061 1.00 0.00 H new ATOM 1490 N ALA A 96 0.498 -21.350 8.764 1.00 0.00 N ATOM 1491 CA ALA A 96 1.618 -21.397 7.841 1.00 0.00 C ATOM 1492 C ALA A 96 2.521 -22.592 8.147 1.00 0.00 C ATOM 1493 O ALA A 96 2.796 -23.400 7.262 1.00 0.00 O ATOM 1494 CB ALA A 96 2.389 -20.071 7.886 1.00 0.00 C ATOM 0 H ALA A 96 0.416 -20.470 9.274 1.00 0.00 H new ATOM 0 HA ALA A 96 1.241 -21.532 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.228 -20.114 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.725 -19.254 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.763 -19.902 8.896 1.00 0.00 H new ATOM 1500 N GLU A 97 2.941 -22.744 9.401 1.00 0.00 N ATOM 1501 CA GLU A 97 3.904 -23.773 9.778 1.00 0.00 C ATOM 1502 C GLU A 97 3.298 -25.181 9.767 1.00 0.00 C ATOM 1503 O GLU A 97 4.044 -26.155 9.660 1.00 0.00 O ATOM 1504 CB GLU A 97 4.588 -23.447 11.118 1.00 0.00 C ATOM 1505 CG GLU A 97 3.710 -23.651 12.362 1.00 0.00 C ATOM 1506 CD GLU A 97 4.508 -23.414 13.656 1.00 0.00 C ATOM 1507 OE1 GLU A 97 4.659 -22.249 14.089 1.00 0.00 O ATOM 1508 OE2 GLU A 97 4.993 -24.399 14.259 1.00 0.00 O ATOM 0 H GLU A 97 2.626 -22.162 10.177 1.00 0.00 H new ATOM 0 HA GLU A 97 4.679 -23.771 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.479 -24.068 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.923 -22.410 11.095 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.861 -22.969 12.326 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.306 -24.663 12.362 1.00 0.00 H new ATOM 1515 N GLU A 98 1.968 -25.322 9.846 1.00 0.00 N ATOM 1516 CA GLU A 98 1.297 -26.591 9.717 1.00 0.00 C ATOM 1517 C GLU A 98 1.318 -27.016 8.243 1.00 0.00 C ATOM 1518 O GLU A 98 1.319 -28.211 7.943 1.00 0.00 O ATOM 1519 CB GLU A 98 -0.120 -26.401 10.288 1.00 0.00 C ATOM 1520 CG GLU A 98 -1.068 -27.530 9.916 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.405 -27.436 10.674 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -3.342 -26.762 10.188 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -2.542 -28.058 11.752 1.00 0.00 O ATOM 0 H GLU A 98 1.334 -24.539 10.004 1.00 0.00 H new ATOM 0 HA GLU A 98 1.784 -27.394 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.061 -26.327 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.528 -25.457 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.257 -27.505 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.595 -28.487 10.134 1.00 0.00 H new ATOM 1530 N LEU A 99 1.374 -26.044 7.325 1.00 0.00 N ATOM 1531 CA LEU A 99 1.161 -26.277 5.904 1.00 0.00 C ATOM 1532 C LEU A 99 2.451 -26.282 5.087 1.00 0.00 C ATOM 1533 O LEU A 99 2.432 -26.841 3.991 1.00 0.00 O ATOM 1534 CB LEU A 99 0.105 -25.291 5.384 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.260 -25.502 6.081 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.224 -24.378 5.707 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.910 -26.847 5.719 1.00 0.00 C ATOM 0 H LEU A 99 1.570 -25.070 7.555 1.00 0.00 H new ATOM 0 HA LEU A 99 0.777 -27.289 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.446 -24.269 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.012 -25.416 4.307 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.062 -25.499 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.181 -24.539 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.807 -23.421 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.373 -24.371 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.865 -26.941 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.075 -26.893 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.252 -27.662 6.021 1.00 0.00 H new ATOM 1549 N VAL A 100 3.580 -25.777 5.594 1.00 0.00 N ATOM 1550 CA VAL A 100 4.888 -25.984 4.960 1.00 0.00 C ATOM 1551 C VAL A 100 5.096 -27.493 4.747 1.00 0.00 C ATOM 1552 O VAL A 100 4.810 -28.299 5.637 1.00 0.00 O ATOM 1553 CB VAL A 100 5.997 -25.335 5.818 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.417 -25.698 5.357 1.00 0.00 C ATOM 1555 CG2 VAL A 100 5.889 -23.804 5.773 1.00 0.00 C ATOM 0 H VAL A 100 3.615 -25.219 6.447 1.00 0.00 H new ATOM 0 HA VAL A 100 4.932 -25.501 3.984 1.00 0.00 H new ATOM 0 HB VAL A 100 5.842 -25.723 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.146 -25.208 6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.552 -26.778 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.562 -25.365 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.679 -23.365 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.994 -23.462 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.918 -23.496 6.160 1.00 0.00 H new ATOM 1565 N GLY A 101 5.568 -27.874 3.556 1.00 0.00 N ATOM 1566 CA GLY A 101 5.822 -29.257 3.172 1.00 0.00 C ATOM 1567 C GLY A 101 4.663 -29.895 2.400 1.00 0.00 C ATOM 1568 O GLY A 101 4.819 -31.017 1.914 1.00 0.00 O ATOM 0 H GLY A 101 5.788 -27.208 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.723 -29.297 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.020 -29.845 4.068 1.00 0.00 H new ATOM 1572 N GLN A 102 3.511 -29.222 2.277 1.00 0.00 N ATOM 1573 CA GLN A 102 2.397 -29.701 1.467 1.00 0.00 C ATOM 1574 C GLN A 102 2.754 -29.543 -0.008 1.00 0.00 C ATOM 1575 O GLN A 102 3.598 -28.722 -0.376 1.00 0.00 O ATOM 1576 CB GLN A 102 1.120 -28.914 1.808 1.00 0.00 C ATOM 1577 CG GLN A 102 0.299 -29.468 2.987 1.00 0.00 C ATOM 1578 CD GLN A 102 1.073 -30.220 4.078 1.00 0.00 C ATOM 1579 OE1 GLN A 102 0.917 -31.426 4.251 1.00 0.00 O ATOM 1580 NE2 GLN A 102 1.907 -29.538 4.843 1.00 0.00 N ATOM 0 H GLN A 102 3.331 -28.330 2.739 1.00 0.00 H new ATOM 0 HA GLN A 102 2.210 -30.754 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.397 -27.884 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.483 -28.887 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.226 -28.636 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.461 -30.139 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.032 -28.537 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.425 -30.013 5.582 1.00 0.00 H new ATOM 1589 N GLU A 103 2.065 -30.297 -0.858 1.00 0.00 N ATOM 1590 CA GLU A 103 2.319 -30.359 -2.287 1.00 0.00 C ATOM 1591 C GLU A 103 0.989 -30.091 -2.988 1.00 0.00 C ATOM 1592 O GLU A 103 -0.057 -30.544 -2.512 1.00 0.00 O ATOM 1593 CB GLU A 103 2.855 -31.751 -2.685 1.00 0.00 C ATOM 1594 CG GLU A 103 3.984 -32.311 -1.802 1.00 0.00 C ATOM 1595 CD GLU A 103 4.438 -33.699 -2.291 1.00 0.00 C ATOM 1596 OE1 GLU A 103 5.225 -33.789 -3.261 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.022 -34.722 -1.700 1.00 0.00 O ATOM 0 H GLU A 103 1.295 -30.896 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 103 3.071 -29.624 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.025 -32.457 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.214 -31.701 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.831 -31.625 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.641 -32.381 -0.770 1.00 0.00 H new ATOM 1604 N VAL A 104 1.014 -29.377 -4.113 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.172 -28.986 -4.848 1.00 0.00 C ATOM 1606 C VAL A 104 0.092 -29.152 -6.343 1.00 0.00 C ATOM 1607 O VAL A 104 1.212 -28.958 -6.823 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.549 -27.537 -4.486 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.182 -27.435 -3.090 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.616 -26.543 -4.577 1.00 0.00 C ATOM 0 H VAL A 104 1.881 -29.051 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.016 -29.622 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.280 -27.258 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.431 -26.395 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.088 -28.039 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.476 -27.798 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.266 -25.547 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.408 -26.847 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.002 -26.528 -5.596 1.00 0.00 H new ATOM 1620 N LEU A 105 -0.952 -29.509 -7.093 1.00 0.00 N ATOM 1621 CA LEU A 105 -0.829 -29.823 -8.516 1.00 0.00 C ATOM 1622 C LEU A 105 -1.170 -28.618 -9.394 1.00 0.00 C ATOM 1623 O LEU A 105 -1.097 -28.728 -10.618 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.697 -31.046 -8.875 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.307 -32.352 -8.152 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -2.244 -33.482 -8.595 1.00 0.00 C ATOM 1627 CD2 LEU A 105 0.147 -32.769 -8.420 1.00 0.00 C ATOM 0 H LEU A 105 -1.903 -29.588 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 105 0.213 -30.074 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.737 -30.816 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.639 -31.212 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.402 -32.166 -7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.968 -34.405 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.272 -33.222 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.158 -33.624 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.365 -33.694 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.289 -32.925 -9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.820 -31.984 -8.075 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.548 -27.477 -8.805 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.663 -26.229 -9.541 1.00 0.00 C ATOM 1641 C TYR A 106 -0.271 -25.613 -9.709 1.00 0.00 C ATOM 1642 O TYR A 106 0.619 -25.786 -8.871 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.668 -25.273 -8.879 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.402 -24.865 -7.439 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.375 -23.950 -7.133 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.234 -25.348 -6.410 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.180 -23.517 -5.810 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.052 -24.911 -5.086 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.028 -23.986 -4.781 1.00 0.00 C ATOM 1650 OH TYR A 106 -1.868 -23.562 -3.496 1.00 0.00 O ATOM 0 H TYR A 106 -1.779 -27.401 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.064 -26.428 -10.535 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.718 -24.366 -9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.653 -25.738 -8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.734 -23.579 -7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.015 -26.057 -6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.382 -22.826 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.695 -25.282 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.541 -23.988 -2.925 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.086 -24.885 -10.806 1.00 0.00 N ATOM 1661 CA LYS A 107 1.126 -24.206 -11.190 1.00 0.00 C ATOM 1662 C LYS A 107 1.305 -22.960 -10.328 1.00 0.00 C ATOM 1663 O LYS A 107 0.321 -22.379 -9.861 1.00 0.00 O ATOM 1664 CB LYS A 107 0.872 -23.886 -12.670 1.00 0.00 C ATOM 1665 CG LYS A 107 1.812 -22.870 -13.289 1.00 0.00 C ATOM 1666 CD LYS A 107 1.596 -22.760 -14.804 1.00 0.00 C ATOM 1667 CE LYS A 107 2.508 -21.678 -15.398 1.00 0.00 C ATOM 1668 NZ LYS A 107 2.283 -21.497 -16.855 1.00 0.00 N ATOM 0 H LYS A 107 -0.833 -24.751 -11.488 1.00 0.00 H new ATOM 0 HA LYS A 107 2.044 -24.778 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.939 -24.812 -13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.150 -23.521 -12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.654 -21.896 -12.826 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.844 -23.156 -13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.803 -23.719 -15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.553 -22.520 -15.013 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.331 -20.733 -14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.550 -21.946 -15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.919 -20.757 -17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.476 -22.391 -17.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.296 -21.216 -17.021 1.00 0.00 H new ATOM 1682 N LEU A 108 2.550 -22.515 -10.160 1.00 0.00 N ATOM 1683 CA LEU A 108 2.813 -21.234 -9.511 1.00 0.00 C ATOM 1684 C LEU A 108 2.276 -20.134 -10.425 1.00 0.00 C ATOM 1685 O LEU A 108 2.726 -20.010 -11.564 1.00 0.00 O ATOM 1686 CB LEU A 108 4.309 -20.977 -9.242 1.00 0.00 C ATOM 1687 CG LEU A 108 4.968 -21.908 -8.207 1.00 0.00 C ATOM 1688 CD1 LEU A 108 5.533 -23.183 -8.850 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.113 -21.172 -7.505 1.00 0.00 C ATOM 0 H LEU A 108 3.384 -23.018 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 108 2.321 -21.244 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.850 -21.069 -10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.428 -19.947 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 108 4.194 -22.195 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.987 -23.808 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.727 -23.734 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.286 -22.914 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.577 -21.834 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.856 -20.868 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.722 -20.289 -6.999 1.00 0.00 H new ATOM 1701 N THR A 109 1.359 -19.313 -9.924 1.00 0.00 N ATOM 1702 CA THR A 109 0.902 -18.098 -10.583 1.00 0.00 C ATOM 1703 C THR A 109 0.722 -17.049 -9.490 1.00 0.00 C ATOM 1704 O THR A 109 0.520 -17.402 -8.322 1.00 0.00 O ATOM 1705 CB THR A 109 -0.414 -18.328 -11.357 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.454 -18.718 -10.481 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.299 -19.389 -12.455 1.00 0.00 C ATOM 0 H THR A 109 0.903 -19.479 -9.027 1.00 0.00 H new ATOM 0 HA THR A 109 1.631 -17.770 -11.324 1.00 0.00 H new ATOM 0 HB THR A 109 -0.638 -17.371 -11.828 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.278 -18.857 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.260 -19.499 -12.957 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.456 -19.083 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.011 -20.342 -12.011 1.00 0.00 H new ATOM 1715 N SER A 110 0.744 -15.767 -9.858 1.00 0.00 N ATOM 1716 CA SER A 110 0.459 -14.677 -8.938 1.00 0.00 C ATOM 1717 C SER A 110 -0.875 -14.925 -8.220 1.00 0.00 C ATOM 1718 O SER A 110 -0.957 -14.766 -7.005 1.00 0.00 O ATOM 1719 CB SER A 110 0.447 -13.361 -9.731 1.00 0.00 C ATOM 1720 OG SER A 110 1.560 -13.288 -10.604 1.00 0.00 O ATOM 0 H SER A 110 0.961 -15.460 -10.806 1.00 0.00 H new ATOM 0 HA SER A 110 1.229 -14.615 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.476 -13.286 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.464 -12.516 -9.042 1.00 0.00 H new ATOM 0 HG SER A 110 2.328 -12.913 -10.124 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.893 -15.387 -8.958 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.222 -15.657 -8.434 1.00 0.00 C ATOM 1728 C GLU A 111 -3.190 -16.825 -7.441 1.00 0.00 C ATOM 1729 O GLU A 111 -3.732 -16.707 -6.343 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.142 -15.955 -9.629 1.00 0.00 C ATOM 1731 CG GLU A 111 -5.621 -16.104 -9.258 1.00 0.00 C ATOM 1732 CD GLU A 111 -6.255 -14.774 -8.807 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.570 -13.923 -9.671 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -6.471 -14.575 -7.591 1.00 0.00 O ATOM 0 H GLU A 111 -1.805 -15.585 -9.955 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.599 -14.794 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.041 -15.153 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.806 -16.872 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.170 -16.491 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.719 -16.839 -8.459 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.551 -17.947 -7.793 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.562 -19.142 -6.947 1.00 0.00 C ATOM 1743 C ASN A 112 -1.787 -18.900 -5.655 1.00 0.00 C ATOM 1744 O ASN A 112 -2.204 -19.364 -4.591 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.978 -20.359 -7.683 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.938 -20.975 -8.700 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.157 -20.879 -8.579 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.419 -21.634 -9.722 1.00 0.00 N ATOM 0 H ASN A 112 -2.020 -18.050 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.603 -19.355 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.063 -20.060 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.701 -21.118 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.031 -22.065 -10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.406 -21.711 -9.818 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.675 -18.167 -5.724 1.00 0.00 N ATOM 1756 CA CYS A 113 0.094 -17.832 -4.539 1.00 0.00 C ATOM 1757 C CYS A 113 -0.705 -16.874 -3.652 1.00 0.00 C ATOM 1758 O CYS A 113 -0.779 -17.103 -2.445 1.00 0.00 O ATOM 1759 CB CYS A 113 1.448 -17.248 -4.948 1.00 0.00 C ATOM 1760 SG CYS A 113 2.352 -18.470 -5.947 1.00 0.00 S ATOM 0 H CYS A 113 -0.291 -17.796 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 113 0.287 -18.732 -3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.304 -16.330 -5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.026 -16.986 -4.062 1.00 0.00 H new ATOM 0 HG CYS A 113 1.905 -18.449 -7.168 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.338 -15.844 -4.232 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.170 -14.890 -3.497 1.00 0.00 C ATOM 1768 C GLU A 114 -3.302 -15.624 -2.772 1.00 0.00 C ATOM 1769 O GLU A 114 -3.561 -15.365 -1.595 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.735 -13.836 -4.465 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.458 -12.691 -3.739 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.069 -11.652 -4.701 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.468 -11.313 -5.746 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -5.175 -11.150 -4.393 1.00 0.00 O ATOM 0 H GLU A 114 -1.284 -15.651 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.559 -14.384 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.922 -13.425 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.427 -14.317 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.248 -13.107 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.755 -12.191 -3.073 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.949 -16.558 -3.475 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.053 -17.365 -2.979 1.00 0.00 C ATOM 1783 C HIS A 115 -4.611 -18.113 -1.725 1.00 0.00 C ATOM 1784 O HIS A 115 -5.253 -17.989 -0.680 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.511 -18.305 -4.110 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.521 -19.359 -3.729 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.877 -19.346 -4.075 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.238 -20.537 -3.096 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.382 -20.504 -3.611 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.422 -21.233 -3.016 1.00 0.00 N ATOM 0 H HIS A 115 -3.704 -16.776 -4.441 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.904 -16.747 -2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.934 -17.698 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.632 -18.804 -4.519 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.274 -20.858 -2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.415 -20.806 -3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.550 -22.146 -2.580 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.489 -18.836 -1.797 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.014 -19.616 -0.668 1.00 0.00 C ATOM 1800 C PHE A 116 -2.683 -18.732 0.531 1.00 0.00 C ATOM 1801 O PHE A 116 -3.145 -19.018 1.637 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.796 -20.444 -1.099 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.003 -21.015 0.065 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.366 -22.243 0.651 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.079 -20.284 0.592 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.653 -22.726 1.764 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.775 -20.751 1.718 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.411 -21.979 2.300 1.00 0.00 C ATOM 0 H PHE A 116 -2.899 -18.892 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.811 -20.288 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.131 -21.263 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.138 -19.819 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.190 -22.813 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.376 -19.356 0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.924 -23.673 2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.585 -20.171 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.950 -22.349 3.160 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.902 -17.666 0.345 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.486 -16.858 1.492 1.00 0.00 C ATOM 1820 C VAL A 117 -2.696 -16.178 2.143 1.00 0.00 C ATOM 1821 O VAL A 117 -2.738 -16.053 3.367 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.350 -15.873 1.153 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.896 -16.614 0.648 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.730 -14.784 0.143 1.00 0.00 C ATOM 0 H VAL A 117 -1.554 -17.349 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.057 -17.535 2.231 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.137 -15.368 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.680 -15.893 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.249 -17.299 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.645 -17.177 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.129 -14.137 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.036 -15.248 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.554 -14.191 0.540 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.717 -15.801 1.363 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.940 -15.231 1.921 1.00 0.00 C ATOM 1836 C ASN A 118 -5.686 -16.267 2.752 1.00 0.00 C ATOM 1837 O ASN A 118 -6.237 -15.921 3.794 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.848 -14.633 0.839 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.444 -13.200 0.525 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.035 -12.252 1.028 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.396 -13.008 -0.256 1.00 0.00 N ATOM 0 H ASN A 118 -3.716 -15.882 0.346 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.646 -14.410 2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.790 -15.238 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.885 -14.658 1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.069 -12.061 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.914 -13.807 -0.668 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.649 -17.540 2.360 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.183 -18.634 3.150 1.00 0.00 C ATOM 1850 C GLU A 119 -5.526 -18.726 4.529 1.00 0.00 C ATOM 1851 O GLU A 119 -6.191 -19.088 5.498 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.011 -19.960 2.388 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.237 -20.847 2.589 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.920 -22.337 2.386 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.987 -22.835 1.239 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -6.626 -23.019 3.395 1.00 0.00 O ATOM 0 H GLU A 119 -5.241 -17.838 1.474 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.243 -18.438 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.867 -19.761 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.118 -20.477 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.631 -20.696 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.019 -20.546 1.891 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.237 -18.407 4.648 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.550 -18.416 5.933 1.00 0.00 C ATOM 1865 C LEU A 120 -3.924 -17.178 6.740 1.00 0.00 C ATOM 1866 O LEU A 120 -4.185 -17.274 7.936 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.027 -18.425 5.751 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.462 -19.542 4.866 1.00 0.00 C ATOM 1869 CD1 LEU A 120 0.053 -19.362 4.782 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.775 -20.934 5.404 1.00 0.00 C ATOM 0 H LEU A 120 -3.646 -18.138 3.861 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.857 -19.321 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.726 -17.466 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.564 -18.499 6.735 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.930 -19.467 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.478 -20.147 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.280 -18.388 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.483 -19.422 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.351 -21.685 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.343 -21.045 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.855 -21.068 5.461 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.916 -16.009 6.093 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.045 -14.719 6.766 1.00 0.00 C ATOM 1884 C ARG A 121 -5.487 -14.464 7.204 1.00 0.00 C ATOM 1885 O ARG A 121 -5.702 -13.889 8.269 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.506 -13.623 5.824 1.00 0.00 C ATOM 1887 CG ARG A 121 -2.708 -12.522 6.531 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.549 -11.578 7.391 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.716 -10.529 8.005 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.181 -9.423 8.594 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.490 -9.225 8.718 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.368 -8.491 9.077 1.00 0.00 N ATOM 0 H ARG A 121 -3.819 -15.934 5.080 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.455 -14.712 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.872 -14.088 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.345 -13.167 5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.950 -12.988 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.180 -11.935 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.324 -11.118 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.055 -12.147 8.171 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.704 -10.657 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.147 -9.920 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.837 -8.378 9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.357 -8.608 9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.754 -7.658 9.521 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.465 -14.918 6.420 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.884 -14.625 6.629 1.00 0.00 C ATOM 1908 C TYR A 122 -8.735 -15.903 6.673 1.00 0.00 C ATOM 1909 O TYR A 122 -9.962 -15.820 6.679 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.390 -13.647 5.551 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.568 -12.379 5.384 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -7.712 -11.300 6.280 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -6.662 -12.276 4.313 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -6.947 -10.129 6.110 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -5.885 -11.117 4.146 1.00 0.00 C ATOM 1916 CZ TYR A 122 -6.026 -10.036 5.043 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.265 -8.915 4.895 1.00 0.00 O ATOM 0 H TYR A 122 -6.291 -15.510 5.608 1.00 0.00 H new ATOM 0 HA TYR A 122 -7.988 -14.149 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.419 -14.170 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.415 -13.366 5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.411 -11.371 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.563 -13.093 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.065 -9.303 6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.179 -11.053 3.331 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.684 -9.015 4.112 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.124 -17.092 6.695 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.824 -18.361 6.898 1.00 0.00 C ATOM 1929 C GLY A 123 -9.404 -18.934 5.605 1.00 0.00 C ATOM 1930 O GLY A 123 -9.634 -20.141 5.521 1.00 0.00 O ATOM 0 H GLY A 123 -7.117 -17.200 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.135 -19.085 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.629 -18.215 7.618 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.608 -18.099 4.585 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.062 -18.480 3.256 1.00 0.00 C ATOM 1936 C VAL A 124 -9.506 -17.435 2.278 1.00 0.00 C ATOM 1937 O VAL A 124 -9.381 -16.260 2.642 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.605 -18.606 3.254 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.346 -17.299 3.579 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.126 -19.187 1.932 1.00 0.00 C ATOM 0 H VAL A 124 -9.453 -17.095 4.672 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.696 -19.458 2.944 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.825 -19.299 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.421 -17.475 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.056 -16.953 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.087 -16.541 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.213 -19.260 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.834 -18.535 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.701 -20.179 1.778 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.120 -17.871 1.073 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.716 -16.985 -0.011 1.00 0.00 C ATOM 1952 C ALA A 125 -9.744 -15.871 -0.230 1.00 0.00 C ATOM 1953 O ALA A 125 -10.959 -16.165 -0.277 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.530 -17.795 -1.291 1.00 0.00 C ATOM 1955 OXT ALA A 125 -9.327 -14.710 -0.417 1.00 0.00 O ATOM 0 H ALA A 125 -9.081 -18.860 0.826 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.771 -16.515 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.228 -17.131 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.760 -18.551 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.469 -18.283 -1.553 1.00 0.00 H new TER 1961 ALA A 125