USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 5 THR OG1 : rot 53:sc= 1.02 USER MOD Set 1.2: A 6 GLN : amide:sc= 0.594 K(o=1.6,f=-2.2!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 164:sc= -0.067 (180deg=-0.412) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= 0.683 (180deg=-0.0233) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 58 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 83 THR OG1 : rot 140:sc= -0.016 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00202 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.103 K(o=0.1,f=-4.6!) USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= 1.94 (180deg=1.57) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 106 MET CE :methyl -155:sc= 0 (180deg=-0.175) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.574 5.648 -5.078 1.00 0.00 N ATOM 42 CA LEU A 4 7.223 6.434 -6.116 1.00 0.00 C ATOM 43 C LEU A 4 6.356 6.563 -7.370 1.00 0.00 C ATOM 44 O LEU A 4 6.879 6.764 -8.466 1.00 0.00 O ATOM 45 CB LEU A 4 8.605 5.848 -6.431 1.00 0.00 C ATOM 46 CG LEU A 4 9.578 6.022 -5.262 1.00 0.00 C ATOM 47 CD1 LEU A 4 10.905 5.351 -5.589 1.00 0.00 C ATOM 48 CD2 LEU A 4 9.876 7.499 -5.033 1.00 0.00 C ATOM 0 HA LEU A 4 7.358 7.448 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.505 4.788 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.012 6.334 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 4 9.118 5.580 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.593 5.478 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.741 4.288 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.332 5.806 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.569 7.605 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.323 7.924 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.950 8.026 -4.804 1.00 0.00 H new ATOM 60 N THR A 5 5.034 6.450 -7.214 1.00 0.00 N ATOM 61 CA THR A 5 4.067 6.681 -8.274 1.00 0.00 C ATOM 62 C THR A 5 3.612 8.132 -8.245 1.00 0.00 C ATOM 63 O THR A 5 3.005 8.603 -9.204 1.00 0.00 O ATOM 64 CB THR A 5 2.854 5.766 -8.102 1.00 0.00 C ATOM 65 OG1 THR A 5 2.663 5.418 -6.749 1.00 0.00 O ATOM 66 CG2 THR A 5 3.056 4.495 -8.913 1.00 0.00 C ATOM 0 H THR A 5 4.604 6.190 -6.326 1.00 0.00 H new ATOM 0 HA THR A 5 4.542 6.462 -9.231 1.00 0.00 H new ATOM 0 HB THR A 5 1.973 6.305 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.624 6.232 -6.204 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.191 3.843 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.171 4.750 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.951 3.980 -8.565 1.00 0.00 H new ATOM 74 N GLN A 6 3.903 8.839 -7.151 1.00 0.00 N ATOM 75 CA GLN A 6 3.519 10.222 -6.988 1.00 0.00 C ATOM 76 C GLN A 6 4.732 11.137 -6.929 1.00 0.00 C ATOM 77 O GLN A 6 5.497 11.091 -5.965 1.00 0.00 O ATOM 78 CB GLN A 6 2.703 10.351 -5.708 1.00 0.00 C ATOM 79 CG GLN A 6 1.316 9.725 -5.889 1.00 0.00 C ATOM 80 CD GLN A 6 1.273 8.223 -5.623 1.00 0.00 C ATOM 81 OE1 GLN A 6 2.214 7.631 -5.104 1.00 0.00 O ATOM 82 NE2 GLN A 6 0.164 7.584 -5.980 1.00 0.00 N ATOM 0 H GLN A 6 4.414 8.456 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 6 2.925 10.527 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.225 9.861 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.601 11.402 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.614 10.222 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.974 9.913 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.605 8.098 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.082 6.579 -5.824 1.00 0.00 H new ATOM 91 N ILE A 7 4.897 11.965 -7.965 1.00 0.00 N ATOM 92 CA ILE A 7 6.037 12.857 -8.098 1.00 0.00 C ATOM 93 C ILE A 7 5.568 14.309 -8.119 1.00 0.00 C ATOM 94 O ILE A 7 4.659 14.657 -8.872 1.00 0.00 O ATOM 95 CB ILE A 7 6.817 12.517 -9.375 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.082 11.011 -9.515 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.135 13.290 -9.400 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.810 10.416 -8.310 1.00 0.00 C ATOM 0 H ILE A 7 4.234 12.030 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 7 6.699 12.725 -7.242 1.00 0.00 H new ATOM 0 HB ILE A 7 6.200 12.814 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.133 10.492 -9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.674 10.834 -10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.684 13.044 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.930 14.360 -9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.733 13.018 -8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.967 9.349 -8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.773 10.910 -8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.209 10.563 -7.413 1.00 0.00 H new ATOM 110 N LEU A 8 6.191 15.155 -7.296 1.00 0.00 N ATOM 111 CA LEU A 8 5.877 16.574 -7.239 1.00 0.00 C ATOM 112 C LEU A 8 6.769 17.328 -8.221 1.00 0.00 C ATOM 113 O LEU A 8 7.946 17.000 -8.363 1.00 0.00 O ATOM 114 CB LEU A 8 6.054 17.061 -5.796 1.00 0.00 C ATOM 115 CG LEU A 8 5.083 18.167 -5.369 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.447 18.594 -3.950 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.139 19.407 -6.252 1.00 0.00 C ATOM 0 H LEU A 8 6.928 14.869 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 8 4.843 16.759 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.934 16.212 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.074 17.424 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 8 4.077 17.755 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.769 19.382 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.361 17.739 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.471 18.966 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.424 20.145 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.144 19.829 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.889 19.135 -7.278 1.00 0.00 H new ATOM 129 N ILE A 9 6.218 18.333 -8.901 1.00 0.00 N ATOM 130 CA ILE A 9 6.948 19.148 -9.863 1.00 0.00 C ATOM 131 C ILE A 9 7.246 20.517 -9.259 1.00 0.00 C ATOM 132 O ILE A 9 6.348 21.167 -8.726 1.00 0.00 O ATOM 133 CB ILE A 9 6.108 19.271 -11.139 1.00 0.00 C ATOM 134 CG1 ILE A 9 5.977 17.892 -11.795 1.00 0.00 C ATOM 135 CG2 ILE A 9 6.722 20.278 -12.118 1.00 0.00 C ATOM 136 CD1 ILE A 9 4.961 17.904 -12.934 1.00 0.00 C ATOM 0 H ILE A 9 5.241 18.605 -8.796 1.00 0.00 H new ATOM 0 HA ILE A 9 7.901 18.681 -10.113 1.00 0.00 H new ATOM 0 HB ILE A 9 5.119 19.641 -10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.948 17.577 -12.177 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.676 17.160 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.102 20.341 -13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.777 21.258 -11.645 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.725 19.952 -12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.896 16.909 -13.374 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.984 18.194 -12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.276 18.618 -13.695 1.00 0.00 H new ATOM 148 N VAL A 10 8.507 20.950 -9.349 1.00 0.00 N ATOM 149 CA VAL A 10 8.927 22.259 -8.868 1.00 0.00 C ATOM 150 C VAL A 10 9.665 22.973 -9.997 1.00 0.00 C ATOM 151 O VAL A 10 10.703 22.505 -10.461 1.00 0.00 O ATOM 152 CB VAL A 10 9.821 22.123 -7.629 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.108 23.503 -7.037 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.151 21.259 -6.558 1.00 0.00 C ATOM 0 H VAL A 10 9.262 20.399 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 10 8.054 22.842 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 10 10.751 21.647 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.743 23.397 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.616 24.119 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.170 23.979 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.807 21.180 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.208 21.717 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.960 20.264 -6.960 1.00 0.00 H new ATOM 164 N GLU A 11 9.117 24.110 -10.434 1.00 0.00 N ATOM 165 CA GLU A 11 9.605 24.843 -11.594 1.00 0.00 C ATOM 166 C GLU A 11 9.431 26.343 -11.367 1.00 0.00 C ATOM 167 O GLU A 11 8.582 26.757 -10.578 1.00 0.00 O ATOM 168 CB GLU A 11 8.828 24.346 -12.819 1.00 0.00 C ATOM 169 CG GLU A 11 9.254 25.003 -14.130 1.00 0.00 C ATOM 170 CD GLU A 11 10.749 24.843 -14.381 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.173 23.700 -14.649 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.458 25.871 -14.301 1.00 0.00 O ATOM 0 H GLU A 11 8.313 24.548 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 11 10.669 24.671 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.957 23.267 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.765 24.528 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.697 24.561 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.001 26.063 -14.105 1.00 0.00 H new ATOM 179 N ASP A 12 10.230 27.162 -12.057 1.00 0.00 N ATOM 180 CA ASP A 12 10.231 28.614 -11.891 1.00 0.00 C ATOM 181 C ASP A 12 9.985 29.331 -13.226 1.00 0.00 C ATOM 182 O ASP A 12 10.227 30.529 -13.360 1.00 0.00 O ATOM 183 CB ASP A 12 11.540 29.032 -11.222 1.00 0.00 C ATOM 184 CG ASP A 12 11.546 30.507 -10.832 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.618 31.133 -10.985 1.00 0.00 O ATOM 186 OD2 ASP A 12 10.488 31.008 -10.384 1.00 0.00 O ATOM 0 H ASP A 12 10.899 26.831 -12.752 1.00 0.00 H new ATOM 0 HA ASP A 12 9.406 28.914 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.702 28.423 -10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.371 28.834 -11.899 1.00 0.00 H new ATOM 191 N GLU A 13 9.499 28.585 -14.221 1.00 0.00 N ATOM 192 CA GLU A 13 9.136 29.106 -15.529 1.00 0.00 C ATOM 193 C GLU A 13 7.796 28.486 -15.930 1.00 0.00 C ATOM 194 O GLU A 13 7.745 27.303 -16.261 1.00 0.00 O ATOM 195 CB GLU A 13 10.250 28.751 -16.524 1.00 0.00 C ATOM 196 CG GLU A 13 9.899 29.180 -17.950 1.00 0.00 C ATOM 197 CD GLU A 13 9.648 30.682 -18.047 1.00 0.00 C ATOM 198 OE1 GLU A 13 10.595 31.450 -17.777 1.00 0.00 O ATOM 199 OE2 GLU A 13 8.503 31.049 -18.394 1.00 0.00 O ATOM 0 H GLU A 13 9.346 27.581 -14.132 1.00 0.00 H new ATOM 0 HA GLU A 13 9.028 30.191 -15.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.178 29.234 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.428 27.676 -16.502 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.711 28.903 -18.623 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.012 28.641 -18.283 1.00 0.00 H new ATOM 206 N PRO A 14 6.706 29.266 -15.904 1.00 0.00 N ATOM 207 CA PRO A 14 5.362 28.782 -16.181 1.00 0.00 C ATOM 208 C PRO A 14 5.221 28.059 -17.522 1.00 0.00 C ATOM 209 O PRO A 14 4.325 27.232 -17.669 1.00 0.00 O ATOM 210 CB PRO A 14 4.477 30.030 -16.144 1.00 0.00 C ATOM 211 CG PRO A 14 5.225 30.967 -15.201 1.00 0.00 C ATOM 212 CD PRO A 14 6.681 30.672 -15.541 1.00 0.00 C ATOM 0 HA PRO A 14 5.080 28.030 -15.444 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.359 30.468 -17.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.477 29.803 -15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.969 32.012 -15.378 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.000 30.757 -14.155 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.029 31.298 -16.363 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.333 30.871 -14.691 1.00 0.00 H new ATOM 220 N LEU A 15 6.088 28.353 -18.498 1.00 0.00 N ATOM 221 CA LEU A 15 6.015 27.695 -19.794 1.00 0.00 C ATOM 222 C LEU A 15 6.595 26.283 -19.710 1.00 0.00 C ATOM 223 O LEU A 15 6.078 25.357 -20.333 1.00 0.00 O ATOM 224 CB LEU A 15 6.768 28.550 -20.819 1.00 0.00 C ATOM 225 CG LEU A 15 6.728 27.946 -22.226 1.00 0.00 C ATOM 226 CD1 LEU A 15 5.290 27.828 -22.736 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.514 28.848 -23.174 1.00 0.00 C ATOM 0 H LEU A 15 6.840 29.037 -18.410 1.00 0.00 H new ATOM 0 HA LEU A 15 4.975 27.597 -20.106 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.334 29.549 -20.843 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.805 28.661 -20.504 1.00 0.00 H new ATOM 0 HG LEU A 15 7.166 26.949 -22.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.293 27.396 -23.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.718 27.187 -22.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.833 28.817 -22.769 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.492 28.427 -24.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.065 29.841 -23.187 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.547 28.921 -22.834 1.00 0.00 H new ATOM 239 N ILE A 16 7.670 26.111 -18.936 1.00 0.00 N ATOM 240 CA ILE A 16 8.311 24.812 -18.781 1.00 0.00 C ATOM 241 C ILE A 16 7.518 23.968 -17.790 1.00 0.00 C ATOM 242 O ILE A 16 7.585 22.742 -17.840 1.00 0.00 O ATOM 243 CB ILE A 16 9.771 25.013 -18.353 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.501 25.801 -19.453 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.454 23.660 -18.120 1.00 0.00 C ATOM 246 CD1 ILE A 16 11.959 26.086 -19.095 1.00 0.00 C ATOM 0 H ILE A 16 8.113 26.862 -18.407 1.00 0.00 H new ATOM 0 HA ILE A 16 8.321 24.272 -19.728 1.00 0.00 H new ATOM 0 HB ILE A 16 9.806 25.570 -17.417 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.462 25.239 -20.386 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.981 26.743 -19.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.488 23.822 -17.817 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.927 23.117 -17.336 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.433 23.078 -19.041 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.430 26.644 -19.904 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.000 26.673 -18.177 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.488 25.145 -18.948 1.00 0.00 H new ATOM 258 N ALA A 17 6.761 24.606 -16.892 1.00 0.00 N ATOM 259 CA ALA A 17 5.941 23.886 -15.935 1.00 0.00 C ATOM 260 C ALA A 17 4.785 23.181 -16.643 1.00 0.00 C ATOM 261 O ALA A 17 4.349 22.121 -16.198 1.00 0.00 O ATOM 262 CB ALA A 17 5.418 24.865 -14.888 1.00 0.00 C ATOM 0 H ALA A 17 6.705 25.621 -16.814 1.00 0.00 H new ATOM 0 HA ALA A 17 6.544 23.123 -15.443 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.801 24.330 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.258 25.330 -14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.820 25.635 -15.376 1.00 0.00 H new ATOM 268 N MET A 18 4.285 23.756 -17.744 1.00 0.00 N ATOM 269 CA MET A 18 3.220 23.132 -18.517 1.00 0.00 C ATOM 270 C MET A 18 3.790 21.998 -19.365 1.00 0.00 C ATOM 271 O MET A 18 3.101 21.012 -19.624 1.00 0.00 O ATOM 272 CB MET A 18 2.533 24.179 -19.396 1.00 0.00 C ATOM 273 CG MET A 18 1.801 25.203 -18.532 1.00 0.00 C ATOM 274 SD MET A 18 0.994 26.514 -19.489 1.00 0.00 S ATOM 275 CE MET A 18 0.317 27.492 -18.125 1.00 0.00 C ATOM 0 H MET A 18 4.605 24.651 -18.114 1.00 0.00 H new ATOM 0 HA MET A 18 2.477 22.713 -17.838 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.273 24.682 -20.019 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.828 23.692 -20.069 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.051 24.689 -17.931 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.510 25.655 -17.839 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.220 28.352 -18.525 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.367 26.877 -17.540 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.130 27.838 -17.486 1.00 0.00 H new ATOM 285 N MET A 19 5.050 22.129 -19.799 1.00 0.00 N ATOM 286 CA MET A 19 5.720 21.053 -20.518 1.00 0.00 C ATOM 287 C MET A 19 6.076 19.923 -19.553 1.00 0.00 C ATOM 288 O MET A 19 6.233 18.779 -19.971 1.00 0.00 O ATOM 289 CB MET A 19 6.983 21.585 -21.197 1.00 0.00 C ATOM 290 CG MET A 19 6.634 22.588 -22.294 1.00 0.00 C ATOM 291 SD MET A 19 8.073 23.325 -23.114 1.00 0.00 S ATOM 292 CE MET A 19 8.792 21.836 -23.861 1.00 0.00 C ATOM 0 H MET A 19 5.618 22.966 -19.663 1.00 0.00 H new ATOM 0 HA MET A 19 5.048 20.664 -21.282 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.626 22.060 -20.456 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.547 20.756 -21.624 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.019 22.090 -23.043 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.028 23.385 -21.863 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.510 22.124 -24.628 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.297 21.251 -23.092 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.001 21.237 -24.312 1.00 0.00 H new ATOM 302 N LEU A 20 6.203 20.235 -18.260 1.00 0.00 N ATOM 303 CA LEU A 20 6.549 19.242 -17.256 1.00 0.00 C ATOM 304 C LEU A 20 5.358 18.339 -16.960 1.00 0.00 C ATOM 305 O LEU A 20 5.536 17.154 -16.691 1.00 0.00 O ATOM 306 CB LEU A 20 7.013 19.962 -15.983 1.00 0.00 C ATOM 307 CG LEU A 20 8.411 19.534 -15.526 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.465 18.035 -15.240 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.448 19.929 -16.574 1.00 0.00 C ATOM 0 H LEU A 20 6.069 21.176 -17.889 1.00 0.00 H new ATOM 0 HA LEU A 20 7.356 18.612 -17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.008 21.038 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.300 19.767 -15.182 1.00 0.00 H new ATOM 0 HG LEU A 20 8.642 20.052 -14.595 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.470 17.762 -14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.752 17.789 -14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.212 17.483 -16.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.439 19.621 -16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.215 19.439 -17.519 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.432 21.010 -16.712 1.00 0.00 H new ATOM 321 N GLU A 21 4.141 18.890 -17.011 1.00 0.00 N ATOM 322 CA GLU A 21 2.940 18.092 -16.825 1.00 0.00 C ATOM 323 C GLU A 21 2.632 17.304 -18.099 1.00 0.00 C ATOM 324 O GLU A 21 1.943 16.289 -18.041 1.00 0.00 O ATOM 325 CB GLU A 21 1.762 18.997 -16.455 1.00 0.00 C ATOM 326 CG GLU A 21 2.003 19.716 -15.129 1.00 0.00 C ATOM 327 CD GLU A 21 0.761 20.506 -14.723 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.675 21.691 -15.113 1.00 0.00 O ATOM 329 OE2 GLU A 21 -0.094 19.918 -14.021 1.00 0.00 O ATOM 0 H GLU A 21 3.969 19.881 -17.179 1.00 0.00 H new ATOM 0 HA GLU A 21 3.104 17.385 -16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.604 19.731 -17.245 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.852 18.401 -16.387 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.251 18.991 -14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.856 20.388 -15.221 1.00 0.00 H new ATOM 336 N ASP A 22 3.141 17.765 -19.248 1.00 0.00 N ATOM 337 CA ASP A 22 2.950 17.061 -20.507 1.00 0.00 C ATOM 338 C ASP A 22 3.869 15.845 -20.581 1.00 0.00 C ATOM 339 O ASP A 22 3.470 14.805 -21.099 1.00 0.00 O ATOM 340 CB ASP A 22 3.204 18.024 -21.665 1.00 0.00 C ATOM 341 CG ASP A 22 2.940 17.355 -23.011 1.00 0.00 C ATOM 342 OD1 ASP A 22 3.931 17.071 -23.720 1.00 0.00 O ATOM 343 OD2 ASP A 22 1.749 17.134 -23.320 1.00 0.00 O ATOM 0 H ASP A 22 3.687 18.623 -19.324 1.00 0.00 H new ATOM 0 HA ASP A 22 1.924 16.699 -20.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.563 18.900 -21.560 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.235 18.377 -21.628 1.00 0.00 H new ATOM 348 N PHE A 23 5.098 15.960 -20.065 1.00 0.00 N ATOM 349 CA PHE A 23 6.021 14.837 -20.041 1.00 0.00 C ATOM 350 C PHE A 23 5.647 13.837 -18.953 1.00 0.00 C ATOM 351 O PHE A 23 6.012 12.666 -19.055 1.00 0.00 O ATOM 352 CB PHE A 23 7.446 15.350 -19.840 1.00 0.00 C ATOM 353 CG PHE A 23 8.177 15.560 -21.145 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.580 14.444 -21.893 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.456 16.853 -21.613 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.265 14.614 -23.100 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.134 17.024 -22.829 1.00 0.00 C ATOM 358 CZ PHE A 23 9.539 15.906 -23.572 1.00 0.00 C ATOM 0 H PHE A 23 5.469 16.820 -19.661 1.00 0.00 H new ATOM 0 HA PHE A 23 5.961 14.316 -20.996 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.415 16.290 -19.289 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.001 14.640 -19.227 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.360 13.449 -21.535 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.149 17.715 -21.038 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.583 13.752 -23.668 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.344 18.019 -23.194 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.062 16.040 -24.508 1.00 0.00 H new ATOM 368 N LEU A 24 4.923 14.276 -17.924 1.00 0.00 N ATOM 369 CA LEU A 24 4.503 13.381 -16.853 1.00 0.00 C ATOM 370 C LEU A 24 3.320 12.524 -17.312 1.00 0.00 C ATOM 371 O LEU A 24 3.090 11.445 -16.772 1.00 0.00 O ATOM 372 CB LEU A 24 4.159 14.214 -15.612 1.00 0.00 C ATOM 373 CG LEU A 24 3.999 13.343 -14.359 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.336 12.720 -13.955 1.00 0.00 C ATOM 375 CD2 LEU A 24 3.506 14.199 -13.197 1.00 0.00 C ATOM 0 H LEU A 24 4.617 15.243 -17.812 1.00 0.00 H new ATOM 0 HA LEU A 24 5.313 12.698 -16.595 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.943 14.952 -15.442 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.236 14.765 -15.790 1.00 0.00 H new ATOM 0 HG LEU A 24 3.283 12.554 -14.588 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.197 12.107 -13.064 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.708 12.098 -14.769 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.056 13.510 -13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.394 13.577 -12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.228 14.991 -12.996 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.544 14.642 -13.454 1.00 0.00 H new ATOM 387 N GLU A 25 2.570 13.000 -18.313 1.00 0.00 N ATOM 388 CA GLU A 25 1.429 12.270 -18.845 1.00 0.00 C ATOM 389 C GLU A 25 1.888 11.233 -19.869 1.00 0.00 C ATOM 390 O GLU A 25 1.274 10.175 -19.995 1.00 0.00 O ATOM 391 CB GLU A 25 0.449 13.271 -19.461 1.00 0.00 C ATOM 392 CG GLU A 25 -0.829 12.572 -19.928 1.00 0.00 C ATOM 393 CD GLU A 25 -1.835 13.578 -20.473 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.649 14.083 -19.666 1.00 0.00 O ATOM 395 OE2 GLU A 25 -1.793 13.839 -21.695 1.00 0.00 O ATOM 0 H GLU A 25 2.741 13.896 -18.770 1.00 0.00 H new ATOM 0 HA GLU A 25 0.926 11.729 -18.043 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.201 14.039 -18.729 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.921 13.775 -20.304 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.587 11.841 -20.699 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.272 12.023 -19.097 1.00 0.00 H new ATOM 402 N VAL A 26 2.967 11.528 -20.604 1.00 0.00 N ATOM 403 CA VAL A 26 3.537 10.582 -21.556 1.00 0.00 C ATOM 404 C VAL A 26 4.333 9.515 -20.804 1.00 0.00 C ATOM 405 O VAL A 26 4.589 8.434 -21.333 1.00 0.00 O ATOM 406 CB VAL A 26 4.410 11.343 -22.561 1.00 0.00 C ATOM 407 CG1 VAL A 26 5.109 10.389 -23.532 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.540 12.292 -23.389 1.00 0.00 C ATOM 0 H VAL A 26 3.461 12.419 -20.553 1.00 0.00 H new ATOM 0 HA VAL A 26 2.746 10.076 -22.110 1.00 0.00 H new ATOM 0 HB VAL A 26 5.158 11.892 -21.989 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.719 10.963 -24.230 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.745 9.703 -22.973 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.361 9.821 -24.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.165 12.830 -24.101 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.787 11.718 -23.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.048 13.005 -22.727 1.00 0.00 H new ATOM 418 N LEU A 27 4.720 9.819 -19.560 1.00 0.00 N ATOM 419 CA LEU A 27 5.430 8.896 -18.691 1.00 0.00 C ATOM 420 C LEU A 27 4.446 7.948 -17.994 1.00 0.00 C ATOM 421 O LEU A 27 4.859 7.092 -17.212 1.00 0.00 O ATOM 422 CB LEU A 27 6.253 9.726 -17.700 1.00 0.00 C ATOM 423 CG LEU A 27 7.254 8.924 -16.868 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.267 8.201 -17.757 1.00 0.00 C ATOM 425 CD2 LEU A 27 8.010 9.890 -15.958 1.00 0.00 C ATOM 0 H LEU A 27 4.543 10.727 -19.130 1.00 0.00 H new ATOM 0 HA LEU A 27 6.105 8.260 -19.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.794 10.494 -18.253 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.570 10.241 -17.024 1.00 0.00 H new ATOM 0 HG LEU A 27 6.707 8.179 -16.291 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.964 7.641 -17.133 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.743 7.515 -18.422 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.818 8.932 -18.350 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.730 9.335 -15.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.536 10.626 -16.566 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.304 10.399 -15.302 1.00 0.00 H new ATOM 437 N ASP A 28 3.144 8.096 -18.275 1.00 0.00 N ATOM 438 CA ASP A 28 2.084 7.302 -17.661 1.00 0.00 C ATOM 439 C ASP A 28 2.152 7.353 -16.130 1.00 0.00 C ATOM 440 O ASP A 28 1.748 6.415 -15.446 1.00 0.00 O ATOM 441 CB ASP A 28 2.092 5.883 -18.238 1.00 0.00 C ATOM 442 CG ASP A 28 0.855 5.088 -17.821 1.00 0.00 C ATOM 443 OD1 ASP A 28 1.031 3.928 -17.384 1.00 0.00 O ATOM 444 OD2 ASP A 28 -0.258 5.646 -17.942 1.00 0.00 O ATOM 0 H ASP A 28 2.798 8.782 -18.946 1.00 0.00 H new ATOM 0 HA ASP A 28 1.117 7.737 -17.912 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.140 5.934 -19.326 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.988 5.361 -17.903 1.00 0.00 H new ATOM 449 N LYS A 29 2.672 8.465 -15.600 1.00 0.00 N ATOM 450 CA LYS A 29 2.891 8.661 -14.175 1.00 0.00 C ATOM 451 C LYS A 29 1.674 9.315 -13.526 1.00 0.00 C ATOM 452 O LYS A 29 0.894 9.978 -14.210 1.00 0.00 O ATOM 453 CB LYS A 29 4.138 9.530 -13.998 1.00 0.00 C ATOM 454 CG LYS A 29 5.198 8.851 -13.134 1.00 0.00 C ATOM 455 CD LYS A 29 4.701 8.672 -11.700 1.00 0.00 C ATOM 456 CE LYS A 29 5.847 8.204 -10.812 1.00 0.00 C ATOM 457 NZ LYS A 29 6.318 6.857 -11.192 1.00 0.00 N ATOM 0 H LYS A 29 2.956 9.265 -16.165 1.00 0.00 H new ATOM 0 HA LYS A 29 3.039 7.699 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.561 9.758 -14.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.855 10.480 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.452 7.880 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.110 9.447 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.299 9.613 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.889 7.945 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.673 8.911 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.521 8.196 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.686 6.368 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.527 6.312 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.073 6.941 -11.902 1.00 0.00 H new ATOM 471 N THR A 30 1.505 9.139 -12.212 1.00 0.00 N ATOM 472 CA THR A 30 0.407 9.773 -11.489 1.00 0.00 C ATOM 473 C THR A 30 0.867 11.117 -10.913 1.00 0.00 C ATOM 474 O THR A 30 1.821 11.157 -10.139 1.00 0.00 O ATOM 475 CB THR A 30 -0.093 8.826 -10.393 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.539 7.623 -10.982 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.256 9.451 -9.625 1.00 0.00 C ATOM 0 H THR A 30 2.115 8.563 -11.631 1.00 0.00 H new ATOM 0 HA THR A 30 -0.421 9.973 -12.169 1.00 0.00 H new ATOM 0 HB THR A 30 0.729 8.634 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.858 7.015 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.594 8.761 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.928 10.382 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.077 9.657 -10.312 1.00 0.00 H new ATOM 485 N PRO A 31 0.205 12.222 -11.278 1.00 0.00 N ATOM 486 CA PRO A 31 0.518 13.559 -10.796 1.00 0.00 C ATOM 487 C PRO A 31 -0.037 13.785 -9.391 1.00 0.00 C ATOM 488 O PRO A 31 -0.925 13.055 -8.950 1.00 0.00 O ATOM 489 CB PRO A 31 -0.147 14.503 -11.798 1.00 0.00 C ATOM 490 CG PRO A 31 -1.401 13.725 -12.190 1.00 0.00 C ATOM 491 CD PRO A 31 -0.906 12.277 -12.215 1.00 0.00 C ATOM 0 HA PRO A 31 1.593 13.722 -10.725 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.389 15.467 -11.351 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.494 14.702 -12.657 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.206 13.865 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.785 14.038 -13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.698 11.588 -11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.587 11.990 -13.217 1.00 0.00 H new ATOM 499 N VAL A 32 0.482 14.797 -8.686 1.00 0.00 N ATOM 500 CA VAL A 32 0.004 15.151 -7.353 1.00 0.00 C ATOM 501 C VAL A 32 -0.033 16.658 -7.120 1.00 0.00 C ATOM 502 O VAL A 32 -0.720 17.110 -6.205 1.00 0.00 O ATOM 503 CB VAL A 32 0.872 14.496 -6.276 1.00 0.00 C ATOM 504 CG1 VAL A 32 0.753 12.976 -6.324 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.344 14.874 -6.435 1.00 0.00 C ATOM 0 H VAL A 32 1.241 15.388 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.018 14.778 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 32 0.508 14.863 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.380 12.537 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.285 12.687 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.078 12.616 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.930 14.391 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.701 14.546 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.453 15.956 -6.354 1.00 0.00 H new ATOM 515 N GLY A 33 0.689 17.443 -7.924 1.00 0.00 N ATOM 516 CA GLY A 33 0.657 18.890 -7.800 1.00 0.00 C ATOM 517 C GLY A 33 1.811 19.565 -8.532 1.00 0.00 C ATOM 518 O GLY A 33 2.720 18.904 -9.035 1.00 0.00 O ATOM 0 H GLY A 33 1.299 17.095 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.288 19.264 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.692 19.162 -6.745 1.00 0.00 H new ATOM 522 N THR A 34 1.760 20.898 -8.579 1.00 0.00 N ATOM 523 CA THR A 34 2.800 21.744 -9.149 1.00 0.00 C ATOM 524 C THR A 34 2.974 22.965 -8.253 1.00 0.00 C ATOM 525 O THR A 34 1.995 23.478 -7.715 1.00 0.00 O ATOM 526 CB THR A 34 2.430 22.186 -10.571 1.00 0.00 C ATOM 527 OG1 THR A 34 1.175 22.833 -10.573 1.00 0.00 O ATOM 528 CG2 THR A 34 2.353 20.992 -11.520 1.00 0.00 C ATOM 0 H THR A 34 0.971 21.429 -8.210 1.00 0.00 H new ATOM 0 HA THR A 34 3.732 21.181 -9.207 1.00 0.00 H new ATOM 0 HB THR A 34 3.209 22.869 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.952 23.111 -11.486 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.089 21.338 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.320 20.491 -11.553 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.595 20.294 -11.166 1.00 0.00 H new ATOM 536 N VAL A 35 4.215 23.434 -8.088 1.00 0.00 N ATOM 537 CA VAL A 35 4.498 24.580 -7.231 1.00 0.00 C ATOM 538 C VAL A 35 5.569 25.469 -7.857 1.00 0.00 C ATOM 539 O VAL A 35 6.374 25.016 -8.671 1.00 0.00 O ATOM 540 CB VAL A 35 4.899 24.125 -5.823 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.732 23.425 -5.126 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.089 23.167 -5.864 1.00 0.00 C ATOM 0 H VAL A 35 5.038 23.034 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 35 3.587 25.172 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 35 5.179 25.020 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.039 23.111 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.890 24.113 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.433 22.552 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.347 22.864 -4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.827 22.286 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.943 23.667 -6.322 1.00 0.00 H new ATOM 552 N ASP A 36 5.570 26.745 -7.467 1.00 0.00 N ATOM 553 CA ASP A 36 6.469 27.754 -8.012 1.00 0.00 C ATOM 554 C ASP A 36 7.710 27.936 -7.133 1.00 0.00 C ATOM 555 O ASP A 36 8.639 28.645 -7.514 1.00 0.00 O ATOM 556 CB ASP A 36 5.680 29.056 -8.164 1.00 0.00 C ATOM 557 CG ASP A 36 6.487 30.146 -8.866 1.00 0.00 C ATOM 558 OD1 ASP A 36 6.858 31.119 -8.178 1.00 0.00 O ATOM 559 OD2 ASP A 36 6.725 29.995 -10.086 1.00 0.00 O ATOM 0 H ASP A 36 4.937 27.107 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 36 6.839 27.435 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.768 28.862 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.375 29.410 -7.179 1.00 0.00 H new ATOM 564 N THR A 37 7.733 27.302 -5.957 1.00 0.00 N ATOM 565 CA THR A 37 8.847 27.416 -5.023 1.00 0.00 C ATOM 566 C THR A 37 8.950 26.161 -4.159 1.00 0.00 C ATOM 567 O THR A 37 7.993 25.395 -4.045 1.00 0.00 O ATOM 568 CB THR A 37 8.669 28.670 -4.163 1.00 0.00 C ATOM 569 OG1 THR A 37 9.743 28.772 -3.254 1.00 0.00 O ATOM 570 CG2 THR A 37 7.363 28.634 -3.369 1.00 0.00 C ATOM 0 H THR A 37 6.979 26.697 -5.630 1.00 0.00 H new ATOM 0 HA THR A 37 9.779 27.509 -5.581 1.00 0.00 H new ATOM 0 HB THR A 37 8.643 29.529 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.631 29.575 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.275 29.542 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.520 28.569 -4.057 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.361 27.765 -2.711 1.00 0.00 H new ATOM 578 N VAL A 38 10.116 25.948 -3.545 1.00 0.00 N ATOM 579 CA VAL A 38 10.374 24.776 -2.715 1.00 0.00 C ATOM 580 C VAL A 38 9.551 24.818 -1.430 1.00 0.00 C ATOM 581 O VAL A 38 9.309 23.775 -0.822 1.00 0.00 O ATOM 582 CB VAL A 38 11.868 24.670 -2.388 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.685 24.537 -3.676 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.362 25.887 -1.605 1.00 0.00 C ATOM 0 H VAL A 38 10.908 26.587 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 38 10.074 23.893 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 38 12.002 23.783 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.744 24.463 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.374 23.641 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.519 25.412 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.425 25.775 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.203 26.789 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.810 25.965 -0.668 1.00 0.00 H new ATOM 594 N ALA A 39 9.115 26.007 -1.005 1.00 0.00 N ATOM 595 CA ALA A 39 8.295 26.144 0.188 1.00 0.00 C ATOM 596 C ALA A 39 6.898 25.582 -0.068 1.00 0.00 C ATOM 597 O ALA A 39 6.226 25.138 0.861 1.00 0.00 O ATOM 598 CB ALA A 39 8.234 27.620 0.580 1.00 0.00 C ATOM 0 H ALA A 39 9.321 26.888 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 39 8.734 25.578 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.621 27.734 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.241 27.985 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.796 28.195 -0.236 1.00 0.00 H new ATOM 604 N GLY A 40 6.458 25.600 -1.330 1.00 0.00 N ATOM 605 CA GLY A 40 5.176 25.027 -1.708 1.00 0.00 C ATOM 606 C GLY A 40 5.281 23.510 -1.789 1.00 0.00 C ATOM 607 O GLY A 40 4.293 22.810 -1.563 1.00 0.00 O ATOM 0 H GLY A 40 6.979 26.009 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.415 25.308 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.860 25.429 -2.671 1.00 0.00 H new ATOM 611 N ALA A 41 6.469 22.989 -2.104 1.00 0.00 N ATOM 612 CA ALA A 41 6.673 21.552 -2.164 1.00 0.00 C ATOM 613 C ALA A 41 6.600 20.968 -0.756 1.00 0.00 C ATOM 614 O ALA A 41 6.123 19.851 -0.566 1.00 0.00 O ATOM 615 CB ALA A 41 8.027 21.267 -2.814 1.00 0.00 C ATOM 0 H ALA A 41 7.297 23.544 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 41 5.894 21.083 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.188 20.190 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.041 21.682 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.819 21.726 -2.222 1.00 0.00 H new ATOM 621 N LEU A 42 7.070 21.727 0.241 1.00 0.00 N ATOM 622 CA LEU A 42 7.020 21.300 1.628 1.00 0.00 C ATOM 623 C LEU A 42 5.580 21.348 2.139 1.00 0.00 C ATOM 624 O LEU A 42 5.202 20.549 2.991 1.00 0.00 O ATOM 625 CB LEU A 42 7.944 22.210 2.447 1.00 0.00 C ATOM 626 CG LEU A 42 7.984 21.830 3.931 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.488 20.401 4.127 1.00 0.00 C ATOM 628 CD2 LEU A 42 8.922 22.792 4.659 1.00 0.00 C ATOM 0 H LEU A 42 7.491 22.646 0.102 1.00 0.00 H new ATOM 0 HA LEU A 42 7.362 20.270 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.952 22.161 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.610 23.243 2.349 1.00 0.00 H new ATOM 0 HG LEU A 42 6.972 21.894 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.504 20.164 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.825 19.707 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.495 20.311 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.960 22.533 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.922 22.718 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.554 23.812 4.548 1.00 0.00 H new ATOM 640 N ALA A 43 4.771 22.277 1.620 1.00 0.00 N ATOM 641 CA ALA A 43 3.378 22.399 2.018 1.00 0.00 C ATOM 642 C ALA A 43 2.551 21.220 1.497 1.00 0.00 C ATOM 643 O ALA A 43 1.515 20.889 2.074 1.00 0.00 O ATOM 644 CB ALA A 43 2.831 23.725 1.494 1.00 0.00 C ATOM 0 H ALA A 43 5.066 22.957 0.919 1.00 0.00 H new ATOM 0 HA ALA A 43 3.310 22.382 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.786 23.828 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.409 24.548 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.908 23.746 0.407 1.00 0.00 H new ATOM 650 N ARG A 44 3.000 20.582 0.411 1.00 0.00 N ATOM 651 CA ARG A 44 2.334 19.401 -0.133 1.00 0.00 C ATOM 652 C ARG A 44 2.811 18.127 0.564 1.00 0.00 C ATOM 653 O ARG A 44 2.108 17.122 0.543 1.00 0.00 O ATOM 654 CB ARG A 44 2.590 19.320 -1.638 1.00 0.00 C ATOM 655 CG ARG A 44 1.967 20.490 -2.408 1.00 0.00 C ATOM 656 CD ARG A 44 0.439 20.451 -2.381 1.00 0.00 C ATOM 657 NE ARG A 44 -0.084 19.279 -3.095 1.00 0.00 N ATOM 658 CZ ARG A 44 -0.896 18.362 -2.565 1.00 0.00 C ATOM 659 NH1 ARG A 44 -1.293 18.447 -1.300 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.318 17.343 -3.309 1.00 0.00 N ATOM 0 H ARG A 44 3.829 20.869 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 44 1.262 19.490 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.665 19.302 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.187 18.383 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.312 21.430 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.311 20.467 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.093 20.433 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.043 21.360 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 44 0.194 19.157 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.977 19.222 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.914 17.737 -0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.021 17.264 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.939 16.641 -2.907 1.00 0.00 H new ATOM 674 N VAL A 45 3.996 18.158 1.181 1.00 0.00 N ATOM 675 CA VAL A 45 4.505 17.015 1.933 1.00 0.00 C ATOM 676 C VAL A 45 3.794 16.911 3.284 1.00 0.00 C ATOM 677 O VAL A 45 3.712 15.824 3.854 1.00 0.00 O ATOM 678 CB VAL A 45 6.028 17.142 2.083 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.588 16.136 3.088 1.00 0.00 C ATOM 680 CG2 VAL A 45 6.690 16.869 0.734 1.00 0.00 C ATOM 0 H VAL A 45 4.619 18.965 1.172 1.00 0.00 H new ATOM 0 HA VAL A 45 4.298 16.091 1.394 1.00 0.00 H new ATOM 0 HB VAL A 45 6.239 18.151 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.668 16.260 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.134 16.306 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.362 15.123 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.772 16.958 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.438 15.862 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.333 17.592 0.001 1.00 0.00 H new ATOM 690 N GLU A 46 3.278 18.029 3.800 1.00 0.00 N ATOM 691 CA GLU A 46 2.503 18.027 5.035 1.00 0.00 C ATOM 692 C GLU A 46 1.111 17.433 4.804 1.00 0.00 C ATOM 693 O GLU A 46 0.413 17.096 5.759 1.00 0.00 O ATOM 694 CB GLU A 46 2.398 19.453 5.582 1.00 0.00 C ATOM 695 CG GLU A 46 3.753 19.972 6.064 1.00 0.00 C ATOM 696 CD GLU A 46 4.279 19.154 7.241 1.00 0.00 C ATOM 697 OE1 GLU A 46 5.163 18.302 7.002 1.00 0.00 O ATOM 698 OE2 GLU A 46 3.797 19.391 8.372 1.00 0.00 O ATOM 0 H GLU A 46 3.386 18.950 3.376 1.00 0.00 H new ATOM 0 HA GLU A 46 3.014 17.403 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.010 20.113 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.685 19.476 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.470 19.935 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.660 21.017 6.359 1.00 0.00 H new ATOM 705 N ASP A 47 0.705 17.304 3.537 1.00 0.00 N ATOM 706 CA ASP A 47 -0.581 16.727 3.166 1.00 0.00 C ATOM 707 C ASP A 47 -0.436 15.245 2.813 1.00 0.00 C ATOM 708 O ASP A 47 -1.433 14.528 2.702 1.00 0.00 O ATOM 709 CB ASP A 47 -1.156 17.535 2.000 1.00 0.00 C ATOM 710 CG ASP A 47 -2.554 17.066 1.606 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.735 16.757 0.407 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.426 17.025 2.502 1.00 0.00 O ATOM 0 H ASP A 47 1.266 17.600 2.739 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.269 16.778 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.192 18.589 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.491 17.452 1.140 1.00 0.00 H new ATOM 717 N GLY A 48 0.806 14.775 2.637 1.00 0.00 N ATOM 718 CA GLY A 48 1.086 13.389 2.300 1.00 0.00 C ATOM 719 C GLY A 48 0.670 13.054 0.869 1.00 0.00 C ATOM 720 O GLY A 48 0.354 13.940 0.077 1.00 0.00 O ATOM 0 H GLY A 48 1.641 15.354 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.151 13.194 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.560 12.734 2.994 1.00 0.00 H new ATOM 724 N GLY A 49 0.676 11.758 0.541 1.00 0.00 N ATOM 725 CA GLY A 49 0.292 11.280 -0.780 1.00 0.00 C ATOM 726 C GLY A 49 1.393 11.483 -1.822 1.00 0.00 C ATOM 727 O GLY A 49 1.143 11.306 -3.010 1.00 0.00 O ATOM 0 H GLY A 49 0.948 11.016 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.044 10.220 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.609 11.801 -1.103 1.00 0.00 H new ATOM 731 N ILE A 50 2.601 11.854 -1.385 1.00 0.00 N ATOM 732 CA ILE A 50 3.739 12.080 -2.270 1.00 0.00 C ATOM 733 C ILE A 50 4.933 11.291 -1.746 1.00 0.00 C ATOM 734 O ILE A 50 5.060 11.114 -0.535 1.00 0.00 O ATOM 735 CB ILE A 50 4.042 13.586 -2.351 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.765 14.346 -2.737 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.164 13.853 -3.362 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.009 15.839 -2.935 1.00 0.00 C ATOM 0 H ILE A 50 2.814 12.006 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 50 3.514 11.735 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 50 4.380 13.938 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.358 13.923 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.013 14.204 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.366 14.923 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.066 13.326 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.858 13.500 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.073 16.328 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.389 16.271 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.739 15.986 -3.731 1.00 0.00 H new ATOM 750 N ASP A 51 5.808 10.816 -2.638 1.00 0.00 N ATOM 751 CA ASP A 51 6.958 10.025 -2.220 1.00 0.00 C ATOM 752 C ASP A 51 8.269 10.566 -2.780 1.00 0.00 C ATOM 753 O ASP A 51 9.333 10.223 -2.272 1.00 0.00 O ATOM 754 CB ASP A 51 6.760 8.580 -2.675 1.00 0.00 C ATOM 755 CG ASP A 51 7.444 7.601 -1.722 1.00 0.00 C ATOM 756 OD1 ASP A 51 8.325 6.848 -2.193 1.00 0.00 O ATOM 757 OD2 ASP A 51 7.075 7.610 -0.525 1.00 0.00 O ATOM 0 H ASP A 51 5.739 10.966 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 51 7.025 10.080 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.695 8.356 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.163 8.454 -3.680 1.00 0.00 H new ATOM 762 N ALA A 52 8.208 11.410 -3.818 1.00 0.00 N ATOM 763 CA ALA A 52 9.391 12.006 -4.417 1.00 0.00 C ATOM 764 C ALA A 52 9.022 13.283 -5.169 1.00 0.00 C ATOM 765 O ALA A 52 7.842 13.579 -5.360 1.00 0.00 O ATOM 766 CB ALA A 52 10.032 10.990 -5.362 1.00 0.00 C ATOM 0 H ALA A 52 7.334 11.694 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 52 10.102 12.273 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.921 11.427 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.312 10.098 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.321 10.719 -6.142 1.00 0.00 H new ATOM 772 N ALA A 53 10.029 14.045 -5.600 1.00 0.00 N ATOM 773 CA ALA A 53 9.806 15.285 -6.329 1.00 0.00 C ATOM 774 C ALA A 53 10.980 15.612 -7.253 1.00 0.00 C ATOM 775 O ALA A 53 12.074 15.070 -7.093 1.00 0.00 O ATOM 776 CB ALA A 53 9.604 16.420 -5.321 1.00 0.00 C ATOM 0 H ALA A 53 11.013 13.819 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 53 8.919 15.169 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.436 17.355 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.740 16.200 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.492 16.514 -4.696 1.00 0.00 H new ATOM 782 N ILE A 54 10.745 16.505 -8.221 1.00 0.00 N ATOM 783 CA ILE A 54 11.777 16.995 -9.125 1.00 0.00 C ATOM 784 C ILE A 54 12.017 18.467 -8.813 1.00 0.00 C ATOM 785 O ILE A 54 11.064 19.237 -8.719 1.00 0.00 O ATOM 786 CB ILE A 54 11.353 16.784 -10.584 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.041 15.310 -10.886 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.452 17.296 -11.519 1.00 0.00 C ATOM 789 CD1 ILE A 54 12.241 14.381 -10.685 1.00 0.00 C ATOM 0 H ILE A 54 9.824 16.908 -8.396 1.00 0.00 H new ATOM 0 HA ILE A 54 12.706 16.442 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 54 10.436 17.349 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.224 14.980 -10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.692 15.224 -11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.148 17.145 -12.555 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.616 18.359 -11.340 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.376 16.749 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.950 13.356 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.052 14.686 -11.347 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.576 14.439 -9.649 1.00 0.00 H new ATOM 801 N LEU A 55 13.284 18.856 -8.653 1.00 0.00 N ATOM 802 CA LEU A 55 13.642 20.202 -8.228 1.00 0.00 C ATOM 803 C LEU A 55 14.393 20.940 -9.330 1.00 0.00 C ATOM 804 O LEU A 55 15.403 20.451 -9.837 1.00 0.00 O ATOM 805 CB LEU A 55 14.513 20.133 -6.967 1.00 0.00 C ATOM 806 CG LEU A 55 13.761 19.919 -5.644 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.922 21.146 -5.306 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.846 18.697 -5.655 1.00 0.00 C ATOM 0 H LEU A 55 14.085 18.246 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 55 12.724 20.748 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.232 19.323 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.085 21.058 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 55 14.531 19.751 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.395 20.979 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.572 22.016 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.198 21.322 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.347 18.607 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.099 18.809 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.438 17.801 -5.842 1.00 0.00 H new ATOM 820 N ASP A 56 13.901 22.124 -9.702 1.00 0.00 N ATOM 821 CA ASP A 56 14.613 23.003 -10.615 1.00 0.00 C ATOM 822 C ASP A 56 15.675 23.793 -9.856 1.00 0.00 C ATOM 823 O ASP A 56 15.386 24.392 -8.820 1.00 0.00 O ATOM 824 CB ASP A 56 13.629 23.951 -11.303 1.00 0.00 C ATOM 825 CG ASP A 56 14.369 24.970 -12.166 1.00 0.00 C ATOM 826 OD1 ASP A 56 15.241 24.536 -12.952 1.00 0.00 O ATOM 827 OD2 ASP A 56 14.063 26.174 -12.032 1.00 0.00 O ATOM 0 H ASP A 56 13.006 22.492 -9.379 1.00 0.00 H new ATOM 0 HA ASP A 56 15.107 22.401 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.938 23.378 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.032 24.469 -10.553 1.00 0.00 H new ATOM 832 N VAL A 57 16.908 23.790 -10.369 1.00 0.00 N ATOM 833 CA VAL A 57 18.019 24.522 -9.772 1.00 0.00 C ATOM 834 C VAL A 57 18.240 25.858 -10.487 1.00 0.00 C ATOM 835 O VAL A 57 18.968 26.714 -9.991 1.00 0.00 O ATOM 836 CB VAL A 57 19.269 23.633 -9.778 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.428 24.287 -9.027 1.00 0.00 C ATOM 838 CG2 VAL A 57 18.953 22.296 -9.103 1.00 0.00 C ATOM 0 H VAL A 57 17.161 23.277 -11.213 1.00 0.00 H new ATOM 0 HA VAL A 57 17.787 24.768 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 57 19.561 23.484 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.296 23.628 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.679 25.236 -9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.137 24.464 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.843 21.666 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.640 22.473 -8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.151 21.795 -9.645 1.00 0.00 H new ATOM 848 N ASN A 58 17.617 26.040 -11.656 1.00 0.00 N ATOM 849 CA ASN A 58 17.784 27.236 -12.470 1.00 0.00 C ATOM 850 C ASN A 58 16.843 28.351 -12.005 1.00 0.00 C ATOM 851 O ASN A 58 16.233 29.049 -12.815 1.00 0.00 O ATOM 852 CB ASN A 58 17.600 26.875 -13.947 1.00 0.00 C ATOM 853 CG ASN A 58 18.076 27.985 -14.876 1.00 0.00 C ATOM 854 OD1 ASN A 58 18.696 28.953 -14.445 1.00 0.00 O ATOM 855 ND2 ASN A 58 17.787 27.851 -16.165 1.00 0.00 N ATOM 0 H ASN A 58 16.980 25.354 -12.061 1.00 0.00 H new ATOM 0 HA ASN A 58 18.794 27.627 -12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.150 25.960 -14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.547 26.669 -14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.082 28.565 -16.831 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.270 27.034 -16.489 1.00 0.00 H new ATOM 967 N THR A 66 18.606 24.395 -3.248 1.00 0.00 N ATOM 968 CA THR A 66 18.893 22.969 -3.168 1.00 0.00 C ATOM 969 C THR A 66 19.123 22.459 -1.741 1.00 0.00 C ATOM 970 O THR A 66 18.886 21.275 -1.509 1.00 0.00 O ATOM 971 CB THR A 66 20.097 22.627 -4.053 1.00 0.00 C ATOM 972 OG1 THR A 66 21.200 23.434 -3.710 1.00 0.00 O ATOM 973 CG2 THR A 66 19.761 22.864 -5.522 1.00 0.00 C ATOM 0 HA THR A 66 18.001 22.458 -3.529 1.00 0.00 H new ATOM 0 HB THR A 66 20.343 21.577 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.963 23.205 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 20.626 22.617 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.919 22.234 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.497 23.911 -5.671 1.00 0.00 H new ATOM 981 N PRO A 67 19.564 23.272 -0.763 1.00 0.00 N ATOM 982 CA PRO A 67 19.688 22.822 0.617 1.00 0.00 C ATOM 983 C PRO A 67 18.364 22.336 1.208 1.00 0.00 C ATOM 984 O PRO A 67 18.368 21.655 2.231 1.00 0.00 O ATOM 985 CB PRO A 67 20.211 24.030 1.396 1.00 0.00 C ATOM 986 CG PRO A 67 20.915 24.863 0.332 1.00 0.00 C ATOM 987 CD PRO A 67 20.018 24.647 -0.880 1.00 0.00 C ATOM 0 HA PRO A 67 20.357 21.964 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.400 24.585 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.896 23.730 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 20.977 25.915 0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 67 21.934 24.520 0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.179 25.342 -0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.564 24.806 -1.810 1.00 0.00 H new ATOM 995 N VAL A 68 17.233 22.674 0.579 1.00 0.00 N ATOM 996 CA VAL A 68 15.923 22.240 1.048 1.00 0.00 C ATOM 997 C VAL A 68 15.636 20.817 0.575 1.00 0.00 C ATOM 998 O VAL A 68 14.810 20.121 1.163 1.00 0.00 O ATOM 999 CB VAL A 68 14.852 23.226 0.560 1.00 0.00 C ATOM 1000 CG1 VAL A 68 13.469 22.846 1.087 1.00 0.00 C ATOM 1001 CG2 VAL A 68 15.175 24.634 1.066 1.00 0.00 C ATOM 0 H VAL A 68 17.205 23.251 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 68 15.908 22.231 2.138 1.00 0.00 H new ATOM 0 HB VAL A 68 14.848 23.194 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.732 23.563 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.208 21.848 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.480 22.856 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.412 25.330 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.194 24.633 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.149 24.943 0.686 1.00 0.00 H new ATOM 1011 N ALA A 69 16.315 20.368 -0.485 1.00 0.00 N ATOM 1012 CA ALA A 69 16.127 19.022 -0.994 1.00 0.00 C ATOM 1013 C ALA A 69 16.675 18.002 0.005 1.00 0.00 C ATOM 1014 O ALA A 69 16.219 16.863 0.049 1.00 0.00 O ATOM 1015 CB ALA A 69 16.836 18.906 -2.342 1.00 0.00 C ATOM 0 H ALA A 69 16.998 20.923 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 69 15.065 18.816 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.703 17.899 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.412 19.628 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.899 19.108 -2.212 1.00 0.00 H new ATOM 1021 N GLU A 70 17.655 18.411 0.815 1.00 0.00 N ATOM 1022 CA GLU A 70 18.243 17.535 1.816 1.00 0.00 C ATOM 1023 C GLU A 70 17.292 17.353 2.999 1.00 0.00 C ATOM 1024 O GLU A 70 17.429 16.390 3.752 1.00 0.00 O ATOM 1025 CB GLU A 70 19.580 18.110 2.281 1.00 0.00 C ATOM 1026 CG GLU A 70 20.562 18.191 1.110 1.00 0.00 C ATOM 1027 CD GLU A 70 21.920 18.691 1.589 1.00 0.00 C ATOM 1028 OE1 GLU A 70 22.239 19.867 1.309 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.636 17.894 2.232 1.00 0.00 O ATOM 0 H GLU A 70 18.055 19.349 0.792 1.00 0.00 H new ATOM 0 HA GLU A 70 18.416 16.555 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.428 19.102 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.997 17.485 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.671 17.209 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.170 18.860 0.344 1.00 0.00 H new ATOM 1036 N ALA A 71 16.324 18.261 3.168 1.00 0.00 N ATOM 1037 CA ALA A 71 15.311 18.106 4.196 1.00 0.00 C ATOM 1038 C ALA A 71 14.272 17.092 3.724 1.00 0.00 C ATOM 1039 O ALA A 71 13.695 16.362 4.530 1.00 0.00 O ATOM 1040 CB ALA A 71 14.673 19.465 4.486 1.00 0.00 C ATOM 0 H ALA A 71 16.228 19.105 2.604 1.00 0.00 H new ATOM 0 HA ALA A 71 15.757 17.736 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.912 19.352 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.439 20.160 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.213 19.853 3.577 1.00 0.00 H new ATOM 1046 N LEU A 72 14.030 17.034 2.409 1.00 0.00 N ATOM 1047 CA LEU A 72 13.138 16.032 1.850 1.00 0.00 C ATOM 1048 C LEU A 72 13.805 14.661 1.945 1.00 0.00 C ATOM 1049 O LEU A 72 13.130 13.664 2.196 1.00 0.00 O ATOM 1050 CB LEU A 72 12.803 16.375 0.397 1.00 0.00 C ATOM 1051 CG LEU A 72 12.091 17.724 0.263 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.803 17.990 -1.213 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.769 17.736 1.030 1.00 0.00 C ATOM 0 H LEU A 72 14.440 17.668 1.723 1.00 0.00 H new ATOM 0 HA LEU A 72 12.205 16.014 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.721 16.392 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.172 15.591 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 72 12.740 18.495 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.296 18.949 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.741 18.013 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.167 17.198 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.290 18.708 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.113 16.959 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.960 17.550 2.087 1.00 0.00 H new ATOM 1065 N ALA A 73 15.126 14.598 1.749 1.00 0.00 N ATOM 1066 CA ALA A 73 15.862 13.347 1.869 1.00 0.00 C ATOM 1067 C ALA A 73 15.941 12.902 3.333 1.00 0.00 C ATOM 1068 O ALA A 73 16.160 11.723 3.606 1.00 0.00 O ATOM 1069 CB ALA A 73 17.255 13.524 1.269 1.00 0.00 C ATOM 0 H ALA A 73 15.703 15.403 1.506 1.00 0.00 H new ATOM 0 HA ALA A 73 15.338 12.565 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.810 12.590 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.166 13.796 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.784 14.312 1.804 1.00 0.00 H new ATOM 1075 N ALA A 74 15.762 13.834 4.276 1.00 0.00 N ATOM 1076 CA ALA A 74 15.727 13.512 5.692 1.00 0.00 C ATOM 1077 C ALA A 74 14.337 13.012 6.092 1.00 0.00 C ATOM 1078 O ALA A 74 14.173 12.431 7.165 1.00 0.00 O ATOM 1079 CB ALA A 74 16.130 14.747 6.497 1.00 0.00 C ATOM 0 H ALA A 74 15.639 14.826 4.072 1.00 0.00 H new ATOM 0 HA ALA A 74 16.434 12.710 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.106 14.512 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.138 15.052 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.434 15.560 6.289 1.00 0.00 H new ATOM 1085 N ARG A 75 13.339 13.240 5.228 1.00 0.00 N ATOM 1086 CA ARG A 75 11.979 12.749 5.415 1.00 0.00 C ATOM 1087 C ARG A 75 11.678 11.570 4.486 1.00 0.00 C ATOM 1088 O ARG A 75 10.516 11.271 4.222 1.00 0.00 O ATOM 1089 CB ARG A 75 10.977 13.892 5.240 1.00 0.00 C ATOM 1090 CG ARG A 75 11.177 14.951 6.326 1.00 0.00 C ATOM 1091 CD ARG A 75 10.144 16.069 6.185 1.00 0.00 C ATOM 1092 NE ARG A 75 8.785 15.576 6.433 1.00 0.00 N ATOM 1093 CZ ARG A 75 7.721 16.369 6.589 1.00 0.00 C ATOM 1094 NH1 ARG A 75 7.839 17.691 6.513 1.00 0.00 N ATOM 1095 NH2 ARG A 75 6.524 15.845 6.821 1.00 0.00 N ATOM 0 H ARG A 75 13.461 13.778 4.370 1.00 0.00 H new ATOM 0 HA ARG A 75 11.882 12.373 6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.100 14.344 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.960 13.502 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.091 14.491 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 75 12.182 15.366 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.375 16.871 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.201 16.495 5.183 1.00 0.00 H new ATOM 0 HE ARG A 75 8.644 14.567 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.750 18.112 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.018 18.284 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.413 14.833 6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.715 16.454 6.939 1.00 0.00 H new ATOM 1109 N ASP A 76 12.726 10.901 3.993 1.00 0.00 N ATOM 1110 CA ASP A 76 12.615 9.751 3.104 1.00 0.00 C ATOM 1111 C ASP A 76 11.868 10.057 1.802 1.00 0.00 C ATOM 1112 O ASP A 76 11.138 9.209 1.289 1.00 0.00 O ATOM 1113 CB ASP A 76 12.044 8.544 3.855 1.00 0.00 C ATOM 1114 CG ASP A 76 12.877 8.210 5.089 1.00 0.00 C ATOM 1115 OD1 ASP A 76 12.373 8.448 6.211 1.00 0.00 O ATOM 1116 OD2 ASP A 76 14.013 7.721 4.902 1.00 0.00 O ATOM 0 H ASP A 76 13.691 11.152 4.208 1.00 0.00 H new ATOM 0 HA ASP A 76 13.624 9.493 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.017 8.752 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.014 7.681 3.190 1.00 0.00 H new ATOM 1121 N ILE A 77 12.050 11.269 1.271 1.00 0.00 N ATOM 1122 CA ILE A 77 11.488 11.695 -0.008 1.00 0.00 C ATOM 1123 C ILE A 77 12.644 12.041 -0.952 1.00 0.00 C ATOM 1124 O ILE A 77 13.180 13.148 -0.887 1.00 0.00 O ATOM 1125 CB ILE A 77 10.544 12.887 0.221 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.360 12.437 1.081 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.031 13.447 -1.109 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.402 13.586 1.395 1.00 0.00 C ATOM 0 H ILE A 77 12.603 11.993 1.729 1.00 0.00 H new ATOM 0 HA ILE A 77 10.899 10.900 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 77 11.098 13.675 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.818 11.646 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.732 12.012 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.366 14.289 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.875 13.782 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.487 12.670 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.579 13.217 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.936 14.367 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.007 13.995 0.465 1.00 0.00 H new ATOM 1140 N PRO A 78 13.040 11.111 -1.833 1.00 0.00 N ATOM 1141 CA PRO A 78 14.109 11.307 -2.800 1.00 0.00 C ATOM 1142 C PRO A 78 13.809 12.430 -3.787 1.00 0.00 C ATOM 1143 O PRO A 78 12.655 12.831 -3.957 1.00 0.00 O ATOM 1144 CB PRO A 78 14.258 9.970 -3.533 1.00 0.00 C ATOM 1145 CG PRO A 78 13.640 8.957 -2.573 1.00 0.00 C ATOM 1146 CD PRO A 78 12.515 9.765 -1.937 1.00 0.00 C ATOM 0 HA PRO A 78 15.027 11.605 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.740 9.980 -4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.304 9.741 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.265 8.077 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.359 8.606 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.614 9.738 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.247 9.368 -0.958 1.00 0.00 H new ATOM 1154 N PHE A 79 14.854 12.939 -4.443 1.00 0.00 N ATOM 1155 CA PHE A 79 14.731 14.022 -5.409 1.00 0.00 C ATOM 1156 C PHE A 79 15.775 13.899 -6.518 1.00 0.00 C ATOM 1157 O PHE A 79 16.692 13.083 -6.432 1.00 0.00 O ATOM 1158 CB PHE A 79 14.892 15.358 -4.686 1.00 0.00 C ATOM 1159 CG PHE A 79 16.249 15.552 -4.040 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.427 15.259 -2.680 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.328 16.027 -4.799 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.680 15.455 -2.081 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.582 16.215 -4.197 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.754 15.934 -2.837 1.00 0.00 C ATOM 0 H PHE A 79 15.810 12.608 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 79 13.746 13.965 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.721 16.167 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.122 15.439 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.601 14.883 -2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.194 16.248 -5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.816 15.235 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.414 16.576 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.716 16.087 -2.371 1.00 0.00 H new ATOM 1174 N VAL A 80 15.630 14.720 -7.566 1.00 0.00 N ATOM 1175 CA VAL A 80 16.576 14.798 -8.673 1.00 0.00 C ATOM 1176 C VAL A 80 16.706 16.265 -9.091 1.00 0.00 C ATOM 1177 O VAL A 80 15.723 17.005 -9.050 1.00 0.00 O ATOM 1178 CB VAL A 80 16.089 13.934 -9.845 1.00 0.00 C ATOM 1179 CG1 VAL A 80 17.051 14.020 -11.027 1.00 0.00 C ATOM 1180 CG2 VAL A 80 15.984 12.466 -9.431 1.00 0.00 C ATOM 0 H VAL A 80 14.839 15.356 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 80 17.551 14.419 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 80 15.109 14.314 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.682 13.399 -11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.123 15.054 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.036 13.668 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.637 11.873 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.963 12.107 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.277 12.370 -8.607 1.00 0.00 H new ATOM 1190 N PHE A 81 17.914 16.684 -9.490 1.00 0.00 N ATOM 1191 CA PHE A 81 18.157 18.059 -9.902 1.00 0.00 C ATOM 1192 C PHE A 81 17.853 18.259 -11.385 1.00 0.00 C ATOM 1193 O PHE A 81 17.891 17.312 -12.169 1.00 0.00 O ATOM 1194 CB PHE A 81 19.617 18.439 -9.645 1.00 0.00 C ATOM 1195 CG PHE A 81 20.060 18.491 -8.198 1.00 0.00 C ATOM 1196 CD1 PHE A 81 19.223 19.026 -7.206 1.00 0.00 C ATOM 1197 CD2 PHE A 81 21.331 18.009 -7.854 1.00 0.00 C ATOM 1198 CE1 PHE A 81 19.669 19.088 -5.877 1.00 0.00 C ATOM 1199 CE2 PHE A 81 21.783 18.080 -6.528 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.948 18.620 -5.540 1.00 0.00 C ATOM 0 H PHE A 81 18.737 16.082 -9.534 1.00 0.00 H new ATOM 0 HA PHE A 81 17.494 18.696 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.252 17.726 -10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.798 19.416 -10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.239 19.389 -7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 81 21.966 17.580 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 81 19.026 19.497 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.768 17.721 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.290 18.676 -4.517 1.00 0.00 H new ATOM 1210 N ALA A 82 17.556 19.504 -11.765 1.00 0.00 N ATOM 1211 CA ALA A 82 17.379 19.885 -13.157 1.00 0.00 C ATOM 1212 C ALA A 82 17.992 21.266 -13.387 1.00 0.00 C ATOM 1213 O ALA A 82 17.659 22.217 -12.682 1.00 0.00 O ATOM 1214 CB ALA A 82 15.893 19.869 -13.516 1.00 0.00 C ATOM 0 H ALA A 82 17.432 20.275 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 82 17.887 19.171 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.768 20.155 -14.560 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.493 18.867 -13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.357 20.574 -12.880 1.00 0.00 H new ATOM 1220 N THR A 83 18.891 21.376 -14.372 1.00 0.00 N ATOM 1221 CA THR A 83 19.562 22.632 -14.689 1.00 0.00 C ATOM 1222 C THR A 83 20.169 22.579 -16.090 1.00 0.00 C ATOM 1223 O THR A 83 20.306 21.503 -16.667 1.00 0.00 O ATOM 1224 CB THR A 83 20.661 22.899 -13.653 1.00 0.00 C ATOM 1225 OG1 THR A 83 21.206 24.185 -13.842 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.784 21.866 -13.737 1.00 0.00 C ATOM 0 H THR A 83 19.170 20.596 -14.968 1.00 0.00 H new ATOM 0 HA THR A 83 18.830 23.439 -14.662 1.00 0.00 H new ATOM 0 HB THR A 83 20.200 22.828 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.366 24.604 -12.971 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.542 22.091 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.378 20.871 -13.555 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.235 21.898 -14.729 1.00 0.00 H new ATOM 1234 N GLY A 84 20.537 23.740 -16.641 1.00 0.00 N ATOM 1235 CA GLY A 84 21.209 23.827 -17.926 1.00 0.00 C ATOM 1236 C GLY A 84 22.551 24.526 -17.755 1.00 0.00 C ATOM 1237 O GLY A 84 22.618 25.756 -17.766 1.00 0.00 O ATOM 0 H GLY A 84 20.373 24.645 -16.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.357 22.829 -18.338 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.589 24.376 -18.635 1.00 0.00 H new ATOM 1241 N GLY A 85 23.619 23.741 -17.601 1.00 0.00 N ATOM 1242 CA GLY A 85 24.974 24.249 -17.438 1.00 0.00 C ATOM 1243 C GLY A 85 25.815 23.290 -16.599 1.00 0.00 C ATOM 1244 O GLY A 85 25.271 22.404 -15.939 1.00 0.00 O ATOM 0 H GLY A 85 23.562 22.723 -17.586 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.436 24.385 -18.416 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.945 25.228 -16.960 1.00 0.00 H new ATOM 1248 N SER A 86 27.140 23.472 -16.629 1.00 0.00 N ATOM 1249 CA SER A 86 28.064 22.647 -15.856 1.00 0.00 C ATOM 1250 C SER A 86 29.286 23.459 -15.420 1.00 0.00 C ATOM 1251 O SER A 86 30.366 22.900 -15.237 1.00 0.00 O ATOM 1252 CB SER A 86 28.514 21.442 -16.686 1.00 0.00 C ATOM 1253 OG SER A 86 27.403 20.656 -17.076 1.00 0.00 O ATOM 0 H SER A 86 27.596 24.193 -17.188 1.00 0.00 H new ATOM 0 HA SER A 86 27.543 22.298 -14.964 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.051 21.784 -17.571 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.209 20.835 -16.106 1.00 0.00 H new ATOM 0 HG SER A 86 27.713 19.892 -17.607 1.00 0.00 H new ATOM 1259 N ASP A 87 29.128 24.777 -15.249 1.00 0.00 N ATOM 1260 CA ASP A 87 30.236 25.648 -14.881 1.00 0.00 C ATOM 1261 C ASP A 87 30.159 26.087 -13.417 1.00 0.00 C ATOM 1262 O ASP A 87 31.142 25.958 -12.687 1.00 0.00 O ATOM 1263 CB ASP A 87 30.261 26.854 -15.821 1.00 0.00 C ATOM 1264 CG ASP A 87 31.452 27.763 -15.522 1.00 0.00 C ATOM 1265 OD1 ASP A 87 32.589 27.337 -15.818 1.00 0.00 O ATOM 1266 OD2 ASP A 87 31.217 28.878 -15.004 1.00 0.00 O ATOM 0 H ASP A 87 28.237 25.260 -15.362 1.00 0.00 H new ATOM 0 HA ASP A 87 31.166 25.089 -14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.312 26.512 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 87 29.334 27.418 -15.717 1.00 0.00 H new ATOM 1271 N ASP A 88 29.002 26.604 -12.985 1.00 0.00 N ATOM 1272 CA ASP A 88 28.810 27.061 -11.614 1.00 0.00 C ATOM 1273 C ASP A 88 27.480 26.576 -11.029 1.00 0.00 C ATOM 1274 O ASP A 88 27.202 26.792 -9.851 1.00 0.00 O ATOM 1275 CB ASP A 88 28.905 28.589 -11.600 1.00 0.00 C ATOM 1276 CG ASP A 88 28.888 29.151 -10.180 1.00 0.00 C ATOM 1277 OD1 ASP A 88 29.809 28.801 -9.409 1.00 0.00 O ATOM 1278 OD2 ASP A 88 27.953 29.926 -9.872 1.00 0.00 O ATOM 0 H ASP A 88 28.179 26.715 -13.578 1.00 0.00 H new ATOM 0 HA ASP A 88 29.588 26.636 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 88 29.821 28.900 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 88 28.074 29.009 -12.166 1.00 0.00 H new ATOM 1283 N SER A 89 26.652 25.924 -11.851 1.00 0.00 N ATOM 1284 CA SER A 89 25.330 25.467 -11.443 1.00 0.00 C ATOM 1285 C SER A 89 25.370 24.070 -10.819 1.00 0.00 C ATOM 1286 O SER A 89 24.320 23.517 -10.493 1.00 0.00 O ATOM 1287 CB SER A 89 24.398 25.497 -12.654 1.00 0.00 C ATOM 1288 OG SER A 89 24.925 24.696 -13.688 1.00 0.00 O ATOM 0 H SER A 89 26.885 25.700 -12.819 1.00 0.00 H new ATOM 0 HA SER A 89 24.954 26.139 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.409 25.136 -12.371 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.275 26.522 -13.004 1.00 0.00 H new ATOM 0 HG SER A 89 24.321 24.719 -14.460 1.00 0.00 H new ATOM 1294 N VAL A 90 26.566 23.500 -10.649 1.00 0.00 N ATOM 1295 CA VAL A 90 26.737 22.157 -10.111 1.00 0.00 C ATOM 1296 C VAL A 90 27.887 22.106 -9.110 1.00 0.00 C ATOM 1297 O VAL A 90 28.815 22.914 -9.159 1.00 0.00 O ATOM 1298 CB VAL A 90 26.940 21.134 -11.236 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.668 21.029 -12.082 1.00 0.00 C ATOM 1300 CG2 VAL A 90 28.115 21.516 -12.139 1.00 0.00 C ATOM 0 H VAL A 90 27.444 23.963 -10.883 1.00 0.00 H new ATOM 0 HA VAL A 90 25.822 21.893 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 90 27.161 20.173 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 90 25.820 20.301 -12.879 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.838 20.710 -11.452 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.440 22.002 -12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 90 28.229 20.768 -12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.926 22.490 -12.590 1.00 0.00 H new ATOM 0 HG23 VAL A 90 29.029 21.562 -11.547 1.00 0.00 H new ATOM 1310 N ASP A 91 27.809 21.138 -8.193 1.00 0.00 N ATOM 1311 CA ASP A 91 28.757 20.940 -7.106 1.00 0.00 C ATOM 1312 C ASP A 91 28.873 19.440 -6.813 1.00 0.00 C ATOM 1313 O ASP A 91 28.209 18.632 -7.466 1.00 0.00 O ATOM 1314 CB ASP A 91 28.247 21.713 -5.886 1.00 0.00 C ATOM 1315 CG ASP A 91 29.213 21.649 -4.705 1.00 0.00 C ATOM 1316 OD1 ASP A 91 28.715 21.547 -3.564 1.00 0.00 O ATOM 1317 OD2 ASP A 91 30.439 21.703 -4.951 1.00 0.00 O ATOM 0 H ASP A 91 27.056 20.450 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 91 29.748 21.309 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.085 22.755 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.281 21.310 -5.583 1.00 0.00 H new ATOM 1322 N SER A 92 29.702 19.047 -5.843 1.00 0.00 N ATOM 1323 CA SER A 92 29.912 17.640 -5.517 1.00 0.00 C ATOM 1324 C SER A 92 28.607 16.930 -5.147 1.00 0.00 C ATOM 1325 O SER A 92 28.539 15.703 -5.194 1.00 0.00 O ATOM 1326 CB SER A 92 30.909 17.528 -4.363 1.00 0.00 C ATOM 1327 OG SER A 92 32.157 18.075 -4.741 1.00 0.00 O ATOM 0 H SER A 92 30.242 19.692 -5.267 1.00 0.00 H new ATOM 0 HA SER A 92 30.308 17.149 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.524 18.052 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.033 16.483 -4.080 1.00 0.00 H new ATOM 0 HG SER A 92 32.787 18.000 -3.994 1.00 0.00 H new ATOM 1333 N ARG A 93 27.565 17.684 -4.779 1.00 0.00 N ATOM 1334 CA ARG A 93 26.271 17.098 -4.444 1.00 0.00 C ATOM 1335 C ARG A 93 25.542 16.636 -5.707 1.00 0.00 C ATOM 1336 O ARG A 93 24.700 15.746 -5.644 1.00 0.00 O ATOM 1337 CB ARG A 93 25.431 18.115 -3.669 1.00 0.00 C ATOM 1338 CG ARG A 93 26.174 18.683 -2.455 1.00 0.00 C ATOM 1339 CD ARG A 93 26.703 17.590 -1.522 1.00 0.00 C ATOM 1340 NE ARG A 93 25.631 16.724 -1.020 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.801 17.053 -0.027 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.904 18.224 0.594 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.852 16.210 0.360 1.00 0.00 N ATOM 0 H ARG A 93 27.597 18.701 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 93 26.430 16.222 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 93 25.150 18.932 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 93 24.507 17.641 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 93 27.007 19.297 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 93 25.504 19.338 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 93 27.438 16.985 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 93 27.219 18.052 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 93 25.512 15.811 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.626 18.888 0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.261 18.458 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.754 15.306 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 93 23.221 16.466 1.119 1.00 0.00 H new ATOM 1357 N PHE A 94 25.874 17.243 -6.851 1.00 0.00 N ATOM 1358 CA PHE A 94 25.341 16.869 -8.153 1.00 0.00 C ATOM 1359 C PHE A 94 26.161 15.717 -8.724 1.00 0.00 C ATOM 1360 O PHE A 94 25.731 15.031 -9.648 1.00 0.00 O ATOM 1361 CB PHE A 94 25.420 18.073 -9.094 1.00 0.00 C ATOM 1362 CG PHE A 94 24.651 19.294 -8.643 1.00 0.00 C ATOM 1363 CD1 PHE A 94 25.068 20.015 -7.515 1.00 0.00 C ATOM 1364 CD2 PHE A 94 23.525 19.714 -9.365 1.00 0.00 C ATOM 1365 CE1 PHE A 94 24.358 21.155 -7.111 1.00 0.00 C ATOM 1366 CE2 PHE A 94 22.820 20.854 -8.965 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.236 21.575 -7.838 1.00 0.00 C ATOM 0 H PHE A 94 26.533 18.021 -6.892 1.00 0.00 H new ATOM 0 HA PHE A 94 24.302 16.556 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.467 18.348 -9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 94 25.051 17.772 -10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 94 25.935 19.693 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 94 23.201 19.156 -10.231 1.00 0.00 H new ATOM 0 HE1 PHE A 94 24.676 21.709 -6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 94 21.955 21.178 -9.525 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.692 22.455 -7.529 1.00 0.00 H new ATOM 1377 N ARG A 95 27.359 15.509 -8.164 1.00 0.00 N ATOM 1378 CA ARG A 95 28.224 14.391 -8.511 1.00 0.00 C ATOM 1379 C ARG A 95 27.895 13.174 -7.644 1.00 0.00 C ATOM 1380 O ARG A 95 28.372 12.074 -7.919 1.00 0.00 O ATOM 1381 CB ARG A 95 29.687 14.824 -8.349 1.00 0.00 C ATOM 1382 CG ARG A 95 29.985 16.115 -9.119 1.00 0.00 C ATOM 1383 CD ARG A 95 29.763 15.949 -10.624 1.00 0.00 C ATOM 1384 NE ARG A 95 30.634 14.910 -11.190 1.00 0.00 N ATOM 1385 CZ ARG A 95 30.579 14.495 -12.459 1.00 0.00 C ATOM 1386 NH1 ARG A 95 29.703 15.025 -13.309 1.00 0.00 N ATOM 1387 NH2 ARG A 95 31.406 13.545 -12.887 1.00 0.00 N ATOM 0 H ARG A 95 27.753 16.122 -7.451 1.00 0.00 H new ATOM 0 HA ARG A 95 28.060 14.101 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.908 14.972 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.343 14.029 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.347 16.916 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 95 31.016 16.417 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 95 28.721 15.692 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 95 29.953 16.897 -11.127 1.00 0.00 H new ATOM 0 HE ARG A 95 31.324 14.478 -10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 95 29.065 15.756 -12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 95 29.670 14.701 -14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.084 13.132 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.362 13.230 -13.856 1.00 0.00 H new ATOM 1401 N ASP A 96 27.081 13.377 -6.603 1.00 0.00 N ATOM 1402 CA ASP A 96 26.638 12.317 -5.706 1.00 0.00 C ATOM 1403 C ASP A 96 25.136 12.039 -5.851 1.00 0.00 C ATOM 1404 O ASP A 96 24.636 11.068 -5.284 1.00 0.00 O ATOM 1405 CB ASP A 96 27.002 12.709 -4.272 1.00 0.00 C ATOM 1406 CG ASP A 96 26.727 11.577 -3.286 1.00 0.00 C ATOM 1407 OD1 ASP A 96 25.884 11.791 -2.384 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.361 10.509 -3.439 1.00 0.00 O ATOM 0 H ASP A 96 26.709 14.296 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 96 27.144 11.388 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.056 12.982 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.432 13.591 -3.981 1.00 0.00 H new ATOM 1413 N ARG A 97 24.412 12.875 -6.607 1.00 0.00 N ATOM 1414 CA ARG A 97 22.984 12.694 -6.851 1.00 0.00 C ATOM 1415 C ARG A 97 22.680 12.981 -8.325 1.00 0.00 C ATOM 1416 O ARG A 97 23.242 13.926 -8.875 1.00 0.00 O ATOM 1417 CB ARG A 97 22.199 13.633 -5.922 1.00 0.00 C ATOM 1418 CG ARG A 97 20.690 13.376 -5.959 1.00 0.00 C ATOM 1419 CD ARG A 97 20.344 12.025 -5.322 1.00 0.00 C ATOM 1420 NE ARG A 97 18.943 11.679 -5.572 1.00 0.00 N ATOM 1421 CZ ARG A 97 18.431 10.453 -5.446 1.00 0.00 C ATOM 1422 NH1 ARG A 97 19.175 9.439 -5.012 1.00 0.00 N ATOM 1423 NH2 ARG A 97 17.157 10.244 -5.761 1.00 0.00 N ATOM 0 H ARG A 97 24.806 13.697 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 97 22.685 11.667 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.559 13.511 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 97 22.394 14.667 -6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 97 20.169 14.175 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 97 20.340 13.395 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.993 11.249 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.528 12.066 -4.248 1.00 0.00 H new ATOM 0 HE ARG A 97 18.314 12.428 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.154 9.592 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.767 8.509 -4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.581 11.017 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.755 9.311 -5.669 1.00 0.00 H new ATOM 1437 N PRO A 98 21.807 12.193 -8.977 1.00 0.00 N ATOM 1438 CA PRO A 98 21.482 12.337 -10.391 1.00 0.00 C ATOM 1439 C PRO A 98 21.044 13.745 -10.794 1.00 0.00 C ATOM 1440 O PRO A 98 20.542 14.522 -9.978 1.00 0.00 O ATOM 1441 CB PRO A 98 20.371 11.323 -10.665 1.00 0.00 C ATOM 1442 CG PRO A 98 20.638 10.237 -9.628 1.00 0.00 C ATOM 1443 CD PRO A 98 21.093 11.056 -8.424 1.00 0.00 C ATOM 0 HA PRO A 98 22.376 12.157 -10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.382 11.764 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.422 10.932 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.744 9.652 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.405 9.536 -9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.242 11.380 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.737 10.468 -7.770 1.00 0.00 H new ATOM 1451 N VAL A 99 21.243 14.057 -12.080 1.00 0.00 N ATOM 1452 CA VAL A 99 20.950 15.362 -12.660 1.00 0.00 C ATOM 1453 C VAL A 99 20.266 15.197 -14.013 1.00 0.00 C ATOM 1454 O VAL A 99 20.429 14.174 -14.680 1.00 0.00 O ATOM 1455 CB VAL A 99 22.232 16.189 -12.820 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.899 16.437 -11.474 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.240 15.500 -13.745 1.00 0.00 C ATOM 0 H VAL A 99 21.620 13.392 -12.756 1.00 0.00 H new ATOM 0 HA VAL A 99 20.279 15.891 -11.983 1.00 0.00 H new ATOM 0 HB VAL A 99 21.932 17.139 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.805 17.025 -11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.214 16.980 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 99 23.156 15.483 -11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.134 16.117 -13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.509 14.528 -13.331 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.795 15.364 -14.731 1.00 0.00 H new ATOM 1467 N LEU A 100 19.499 16.213 -14.415 1.00 0.00 N ATOM 1468 CA LEU A 100 18.814 16.246 -15.698 1.00 0.00 C ATOM 1469 C LEU A 100 19.033 17.608 -16.357 1.00 0.00 C ATOM 1470 O LEU A 100 19.188 18.614 -15.664 1.00 0.00 O ATOM 1471 CB LEU A 100 17.327 15.950 -15.470 1.00 0.00 C ATOM 1472 CG LEU A 100 16.524 15.822 -16.770 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.008 14.640 -17.606 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.052 15.616 -16.419 1.00 0.00 C ATOM 0 H LEU A 100 19.338 17.045 -13.847 1.00 0.00 H new ATOM 0 HA LEU A 100 19.214 15.488 -16.371 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.232 15.026 -14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.895 16.745 -14.862 1.00 0.00 H new ATOM 0 HG LEU A 100 16.660 16.732 -17.354 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.419 14.576 -18.521 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.059 14.780 -17.860 1.00 0.00 H new ATOM 0 HD13 LEU A 100 16.892 13.719 -17.035 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.469 15.523 -17.335 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.943 14.708 -15.826 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.692 16.470 -15.845 1.00 0.00 H new ATOM 1486 N GLN A 101 19.050 17.648 -17.692 1.00 0.00 N ATOM 1487 CA GLN A 101 19.222 18.891 -18.433 1.00 0.00 C ATOM 1488 C GLN A 101 17.935 19.714 -18.368 1.00 0.00 C ATOM 1489 O GLN A 101 16.868 19.176 -18.072 1.00 0.00 O ATOM 1490 CB GLN A 101 19.629 18.599 -19.882 1.00 0.00 C ATOM 1491 CG GLN A 101 21.000 17.919 -19.979 1.00 0.00 C ATOM 1492 CD GLN A 101 20.982 16.438 -19.601 1.00 0.00 C ATOM 1493 OE1 GLN A 101 19.929 15.806 -19.523 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.158 15.863 -19.360 1.00 0.00 N ATOM 0 H GLN A 101 18.945 16.823 -18.282 1.00 0.00 H new ATOM 0 HA GLN A 101 20.023 19.474 -17.978 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.877 17.961 -20.346 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.648 19.532 -20.446 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.374 18.020 -20.998 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.701 18.442 -19.329 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.017 16.409 -19.431 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.200 14.877 -19.104 1.00 0.00 H new ATOM 1503 N LYS A 102 18.017 21.022 -18.643 1.00 0.00 N ATOM 1504 CA LYS A 102 16.843 21.879 -18.551 1.00 0.00 C ATOM 1505 C LYS A 102 15.843 21.580 -19.672 1.00 0.00 C ATOM 1506 O LYS A 102 14.646 21.533 -19.399 1.00 0.00 O ATOM 1507 CB LYS A 102 17.272 23.349 -18.506 1.00 0.00 C ATOM 1508 CG LYS A 102 16.093 24.284 -18.221 1.00 0.00 C ATOM 1509 CD LYS A 102 15.452 23.986 -16.865 1.00 0.00 C ATOM 1510 CE LYS A 102 14.387 25.038 -16.554 1.00 0.00 C ATOM 1511 NZ LYS A 102 13.747 24.761 -15.258 1.00 0.00 N ATOM 0 H LYS A 102 18.873 21.498 -18.926 1.00 0.00 H new ATOM 0 HA LYS A 102 16.317 21.665 -17.621 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.033 23.481 -17.737 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.729 23.622 -19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.435 25.319 -18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.346 24.179 -19.008 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.003 22.993 -16.875 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.213 23.984 -16.085 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.841 26.029 -16.537 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.635 25.046 -17.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.221 25.601 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.092 23.960 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.476 24.526 -14.554 1.00 0.00 H new ATOM 1525 N PRO A 103 16.284 21.372 -20.926 1.00 0.00 N ATOM 1526 CA PRO A 103 15.417 20.896 -21.989 1.00 0.00 C ATOM 1527 C PRO A 103 15.041 19.440 -21.731 1.00 0.00 C ATOM 1528 O PRO A 103 15.881 18.659 -21.280 1.00 0.00 O ATOM 1529 CB PRO A 103 16.218 21.030 -23.288 1.00 0.00 C ATOM 1530 CG PRO A 103 17.395 21.930 -22.913 1.00 0.00 C ATOM 1531 CD PRO A 103 17.617 21.592 -21.445 1.00 0.00 C ATOM 0 HA PRO A 103 14.491 21.468 -22.046 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.558 20.059 -23.648 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.617 21.472 -24.083 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.277 21.716 -23.516 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.160 22.985 -23.055 1.00 0.00 H new ATOM 0 HD2 PRO A 103 18.240 20.705 -21.330 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.119 22.405 -20.921 1.00 0.00 H new ATOM 1539 N PHE A 104 13.791 19.065 -22.013 1.00 0.00 N ATOM 1540 CA PHE A 104 13.335 17.695 -21.816 1.00 0.00 C ATOM 1541 C PHE A 104 13.259 16.960 -23.151 1.00 0.00 C ATOM 1542 O PHE A 104 12.996 17.563 -24.193 1.00 0.00 O ATOM 1543 CB PHE A 104 11.990 17.675 -21.081 1.00 0.00 C ATOM 1544 CG PHE A 104 12.074 17.791 -19.570 1.00 0.00 C ATOM 1545 CD1 PHE A 104 11.028 17.287 -18.783 1.00 0.00 C ATOM 1546 CD2 PHE A 104 13.185 18.384 -18.947 1.00 0.00 C ATOM 1547 CE1 PHE A 104 11.106 17.354 -17.386 1.00 0.00 C ATOM 1548 CE2 PHE A 104 13.253 18.467 -17.550 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.214 17.947 -16.769 1.00 0.00 C ATOM 0 H PHE A 104 13.078 19.696 -22.379 1.00 0.00 H new ATOM 0 HA PHE A 104 14.058 17.171 -21.191 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.377 18.493 -21.458 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.473 16.748 -21.329 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.162 16.847 -19.255 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.991 18.778 -19.548 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.308 16.947 -16.783 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.105 18.931 -17.077 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.267 18.003 -15.692 1.00 0.00 H new ATOM 1559 N THR A 105 13.490 15.646 -23.105 1.00 0.00 N ATOM 1560 CA THR A 105 13.466 14.775 -24.271 1.00 0.00 C ATOM 1561 C THR A 105 12.778 13.466 -23.907 1.00 0.00 C ATOM 1562 O THR A 105 12.568 13.172 -22.731 1.00 0.00 O ATOM 1563 CB THR A 105 14.888 14.508 -24.771 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.630 13.856 -23.767 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.595 15.803 -25.166 1.00 0.00 C ATOM 0 H THR A 105 13.702 15.153 -22.238 1.00 0.00 H new ATOM 0 HA THR A 105 12.912 15.264 -25.072 1.00 0.00 H new ATOM 0 HB THR A 105 14.819 13.875 -25.655 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.539 13.685 -24.091 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.602 15.576 -25.516 1.00 0.00 H new ATOM 0 HG22 THR A 105 15.036 16.294 -25.963 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.652 16.465 -24.302 1.00 0.00 H new ATOM 1573 N MET A 106 12.419 12.666 -24.916 1.00 0.00 N ATOM 1574 CA MET A 106 11.678 11.437 -24.682 1.00 0.00 C ATOM 1575 C MET A 106 12.522 10.436 -23.898 1.00 0.00 C ATOM 1576 O MET A 106 11.997 9.698 -23.066 1.00 0.00 O ATOM 1577 CB MET A 106 11.243 10.830 -26.018 1.00 0.00 C ATOM 1578 CG MET A 106 10.626 11.871 -26.957 1.00 0.00 C ATOM 1579 SD MET A 106 9.326 12.911 -26.240 1.00 0.00 S ATOM 1580 CE MET A 106 8.125 11.646 -25.758 1.00 0.00 C ATOM 0 H MET A 106 12.632 12.852 -25.896 1.00 0.00 H new ATOM 0 HA MET A 106 10.793 11.673 -24.091 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.104 10.371 -26.504 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.520 10.035 -25.835 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.422 12.519 -27.323 1.00 0.00 H new ATOM 0 HG3 MET A 106 10.214 11.352 -27.822 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.128 12.086 -25.722 1.00 0.00 H new ATOM 0 HE2 MET A 106 8.138 10.836 -26.487 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.385 11.254 -24.775 1.00 0.00 H new ATOM 1590 N ASP A 107 13.830 10.409 -24.160 1.00 0.00 N ATOM 1591 CA ASP A 107 14.744 9.505 -23.476 1.00 0.00 C ATOM 1592 C ASP A 107 15.218 10.081 -22.145 1.00 0.00 C ATOM 1593 O ASP A 107 15.531 9.330 -21.225 1.00 0.00 O ATOM 1594 CB ASP A 107 15.941 9.222 -24.390 1.00 0.00 C ATOM 1595 CG ASP A 107 15.500 8.563 -25.694 1.00 0.00 C ATOM 1596 OD1 ASP A 107 15.229 7.342 -25.663 1.00 0.00 O ATOM 1597 OD2 ASP A 107 15.437 9.287 -26.713 1.00 0.00 O ATOM 0 H ASP A 107 14.280 11.012 -24.849 1.00 0.00 H new ATOM 0 HA ASP A 107 14.215 8.578 -23.255 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.462 10.154 -24.609 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.650 8.574 -23.874 1.00 0.00 H new ATOM 1602 N GLY A 108 15.272 11.412 -22.027 1.00 0.00 N ATOM 1603 CA GLY A 108 15.768 12.064 -20.826 1.00 0.00 C ATOM 1604 C GLY A 108 14.770 11.969 -19.677 1.00 0.00 C ATOM 1605 O GLY A 108 15.169 11.958 -18.514 1.00 0.00 O ATOM 0 H GLY A 108 14.974 12.057 -22.759 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.711 11.606 -20.527 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.976 13.112 -21.041 1.00 0.00 H new ATOM 1609 N VAL A 109 13.475 11.894 -19.994 1.00 0.00 N ATOM 1610 CA VAL A 109 12.435 11.783 -18.983 1.00 0.00 C ATOM 1611 C VAL A 109 12.260 10.324 -18.564 1.00 0.00 C ATOM 1612 O VAL A 109 11.898 10.053 -17.421 1.00 0.00 O ATOM 1613 CB VAL A 109 11.142 12.394 -19.532 1.00 0.00 C ATOM 1614 CG1 VAL A 109 9.959 12.162 -18.591 1.00 0.00 C ATOM 1615 CG2 VAL A 109 11.342 13.902 -19.698 1.00 0.00 C ATOM 0 H VAL A 109 13.126 11.909 -20.952 1.00 0.00 H new ATOM 0 HA VAL A 109 12.715 12.335 -18.086 1.00 0.00 H new ATOM 0 HB VAL A 109 10.920 11.915 -20.486 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.062 12.611 -19.017 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.802 11.091 -18.461 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.169 12.618 -17.624 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.428 14.349 -20.089 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.579 14.346 -18.731 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.162 14.086 -20.393 1.00 0.00 H new ATOM 1625 N ALA A 110 12.518 9.382 -19.475 1.00 0.00 N ATOM 1626 CA ALA A 110 12.460 7.966 -19.145 1.00 0.00 C ATOM 1627 C ALA A 110 13.679 7.573 -18.307 1.00 0.00 C ATOM 1628 O ALA A 110 13.609 6.635 -17.509 1.00 0.00 O ATOM 1629 CB ALA A 110 12.397 7.156 -20.440 1.00 0.00 C ATOM 0 H ALA A 110 12.768 9.579 -20.444 1.00 0.00 H new ATOM 0 HA ALA A 110 11.568 7.757 -18.554 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.353 6.093 -20.203 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.508 7.439 -21.003 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.285 7.358 -21.039 1.00 0.00 H new ATOM 1635 N LYS A 111 14.795 8.293 -18.486 1.00 0.00 N ATOM 1636 CA LYS A 111 16.011 8.063 -17.717 1.00 0.00 C ATOM 1637 C LYS A 111 15.903 8.727 -16.347 1.00 0.00 C ATOM 1638 O LYS A 111 16.573 8.307 -15.404 1.00 0.00 O ATOM 1639 CB LYS A 111 17.208 8.594 -18.513 1.00 0.00 C ATOM 1640 CG LYS A 111 18.531 8.277 -17.806 1.00 0.00 C ATOM 1641 CD LYS A 111 19.727 8.675 -18.673 1.00 0.00 C ATOM 1642 CE LYS A 111 19.721 10.180 -18.944 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.891 10.582 -19.749 1.00 0.00 N ATOM 0 H LYS A 111 14.873 9.048 -19.168 1.00 0.00 H new ATOM 0 HA LYS A 111 16.152 6.996 -17.547 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.210 8.152 -19.509 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.112 9.672 -18.643 1.00 0.00 H new ATOM 0 HG2 LYS A 111 18.575 8.807 -16.855 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.580 7.212 -17.580 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.654 8.394 -18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 111 19.696 8.130 -19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.805 10.454 -19.467 1.00 0.00 H new ATOM 0 HE3 LYS A 111 19.723 10.722 -17.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.861 11.608 -19.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 21.764 10.341 -19.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.874 10.081 -20.660 1.00 0.00 H new ATOM 1657 N ALA A 112 15.067 9.762 -16.221 1.00 0.00 N ATOM 1658 CA ALA A 112 14.868 10.430 -14.946 1.00 0.00 C ATOM 1659 C ALA A 112 14.037 9.554 -14.010 1.00 0.00 C ATOM 1660 O ALA A 112 14.229 9.590 -12.796 1.00 0.00 O ATOM 1661 CB ALA A 112 14.185 11.776 -15.195 1.00 0.00 C ATOM 0 H ALA A 112 14.521 10.150 -16.990 1.00 0.00 H new ATOM 0 HA ALA A 112 15.830 10.603 -14.464 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.030 12.287 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.815 12.390 -15.839 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.222 11.612 -15.679 1.00 0.00 H new ATOM 1667 N LEU A 113 13.116 8.761 -14.569 1.00 0.00 N ATOM 1668 CA LEU A 113 12.337 7.818 -13.783 1.00 0.00 C ATOM 1669 C LEU A 113 13.242 6.687 -13.314 1.00 0.00 C ATOM 1670 O LEU A 113 13.138 6.243 -12.173 1.00 0.00 O ATOM 1671 CB LEU A 113 11.162 7.318 -14.634 1.00 0.00 C ATOM 1672 CG LEU A 113 10.286 6.285 -13.911 1.00 0.00 C ATOM 1673 CD1 LEU A 113 8.881 6.303 -14.513 1.00 0.00 C ATOM 1674 CD2 LEU A 113 10.820 4.862 -14.078 1.00 0.00 C ATOM 0 H LEU A 113 12.897 8.759 -15.565 1.00 0.00 H new ATOM 0 HA LEU A 113 11.925 8.293 -12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.545 8.168 -14.924 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.549 6.877 -15.552 1.00 0.00 H new ATOM 0 HG LEU A 113 10.285 6.552 -12.854 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.257 5.570 -14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.447 7.296 -14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.936 6.056 -15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.169 4.165 -13.550 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.845 4.605 -15.137 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.827 4.801 -13.666 1.00 0.00 H new ATOM 1686 N ALA A 114 14.137 6.220 -14.191 1.00 0.00 N ATOM 1687 CA ALA A 114 15.042 5.130 -13.865 1.00 0.00 C ATOM 1688 C ALA A 114 16.151 5.578 -12.911 1.00 0.00 C ATOM 1689 O ALA A 114 16.776 4.737 -12.271 1.00 0.00 O ATOM 1690 CB ALA A 114 15.632 4.576 -15.162 1.00 0.00 C ATOM 0 H ALA A 114 14.249 6.587 -15.136 1.00 0.00 H new ATOM 0 HA ALA A 114 14.482 4.350 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.313 3.757 -14.931 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.828 4.210 -15.800 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.176 5.365 -15.681 1.00 0.00 H new ATOM 1696 N ALA A 115 16.400 6.887 -12.810 1.00 0.00 N ATOM 1697 CA ALA A 115 17.406 7.419 -11.903 1.00 0.00 C ATOM 1698 C ALA A 115 16.836 7.676 -10.508 1.00 0.00 C ATOM 1699 O ALA A 115 17.586 7.709 -9.532 1.00 0.00 O ATOM 1700 CB ALA A 115 17.975 8.703 -12.504 1.00 0.00 C ATOM 0 H ALA A 115 15.911 7.598 -13.353 1.00 0.00 H new ATOM 0 HA ALA A 115 18.199 6.681 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.731 9.114 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.427 8.483 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.173 9.430 -12.635 1.00 0.00 H new ATOM 1706 N LEU A 116 15.515 7.861 -10.398 1.00 0.00 N ATOM 1707 CA LEU A 116 14.870 8.139 -9.120 1.00 0.00 C ATOM 1708 C LEU A 116 14.408 6.846 -8.442 1.00 0.00 C ATOM 1709 O LEU A 116 14.701 6.616 -7.271 1.00 0.00 O ATOM 1710 CB LEU A 116 13.734 9.136 -9.374 1.00 0.00 C ATOM 1711 CG LEU A 116 13.339 9.948 -8.137 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.390 11.063 -8.572 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.622 9.107 -7.085 1.00 0.00 C ATOM 0 H LEU A 116 14.872 7.822 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 116 15.573 8.589 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.034 9.821 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.861 8.593 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 116 14.256 10.335 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.098 11.652 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.892 11.707 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.502 10.627 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.366 9.734 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.712 8.687 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.276 8.298 -6.758 1.00 0.00 H new ATOM 1725 N LEU A 117 13.681 5.997 -9.179 1.00 0.00 N ATOM 1726 CA LEU A 117 13.138 4.746 -8.657 1.00 0.00 C ATOM 1727 C LEU A 117 14.210 3.669 -8.443 1.00 0.00 C ATOM 1728 O LEU A 117 13.878 2.574 -7.986 1.00 0.00 O ATOM 1729 CB LEU A 117 12.032 4.235 -9.589 1.00 0.00 C ATOM 1730 CG LEU A 117 10.683 4.928 -9.378 1.00 0.00 C ATOM 1731 CD1 LEU A 117 10.722 6.431 -9.656 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.650 4.295 -10.308 1.00 0.00 C ATOM 0 H LEU A 117 13.454 6.164 -10.159 1.00 0.00 H new ATOM 0 HA LEU A 117 12.721 4.959 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.346 4.377 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.908 3.163 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 117 10.423 4.797 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.733 6.858 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.441 6.906 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.019 6.602 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.685 4.782 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.969 4.418 -11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.558 3.233 -10.080 1.00 0.00 H new ATOM 1744 N VAL A 118 15.478 3.953 -8.761 1.00 0.00 N ATOM 1745 CA VAL A 118 16.572 3.007 -8.568 1.00 0.00 C ATOM 1746 C VAL A 118 17.776 3.717 -7.962 1.00 0.00 C ATOM 1747 O VAL A 118 18.132 3.353 -6.819 1.00 0.00 O ATOM 1748 CB VAL A 118 16.943 2.325 -9.890 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.006 1.259 -9.633 1.00 0.00 C ATOM 1750 CG2 VAL A 118 15.724 1.646 -10.514 1.00 0.00 C ATOM 0 H VAL A 118 15.770 4.846 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 118 16.245 2.231 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 118 17.319 3.088 -10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.270 0.774 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.893 1.725 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.615 0.515 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.013 1.169 -11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.336 0.893 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.952 2.391 -10.709 1.00 0.00 H new