USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 466 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -123:sc= 1.25 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.146 (180deg=-0.922) USER MOD Single : A 14 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0275 K(o=-0.027,f=-1.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.11! C(o=-1.1!,f=-6.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0.343 K(o=0.34,f=-2!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -0.903 (180deg=-0.984) USER MOD Single : A 48 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 50 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-10!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.613 18.569 -77.544 1.00 0.00 N ATOM 2 CA GLY A 1 -13.015 18.913 -78.937 1.00 0.00 C ATOM 3 C GLY A 1 -13.476 17.652 -79.661 1.00 0.00 C ATOM 4 O GLY A 1 -12.701 16.717 -79.855 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.299 19.429 -77.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.424 18.158 -77.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.835 17.880 -77.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.817 19.651 -78.923 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.176 19.364 -79.468 1.00 0.00 H new ATOM 10 N SER A 2 -14.748 17.636 -80.059 1.00 0.00 N ATOM 11 CA SER A 2 -15.311 16.485 -80.763 1.00 0.00 C ATOM 12 C SER A 2 -16.428 16.928 -81.703 1.00 0.00 C ATOM 13 O SER A 2 -17.175 17.859 -81.398 1.00 0.00 O ATOM 14 CB SER A 2 -15.860 15.476 -79.755 1.00 0.00 C ATOM 15 OG SER A 2 -16.410 14.367 -80.453 1.00 0.00 O ATOM 0 H SER A 2 -15.404 18.402 -79.907 1.00 0.00 H new ATOM 0 HA SER A 2 -14.521 16.018 -81.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.066 15.143 -79.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.623 15.944 -79.133 1.00 0.00 H new ATOM 0 HG SER A 2 -17.349 14.252 -80.196 1.00 0.00 H new ATOM 21 N LYS A 3 -16.537 16.255 -82.843 1.00 0.00 N ATOM 22 CA LYS A 3 -17.568 16.589 -83.819 1.00 0.00 C ATOM 23 C LYS A 3 -18.954 16.413 -83.204 1.00 0.00 C ATOM 24 O LYS A 3 -19.835 17.252 -83.386 1.00 0.00 O ATOM 25 CB LYS A 3 -17.427 15.689 -85.052 1.00 0.00 C ATOM 26 CG LYS A 3 -18.483 16.064 -86.097 1.00 0.00 C ATOM 27 CD LYS A 3 -18.307 15.186 -87.337 1.00 0.00 C ATOM 28 CE LYS A 3 -19.364 15.555 -88.378 1.00 0.00 C ATOM 29 NZ LYS A 3 -19.185 14.707 -89.591 1.00 0.00 N1+ ATOM 0 H LYS A 3 -15.930 15.481 -83.113 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.446 17.630 -84.118 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.429 15.794 -85.477 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.542 14.644 -84.765 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.483 15.931 -85.683 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.386 17.116 -86.366 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.309 15.322 -87.753 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.399 14.134 -87.067 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.362 15.411 -87.965 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.277 16.609 -88.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.904 14.958 -90.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.237 14.866 -89.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.289 13.705 -89.332 1.00 0.00 H new ATOM 43 N THR A 4 -19.139 15.311 -82.475 1.00 0.00 N ATOM 44 CA THR A 4 -20.414 15.014 -81.833 1.00 0.00 C ATOM 45 C THR A 4 -20.208 14.726 -80.350 1.00 0.00 C ATOM 46 O THR A 4 -19.102 14.400 -79.919 1.00 0.00 O ATOM 47 CB THR A 4 -21.041 13.796 -82.504 1.00 0.00 C ATOM 48 OG1 THR A 4 -20.174 12.681 -82.360 1.00 0.00 O ATOM 49 CG2 THR A 4 -21.267 14.085 -83.989 1.00 0.00 C ATOM 0 H THR A 4 -18.417 14.609 -82.316 1.00 0.00 H new ATOM 0 HA THR A 4 -21.073 15.876 -81.935 1.00 0.00 H new ATOM 0 HB THR A 4 -21.999 13.575 -82.033 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.576 11.897 -82.789 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.715 13.213 -84.465 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.935 14.940 -84.096 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.313 14.308 -84.466 1.00 0.00 H new ATOM 57 N ILE A 5 -21.283 14.849 -79.571 1.00 0.00 N ATOM 58 CA ILE A 5 -21.218 14.599 -78.129 1.00 0.00 C ATOM 59 C ILE A 5 -22.473 13.870 -77.658 1.00 0.00 C ATOM 60 O ILE A 5 -23.595 14.293 -77.939 1.00 0.00 O ATOM 61 CB ILE A 5 -21.078 15.931 -77.385 1.00 0.00 C ATOM 62 CG1 ILE A 5 -20.860 15.667 -75.893 1.00 0.00 C ATOM 63 CG2 ILE A 5 -22.349 16.765 -77.574 1.00 0.00 C ATOM 64 CD1 ILE A 5 -20.383 16.952 -75.212 1.00 0.00 C ATOM 0 H ILE A 5 -22.206 15.119 -79.911 1.00 0.00 H new ATOM 0 HA ILE A 5 -20.352 13.971 -77.917 1.00 0.00 H new ATOM 0 HB ILE A 5 -20.224 16.477 -77.786 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -21.787 15.322 -75.435 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -20.123 14.875 -75.757 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -22.245 17.711 -77.043 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -22.502 16.959 -78.636 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -23.205 16.219 -77.178 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -20.228 16.765 -74.150 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -19.446 17.277 -75.664 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -21.135 17.731 -75.337 1.00 0.00 H new ATOM 76 N GLN A 6 -22.271 12.769 -76.936 1.00 0.00 N ATOM 77 CA GLN A 6 -23.377 11.965 -76.409 1.00 0.00 C ATOM 78 C GLN A 6 -23.368 12.009 -74.884 1.00 0.00 C ATOM 79 O GLN A 6 -23.720 11.032 -74.224 1.00 0.00 O ATOM 80 CB GLN A 6 -23.246 10.519 -76.891 1.00 0.00 C ATOM 81 CG GLN A 6 -23.511 10.456 -78.396 1.00 0.00 C ATOM 82 CD GLN A 6 -23.390 9.018 -78.888 1.00 0.00 C ATOM 83 OE1 GLN A 6 -23.881 8.095 -78.237 1.00 0.00 O ATOM 84 NE2 GLN A 6 -22.762 8.771 -80.004 1.00 0.00 N ATOM 0 H GLN A 6 -21.346 12.410 -76.700 1.00 0.00 H new ATOM 0 HA GLN A 6 -24.320 12.375 -76.771 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -22.248 10.140 -76.671 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -23.953 9.882 -76.360 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -24.507 10.841 -78.614 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -22.801 11.091 -78.925 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.356 9.537 -80.541 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.677 7.812 -80.340 1.00 0.00 H new ATOM 93 N GLU A 7 -22.945 13.153 -74.343 1.00 0.00 N ATOM 94 CA GLU A 7 -22.865 13.361 -72.898 1.00 0.00 C ATOM 95 C GLU A 7 -21.814 12.451 -72.269 1.00 0.00 C ATOM 96 O GLU A 7 -21.775 12.287 -71.050 1.00 0.00 O ATOM 97 CB GLU A 7 -24.227 13.117 -72.235 1.00 0.00 C ATOM 98 CG GLU A 7 -25.279 14.017 -72.886 1.00 0.00 C ATOM 99 CD GLU A 7 -26.634 13.800 -72.222 1.00 0.00 C ATOM 100 OE1 GLU A 7 -26.732 14.038 -71.030 1.00 0.00 O ATOM 101 OE2 GLU A 7 -27.554 13.397 -72.915 1.00 0.00 O1- ATOM 0 H GLU A 7 -22.649 13.959 -74.894 1.00 0.00 H new ATOM 0 HA GLU A 7 -22.572 14.398 -72.732 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -24.513 12.070 -72.341 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -24.166 13.325 -71.167 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -24.983 15.062 -72.794 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -25.348 13.798 -73.952 1.00 0.00 H new ATOM 108 N LYS A 8 -20.945 11.883 -73.101 1.00 0.00 N ATOM 109 CA LYS A 8 -19.881 11.021 -72.595 1.00 0.00 C ATOM 110 C LYS A 8 -18.919 11.833 -71.739 1.00 0.00 C ATOM 111 O LYS A 8 -18.446 11.367 -70.703 1.00 0.00 O ATOM 112 CB LYS A 8 -19.114 10.367 -73.750 1.00 0.00 C ATOM 113 CG LYS A 8 -19.989 9.296 -74.415 1.00 0.00 C ATOM 114 CD LYS A 8 -19.168 8.491 -75.432 1.00 0.00 C ATOM 115 CE LYS A 8 -18.865 9.341 -76.671 1.00 0.00 C ATOM 116 NZ LYS A 8 -18.239 8.483 -77.716 1.00 0.00 N1+ ATOM 0 H LYS A 8 -20.955 12.001 -74.114 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.335 10.236 -71.990 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.828 11.122 -74.482 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.193 9.918 -73.379 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.397 8.628 -73.656 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.836 9.767 -74.913 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.236 8.159 -74.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.717 7.595 -75.724 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.783 9.788 -77.053 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.196 10.161 -76.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.032 9.057 -78.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.355 8.077 -77.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.892 7.715 -77.972 1.00 0.00 H new ATOM 130 N GLU A 9 -18.641 13.056 -72.179 1.00 0.00 N ATOM 131 CA GLU A 9 -17.737 13.935 -71.442 1.00 0.00 C ATOM 132 C GLU A 9 -18.313 14.261 -70.068 1.00 0.00 C ATOM 133 O GLU A 9 -17.585 14.318 -69.079 1.00 0.00 O ATOM 134 CB GLU A 9 -17.496 15.234 -72.221 1.00 0.00 C ATOM 135 CG GLU A 9 -16.616 14.954 -73.444 1.00 0.00 C ATOM 136 CD GLU A 9 -16.541 16.197 -74.326 1.00 0.00 C ATOM 137 OE1 GLU A 9 -17.339 17.095 -74.117 1.00 0.00 O ATOM 138 OE2 GLU A 9 -15.689 16.230 -75.197 1.00 0.00 O1- ATOM 0 H GLU A 9 -19.024 13.459 -73.034 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.787 13.416 -71.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.448 15.660 -72.537 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.015 15.970 -71.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.615 14.664 -73.124 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.024 14.118 -74.013 1.00 0.00 H new ATOM 145 N GLN A 10 -19.622 14.473 -70.015 1.00 0.00 N ATOM 146 CA GLN A 10 -20.287 14.791 -68.755 1.00 0.00 C ATOM 147 C GLN A 10 -20.141 13.640 -67.764 1.00 0.00 C ATOM 148 O GLN A 10 -19.933 13.857 -66.570 1.00 0.00 O ATOM 149 CB GLN A 10 -21.771 15.068 -69.005 1.00 0.00 C ATOM 150 CG GLN A 10 -22.438 15.509 -67.701 1.00 0.00 C ATOM 151 CD GLN A 10 -23.898 15.867 -67.957 1.00 0.00 C ATOM 152 OE1 GLN A 10 -24.351 15.845 -69.102 1.00 0.00 O ATOM 153 NE2 GLN A 10 -24.665 16.198 -66.955 1.00 0.00 N ATOM 0 H GLN A 10 -20.242 14.431 -70.824 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.817 15.679 -68.332 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -21.884 15.843 -69.763 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -22.259 14.172 -69.390 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -22.375 14.710 -66.962 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -21.912 16.369 -67.286 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -24.287 16.215 -66.008 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -25.642 16.439 -67.119 1.00 0.00 H new ATOM 162 N GLU A 11 -20.258 12.415 -68.266 1.00 0.00 N ATOM 163 CA GLU A 11 -20.145 11.232 -67.419 1.00 0.00 C ATOM 164 C GLU A 11 -18.765 11.166 -66.769 1.00 0.00 C ATOM 165 O GLU A 11 -18.642 10.834 -65.590 1.00 0.00 O ATOM 166 CB GLU A 11 -20.389 9.971 -68.258 1.00 0.00 C ATOM 167 CG GLU A 11 -20.315 8.718 -67.376 1.00 0.00 C ATOM 168 CD GLU A 11 -21.410 8.755 -66.315 1.00 0.00 C ATOM 169 OE1 GLU A 11 -22.378 9.468 -66.516 1.00 0.00 O ATOM 170 OE2 GLU A 11 -21.264 8.068 -65.317 1.00 0.00 O1- ATOM 0 H GLU A 11 -20.430 12.215 -69.251 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.895 11.293 -66.630 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.366 10.029 -68.737 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.647 9.907 -69.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.424 7.825 -67.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.337 8.658 -66.898 1.00 0.00 H new ATOM 177 N LEU A 12 -17.727 11.479 -67.542 1.00 0.00 N ATOM 178 CA LEU A 12 -16.354 11.448 -67.029 1.00 0.00 C ATOM 179 C LEU A 12 -15.921 12.837 -66.570 1.00 0.00 C ATOM 180 O LEU A 12 -16.243 13.841 -67.204 1.00 0.00 O ATOM 181 CB LEU A 12 -15.399 10.955 -68.121 1.00 0.00 C ATOM 182 CG LEU A 12 -15.811 9.552 -68.594 1.00 0.00 C ATOM 183 CD1 LEU A 12 -14.879 9.115 -69.730 1.00 0.00 C ATOM 184 CD2 LEU A 12 -15.711 8.550 -67.430 1.00 0.00 C ATOM 0 H LEU A 12 -17.807 11.756 -68.520 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.321 10.767 -66.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.409 11.648 -68.963 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.379 10.933 -67.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.842 9.577 -68.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.164 8.120 -70.072 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.959 9.820 -70.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.851 9.094 -69.369 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.005 7.559 -67.776 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.684 8.517 -67.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.373 8.863 -66.622 1.00 0.00 H new ATOM 196 N LYS A 13 -15.187 12.885 -65.459 1.00 0.00 N ATOM 197 CA LYS A 13 -14.706 14.155 -64.906 1.00 0.00 C ATOM 198 C LYS A 13 -13.203 14.089 -64.649 1.00 0.00 C ATOM 199 O LYS A 13 -12.663 13.027 -64.339 1.00 0.00 O ATOM 200 CB LYS A 13 -15.433 14.462 -63.598 1.00 0.00 C ATOM 201 CG LYS A 13 -16.933 14.628 -63.877 1.00 0.00 C ATOM 202 CD LYS A 13 -17.658 15.181 -62.641 1.00 0.00 C ATOM 203 CE LYS A 13 -17.736 14.119 -61.536 1.00 0.00 C ATOM 204 NZ LYS A 13 -18.434 12.910 -62.057 1.00 0.00 N1+ ATOM 0 H LYS A 13 -14.912 12.062 -64.923 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.908 14.946 -65.629 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.272 13.657 -62.882 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.032 15.371 -63.151 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.078 15.302 -64.722 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.364 13.667 -64.158 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.134 16.061 -62.269 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.663 15.501 -62.916 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.734 13.856 -61.198 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.269 14.516 -60.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.860 12.387 -61.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.179 13.199 -62.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.750 12.299 -62.547 1.00 0.00 H new ATOM 218 N ASN A 14 -12.535 15.230 -64.780 1.00 0.00 N ATOM 219 CA ASN A 14 -11.095 15.289 -64.558 1.00 0.00 C ATOM 220 C ASN A 14 -10.755 14.882 -63.128 1.00 0.00 C ATOM 221 O ASN A 14 -9.791 14.155 -62.891 1.00 0.00 O ATOM 222 CB ASN A 14 -10.584 16.706 -64.822 1.00 0.00 C ATOM 223 CG ASN A 14 -9.065 16.746 -64.689 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.465 15.826 -64.133 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.403 17.764 -65.167 1.00 0.00 N ATOM 0 H ASN A 14 -12.963 16.120 -65.037 1.00 0.00 H new ATOM 0 HA ASN A 14 -10.612 14.594 -65.245 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.878 17.027 -65.821 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.038 17.402 -64.117 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.387 17.798 -65.080 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.901 18.526 -65.627 1.00 0.00 H new ATOM 232 N LEU A 15 -11.558 15.357 -62.175 1.00 0.00 N ATOM 233 CA LEU A 15 -11.342 15.042 -60.760 1.00 0.00 C ATOM 234 C LEU A 15 -12.323 13.962 -60.309 1.00 0.00 C ATOM 235 O LEU A 15 -13.538 14.130 -60.414 1.00 0.00 O ATOM 236 CB LEU A 15 -11.535 16.310 -59.917 1.00 0.00 C ATOM 237 CG LEU A 15 -11.355 16.003 -58.421 1.00 0.00 C ATOM 238 CD1 LEU A 15 -9.941 15.460 -58.158 1.00 0.00 C ATOM 239 CD2 LEU A 15 -11.564 17.296 -57.623 1.00 0.00 C ATOM 0 H LEU A 15 -12.361 15.959 -62.355 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.326 14.671 -60.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.818 17.070 -60.226 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -12.530 16.721 -60.092 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.082 15.251 -58.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.825 15.246 -57.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.790 14.545 -58.731 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.204 16.203 -58.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.439 17.092 -56.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.832 18.040 -57.938 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.569 17.676 -57.804 1.00 0.00 H new ATOM 251 N LYS A 16 -11.785 12.851 -59.807 1.00 0.00 N ATOM 252 CA LYS A 16 -12.611 11.736 -59.336 1.00 0.00 C ATOM 253 C LYS A 16 -12.194 11.319 -57.930 1.00 0.00 C ATOM 254 O LYS A 16 -11.024 11.427 -57.561 1.00 0.00 O ATOM 255 CB LYS A 16 -12.463 10.544 -60.285 1.00 0.00 C ATOM 256 CG LYS A 16 -12.975 10.937 -61.675 1.00 0.00 C ATOM 257 CD LYS A 16 -13.047 9.704 -62.588 1.00 0.00 C ATOM 258 CE LYS A 16 -11.639 9.241 -62.975 1.00 0.00 C ATOM 259 NZ LYS A 16 -11.740 8.165 -64.002 1.00 0.00 N1+ ATOM 0 H LYS A 16 -10.781 12.698 -59.715 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.651 12.061 -59.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.418 10.238 -60.343 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.025 9.690 -59.906 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.961 11.393 -61.591 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.315 11.685 -62.115 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.575 8.897 -62.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.618 9.942 -63.486 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.062 10.079 -63.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.110 8.872 -62.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.786 7.848 -64.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.276 7.363 -63.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.229 8.533 -64.843 1.00 0.00 H new ATOM 273 N ASP A 17 -13.159 10.842 -57.148 1.00 0.00 N ATOM 274 CA ASP A 17 -12.884 10.410 -55.779 1.00 0.00 C ATOM 275 C ASP A 17 -12.413 8.959 -55.760 1.00 0.00 C ATOM 276 O ASP A 17 -12.182 8.385 -54.696 1.00 0.00 O ATOM 277 CB ASP A 17 -14.147 10.551 -54.925 1.00 0.00 C ATOM 278 CG ASP A 17 -15.225 9.592 -55.420 1.00 0.00 C ATOM 279 OD1 ASP A 17 -14.959 8.866 -56.364 1.00 0.00 O ATOM 280 OD2 ASP A 17 -16.302 9.598 -54.847 1.00 0.00 O1- ATOM 0 H ASP A 17 -14.133 10.745 -57.436 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.095 11.041 -55.369 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.915 10.341 -53.881 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.513 11.577 -54.970 1.00 0.00 H new ATOM 285 N ASN A 18 -12.277 8.370 -56.944 1.00 0.00 N ATOM 286 CA ASN A 18 -11.832 6.986 -57.052 1.00 0.00 C ATOM 287 C ASN A 18 -10.436 6.822 -56.461 1.00 0.00 C ATOM 288 O ASN A 18 -10.151 5.838 -55.779 1.00 0.00 O ATOM 289 CB ASN A 18 -11.821 6.554 -58.520 1.00 0.00 C ATOM 290 CG ASN A 18 -11.608 5.049 -58.619 1.00 0.00 C ATOM 291 OD1 ASN A 18 -12.082 4.296 -57.768 1.00 0.00 O ATOM 292 ND2 ASN A 18 -10.919 4.560 -59.613 1.00 0.00 N ATOM 0 H ASN A 18 -12.467 8.826 -57.836 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.525 6.358 -56.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.763 6.828 -58.995 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.029 7.078 -59.056 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.773 3.553 -59.686 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.527 5.185 -60.318 1.00 0.00 H new ATOM 299 N VAL A 19 -9.569 7.795 -56.728 1.00 0.00 N ATOM 300 CA VAL A 19 -8.204 7.748 -56.218 1.00 0.00 C ATOM 301 C VAL A 19 -8.209 7.749 -54.692 1.00 0.00 C ATOM 302 O VAL A 19 -7.487 6.977 -54.058 1.00 0.00 O ATOM 303 CB VAL A 19 -7.415 8.956 -56.740 1.00 0.00 C ATOM 304 CG1 VAL A 19 -6.053 9.030 -56.043 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.206 8.810 -58.248 1.00 0.00 C ATOM 0 H VAL A 19 -9.786 8.618 -57.290 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.728 6.831 -56.565 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.974 9.868 -56.531 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.498 9.890 -56.419 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.200 9.134 -54.968 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.490 8.119 -56.246 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.646 9.667 -58.622 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.649 7.895 -58.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.174 8.764 -58.747 1.00 0.00 H new ATOM 315 N GLU A 20 -9.029 8.614 -54.105 1.00 0.00 N ATOM 316 CA GLU A 20 -9.121 8.699 -52.650 1.00 0.00 C ATOM 317 C GLU A 20 -9.647 7.390 -52.069 1.00 0.00 C ATOM 318 O GLU A 20 -9.176 6.927 -51.030 1.00 0.00 O ATOM 319 CB GLU A 20 -10.039 9.853 -52.236 1.00 0.00 C ATOM 320 CG GLU A 20 -9.352 11.195 -52.513 1.00 0.00 C ATOM 321 CD GLU A 20 -10.337 12.337 -52.291 1.00 0.00 C ATOM 322 OE1 GLU A 20 -11.522 12.063 -52.196 1.00 0.00 O ATOM 323 OE2 GLU A 20 -9.891 13.471 -52.221 1.00 0.00 O1- ATOM 0 H GLU A 20 -9.635 9.262 -54.608 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.121 8.884 -52.258 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.979 9.796 -52.785 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.283 9.772 -51.177 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.490 11.314 -51.857 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.979 11.218 -53.537 1.00 0.00 H new ATOM 330 N LEU A 21 -10.619 6.794 -52.751 1.00 0.00 N ATOM 331 CA LEU A 21 -11.195 5.533 -52.294 1.00 0.00 C ATOM 332 C LEU A 21 -10.140 4.430 -52.313 1.00 0.00 C ATOM 333 O LEU A 21 -10.087 3.593 -51.411 1.00 0.00 O ATOM 334 CB LEU A 21 -12.377 5.127 -53.185 1.00 0.00 C ATOM 335 CG LEU A 21 -13.578 6.061 -52.953 1.00 0.00 C ATOM 336 CD1 LEU A 21 -14.640 5.778 -54.020 1.00 0.00 C ATOM 337 CD2 LEU A 21 -14.180 5.829 -51.549 1.00 0.00 C ATOM 0 H LEU A 21 -11.022 7.159 -53.614 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.551 5.672 -51.273 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.079 5.163 -54.233 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.664 4.097 -52.971 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.245 7.097 -53.020 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.496 6.435 -53.865 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.219 5.958 -55.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.962 4.739 -53.946 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.028 6.498 -51.402 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.514 4.795 -51.463 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.423 6.031 -50.791 1.00 0.00 H new ATOM 349 N GLU A 22 -9.303 4.437 -53.345 1.00 0.00 N ATOM 350 CA GLU A 22 -8.252 3.432 -53.472 1.00 0.00 C ATOM 351 C GLU A 22 -7.285 3.523 -52.297 1.00 0.00 C ATOM 352 O GLU A 22 -6.865 2.508 -51.749 1.00 0.00 O ATOM 353 CB GLU A 22 -7.492 3.639 -54.786 1.00 0.00 C ATOM 354 CG GLU A 22 -6.431 2.547 -54.948 1.00 0.00 C ATOM 355 CD GLU A 22 -5.721 2.705 -56.287 1.00 0.00 C ATOM 356 OE1 GLU A 22 -6.064 3.625 -57.012 1.00 0.00 O ATOM 357 OE2 GLU A 22 -4.845 1.904 -56.570 1.00 0.00 O1- ATOM 0 H GLU A 22 -9.330 5.122 -54.101 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.711 2.443 -53.472 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.186 3.612 -55.626 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.020 4.622 -54.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.708 2.607 -54.134 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.897 1.564 -54.888 1.00 0.00 H new ATOM 364 N ARG A 23 -6.936 4.748 -51.918 1.00 0.00 N ATOM 365 CA ARG A 23 -6.016 4.966 -50.807 1.00 0.00 C ATOM 366 C ARG A 23 -6.606 4.445 -49.497 1.00 0.00 C ATOM 367 O ARG A 23 -5.888 3.908 -48.652 1.00 0.00 O ATOM 368 CB ARG A 23 -5.709 6.458 -50.671 1.00 0.00 C ATOM 369 CG ARG A 23 -4.861 6.916 -51.858 1.00 0.00 C ATOM 370 CD ARG A 23 -4.681 8.434 -51.801 1.00 0.00 C ATOM 371 NE ARG A 23 -3.952 8.810 -50.595 1.00 0.00 N ATOM 372 CZ ARG A 23 -3.823 10.085 -50.242 1.00 0.00 C ATOM 373 NH1 ARG A 23 -3.166 10.397 -49.157 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 -4.350 11.024 -50.978 1.00 0.00 N ATOM 0 H ARG A 23 -7.275 5.602 -52.362 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.096 4.419 -51.015 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.637 7.029 -50.632 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.179 6.647 -49.738 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.889 6.423 -51.836 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.342 6.631 -52.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.140 8.777 -52.683 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.655 8.924 -51.814 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.535 8.083 -50.013 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.753 9.663 -48.582 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.066 11.375 -48.885 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.862 10.780 -51.826 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.250 12.002 -50.706 1.00 0.00 H new ATOM 388 N LEU A 24 -7.910 4.627 -49.330 1.00 0.00 N ATOM 389 CA LEU A 24 -8.592 4.194 -48.113 1.00 0.00 C ATOM 390 C LEU A 24 -8.453 2.685 -47.904 1.00 0.00 C ATOM 391 O LEU A 24 -8.232 2.231 -46.782 1.00 0.00 O ATOM 392 CB LEU A 24 -10.076 4.578 -48.194 1.00 0.00 C ATOM 393 CG LEU A 24 -10.824 4.133 -46.925 1.00 0.00 C ATOM 394 CD1 LEU A 24 -10.217 4.811 -45.684 1.00 0.00 C ATOM 395 CD2 LEU A 24 -12.298 4.531 -47.057 1.00 0.00 C ATOM 0 H LEU A 24 -8.517 5.070 -50.019 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.128 4.693 -47.263 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.171 5.657 -48.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.529 4.115 -49.070 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.735 3.053 -46.811 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.755 4.488 -44.793 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.167 4.533 -45.595 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.298 5.893 -45.784 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.840 4.221 -46.164 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.374 5.612 -47.171 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.730 4.043 -47.931 1.00 0.00 H new ATOM 407 N LYS A 25 -8.601 1.915 -48.978 1.00 0.00 N ATOM 408 CA LYS A 25 -8.506 0.458 -48.883 1.00 0.00 C ATOM 409 C LYS A 25 -9.535 -0.067 -47.881 1.00 0.00 C ATOM 410 O LYS A 25 -10.099 0.697 -47.098 1.00 0.00 O ATOM 411 CB LYS A 25 -7.081 0.041 -48.445 1.00 0.00 C ATOM 412 CG LYS A 25 -6.148 -0.077 -49.665 1.00 0.00 C ATOM 413 CD LYS A 25 -6.300 -1.457 -50.321 1.00 0.00 C ATOM 414 CE LYS A 25 -5.297 -1.584 -51.469 1.00 0.00 C ATOM 415 NZ LYS A 25 -5.435 -2.926 -52.103 1.00 0.00 N1+ ATOM 0 H LYS A 25 -8.785 2.269 -49.917 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.711 0.028 -49.863 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.681 0.775 -47.745 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.122 -0.913 -47.919 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.383 0.705 -50.388 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.114 0.074 -49.356 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.130 -2.243 -49.585 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.316 -1.585 -50.695 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.472 -0.801 -52.207 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.282 -1.449 -51.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.753 -3.013 -52.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.248 -3.665 -51.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.401 -3.038 -52.473 1.00 0.00 H new ATOM 429 N ASN A 26 -9.773 -1.376 -47.913 1.00 0.00 N ATOM 430 CA ASN A 26 -10.736 -1.998 -47.007 1.00 0.00 C ATOM 431 C ASN A 26 -10.059 -2.396 -45.697 1.00 0.00 C ATOM 432 O ASN A 26 -9.277 -3.344 -45.656 1.00 0.00 O ATOM 433 CB ASN A 26 -11.343 -3.239 -47.663 1.00 0.00 C ATOM 434 CG ASN A 26 -12.413 -3.839 -46.757 1.00 0.00 C ATOM 435 OD1 ASN A 26 -12.499 -3.488 -45.581 1.00 0.00 O ATOM 436 ND2 ASN A 26 -13.240 -4.726 -47.237 1.00 0.00 N ATOM 0 H ASN A 26 -9.315 -2.024 -48.553 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.524 -1.276 -46.793 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.778 -2.975 -48.627 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.564 -3.976 -47.856 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -13.959 -5.130 -46.637 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.167 -5.016 -48.212 1.00 0.00 H new ATOM 443 N GLU A 27 -10.367 -1.664 -44.632 1.00 0.00 N ATOM 444 CA GLU A 27 -9.781 -1.949 -43.327 1.00 0.00 C ATOM 445 C GLU A 27 -10.173 -3.349 -42.863 1.00 0.00 C ATOM 446 O GLU A 27 -11.341 -3.731 -42.928 1.00 0.00 O ATOM 447 CB GLU A 27 -10.257 -0.914 -42.303 1.00 0.00 C ATOM 448 CG GLU A 27 -9.563 -1.158 -40.961 1.00 0.00 C ATOM 449 CD GLU A 27 -9.985 -0.092 -39.957 1.00 0.00 C ATOM 450 OE1 GLU A 27 -10.775 0.760 -40.323 1.00 0.00 O ATOM 451 OE2 GLU A 27 -9.512 -0.146 -38.833 1.00 0.00 O1- ATOM 0 H GLU A 27 -11.014 -0.875 -44.645 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.696 -1.897 -43.414 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.037 0.092 -42.659 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.338 -0.979 -42.181 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.820 -2.148 -40.583 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.481 -1.138 -41.092 1.00 0.00 H new ATOM 458 N ARG A 28 -9.187 -4.109 -42.397 1.00 0.00 N ATOM 459 CA ARG A 28 -9.440 -5.466 -41.928 1.00 0.00 C ATOM 460 C ARG A 28 -10.404 -5.460 -40.742 1.00 0.00 C ATOM 461 O ARG A 28 -10.243 -4.686 -39.800 1.00 0.00 O ATOM 462 CB ARG A 28 -8.118 -6.130 -41.524 1.00 0.00 C ATOM 463 CG ARG A 28 -7.324 -5.189 -40.612 1.00 0.00 C ATOM 464 CD ARG A 28 -6.038 -5.883 -40.156 1.00 0.00 C ATOM 465 NE ARG A 28 -6.352 -6.982 -39.252 1.00 0.00 N ATOM 466 CZ ARG A 28 -5.401 -7.797 -38.806 1.00 0.00 C ATOM 467 NH1 ARG A 28 -5.706 -8.771 -37.994 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 -4.165 -7.623 -39.181 1.00 0.00 N ATOM 0 H ARG A 28 -8.213 -3.811 -42.334 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.897 -6.033 -42.739 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.315 -7.070 -41.009 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.534 -6.369 -42.413 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.084 -4.268 -41.143 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.926 -4.911 -39.747 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.493 -6.259 -41.022 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.387 -5.166 -39.656 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.317 -7.128 -38.957 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.674 -8.907 -37.702 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.977 -9.397 -37.651 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.927 -6.862 -39.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.435 -8.248 -38.839 1.00 0.00 H new ATOM 482 N HIS A 29 -11.409 -6.329 -40.803 1.00 0.00 N ATOM 483 CA HIS A 29 -12.397 -6.418 -39.733 1.00 0.00 C ATOM 484 C HIS A 29 -11.821 -7.141 -38.520 1.00 0.00 C ATOM 485 O HIS A 29 -12.390 -7.091 -37.430 1.00 0.00 O ATOM 486 CB HIS A 29 -13.638 -7.162 -40.231 1.00 0.00 C ATOM 487 CG HIS A 29 -13.271 -8.580 -40.568 1.00 0.00 C ATOM 488 ND1 HIS A 29 -12.618 -8.917 -41.744 1.00 0.00 N ATOM 489 CD2 HIS A 29 -13.456 -9.762 -39.893 1.00 0.00 C ATOM 490 CE1 HIS A 29 -12.436 -10.249 -41.742 1.00 0.00 C ATOM 491 NE2 HIS A 29 -12.929 -10.814 -40.636 1.00 0.00 N ATOM 0 H HIS A 29 -11.560 -6.977 -41.576 1.00 0.00 H new ATOM 0 HA HIS A 29 -12.671 -5.406 -39.436 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -14.415 -7.148 -39.466 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.047 -6.662 -41.109 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.938 -9.860 -38.931 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.951 -10.796 -42.537 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.921 -11.804 -40.389 1.00 0.00 H new ATOM 499 N ASP A 30 -10.694 -7.816 -38.716 1.00 0.00 N ATOM 500 CA ASP A 30 -10.055 -8.549 -37.628 1.00 0.00 C ATOM 501 C ASP A 30 -9.643 -7.600 -36.508 1.00 0.00 C ATOM 502 O ASP A 30 -9.774 -7.924 -35.327 1.00 0.00 O ATOM 503 CB ASP A 30 -8.827 -9.297 -38.149 1.00 0.00 C ATOM 504 CG ASP A 30 -9.262 -10.471 -39.020 1.00 0.00 C ATOM 505 OD1 ASP A 30 -10.435 -10.806 -38.989 1.00 0.00 O ATOM 506 OD2 ASP A 30 -8.416 -11.018 -39.708 1.00 0.00 O1- ATOM 0 H ASP A 30 -10.207 -7.871 -39.610 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.773 -9.267 -37.231 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.196 -8.620 -38.725 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.228 -9.657 -37.312 1.00 0.00 H new ATOM 511 N HIS A 31 -9.142 -6.424 -36.884 1.00 0.00 N ATOM 512 CA HIS A 31 -8.709 -5.425 -35.905 1.00 0.00 C ATOM 513 C HIS A 31 -9.783 -4.358 -35.719 1.00 0.00 C ATOM 514 O HIS A 31 -10.125 -3.638 -36.658 1.00 0.00 O ATOM 515 CB HIS A 31 -7.413 -4.765 -36.376 1.00 0.00 C ATOM 516 CG HIS A 31 -6.989 -3.721 -35.381 1.00 0.00 C ATOM 517 ND1 HIS A 31 -6.479 -4.052 -34.134 1.00 0.00 N ATOM 518 CD2 HIS A 31 -6.996 -2.349 -35.430 1.00 0.00 C ATOM 519 CE1 HIS A 31 -6.201 -2.904 -33.492 1.00 0.00 C ATOM 520 NE2 HIS A 31 -6.498 -1.835 -34.235 1.00 0.00 N ATOM 0 H HIS A 31 -9.026 -6.139 -37.856 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.539 -5.926 -34.952 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.630 -5.515 -36.487 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.560 -4.310 -37.356 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.336 -1.758 -36.268 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.787 -2.853 -32.496 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.385 -0.853 -33.982 1.00 0.00 H new ATOM 528 N ASP A 32 -10.312 -4.263 -34.500 1.00 0.00 N ATOM 529 CA ASP A 32 -11.352 -3.280 -34.191 1.00 0.00 C ATOM 530 C ASP A 32 -11.156 -2.734 -32.778 1.00 0.00 C ATOM 531 O ASP A 32 -11.303 -3.459 -31.795 1.00 0.00 O ATOM 532 CB ASP A 32 -12.732 -3.927 -34.308 1.00 0.00 C ATOM 533 CG ASP A 32 -13.821 -2.875 -34.124 1.00 0.00 C ATOM 534 OD1 ASP A 32 -13.485 -1.765 -33.744 1.00 0.00 O ATOM 535 OD2 ASP A 32 -14.972 -3.193 -34.362 1.00 0.00 O1- ATOM 0 H ASP A 32 -10.040 -4.851 -33.713 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.280 -2.457 -34.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.837 -4.404 -35.282 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.840 -4.709 -33.557 1.00 0.00 H new ATOM 540 N GLU A 33 -10.813 -1.452 -32.689 1.00 0.00 N ATOM 541 CA GLU A 33 -10.587 -0.815 -31.394 1.00 0.00 C ATOM 542 C GLU A 33 -11.854 -0.858 -30.546 1.00 0.00 C ATOM 543 O GLU A 33 -11.793 -1.088 -29.339 1.00 0.00 O ATOM 544 CB GLU A 33 -10.147 0.640 -31.608 1.00 0.00 C ATOM 545 CG GLU A 33 -9.857 1.314 -30.259 1.00 0.00 C ATOM 546 CD GLU A 33 -8.699 0.611 -29.558 1.00 0.00 C ATOM 547 OE1 GLU A 33 -7.939 -0.058 -30.238 1.00 0.00 O ATOM 548 OE2 GLU A 33 -8.589 0.753 -28.352 1.00 0.00 O1- ATOM 0 H GLU A 33 -10.686 -0.837 -33.492 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.803 -1.358 -30.867 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.256 0.669 -32.235 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.927 1.189 -32.136 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.614 2.365 -30.414 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.746 1.282 -29.629 1.00 0.00 H new ATOM 555 N GLU A 34 -12.998 -0.625 -31.182 1.00 0.00 N ATOM 556 CA GLU A 34 -14.279 -0.632 -30.478 1.00 0.00 C ATOM 557 C GLU A 34 -14.272 0.391 -29.344 1.00 0.00 C ATOM 558 O GLU A 34 -14.884 0.173 -28.298 1.00 0.00 O ATOM 559 CB GLU A 34 -14.561 -2.024 -29.903 1.00 0.00 C ATOM 560 CG GLU A 34 -14.610 -3.048 -31.038 1.00 0.00 C ATOM 561 CD GLU A 34 -14.917 -4.433 -30.477 1.00 0.00 C ATOM 562 OE1 GLU A 34 -15.007 -4.553 -29.267 1.00 0.00 O ATOM 563 OE2 GLU A 34 -15.059 -5.351 -31.267 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.066 -0.429 -32.181 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.060 -0.370 -31.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.786 -2.297 -29.187 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.507 -2.020 -29.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.372 -2.763 -31.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.657 -3.064 -31.566 1.00 0.00 H new ATOM 570 N ALA A 35 -13.580 1.508 -29.557 1.00 0.00 N ATOM 571 CA ALA A 35 -13.508 2.555 -28.544 1.00 0.00 C ATOM 572 C ALA A 35 -14.898 3.108 -28.242 1.00 0.00 C ATOM 573 O ALA A 35 -15.230 3.388 -27.089 1.00 0.00 O ATOM 574 CB ALA A 35 -12.599 3.688 -29.025 1.00 0.00 C ATOM 0 H ALA A 35 -13.066 1.709 -30.415 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.096 2.122 -27.632 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.551 4.465 -28.262 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.598 3.298 -29.209 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.999 4.109 -29.947 1.00 0.00 H new ATOM 580 N GLU A 36 -15.706 3.263 -29.286 1.00 0.00 N ATOM 581 CA GLU A 36 -17.060 3.783 -29.122 1.00 0.00 C ATOM 582 C GLU A 36 -17.901 2.845 -28.261 1.00 0.00 C ATOM 583 O GLU A 36 -18.697 3.294 -27.436 1.00 0.00 O ATOM 584 CB GLU A 36 -17.731 3.969 -30.488 1.00 0.00 C ATOM 585 CG GLU A 36 -17.104 5.158 -31.223 1.00 0.00 C ATOM 586 CD GLU A 36 -17.626 5.217 -32.654 1.00 0.00 C ATOM 587 OE1 GLU A 36 -18.212 4.240 -33.090 1.00 0.00 O ATOM 588 OE2 GLU A 36 -17.434 6.239 -33.293 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.450 3.038 -30.247 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.990 4.749 -28.623 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.619 3.063 -31.084 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -18.800 4.135 -30.357 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.341 6.085 -30.702 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.018 5.063 -31.226 1.00 0.00 H new ATOM 595 N ARG A 37 -17.722 1.544 -28.460 1.00 0.00 N ATOM 596 CA ARG A 37 -18.476 0.556 -27.695 1.00 0.00 C ATOM 597 C ARG A 37 -18.188 0.709 -26.206 1.00 0.00 C ATOM 598 O ARG A 37 -19.100 0.668 -25.381 1.00 0.00 O ATOM 599 CB ARG A 37 -18.103 -0.860 -28.162 1.00 0.00 C ATOM 600 CG ARG A 37 -18.998 -1.924 -27.475 1.00 0.00 C ATOM 601 CD ARG A 37 -18.294 -2.526 -26.248 1.00 0.00 C ATOM 602 NE ARG A 37 -19.091 -3.615 -25.696 1.00 0.00 N ATOM 603 CZ ARG A 37 -18.689 -4.283 -24.620 1.00 0.00 C ATOM 604 NH1 ARG A 37 -19.421 -5.253 -24.144 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -17.563 -3.970 -24.039 1.00 0.00 N ATOM 0 H ARG A 37 -17.068 1.151 -29.137 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.541 0.718 -27.862 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -18.213 -0.931 -29.244 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.056 -1.058 -27.934 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -19.941 -1.470 -27.171 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -19.239 -2.715 -28.185 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.307 -2.894 -26.529 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -18.143 -1.756 -25.492 1.00 0.00 H new ATOM 0 HE ARG A 37 -19.972 -3.868 -26.143 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -20.301 -5.498 -24.598 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.113 -5.766 -23.318 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.991 -3.212 -24.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.255 -4.483 -23.213 1.00 0.00 H new ATOM 619 N LYS A 38 -16.914 0.885 -25.867 1.00 0.00 N ATOM 620 CA LYS A 38 -16.523 1.042 -24.471 1.00 0.00 C ATOM 621 C LYS A 38 -17.162 2.293 -23.874 1.00 0.00 C ATOM 622 O LYS A 38 -17.604 2.288 -22.725 1.00 0.00 O ATOM 623 CB LYS A 38 -15.001 1.145 -24.362 1.00 0.00 C ATOM 624 CG LYS A 38 -14.377 -0.221 -24.668 1.00 0.00 C ATOM 625 CD LYS A 38 -12.853 -0.095 -24.813 1.00 0.00 C ATOM 626 CE LYS A 38 -12.210 0.198 -23.453 1.00 0.00 C ATOM 627 NZ LYS A 38 -10.727 0.120 -23.582 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.142 0.922 -26.533 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.868 0.169 -23.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.625 1.894 -25.059 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.718 1.471 -23.361 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.616 -0.924 -23.870 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.804 -0.625 -25.586 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.443 -1.017 -25.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.613 0.703 -25.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.505 1.188 -23.104 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.560 -0.519 -22.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.287 0.318 -22.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.456 -0.833 -23.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.402 0.820 -24.279 1.00 0.00 H new ATOM 641 N ALA A 39 -17.207 3.362 -24.662 1.00 0.00 N ATOM 642 CA ALA A 39 -17.795 4.615 -24.202 1.00 0.00 C ATOM 643 C ALA A 39 -19.270 4.424 -23.867 1.00 0.00 C ATOM 644 O ALA A 39 -19.768 4.967 -22.880 1.00 0.00 O ATOM 645 CB ALA A 39 -17.649 5.688 -25.282 1.00 0.00 C ATOM 0 H ALA A 39 -16.846 3.387 -25.616 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.269 4.932 -23.302 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.091 6.620 -24.931 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.592 5.846 -25.498 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.160 5.364 -26.189 1.00 0.00 H new ATOM 651 N LEU A 40 -19.965 3.651 -24.694 1.00 0.00 N ATOM 652 CA LEU A 40 -21.385 3.396 -24.478 1.00 0.00 C ATOM 653 C LEU A 40 -21.600 2.693 -23.141 1.00 0.00 C ATOM 654 O LEU A 40 -22.498 3.048 -22.378 1.00 0.00 O ATOM 655 CB LEU A 40 -21.938 2.536 -25.622 1.00 0.00 C ATOM 656 CG LEU A 40 -23.431 2.244 -25.409 1.00 0.00 C ATOM 657 CD1 LEU A 40 -24.230 3.558 -25.366 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.934 1.375 -26.567 1.00 0.00 C ATOM 0 H LEU A 40 -19.571 3.192 -25.516 1.00 0.00 H new ATOM 0 HA LEU A 40 -21.916 4.348 -24.458 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.795 3.050 -26.572 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -21.384 1.599 -25.680 1.00 0.00 H new ATOM 0 HG LEU A 40 -23.567 1.722 -24.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -25.286 3.337 -25.215 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.868 4.177 -24.545 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -24.103 4.092 -26.307 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -24.994 1.161 -26.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -23.792 1.906 -27.508 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -23.374 0.440 -26.590 1.00 0.00 H new ATOM 670 N GLU A 41 -20.770 1.691 -22.865 1.00 0.00 N ATOM 671 CA GLU A 41 -20.881 0.943 -21.618 1.00 0.00 C ATOM 672 C GLU A 41 -20.655 1.864 -20.423 1.00 0.00 C ATOM 673 O GLU A 41 -21.365 1.783 -19.422 1.00 0.00 O ATOM 674 CB GLU A 41 -19.852 -0.192 -21.599 1.00 0.00 C ATOM 675 CG GLU A 41 -20.011 -1.015 -20.317 1.00 0.00 C ATOM 676 CD GLU A 41 -19.038 -2.188 -20.328 1.00 0.00 C ATOM 677 OE1 GLU A 41 -18.305 -2.314 -21.294 1.00 0.00 O ATOM 678 OE2 GLU A 41 -19.041 -2.944 -19.370 1.00 0.00 O1- ATOM 0 H GLU A 41 -20.020 1.381 -23.482 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.884 0.522 -21.552 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.986 -0.831 -22.472 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.844 0.218 -21.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.826 -0.386 -19.446 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.034 -1.381 -20.234 1.00 0.00 H new ATOM 685 N ASP A 42 -19.661 2.739 -20.537 1.00 0.00 N ATOM 686 CA ASP A 42 -19.350 3.671 -19.459 1.00 0.00 C ATOM 687 C ASP A 42 -20.540 4.585 -19.180 1.00 0.00 C ATOM 688 O ASP A 42 -20.887 4.833 -18.026 1.00 0.00 O ATOM 689 CB ASP A 42 -18.131 4.516 -19.835 1.00 0.00 C ATOM 690 CG ASP A 42 -17.754 5.432 -18.676 1.00 0.00 C ATOM 691 OD1 ASP A 42 -18.508 5.485 -17.719 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.715 6.066 -18.760 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.061 2.822 -21.358 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.130 3.096 -18.559 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.291 3.867 -20.084 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.350 5.110 -20.722 1.00 0.00 H new ATOM 697 N LYS A 43 -21.161 5.080 -20.245 1.00 0.00 N ATOM 698 CA LYS A 43 -22.316 5.963 -20.098 1.00 0.00 C ATOM 699 C LYS A 43 -23.470 5.229 -19.423 1.00 0.00 C ATOM 700 O LYS A 43 -24.172 5.796 -18.586 1.00 0.00 O ATOM 701 CB LYS A 43 -22.770 6.487 -21.466 1.00 0.00 C ATOM 702 CG LYS A 43 -21.746 7.492 -22.009 1.00 0.00 C ATOM 703 CD LYS A 43 -22.212 8.006 -23.372 1.00 0.00 C ATOM 704 CE LYS A 43 -21.197 9.016 -23.910 1.00 0.00 C ATOM 705 NZ LYS A 43 -21.649 9.511 -25.242 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.890 4.889 -21.209 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.019 6.806 -19.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.882 5.657 -22.164 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.747 6.963 -21.377 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.632 8.324 -21.314 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.769 7.018 -22.101 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.319 7.175 -24.069 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.193 8.473 -23.281 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.094 9.850 -23.216 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.215 8.551 -23.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.960 10.198 -25.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.726 8.711 -25.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.577 9.970 -25.145 1.00 0.00 H new ATOM 719 N LEU A 44 -23.656 3.965 -19.786 1.00 0.00 N ATOM 720 CA LEU A 44 -24.727 3.164 -19.201 1.00 0.00 C ATOM 721 C LEU A 44 -24.499 2.982 -17.705 1.00 0.00 C ATOM 722 O LEU A 44 -25.439 3.031 -16.912 1.00 0.00 O ATOM 723 CB LEU A 44 -24.803 1.789 -19.879 1.00 0.00 C ATOM 724 CG LEU A 44 -25.334 1.921 -21.318 1.00 0.00 C ATOM 725 CD1 LEU A 44 -25.167 0.577 -22.034 1.00 0.00 C ATOM 726 CD2 LEU A 44 -26.825 2.320 -21.312 1.00 0.00 C ATOM 0 H LEU A 44 -23.086 3.476 -20.476 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.668 3.691 -19.358 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.815 1.329 -19.891 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -25.454 1.130 -19.305 1.00 0.00 H new ATOM 0 HG LEU A 44 -24.770 2.696 -21.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -25.540 0.660 -23.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -24.112 0.304 -22.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -25.730 -0.191 -21.503 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -27.182 2.408 -22.338 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -27.404 1.557 -20.791 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -26.944 3.276 -20.803 1.00 0.00 H new ATOM 738 N ALA A 45 -23.243 2.775 -17.324 1.00 0.00 N ATOM 739 CA ALA A 45 -22.902 2.588 -15.917 1.00 0.00 C ATOM 740 C ALA A 45 -23.269 3.829 -15.110 1.00 0.00 C ATOM 741 O ALA A 45 -23.776 3.728 -13.992 1.00 0.00 O ATOM 742 CB ALA A 45 -21.404 2.310 -15.779 1.00 0.00 C ATOM 0 H ALA A 45 -22.449 2.733 -17.963 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.466 1.739 -15.532 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -21.155 2.171 -14.727 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -21.149 1.407 -16.334 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.839 3.153 -16.177 1.00 0.00 H new ATOM 748 N ASP A 46 -23.011 4.999 -15.687 1.00 0.00 N ATOM 749 CA ASP A 46 -23.319 6.257 -15.018 1.00 0.00 C ATOM 750 C ASP A 46 -22.716 6.288 -13.614 1.00 0.00 C ATOM 751 O ASP A 46 -23.315 6.835 -12.688 1.00 0.00 O ATOM 752 CB ASP A 46 -24.835 6.436 -14.922 1.00 0.00 C ATOM 753 CG ASP A 46 -25.167 7.859 -14.486 1.00 0.00 C ATOM 754 OD1 ASP A 46 -24.259 8.552 -14.055 1.00 0.00 O ATOM 755 OD2 ASP A 46 -26.323 8.234 -14.588 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.592 5.101 -16.611 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.888 7.069 -15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.296 6.226 -15.887 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.249 5.723 -14.209 1.00 0.00 H new ATOM 760 N LYS A 47 -21.525 5.705 -13.461 1.00 0.00 N ATOM 761 CA LYS A 47 -20.852 5.680 -12.163 1.00 0.00 C ATOM 762 C LYS A 47 -19.927 6.884 -12.018 1.00 0.00 C ATOM 763 O LYS A 47 -19.322 7.092 -10.966 1.00 0.00 O ATOM 764 CB LYS A 47 -20.039 4.391 -12.019 1.00 0.00 C ATOM 765 CG LYS A 47 -20.990 3.194 -11.951 1.00 0.00 C ATOM 766 CD LYS A 47 -20.181 1.905 -11.803 1.00 0.00 C ATOM 767 CE LYS A 47 -21.133 0.715 -11.673 1.00 0.00 C ATOM 768 NZ LYS A 47 -21.942 0.588 -12.918 1.00 0.00 N1+ ATOM 0 H LYS A 47 -21.011 5.248 -14.214 1.00 0.00 H new ATOM 0 HA LYS A 47 -21.610 5.720 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.359 4.281 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.426 4.434 -11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -21.672 3.306 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -21.601 3.150 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.530 1.771 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.537 1.966 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.567 -0.200 -11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.788 0.852 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.553 -0.251 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.531 1.437 -13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.307 0.489 -13.736 1.00 0.00 H new ATOM 782 N GLN A 48 -19.827 7.678 -13.079 1.00 0.00 N ATOM 783 CA GLN A 48 -18.977 8.865 -13.053 1.00 0.00 C ATOM 784 C GLN A 48 -19.490 9.864 -12.023 1.00 0.00 C ATOM 785 O GLN A 48 -18.707 10.494 -11.311 1.00 0.00 O ATOM 786 CB GLN A 48 -18.938 9.529 -14.438 1.00 0.00 C ATOM 787 CG GLN A 48 -18.138 8.669 -15.431 1.00 0.00 C ATOM 788 CD GLN A 48 -16.679 8.572 -14.996 1.00 0.00 C ATOM 789 OE1 GLN A 48 -16.190 7.483 -14.697 1.00 0.00 O ATOM 790 NE2 GLN A 48 -15.950 9.655 -14.944 1.00 0.00 N ATOM 0 H GLN A 48 -20.318 7.524 -13.960 1.00 0.00 H new ATOM 0 HA GLN A 48 -17.969 8.555 -12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -19.954 9.670 -14.808 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -18.487 10.518 -14.360 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -18.573 7.671 -15.491 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -18.198 9.103 -16.429 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.358 10.556 -15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.973 9.599 -14.655 1.00 0.00 H new ATOM 799 N GLU A 49 -20.810 10.002 -11.947 1.00 0.00 N ATOM 800 CA GLU A 49 -21.416 10.927 -10.993 1.00 0.00 C ATOM 801 C GLU A 49 -21.109 10.497 -9.562 1.00 0.00 C ATOM 802 O GLU A 49 -20.845 11.333 -8.695 1.00 0.00 O ATOM 803 CB GLU A 49 -22.933 10.992 -11.197 1.00 0.00 C ATOM 804 CG GLU A 49 -23.253 11.739 -12.497 1.00 0.00 C ATOM 805 CD GLU A 49 -24.743 11.629 -12.805 1.00 0.00 C ATOM 806 OE1 GLU A 49 -25.397 10.805 -12.186 1.00 0.00 O ATOM 807 OE2 GLU A 49 -25.209 12.371 -13.654 1.00 0.00 O1- ATOM 0 H GLU A 49 -21.475 9.491 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.992 11.916 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -23.347 9.984 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -23.401 11.497 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.968 12.787 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.671 11.322 -13.319 1.00 0.00 H new ATOM 814 N HIS A 50 -21.147 9.191 -9.320 1.00 0.00 N ATOM 815 CA HIS A 50 -20.870 8.662 -7.989 1.00 0.00 C ATOM 816 C HIS A 50 -19.424 8.942 -7.592 1.00 0.00 C ATOM 817 O HIS A 50 -18.508 8.789 -8.401 1.00 0.00 O ATOM 818 CB HIS A 50 -21.129 7.154 -7.965 1.00 0.00 C ATOM 819 CG HIS A 50 -21.112 6.662 -6.544 1.00 0.00 C ATOM 820 ND1 HIS A 50 -19.932 6.379 -5.875 1.00 0.00 N ATOM 821 CD2 HIS A 50 -22.121 6.399 -5.652 1.00 0.00 C ATOM 822 CE1 HIS A 50 -20.257 5.966 -4.637 1.00 0.00 C ATOM 823 NE2 HIS A 50 -21.579 5.959 -4.449 1.00 0.00 N ATOM 0 H HIS A 50 -21.365 8.484 -10.022 1.00 0.00 H new ATOM 0 HA HIS A 50 -21.530 9.155 -7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -22.092 6.933 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -20.369 6.635 -8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -23.176 6.516 -5.853 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -19.537 5.675 -3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -22.083 5.689 -3.604 1.00 0.00 H new ATOM 831 N LEU A 51 -19.226 9.354 -6.343 1.00 0.00 N ATOM 832 CA LEU A 51 -17.885 9.653 -5.852 1.00 0.00 C ATOM 833 C LEU A 51 -17.007 8.407 -5.912 1.00 0.00 C ATOM 834 O LEU A 51 -15.857 8.466 -6.346 1.00 0.00 O ATOM 835 CB LEU A 51 -17.967 10.173 -4.409 1.00 0.00 C ATOM 836 CG LEU A 51 -16.563 10.485 -3.864 1.00 0.00 C ATOM 837 CD1 LEU A 51 -15.887 11.565 -4.724 1.00 0.00 C ATOM 838 CD2 LEU A 51 -16.695 10.984 -2.421 1.00 0.00 C ATOM 0 H LEU A 51 -19.970 9.487 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 51 -17.439 10.420 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -18.584 11.071 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.452 9.430 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.952 9.583 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.894 11.777 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.800 11.210 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -16.487 12.475 -4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.706 11.209 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -17.308 11.885 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.165 10.213 -1.811 1.00 0.00 H new ATOM 850 N ASP A 52 -17.558 7.281 -5.473 1.00 0.00 N ATOM 851 CA ASP A 52 -16.817 6.024 -5.480 1.00 0.00 C ATOM 852 C ASP A 52 -15.464 6.199 -4.787 1.00 0.00 C ATOM 853 O ASP A 52 -15.286 7.121 -3.990 1.00 0.00 O ATOM 854 CB ASP A 52 -16.610 5.554 -6.925 1.00 0.00 C ATOM 855 CG ASP A 52 -16.264 4.068 -6.959 1.00 0.00 C ATOM 856 OD1 ASP A 52 -16.286 3.448 -5.908 1.00 0.00 O ATOM 857 OD2 ASP A 52 -15.983 3.570 -8.038 1.00 0.00 O1- ATOM 0 H ASP A 52 -18.509 7.212 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.391 5.273 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.514 5.736 -7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.810 6.130 -7.390 1.00 0.00 H new ATOM 862 N GLY A 53 -14.512 5.317 -5.089 1.00 0.00 N ATOM 863 CA GLY A 53 -13.189 5.400 -4.480 1.00 0.00 C ATOM 864 C GLY A 53 -12.504 6.719 -4.837 1.00 0.00 C ATOM 865 O GLY A 53 -11.835 7.321 -3.998 1.00 0.00 O ATOM 0 H GLY A 53 -14.632 4.545 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.277 5.313 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.576 4.564 -4.818 1.00 0.00 H new ATOM 869 N ALA A 54 -12.670 7.165 -6.084 1.00 0.00 N ATOM 870 CA ALA A 54 -12.056 8.414 -6.520 1.00 0.00 C ATOM 871 C ALA A 54 -10.549 8.381 -6.281 1.00 0.00 C ATOM 872 O ALA A 54 -9.926 9.418 -6.056 1.00 0.00 O ATOM 873 CB ALA A 54 -12.669 9.590 -5.759 1.00 0.00 C ATOM 0 H ALA A 54 -13.217 6.685 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.241 8.536 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.205 10.519 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.741 9.630 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.499 9.460 -4.690 1.00 0.00 H new ATOM 879 N LEU A 55 -9.970 7.186 -6.333 1.00 0.00 N ATOM 880 CA LEU A 55 -8.535 7.034 -6.120 1.00 0.00 C ATOM 881 C LEU A 55 -7.755 7.774 -7.202 1.00 0.00 C ATOM 882 O LEU A 55 -6.731 8.399 -6.927 1.00 0.00 O ATOM 883 CB LEU A 55 -8.156 5.550 -6.145 1.00 0.00 C ATOM 884 CG LEU A 55 -8.730 4.835 -4.912 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.532 3.324 -5.076 1.00 0.00 C ATOM 886 CD2 LEU A 55 -8.021 5.314 -3.626 1.00 0.00 C ATOM 0 H LEU A 55 -10.467 6.315 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.284 7.457 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.537 5.085 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.071 5.444 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.792 5.067 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.936 2.807 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.050 2.984 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.468 3.104 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.442 4.796 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.955 5.096 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.165 6.388 -3.510 1.00 0.00 H new ATOM 898 N ARG A 56 -8.247 7.700 -8.435 1.00 0.00 N ATOM 899 CA ARG A 56 -7.588 8.367 -9.552 1.00 0.00 C ATOM 900 C ARG A 56 -7.575 9.877 -9.341 1.00 0.00 C ATOM 901 O ARG A 56 -6.586 10.547 -9.643 1.00 0.00 O ATOM 902 CB ARG A 56 -8.314 8.039 -10.859 1.00 0.00 C ATOM 903 CG ARG A 56 -8.081 6.570 -11.216 1.00 0.00 C ATOM 904 CD ARG A 56 -8.848 6.227 -12.494 1.00 0.00 C ATOM 905 NE ARG A 56 -8.610 4.837 -12.869 1.00 0.00 N ATOM 906 CZ ARG A 56 -9.288 3.845 -12.301 1.00 0.00 C ATOM 907 NH1 ARG A 56 -9.056 2.610 -12.655 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -10.185 4.105 -11.391 1.00 0.00 N ATOM 0 H ARG A 56 -9.094 7.189 -8.685 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.560 8.010 -9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.381 8.234 -10.754 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.950 8.681 -11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.016 6.384 -11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.411 5.929 -10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.915 6.392 -12.342 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.535 6.888 -13.303 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.911 4.623 -13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.355 2.407 -13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.576 1.848 -12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.367 5.070 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.705 3.343 -10.955 1.00 0.00 H new ATOM 922 N TYR A 57 -8.676 10.407 -8.819 1.00 0.00 N ATOM 923 CA TYR A 57 -8.779 11.840 -8.573 1.00 0.00 C ATOM 924 C TYR A 57 -7.623 12.314 -7.697 1.00 0.00 C ATOM 925 O TYR A 57 -7.409 11.713 -6.656 1.00 0.00 O ATOM 926 CB TYR A 57 -10.110 12.158 -7.886 1.00 0.00 C ATOM 927 CG TYR A 57 -10.167 13.628 -7.541 1.00 0.00 C ATOM 928 CD1 TYR A 57 -10.454 14.568 -8.536 1.00 0.00 C ATOM 929 CD2 TYR A 57 -9.934 14.051 -6.225 1.00 0.00 C ATOM 930 CE1 TYR A 57 -10.507 15.932 -8.218 1.00 0.00 C ATOM 931 CE2 TYR A 57 -9.987 15.412 -5.908 1.00 0.00 C ATOM 932 CZ TYR A 57 -10.273 16.353 -6.905 1.00 0.00 C ATOM 933 OH TYR A 57 -10.326 17.697 -6.592 1.00 0.00 O ATOM 934 OXT TYR A 57 -6.970 13.272 -8.079 1.00 0.00 O ATOM 0 H TYR A 57 -9.504 9.870 -8.560 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.733 12.361 -9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -10.940 11.896 -8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.216 11.558 -6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.635 14.243 -9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.714 13.326 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.728 16.658 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.807 15.738 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.141 17.818 -5.637 1.00 0.00 H new TER 944 TYR A 57