USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 54 SER OG : rot -25:sc= 0.82 USER MOD Set 1.2: A 76 SER OG : rot 103:sc= 0.731 USER MOD Single : A 7 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.5) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -144:sc=-0.00472 (180deg=-0.0759) USER MOD Single : A 14 THR OG1 : rot 100:sc= 1.17 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -64:sc= 0.809 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 34 SER OG : rot 80:sc= 0.00336 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -2.59 F(o=-3.1!,f=-2.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.14) USER MOD Single : A 50 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-2) USER MOD Single : A 55 GLN : amide:sc=-0.000314 K(o=-0.00031,f=-1.8!) USER MOD Single : A 56 MET CE :methyl -158:sc= -0.647 (180deg=-1.23) USER MOD Single : A 58 LYS NZ :NH3+ 133:sc= -0.0393 (180deg=-0.535) USER MOD Single : A 59 LYS NZ :NH3+ 134:sc= -0.0872 (180deg=-0.695) USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.122 USER MOD Single : A 66 GLN : amide:sc= -0.775 K(o=-0.77,f=-2.2!) USER MOD Single : A 68 SER OG : rot -139:sc= -2.65! USER MOD Single : A 70 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.933 -13.978 4.089 1.00 0.00 N ATOM 111 CA HIS A 7 -8.283 -13.772 5.425 1.00 0.00 C ATOM 112 C HIS A 7 -6.756 -13.581 5.253 1.00 0.00 C ATOM 113 O HIS A 7 -6.159 -12.831 5.995 1.00 0.00 O ATOM 114 CB HIS A 7 -8.580 -14.984 6.361 1.00 0.00 C ATOM 115 CG HIS A 7 -9.872 -15.650 5.956 1.00 0.00 C ATOM 116 ND1 HIS A 7 -9.913 -16.612 4.965 1.00 0.00 N ATOM 117 CD2 HIS A 7 -11.171 -15.500 6.388 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.192 -16.998 4.820 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.003 -16.352 5.665 1.00 0.00 N ATOM 0 HA HIS A 7 -8.695 -12.872 5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.761 -15.701 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.645 -14.647 7.395 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.495 -14.826 7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.524 -17.739 4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.013 -16.460 5.760 1.00 0.00 H new ATOM 127 N PRO A 8 -6.111 -14.231 4.296 1.00 0.00 N ATOM 128 CA PRO A 8 -4.634 -14.064 4.107 1.00 0.00 C ATOM 129 C PRO A 8 -4.248 -12.601 3.845 1.00 0.00 C ATOM 130 O PRO A 8 -4.781 -11.951 2.969 1.00 0.00 O ATOM 131 CB PRO A 8 -4.309 -14.959 2.886 1.00 0.00 C ATOM 132 CG PRO A 8 -5.427 -15.952 2.839 1.00 0.00 C ATOM 133 CD PRO A 8 -6.673 -15.175 3.310 1.00 0.00 C ATOM 0 HA PRO A 8 -4.073 -14.346 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.259 -14.374 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.344 -15.453 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.564 -16.344 1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.225 -16.804 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.163 -14.656 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.416 -15.834 3.758 1.00 0.00 H new ATOM 141 N LEU A 9 -3.312 -12.091 4.598 1.00 0.00 N ATOM 142 CA LEU A 9 -2.874 -10.685 4.395 1.00 0.00 C ATOM 143 C LEU A 9 -2.142 -10.577 3.054 1.00 0.00 C ATOM 144 O LEU A 9 -2.303 -9.622 2.322 1.00 0.00 O ATOM 145 CB LEU A 9 -1.933 -10.272 5.529 1.00 0.00 C ATOM 146 CG LEU A 9 -2.574 -10.567 6.894 1.00 0.00 C ATOM 147 CD1 LEU A 9 -1.582 -10.176 7.995 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.884 -9.761 7.063 1.00 0.00 C ATOM 0 H LEU A 9 -2.832 -12.591 5.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.742 -10.026 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.989 -10.809 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.703 -9.209 5.450 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.813 -11.628 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.023 -10.380 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.666 -10.756 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.351 -9.114 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.324 -9.982 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.666 -8.695 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.585 -10.037 6.276 1.00 0.00 H new ATOM 160 N GLN A 10 -1.332 -11.554 2.727 1.00 0.00 N ATOM 161 CA GLN A 10 -0.581 -11.507 1.438 1.00 0.00 C ATOM 162 C GLN A 10 -1.570 -11.366 0.282 1.00 0.00 C ATOM 163 O GLN A 10 -1.390 -10.557 -0.607 1.00 0.00 O ATOM 164 CB GLN A 10 0.213 -12.807 1.278 1.00 0.00 C ATOM 165 CG GLN A 10 1.052 -12.762 -0.004 1.00 0.00 C ATOM 166 CD GLN A 10 1.944 -14.004 -0.067 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.455 -15.115 -0.087 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.241 -13.861 -0.094 1.00 0.00 N ATOM 0 H GLN A 10 -1.160 -12.381 3.298 1.00 0.00 H new ATOM 0 HA GLN A 10 0.101 -10.657 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.862 -12.953 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.469 -13.656 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.401 -12.723 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.663 -11.860 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.652 -12.927 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.844 -14.683 -0.132 1.00 0.00 H new ATOM 177 N ASP A 11 -2.620 -12.134 0.296 1.00 0.00 N ATOM 178 CA ASP A 11 -3.625 -12.032 -0.791 1.00 0.00 C ATOM 179 C ASP A 11 -4.287 -10.654 -0.737 1.00 0.00 C ATOM 180 O ASP A 11 -4.598 -10.066 -1.753 1.00 0.00 O ATOM 181 CB ASP A 11 -4.690 -13.120 -0.614 1.00 0.00 C ATOM 182 CG ASP A 11 -5.626 -13.126 -1.828 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.221 -12.632 -2.868 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.731 -13.627 -1.697 1.00 0.00 O ATOM 0 H ASP A 11 -2.825 -12.828 1.014 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.134 -12.165 -1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.214 -14.094 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.261 -12.940 0.297 1.00 0.00 H new ATOM 189 N MET A 12 -4.512 -10.140 0.444 1.00 0.00 N ATOM 190 CA MET A 12 -5.165 -8.807 0.562 1.00 0.00 C ATOM 191 C MET A 12 -4.281 -7.730 -0.084 1.00 0.00 C ATOM 192 O MET A 12 -4.723 -6.992 -0.943 1.00 0.00 O ATOM 193 CB MET A 12 -5.377 -8.490 2.049 1.00 0.00 C ATOM 194 CG MET A 12 -6.131 -7.167 2.202 1.00 0.00 C ATOM 195 SD MET A 12 -6.552 -6.903 3.948 1.00 0.00 S ATOM 196 CE MET A 12 -5.054 -6.014 4.443 1.00 0.00 C ATOM 0 H MET A 12 -4.272 -10.586 1.329 1.00 0.00 H new ATOM 0 HA MET A 12 -6.126 -8.821 0.048 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.938 -9.295 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.414 -8.430 2.557 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.518 -6.343 1.837 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.038 -7.182 1.597 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.783 -6.296 5.460 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.239 -6.270 3.766 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.237 -4.940 4.401 1.00 0.00 H new ATOM 206 N PHE A 13 -3.035 -7.635 0.309 1.00 0.00 N ATOM 207 CA PHE A 13 -2.139 -6.604 -0.298 1.00 0.00 C ATOM 208 C PHE A 13 -1.810 -6.979 -1.750 1.00 0.00 C ATOM 209 O PHE A 13 -1.780 -6.136 -2.623 1.00 0.00 O ATOM 210 CB PHE A 13 -0.837 -6.505 0.510 1.00 0.00 C ATOM 211 CG PHE A 13 -1.130 -5.925 1.881 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.415 -4.560 2.009 1.00 0.00 C ATOM 213 CD2 PHE A 13 -1.114 -6.743 3.023 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.685 -4.014 3.270 1.00 0.00 C ATOM 215 CE2 PHE A 13 -1.384 -6.194 4.282 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.669 -4.831 4.405 1.00 0.00 C ATOM 0 H PHE A 13 -2.602 -8.224 1.020 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.651 -5.642 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.384 -7.491 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.118 -5.876 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.427 -3.927 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.893 -7.796 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.906 -2.961 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.372 -6.824 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.877 -4.409 5.377 1.00 0.00 H new ATOM 226 N THR A 14 -1.551 -8.228 -2.017 1.00 0.00 N ATOM 227 CA THR A 14 -1.202 -8.637 -3.411 1.00 0.00 C ATOM 228 C THR A 14 -2.358 -8.310 -4.361 1.00 0.00 C ATOM 229 O THR A 14 -2.156 -7.769 -5.431 1.00 0.00 O ATOM 230 CB THR A 14 -0.923 -10.143 -3.433 1.00 0.00 C ATOM 231 OG1 THR A 14 0.171 -10.425 -2.571 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.574 -10.600 -4.853 1.00 0.00 C ATOM 0 H THR A 14 -1.565 -8.985 -1.333 1.00 0.00 H new ATOM 0 HA THR A 14 -0.317 -8.092 -3.739 1.00 0.00 H new ATOM 0 HB THR A 14 -1.814 -10.674 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.165 -10.768 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.378 -11.672 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.408 -10.384 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.313 -10.070 -5.198 1.00 0.00 H new ATOM 240 N SER A 15 -3.563 -8.631 -3.987 1.00 0.00 N ATOM 241 CA SER A 15 -4.722 -8.336 -4.879 1.00 0.00 C ATOM 242 C SER A 15 -4.837 -6.826 -5.114 1.00 0.00 C ATOM 243 O SER A 15 -5.049 -6.377 -6.223 1.00 0.00 O ATOM 244 CB SER A 15 -6.007 -8.833 -4.220 1.00 0.00 C ATOM 245 OG SER A 15 -7.128 -8.264 -4.884 1.00 0.00 O ATOM 0 H SER A 15 -3.798 -9.084 -3.104 1.00 0.00 H new ATOM 0 HA SER A 15 -4.570 -8.840 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.056 -9.921 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.017 -8.559 -3.165 1.00 0.00 H new ATOM 0 HG SER A 15 -7.954 -8.583 -4.464 1.00 0.00 H new ATOM 251 N ALA A 16 -4.718 -6.041 -4.078 1.00 0.00 N ATOM 252 CA ALA A 16 -4.849 -4.563 -4.240 1.00 0.00 C ATOM 253 C ALA A 16 -3.673 -3.989 -5.036 1.00 0.00 C ATOM 254 O ALA A 16 -3.853 -3.155 -5.896 1.00 0.00 O ATOM 255 CB ALA A 16 -4.870 -3.913 -2.858 1.00 0.00 C ATOM 0 H ALA A 16 -4.536 -6.358 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.772 -4.355 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.965 -2.833 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.716 -4.297 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.943 -4.145 -2.333 1.00 0.00 H new ATOM 261 N ILE A 17 -2.476 -4.415 -4.752 1.00 0.00 N ATOM 262 CA ILE A 17 -1.296 -3.870 -5.487 1.00 0.00 C ATOM 263 C ILE A 17 -1.425 -4.202 -6.976 1.00 0.00 C ATOM 264 O ILE A 17 -1.237 -3.359 -7.829 1.00 0.00 O ATOM 265 CB ILE A 17 -0.031 -4.529 -4.912 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.188 -4.044 -3.459 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.206 -4.171 -5.763 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.181 -4.973 -2.748 1.00 0.00 C ATOM 0 H ILE A 17 -2.260 -5.117 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.240 -2.787 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.165 -5.611 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.568 -3.022 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.761 -4.031 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.090 -4.647 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.059 -4.523 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.344 -3.090 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.333 -4.629 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.784 -5.988 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.133 -4.963 -3.279 1.00 0.00 H new ATOM 280 N GLU A 18 -1.746 -5.422 -7.288 1.00 0.00 N ATOM 281 CA GLU A 18 -1.881 -5.817 -8.715 1.00 0.00 C ATOM 282 C GLU A 18 -3.081 -5.097 -9.342 1.00 0.00 C ATOM 283 O GLU A 18 -3.103 -4.832 -10.529 1.00 0.00 O ATOM 284 CB GLU A 18 -2.071 -7.336 -8.805 1.00 0.00 C ATOM 285 CG GLU A 18 -0.786 -8.037 -8.344 1.00 0.00 C ATOM 286 CD GLU A 18 -0.985 -9.556 -8.336 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.069 -9.998 -8.682 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.048 -10.254 -7.983 1.00 0.00 O ATOM 0 H GLU A 18 -1.922 -6.167 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.980 -5.535 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.911 -7.646 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.309 -7.624 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.038 -7.774 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.514 -7.693 -7.346 1.00 0.00 H new ATOM 295 N ALA A 19 -4.079 -4.784 -8.562 1.00 0.00 N ATOM 296 CA ALA A 19 -5.277 -4.090 -9.122 1.00 0.00 C ATOM 297 C ALA A 19 -4.901 -2.698 -9.649 1.00 0.00 C ATOM 298 O ALA A 19 -5.344 -2.293 -10.706 1.00 0.00 O ATOM 299 CB ALA A 19 -6.335 -3.945 -8.029 1.00 0.00 C ATOM 0 H ALA A 19 -4.118 -4.978 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.669 -4.684 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.211 -3.439 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.622 -4.932 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.928 -3.360 -7.204 1.00 0.00 H new ATOM 305 N VAL A 20 -4.092 -1.962 -8.914 1.00 0.00 N ATOM 306 CA VAL A 20 -3.682 -0.578 -9.357 1.00 0.00 C ATOM 307 C VAL A 20 -2.183 -0.560 -9.707 1.00 0.00 C ATOM 308 O VAL A 20 -1.560 0.481 -9.731 1.00 0.00 O ATOM 309 CB VAL A 20 -3.961 0.435 -8.227 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.474 0.650 -8.086 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.401 -0.090 -6.897 1.00 0.00 C ATOM 0 H VAL A 20 -3.695 -2.260 -8.023 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.259 -0.303 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.476 1.379 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.667 1.366 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.876 1.035 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.956 -0.298 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.603 0.633 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.877 -1.039 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.325 -0.236 -6.988 1.00 0.00 H new ATOM 321 N ALA A 21 -1.598 -1.698 -9.981 1.00 0.00 N ATOM 322 CA ALA A 21 -0.144 -1.722 -10.331 1.00 0.00 C ATOM 323 C ALA A 21 0.066 -1.016 -11.679 1.00 0.00 C ATOM 324 O ALA A 21 1.162 -0.957 -12.199 1.00 0.00 O ATOM 325 CB ALA A 21 0.334 -3.188 -10.419 1.00 0.00 C ATOM 0 H ALA A 21 -2.060 -2.607 -9.978 1.00 0.00 H new ATOM 0 HA ALA A 21 0.432 -1.204 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.394 -3.211 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.182 -3.679 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.235 -3.711 -11.188 1.00 0.00 H new ATOM 331 N ARG A 22 -0.987 -0.483 -12.248 1.00 0.00 N ATOM 332 CA ARG A 22 -0.868 0.216 -13.562 1.00 0.00 C ATOM 333 C ARG A 22 -0.371 -0.776 -14.624 1.00 0.00 C ATOM 334 O ARG A 22 -0.692 -1.947 -14.594 1.00 0.00 O ATOM 335 CB ARG A 22 0.108 1.424 -13.479 1.00 0.00 C ATOM 336 CG ARG A 22 -0.102 2.257 -12.184 1.00 0.00 C ATOM 337 CD ARG A 22 -1.382 3.126 -12.287 1.00 0.00 C ATOM 338 NE ARG A 22 -2.007 3.349 -10.927 1.00 0.00 N ATOM 339 CZ ARG A 22 -2.926 4.284 -10.796 1.00 0.00 C ATOM 340 NH1 ARG A 22 -2.941 5.272 -11.650 1.00 0.00 N ATOM 341 NH2 ARG A 22 -3.771 4.288 -9.794 1.00 0.00 N ATOM 0 H ARG A 22 -1.928 -0.503 -11.855 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.852 0.597 -13.835 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.136 1.062 -13.514 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.034 2.065 -14.349 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.179 1.589 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.764 2.897 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.136 4.087 -12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.102 2.640 -12.945 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.722 2.786 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.250 5.309 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.644 6.007 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.728 3.553 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.471 5.026 -9.720 1.00 0.00 H new ATOM 355 N ASP A 23 0.402 -0.302 -15.563 1.00 0.00 N ATOM 356 CA ASP A 23 0.924 -1.193 -16.636 1.00 0.00 C ATOM 357 C ASP A 23 1.763 -2.321 -16.025 1.00 0.00 C ATOM 358 O ASP A 23 1.571 -3.481 -16.327 1.00 0.00 O ATOM 359 CB ASP A 23 1.797 -0.355 -17.573 1.00 0.00 C ATOM 360 CG ASP A 23 2.318 -1.217 -18.728 1.00 0.00 C ATOM 361 OD1 ASP A 23 2.101 -2.417 -18.696 1.00 0.00 O ATOM 362 OD2 ASP A 23 2.929 -0.658 -19.623 1.00 0.00 O ATOM 0 H ASP A 23 0.696 0.672 -15.632 1.00 0.00 H new ATOM 0 HA ASP A 23 0.093 -1.637 -17.185 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.220 0.482 -17.966 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.635 0.068 -17.019 1.00 0.00 H new ATOM 367 N SER A 24 2.691 -1.988 -15.170 1.00 0.00 N ATOM 368 CA SER A 24 3.544 -3.041 -14.540 1.00 0.00 C ATOM 369 C SER A 24 4.589 -2.363 -13.652 1.00 0.00 C ATOM 370 O SER A 24 5.685 -2.073 -14.087 1.00 0.00 O ATOM 371 CB SER A 24 4.249 -3.855 -15.638 1.00 0.00 C ATOM 372 OG SER A 24 5.490 -4.354 -15.144 1.00 0.00 O ATOM 0 H SER A 24 2.897 -1.032 -14.879 1.00 0.00 H new ATOM 0 HA SER A 24 2.927 -3.710 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.614 -4.682 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.420 -3.230 -16.514 1.00 0.00 H new ATOM 0 HG SER A 24 6.086 -3.604 -14.938 1.00 0.00 H new ATOM 378 N GLY A 25 4.263 -2.105 -12.417 1.00 0.00 N ATOM 379 CA GLY A 25 5.252 -1.444 -11.521 1.00 0.00 C ATOM 380 C GLY A 25 4.696 -1.368 -10.099 1.00 0.00 C ATOM 381 O GLY A 25 3.673 -1.942 -9.787 1.00 0.00 O ATOM 0 H GLY A 25 3.362 -2.321 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.189 -2.001 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.475 -0.442 -11.888 1.00 0.00 H new ATOM 385 N TRP A 26 5.371 -0.660 -9.241 1.00 0.00 N ATOM 386 CA TRP A 26 4.902 -0.535 -7.833 1.00 0.00 C ATOM 387 C TRP A 26 3.497 0.071 -7.813 1.00 0.00 C ATOM 388 O TRP A 26 2.886 0.277 -8.842 1.00 0.00 O ATOM 389 CB TRP A 26 5.855 0.386 -7.068 1.00 0.00 C ATOM 390 CG TRP A 26 7.210 -0.238 -6.993 1.00 0.00 C ATOM 391 CD1 TRP A 26 8.103 -0.281 -8.008 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.848 -0.894 -5.858 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.245 -0.929 -7.571 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.136 -1.324 -6.253 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.436 -1.155 -4.540 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.987 -1.991 -5.371 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.289 -1.827 -3.649 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.562 -2.243 -4.062 1.00 0.00 C ATOM 0 H TRP A 26 6.233 -0.159 -9.455 1.00 0.00 H new ATOM 0 HA TRP A 26 4.881 -1.520 -7.367 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.917 1.354 -7.565 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.472 0.568 -6.064 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.950 0.124 -8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.067 -1.094 -8.152 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.458 -0.837 -4.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.966 -2.310 -5.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.962 -2.024 -2.639 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.214 -2.757 -3.371 1.00 0.00 H new ATOM 409 N ALA A 27 2.980 0.355 -6.641 1.00 0.00 N ATOM 410 CA ALA A 27 1.604 0.947 -6.523 1.00 0.00 C ATOM 411 C ALA A 27 1.579 1.934 -5.347 1.00 0.00 C ATOM 412 O ALA A 27 2.192 1.707 -4.323 1.00 0.00 O ATOM 413 CB ALA A 27 0.598 -0.174 -6.259 1.00 0.00 C ATOM 0 H ALA A 27 3.455 0.201 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 27 1.345 1.466 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.403 0.248 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.621 -0.886 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.858 -0.685 -5.332 1.00 0.00 H new ATOM 419 N GLU A 28 0.875 3.024 -5.485 1.00 0.00 N ATOM 420 CA GLU A 28 0.811 4.026 -4.377 1.00 0.00 C ATOM 421 C GLU A 28 0.045 3.441 -3.180 1.00 0.00 C ATOM 422 O GLU A 28 -1.015 2.866 -3.331 1.00 0.00 O ATOM 423 CB GLU A 28 0.094 5.285 -4.880 1.00 0.00 C ATOM 424 CG GLU A 28 0.953 5.980 -5.944 1.00 0.00 C ATOM 425 CD GLU A 28 0.199 7.182 -6.525 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.916 7.431 -6.092 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.751 7.837 -7.395 1.00 0.00 O ATOM 0 H GLU A 28 0.339 3.267 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 28 1.823 4.278 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.876 5.019 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.093 5.965 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.895 6.309 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.201 5.277 -6.739 1.00 0.00 H new ATOM 434 N LEU A 29 0.580 3.579 -1.990 1.00 0.00 N ATOM 435 CA LEU A 29 -0.103 3.027 -0.777 1.00 0.00 C ATOM 436 C LEU A 29 -1.497 3.644 -0.658 1.00 0.00 C ATOM 437 O LEU A 29 -2.450 2.975 -0.305 1.00 0.00 O ATOM 438 CB LEU A 29 0.726 3.385 0.467 1.00 0.00 C ATOM 439 CG LEU A 29 0.100 2.813 1.759 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.085 1.268 1.734 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.937 3.292 2.952 1.00 0.00 C ATOM 0 H LEU A 29 1.465 4.053 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.193 1.944 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.739 2.999 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.806 4.469 0.551 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.930 3.160 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.361 0.894 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.500 0.924 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.106 0.896 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.512 2.899 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.962 2.936 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.933 4.381 2.985 1.00 0.00 H new ATOM 453 N SER A 30 -1.631 4.915 -0.941 1.00 0.00 N ATOM 454 CA SER A 30 -2.973 5.558 -0.832 1.00 0.00 C ATOM 455 C SER A 30 -3.973 4.789 -1.700 1.00 0.00 C ATOM 456 O SER A 30 -5.090 4.535 -1.297 1.00 0.00 O ATOM 457 CB SER A 30 -2.895 7.010 -1.312 1.00 0.00 C ATOM 458 OG SER A 30 -2.474 7.037 -2.670 1.00 0.00 O ATOM 0 H SER A 30 -0.875 5.530 -1.241 1.00 0.00 H new ATOM 0 HA SER A 30 -3.297 5.542 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.868 7.490 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.197 7.572 -0.692 1.00 0.00 H new ATOM 0 HG SER A 30 -2.425 7.966 -2.979 1.00 0.00 H new ATOM 464 N ALA A 31 -3.576 4.407 -2.883 1.00 0.00 N ATOM 465 CA ALA A 31 -4.504 3.647 -3.768 1.00 0.00 C ATOM 466 C ALA A 31 -4.848 2.303 -3.118 1.00 0.00 C ATOM 467 O ALA A 31 -5.963 1.828 -3.213 1.00 0.00 O ATOM 468 CB ALA A 31 -3.836 3.404 -5.124 1.00 0.00 C ATOM 0 H ALA A 31 -2.652 4.588 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.418 4.223 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.516 2.848 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.595 4.361 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.921 2.830 -4.981 1.00 0.00 H new ATOM 474 N VAL A 32 -3.904 1.682 -2.464 1.00 0.00 N ATOM 475 CA VAL A 32 -4.188 0.364 -1.822 1.00 0.00 C ATOM 476 C VAL A 32 -5.268 0.529 -0.748 1.00 0.00 C ATOM 477 O VAL A 32 -6.215 -0.229 -0.688 1.00 0.00 O ATOM 478 CB VAL A 32 -2.897 -0.169 -1.180 1.00 0.00 C ATOM 479 CG1 VAL A 32 -3.181 -1.472 -0.412 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.871 -0.433 -2.285 1.00 0.00 C ATOM 0 H VAL A 32 -2.952 2.028 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.543 -0.340 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.509 0.568 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.258 -1.838 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.915 -1.280 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.572 -2.222 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.949 -0.812 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.269 -1.170 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.663 0.495 -2.818 1.00 0.00 H new ATOM 490 N GLY A 33 -5.124 1.501 0.108 1.00 0.00 N ATOM 491 CA GLY A 33 -6.136 1.692 1.185 1.00 0.00 C ATOM 492 C GLY A 33 -7.512 1.938 0.563 1.00 0.00 C ATOM 493 O GLY A 33 -8.495 1.348 0.963 1.00 0.00 O ATOM 0 H GLY A 33 -4.353 2.169 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.169 0.812 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.855 2.536 1.815 1.00 0.00 H new ATOM 497 N SER A 34 -7.594 2.801 -0.413 1.00 0.00 N ATOM 498 CA SER A 34 -8.913 3.072 -1.053 1.00 0.00 C ATOM 499 C SER A 34 -9.423 1.813 -1.761 1.00 0.00 C ATOM 500 O SER A 34 -10.588 1.477 -1.685 1.00 0.00 O ATOM 501 CB SER A 34 -8.769 4.204 -2.070 1.00 0.00 C ATOM 502 OG SER A 34 -8.302 5.370 -1.406 1.00 0.00 O ATOM 0 H SER A 34 -6.808 3.328 -0.794 1.00 0.00 H new ATOM 0 HA SER A 34 -9.626 3.363 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.073 3.916 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.728 4.403 -2.549 1.00 0.00 H new ATOM 0 HG SER A 34 -7.333 5.306 -1.276 1.00 0.00 H new ATOM 508 N TYR A 35 -8.560 1.118 -2.459 1.00 0.00 N ATOM 509 CA TYR A 35 -9.000 -0.111 -3.185 1.00 0.00 C ATOM 510 C TYR A 35 -9.535 -1.137 -2.186 1.00 0.00 C ATOM 511 O TYR A 35 -10.595 -1.701 -2.370 1.00 0.00 O ATOM 512 CB TYR A 35 -7.800 -0.708 -3.936 1.00 0.00 C ATOM 513 CG TYR A 35 -8.211 -1.995 -4.634 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.721 -1.952 -5.939 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.083 -3.227 -3.975 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.096 -3.137 -6.584 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.458 -4.412 -4.623 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.965 -4.366 -5.926 1.00 0.00 C ATOM 519 OH TYR A 35 -9.334 -5.532 -6.566 1.00 0.00 O ATOM 0 H TYR A 35 -7.571 1.349 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.789 0.146 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.425 0.008 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.986 -0.907 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.825 -1.005 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.695 -3.262 -2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.487 -3.103 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.356 -5.360 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.179 -6.295 -5.971 1.00 0.00 H new ATOM 529 N LEU A 36 -8.808 -1.386 -1.136 1.00 0.00 N ATOM 530 CA LEU A 36 -9.273 -2.383 -0.134 1.00 0.00 C ATOM 531 C LEU A 36 -10.578 -1.892 0.492 1.00 0.00 C ATOM 532 O LEU A 36 -11.504 -2.653 0.689 1.00 0.00 O ATOM 533 CB LEU A 36 -8.206 -2.539 0.953 1.00 0.00 C ATOM 534 CG LEU A 36 -6.927 -3.168 0.361 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.799 -3.088 1.400 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.167 -4.651 -0.033 1.00 0.00 C ATOM 0 H LEU A 36 -7.913 -0.943 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.441 -3.346 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.974 -1.566 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.588 -3.165 1.760 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.650 -2.616 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.892 -3.531 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.611 -2.045 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.092 -3.632 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.250 -5.070 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.459 -5.219 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.960 -4.706 -0.779 1.00 0.00 H new ATOM 548 N ALA A 37 -10.664 -0.626 0.800 1.00 0.00 N ATOM 549 CA ALA A 37 -11.918 -0.099 1.409 1.00 0.00 C ATOM 550 C ALA A 37 -13.080 -0.343 0.443 1.00 0.00 C ATOM 551 O ALA A 37 -14.148 -0.770 0.836 1.00 0.00 O ATOM 552 CB ALA A 37 -11.774 1.402 1.672 1.00 0.00 C ATOM 0 H ALA A 37 -9.925 0.062 0.657 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.110 -0.608 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.693 1.783 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.942 1.574 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.585 1.920 0.732 1.00 0.00 H new ATOM 558 N LYS A 38 -12.880 -0.074 -0.819 1.00 0.00 N ATOM 559 CA LYS A 38 -13.970 -0.286 -1.813 1.00 0.00 C ATOM 560 C LYS A 38 -14.315 -1.779 -1.892 1.00 0.00 C ATOM 561 O LYS A 38 -15.470 -2.156 -1.908 1.00 0.00 O ATOM 562 CB LYS A 38 -13.499 0.208 -3.182 1.00 0.00 C ATOM 563 CG LYS A 38 -14.648 0.128 -4.193 1.00 0.00 C ATOM 564 CD LYS A 38 -14.178 0.686 -5.536 1.00 0.00 C ATOM 565 CE LYS A 38 -15.325 0.628 -6.545 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.868 1.190 -7.846 1.00 0.00 N ATOM 0 H LYS A 38 -12.006 0.284 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.858 0.268 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.143 1.235 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.659 -0.395 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.974 -0.906 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.506 0.694 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.838 1.715 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.328 0.111 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.656 -0.402 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.180 1.192 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.647 1.151 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.573 2.178 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.065 0.633 -8.202 1.00 0.00 H new ATOM 580 N ASN A 39 -13.321 -2.633 -1.945 1.00 0.00 N ATOM 581 CA ASN A 39 -13.587 -4.106 -2.031 1.00 0.00 C ATOM 582 C ASN A 39 -13.847 -4.661 -0.628 1.00 0.00 C ATOM 583 O ASN A 39 -14.237 -5.798 -0.462 1.00 0.00 O ATOM 584 CB ASN A 39 -12.362 -4.801 -2.632 1.00 0.00 C ATOM 585 CG ASN A 39 -12.191 -4.356 -4.086 1.00 0.00 C ATOM 586 OD1 ASN A 39 -11.156 -3.633 -4.417 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -13.007 -4.667 -4.929 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.335 -2.374 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.460 -4.285 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.470 -4.553 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.483 -5.883 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.816 -5.232 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.883 -4.363 -5.895 1.00 0.00 H new ATOM 594 N ASP A 40 -13.638 -3.856 0.381 1.00 0.00 N ATOM 595 CA ASP A 40 -13.872 -4.314 1.785 1.00 0.00 C ATOM 596 C ASP A 40 -14.194 -3.091 2.653 1.00 0.00 C ATOM 597 O ASP A 40 -13.353 -2.614 3.386 1.00 0.00 O ATOM 598 CB ASP A 40 -12.606 -5.000 2.317 1.00 0.00 C ATOM 599 CG ASP A 40 -12.154 -6.079 1.332 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.470 -5.737 0.381 1.00 0.00 O ATOM 601 OD2 ASP A 40 -12.500 -7.230 1.546 1.00 0.00 O ATOM 0 H ASP A 40 -13.313 -2.893 0.293 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.702 -5.020 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.813 -4.265 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.804 -5.444 3.293 1.00 0.00 H new ATOM 606 N PRO A 41 -15.402 -2.576 2.571 1.00 0.00 N ATOM 607 CA PRO A 41 -15.806 -1.386 3.376 1.00 0.00 C ATOM 608 C PRO A 41 -15.552 -1.618 4.871 1.00 0.00 C ATOM 609 O PRO A 41 -15.276 -0.701 5.619 1.00 0.00 O ATOM 610 CB PRO A 41 -17.318 -1.230 3.075 1.00 0.00 C ATOM 611 CG PRO A 41 -17.523 -1.913 1.753 1.00 0.00 C ATOM 612 CD PRO A 41 -16.503 -3.068 1.721 1.00 0.00 C ATOM 0 HA PRO A 41 -15.237 -0.492 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.925 -1.689 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.604 -0.179 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.542 -2.287 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.360 -1.223 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.930 -3.992 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.165 -3.277 0.706 1.00 0.00 H new ATOM 620 N SER A 42 -15.639 -2.847 5.299 1.00 0.00 N ATOM 621 CA SER A 42 -15.405 -3.166 6.733 1.00 0.00 C ATOM 622 C SER A 42 -13.926 -2.958 7.073 1.00 0.00 C ATOM 623 O SER A 42 -13.544 -2.938 8.225 1.00 0.00 O ATOM 624 CB SER A 42 -15.781 -4.629 6.983 1.00 0.00 C ATOM 625 OG SER A 42 -14.959 -5.461 6.177 1.00 0.00 O ATOM 0 H SER A 42 -15.864 -3.649 4.711 1.00 0.00 H new ATOM 0 HA SER A 42 -16.013 -2.512 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.650 -4.877 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.832 -4.794 6.745 1.00 0.00 H new ATOM 0 HG SER A 42 -15.192 -6.400 6.332 1.00 0.00 H new ATOM 631 N PHE A 43 -13.090 -2.801 6.081 1.00 0.00 N ATOM 632 CA PHE A 43 -11.638 -2.590 6.352 1.00 0.00 C ATOM 633 C PHE A 43 -11.437 -1.143 6.808 1.00 0.00 C ATOM 634 O PHE A 43 -11.803 -0.213 6.118 1.00 0.00 O ATOM 635 CB PHE A 43 -10.834 -2.853 5.073 1.00 0.00 C ATOM 636 CG PHE A 43 -9.350 -2.769 5.378 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.757 -3.741 6.194 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.565 -1.732 4.849 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.389 -3.679 6.483 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.197 -1.673 5.139 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.610 -2.644 5.956 1.00 0.00 C ATOM 0 H PHE A 43 -13.350 -2.810 5.095 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.295 -3.274 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.078 -3.837 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.100 -2.124 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.357 -4.541 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.017 -0.980 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.935 -4.430 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.594 -0.876 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.555 -2.595 6.180 1.00 0.00 H new ATOM 651 N ASP A 44 -10.871 -0.953 7.976 1.00 0.00 N ATOM 652 CA ASP A 44 -10.646 0.430 8.529 1.00 0.00 C ATOM 653 C ASP A 44 -9.125 0.686 8.648 1.00 0.00 C ATOM 654 O ASP A 44 -8.523 0.283 9.622 1.00 0.00 O ATOM 655 CB ASP A 44 -11.269 0.483 9.938 1.00 0.00 C ATOM 656 CG ASP A 44 -12.800 0.441 9.846 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.379 1.453 9.488 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.368 -0.599 10.146 1.00 0.00 O ATOM 0 H ASP A 44 -10.549 -1.707 8.582 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.095 1.180 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.911 -0.357 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.954 1.393 10.448 1.00 0.00 H new ATOM 663 N PRO A 45 -8.481 1.342 7.689 1.00 0.00 N ATOM 664 CA PRO A 45 -7.012 1.592 7.784 1.00 0.00 C ATOM 665 C PRO A 45 -6.699 2.679 8.819 1.00 0.00 C ATOM 666 O PRO A 45 -5.560 2.911 9.172 1.00 0.00 O ATOM 667 CB PRO A 45 -6.590 2.006 6.357 1.00 0.00 C ATOM 668 CG PRO A 45 -7.843 2.507 5.678 1.00 0.00 C ATOM 669 CD PRO A 45 -9.059 1.907 6.446 1.00 0.00 C ATOM 0 HA PRO A 45 -6.463 0.714 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.826 2.783 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.165 1.161 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.879 3.596 5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.861 2.202 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.803 2.672 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.558 1.138 5.857 1.00 0.00 H new ATOM 677 N ARG A 46 -7.710 3.312 9.334 1.00 0.00 N ATOM 678 CA ARG A 46 -7.483 4.351 10.368 1.00 0.00 C ATOM 679 C ARG A 46 -6.847 3.695 11.595 1.00 0.00 C ATOM 680 O ARG A 46 -5.938 4.228 12.196 1.00 0.00 O ATOM 681 CB ARG A 46 -8.828 4.993 10.725 1.00 0.00 C ATOM 682 CG ARG A 46 -9.290 5.867 9.555 1.00 0.00 C ATOM 683 CD ARG A 46 -10.705 6.391 9.804 1.00 0.00 C ATOM 684 NE ARG A 46 -10.857 6.845 11.228 1.00 0.00 N ATOM 685 CZ ARG A 46 -11.853 7.632 11.561 1.00 0.00 C ATOM 686 NH1 ARG A 46 -12.563 8.215 10.633 1.00 0.00 N ATOM 687 NH2 ARG A 46 -12.120 7.868 12.821 1.00 0.00 N ATOM 0 H ARG A 46 -8.686 3.154 9.083 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.812 5.126 9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.569 4.222 10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.730 5.595 11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.604 6.704 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.267 5.290 8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.916 7.219 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.432 5.609 9.586 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.187 6.542 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.343 8.059 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.337 8.827 10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.552 7.439 13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.896 8.481 13.072 1.00 0.00 H new ATOM 701 N ASN A 47 -7.314 2.536 11.959 1.00 0.00 N ATOM 702 CA ASN A 47 -6.729 1.837 13.137 1.00 0.00 C ATOM 703 C ASN A 47 -5.263 1.520 12.854 1.00 0.00 C ATOM 704 O ASN A 47 -4.425 1.594 13.727 1.00 0.00 O ATOM 705 CB ASN A 47 -7.480 0.531 13.405 1.00 0.00 C ATOM 706 CG ASN A 47 -8.957 0.834 13.643 1.00 0.00 C ATOM 707 OD1 ASN A 47 -9.294 1.680 14.447 1.00 0.00 O ATOM 708 ND2 ASN A 47 -9.858 0.173 12.973 1.00 0.00 N ATOM 0 H ASN A 47 -8.075 2.042 11.493 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.813 2.483 14.011 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.368 -0.146 12.558 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.056 0.027 14.274 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.848 0.366 13.123 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.573 -0.537 12.298 1.00 0.00 H new ATOM 715 N TRP A 48 -4.945 1.163 11.635 1.00 0.00 N ATOM 716 CA TRP A 48 -3.526 0.835 11.295 1.00 0.00 C ATOM 717 C TRP A 48 -2.753 2.130 11.042 1.00 0.00 C ATOM 718 O TRP A 48 -1.775 2.149 10.322 1.00 0.00 O ATOM 719 CB TRP A 48 -3.499 -0.037 10.036 1.00 0.00 C ATOM 720 CG TRP A 48 -4.215 -1.322 10.315 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.559 -1.478 10.303 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.653 -2.628 10.641 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.858 -2.793 10.608 1.00 0.00 N ATOM 724 CE2 TRP A 48 -4.720 -3.542 10.825 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.340 -3.104 10.801 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.490 -4.881 11.148 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.105 -4.451 11.126 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.179 -5.336 11.304 1.00 0.00 C ATOM 0 H TRP A 48 -5.605 1.084 10.861 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.063 0.295 12.121 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.974 0.486 9.206 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.469 -0.237 9.739 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.280 -0.703 10.090 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.806 -3.165 10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.506 -2.430 10.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.320 -5.560 11.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.092 -4.807 11.239 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.992 -6.368 11.561 1.00 0.00 H new ATOM 739 N GLY A 49 -3.184 3.213 11.632 1.00 0.00 N ATOM 740 CA GLY A 49 -2.472 4.509 11.431 1.00 0.00 C ATOM 741 C GLY A 49 -2.408 4.836 9.937 1.00 0.00 C ATOM 742 O GLY A 49 -1.570 4.330 9.219 1.00 0.00 O ATOM 0 H GLY A 49 -3.998 3.256 12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.989 5.306 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.465 4.450 11.844 1.00 0.00 H new ATOM 746 N HIS A 50 -3.289 5.676 9.461 1.00 0.00 N ATOM 747 CA HIS A 50 -3.291 6.036 8.009 1.00 0.00 C ATOM 748 C HIS A 50 -1.876 6.419 7.544 1.00 0.00 C ATOM 749 O HIS A 50 -1.528 6.237 6.393 1.00 0.00 O ATOM 750 CB HIS A 50 -4.233 7.221 7.785 1.00 0.00 C ATOM 751 CG HIS A 50 -3.769 8.387 8.613 1.00 0.00 C ATOM 752 ND1 HIS A 50 -3.969 8.446 9.982 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.103 9.539 8.281 1.00 0.00 C ATOM 754 CE1 HIS A 50 -3.432 9.599 10.422 1.00 0.00 C ATOM 755 NE2 HIS A 50 -2.891 10.304 9.424 1.00 0.00 N ATOM 0 H HIS A 50 -4.012 6.132 10.018 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.628 5.174 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.249 7.493 6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.252 6.948 8.060 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.790 9.811 7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.438 9.915 11.455 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.423 11.208 9.487 1.00 0.00 H new ATOM 763 N GLY A 51 -1.060 6.936 8.431 1.00 0.00 N ATOM 764 CA GLY A 51 0.341 7.325 8.054 1.00 0.00 C ATOM 765 C GLY A 51 1.286 6.180 8.423 1.00 0.00 C ATOM 766 O GLY A 51 2.012 5.663 7.598 1.00 0.00 O ATOM 0 H GLY A 51 -1.304 7.107 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.400 7.534 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.632 8.238 8.574 1.00 0.00 H new ATOM 770 N ARG A 52 1.269 5.774 9.663 1.00 0.00 N ATOM 771 CA ARG A 52 2.158 4.661 10.099 1.00 0.00 C ATOM 772 C ARG A 52 1.783 3.381 9.350 1.00 0.00 C ATOM 773 O ARG A 52 2.353 2.334 9.575 1.00 0.00 O ATOM 774 CB ARG A 52 1.977 4.429 11.596 1.00 0.00 C ATOM 775 CG ARG A 52 2.437 5.669 12.377 1.00 0.00 C ATOM 776 CD ARG A 52 2.129 5.503 13.877 1.00 0.00 C ATOM 777 NE ARG A 52 3.187 4.675 14.548 1.00 0.00 N ATOM 778 CZ ARG A 52 2.925 4.054 15.683 1.00 0.00 C ATOM 779 NH1 ARG A 52 1.695 3.970 16.113 1.00 0.00 N ATOM 780 NH2 ARG A 52 3.885 3.496 16.375 1.00 0.00 N ATOM 0 H ARG A 52 0.676 6.166 10.394 1.00 0.00 H new ATOM 0 HA ARG A 52 3.194 4.922 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.931 4.217 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.551 3.557 11.910 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.507 5.821 12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.935 6.556 11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.071 6.482 14.352 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.155 5.030 14.003 1.00 0.00 H new ATOM 0 HE ARG A 52 4.112 4.592 14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.936 4.384 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.493 3.490 16.990 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.847 3.538 16.039 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.671 3.019 17.251 1.00 0.00 H new ATOM 794 N LEU A 53 0.836 3.455 8.450 1.00 0.00 N ATOM 795 CA LEU A 53 0.446 2.237 7.684 1.00 0.00 C ATOM 796 C LEU A 53 1.672 1.751 6.918 1.00 0.00 C ATOM 797 O LEU A 53 1.956 0.572 6.869 1.00 0.00 O ATOM 798 CB LEU A 53 -0.681 2.601 6.705 1.00 0.00 C ATOM 799 CG LEU A 53 -1.087 1.405 5.821 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.551 0.208 6.679 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.233 1.855 4.903 1.00 0.00 C ATOM 0 H LEU A 53 0.319 4.302 8.214 1.00 0.00 H new ATOM 0 HA LEU A 53 0.091 1.452 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.549 2.949 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.358 3.427 6.071 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.225 1.082 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.831 -0.620 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.739 -0.105 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.411 0.503 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.538 1.024 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.080 2.177 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.896 2.684 4.280 1.00 0.00 H new ATOM 813 N SER A 54 2.411 2.655 6.335 1.00 0.00 N ATOM 814 CA SER A 54 3.628 2.245 5.586 1.00 0.00 C ATOM 815 C SER A 54 4.630 1.593 6.544 1.00 0.00 C ATOM 816 O SER A 54 5.446 0.789 6.143 1.00 0.00 O ATOM 817 CB SER A 54 4.275 3.468 4.933 1.00 0.00 C ATOM 818 OG SER A 54 5.359 3.042 4.120 1.00 0.00 O ATOM 0 H SER A 54 2.223 3.658 6.346 1.00 0.00 H new ATOM 0 HA SER A 54 3.344 1.531 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.542 4.005 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.628 4.160 5.698 1.00 0.00 H new ATOM 0 HG SER A 54 5.693 2.180 4.446 1.00 0.00 H new ATOM 824 N GLN A 55 4.580 1.929 7.809 1.00 0.00 N ATOM 825 CA GLN A 55 5.538 1.326 8.791 1.00 0.00 C ATOM 826 C GLN A 55 4.999 -0.022 9.293 1.00 0.00 C ATOM 827 O GLN A 55 5.754 -0.941 9.543 1.00 0.00 O ATOM 828 CB GLN A 55 5.706 2.283 9.973 1.00 0.00 C ATOM 829 CG GLN A 55 6.745 1.731 10.957 1.00 0.00 C ATOM 830 CD GLN A 55 7.040 2.786 12.026 1.00 0.00 C ATOM 831 OE1 GLN A 55 6.778 3.956 11.826 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.570 2.422 13.160 1.00 0.00 N ATOM 0 H GLN A 55 3.917 2.595 8.206 1.00 0.00 H new ATOM 0 HA GLN A 55 6.500 1.162 8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.019 3.264 9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.750 2.418 10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.373 0.819 11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.660 1.468 10.427 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.790 1.440 13.328 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.765 3.119 13.879 1.00 0.00 H new ATOM 841 N MET A 56 3.707 -0.155 9.443 1.00 0.00 N ATOM 842 CA MET A 56 3.143 -1.451 9.931 1.00 0.00 C ATOM 843 C MET A 56 3.394 -2.552 8.894 1.00 0.00 C ATOM 844 O MET A 56 3.775 -3.657 9.229 1.00 0.00 O ATOM 845 CB MET A 56 1.634 -1.290 10.160 1.00 0.00 C ATOM 846 CG MET A 56 1.393 -0.364 11.356 1.00 0.00 C ATOM 847 SD MET A 56 -0.384 -0.101 11.570 1.00 0.00 S ATOM 848 CE MET A 56 -0.272 1.219 12.801 1.00 0.00 C ATOM 0 H MET A 56 3.020 0.573 9.250 1.00 0.00 H new ATOM 0 HA MET A 56 3.628 -1.729 10.867 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.162 -0.879 9.268 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.178 -2.263 10.342 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.818 -0.802 12.259 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.896 0.590 11.197 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.205 1.274 13.362 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.551 1.010 13.485 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.094 2.170 12.299 1.00 0.00 H new ATOM 858 N VAL A 57 3.184 -2.264 7.640 1.00 0.00 N ATOM 859 CA VAL A 57 3.406 -3.297 6.587 1.00 0.00 C ATOM 860 C VAL A 57 4.883 -3.696 6.561 1.00 0.00 C ATOM 861 O VAL A 57 5.243 -4.747 6.069 1.00 0.00 O ATOM 862 CB VAL A 57 3.010 -2.729 5.219 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.505 -2.455 5.193 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.775 -1.424 4.966 1.00 0.00 C ATOM 0 H VAL A 57 2.868 -1.357 7.297 1.00 0.00 H new ATOM 0 HA VAL A 57 2.797 -4.173 6.809 1.00 0.00 H new ATOM 0 HB VAL A 57 3.258 -3.451 4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.225 -2.051 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.963 -3.384 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.253 -1.734 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.494 -1.020 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.529 -0.701 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.847 -1.622 4.980 1.00 0.00 H new ATOM 874 N LYS A 58 5.739 -2.863 7.083 1.00 0.00 N ATOM 875 CA LYS A 58 7.194 -3.190 7.089 1.00 0.00 C ATOM 876 C LYS A 58 7.455 -4.349 8.058 1.00 0.00 C ATOM 877 O LYS A 58 8.467 -5.017 7.983 1.00 0.00 O ATOM 878 CB LYS A 58 7.995 -1.956 7.524 1.00 0.00 C ATOM 879 CG LYS A 58 9.493 -2.210 7.313 1.00 0.00 C ATOM 880 CD LYS A 58 10.274 -0.936 7.636 1.00 0.00 C ATOM 881 CE LYS A 58 11.768 -1.180 7.413 1.00 0.00 C ATOM 882 NZ LYS A 58 12.014 -1.458 5.971 1.00 0.00 N ATOM 0 H LYS A 58 5.494 -1.968 7.507 1.00 0.00 H new ATOM 0 HA LYS A 58 7.505 -3.484 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.680 -1.085 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.798 -1.734 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.828 -3.027 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.680 -2.513 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.931 -0.117 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.094 -0.639 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.341 -0.309 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.105 -2.021 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.821 -0.891 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.225 -2.468 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.168 -1.209 5.420 1.00 0.00 H new ATOM 896 N LYS A 59 6.547 -4.590 8.976 1.00 0.00 N ATOM 897 CA LYS A 59 6.733 -5.698 9.971 1.00 0.00 C ATOM 898 C LYS A 59 6.209 -7.015 9.380 1.00 0.00 C ATOM 899 O LYS A 59 6.251 -8.052 10.014 1.00 0.00 O ATOM 900 CB LYS A 59 5.949 -5.350 11.255 1.00 0.00 C ATOM 901 CG LYS A 59 6.415 -6.228 12.430 1.00 0.00 C ATOM 902 CD LYS A 59 5.727 -5.767 13.717 1.00 0.00 C ATOM 903 CE LYS A 59 6.190 -6.644 14.882 1.00 0.00 C ATOM 904 NZ LYS A 59 7.659 -6.486 15.061 1.00 0.00 N ATOM 0 H LYS A 59 5.680 -4.064 9.080 1.00 0.00 H new ATOM 0 HA LYS A 59 7.791 -5.813 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.093 -4.298 11.501 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.882 -5.495 11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.178 -7.273 12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.497 -6.162 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.966 -4.722 13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.644 -5.831 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.668 -6.361 15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.946 -7.688 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.874 -6.354 16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.145 -7.337 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.987 -5.657 14.526 1.00 0.00 H new ATOM 918 N LEU A 60 5.715 -6.987 8.169 1.00 0.00 N ATOM 919 CA LEU A 60 5.186 -8.245 7.550 1.00 0.00 C ATOM 920 C LEU A 60 6.347 -9.008 6.898 1.00 0.00 C ATOM 921 O LEU A 60 6.185 -10.114 6.449 1.00 0.00 O ATOM 922 CB LEU A 60 4.142 -7.885 6.486 1.00 0.00 C ATOM 923 CG LEU A 60 2.945 -7.153 7.134 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.011 -6.631 6.032 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.153 -8.105 8.073 1.00 0.00 C ATOM 0 H LEU A 60 5.654 -6.154 7.583 1.00 0.00 H new ATOM 0 HA LEU A 60 4.722 -8.869 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.594 -7.252 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.796 -8.789 5.986 1.00 0.00 H new ATOM 0 HG LEU A 60 3.327 -6.322 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.166 -6.114 6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.557 -5.940 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.647 -7.468 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.316 -7.565 8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.776 -8.951 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.811 -8.467 8.863 1.00 0.00 H new ATOM 937 N ASP A 61 7.521 -8.427 6.881 1.00 0.00 N ATOM 938 CA ASP A 61 8.722 -9.107 6.291 1.00 0.00 C ATOM 939 C ASP A 61 8.500 -9.490 4.811 1.00 0.00 C ATOM 940 O ASP A 61 9.176 -8.987 3.938 1.00 0.00 O ATOM 941 CB ASP A 61 9.048 -10.366 7.107 1.00 0.00 C ATOM 942 CG ASP A 61 8.986 -10.032 8.598 1.00 0.00 C ATOM 943 OD1 ASP A 61 9.272 -8.896 8.944 1.00 0.00 O ATOM 944 OD2 ASP A 61 8.656 -10.916 9.370 1.00 0.00 O ATOM 0 H ASP A 61 7.703 -7.496 7.256 1.00 0.00 H new ATOM 0 HA ASP A 61 9.556 -8.406 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.340 -11.160 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.040 -10.736 6.846 1.00 0.00 H new ATOM 949 N PHE A 62 7.587 -10.388 4.517 1.00 0.00 N ATOM 950 CA PHE A 62 7.375 -10.801 3.091 1.00 0.00 C ATOM 951 C PHE A 62 6.893 -9.632 2.219 1.00 0.00 C ATOM 952 O PHE A 62 6.375 -9.838 1.141 1.00 0.00 O ATOM 953 CB PHE A 62 6.371 -11.962 3.005 1.00 0.00 C ATOM 954 CG PHE A 62 5.035 -11.558 3.593 1.00 0.00 C ATOM 955 CD1 PHE A 62 4.058 -10.962 2.781 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.771 -11.782 4.950 1.00 0.00 C ATOM 957 CE1 PHE A 62 2.825 -10.592 3.328 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.537 -11.409 5.495 1.00 0.00 C ATOM 959 CZ PHE A 62 2.565 -10.814 4.684 1.00 0.00 C ATOM 0 H PHE A 62 6.984 -10.850 5.198 1.00 0.00 H new ATOM 0 HA PHE A 62 8.341 -11.130 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.241 -12.261 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.762 -12.828 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.258 -10.789 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.520 -12.243 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.073 -10.134 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.335 -11.581 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.613 -10.526 5.105 1.00 0.00 H new ATOM 969 N LEU A 63 7.084 -8.409 2.656 1.00 0.00 N ATOM 970 CA LEU A 63 6.666 -7.217 1.840 1.00 0.00 C ATOM 971 C LEU A 63 7.792 -6.163 1.883 1.00 0.00 C ATOM 972 O LEU A 63 8.267 -5.783 2.934 1.00 0.00 O ATOM 973 CB LEU A 63 5.349 -6.629 2.419 1.00 0.00 C ATOM 974 CG LEU A 63 4.099 -7.355 1.828 1.00 0.00 C ATOM 975 CD1 LEU A 63 2.913 -7.238 2.793 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.685 -6.713 0.491 1.00 0.00 C ATOM 0 H LEU A 63 7.516 -8.181 3.552 1.00 0.00 H new ATOM 0 HA LEU A 63 6.490 -7.512 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.350 -6.727 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.294 -5.564 2.195 1.00 0.00 H new ATOM 0 HG LEU A 63 4.363 -8.401 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.048 -7.748 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.174 -7.696 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.674 -6.186 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.812 -7.231 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.441 -5.663 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.508 -6.790 -0.220 1.00 0.00 H new ATOM 988 N THR A 64 8.203 -5.688 0.734 1.00 0.00 N ATOM 989 CA THR A 64 9.279 -4.647 0.656 1.00 0.00 C ATOM 990 C THR A 64 8.618 -3.268 0.722 1.00 0.00 C ATOM 991 O THR A 64 7.565 -3.058 0.152 1.00 0.00 O ATOM 992 CB THR A 64 10.017 -4.794 -0.682 1.00 0.00 C ATOM 993 OG1 THR A 64 10.517 -6.118 -0.800 1.00 0.00 O ATOM 994 CG2 THR A 64 11.184 -3.806 -0.758 1.00 0.00 C ATOM 0 H THR A 64 7.833 -5.982 -0.170 1.00 0.00 H new ATOM 0 HA THR A 64 9.986 -4.764 1.477 1.00 0.00 H new ATOM 0 HB THR A 64 9.321 -4.584 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.119 -6.173 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.698 -3.922 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.805 -2.788 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.882 -4.004 0.056 1.00 0.00 H new ATOM 1002 N VAL A 65 9.219 -2.332 1.418 1.00 0.00 N ATOM 1003 CA VAL A 65 8.634 -0.953 1.545 1.00 0.00 C ATOM 1004 C VAL A 65 9.611 0.064 0.959 1.00 0.00 C ATOM 1005 O VAL A 65 10.787 0.056 1.263 1.00 0.00 O ATOM 1006 CB VAL A 65 8.412 -0.647 3.031 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.823 0.760 3.202 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.448 -1.682 3.618 1.00 0.00 C ATOM 0 H VAL A 65 10.102 -2.464 1.911 1.00 0.00 H new ATOM 0 HA VAL A 65 7.687 -0.898 1.008 1.00 0.00 H new ATOM 0 HB VAL A 65 9.368 -0.692 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.670 0.964 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.511 1.496 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.868 0.821 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.286 -1.470 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.497 -1.635 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.874 -2.679 3.509 1.00 0.00 H new ATOM 1018 N GLN A 66 9.131 0.946 0.121 1.00 0.00 N ATOM 1019 CA GLN A 66 10.012 1.987 -0.500 1.00 0.00 C ATOM 1020 C GLN A 66 9.227 3.296 -0.578 1.00 0.00 C ATOM 1021 O GLN A 66 8.016 3.293 -0.667 1.00 0.00 O ATOM 1022 CB GLN A 66 10.424 1.545 -1.912 1.00 0.00 C ATOM 1023 CG GLN A 66 11.347 0.325 -1.823 1.00 0.00 C ATOM 1024 CD GLN A 66 11.799 -0.092 -3.226 1.00 0.00 C ATOM 1025 OE1 GLN A 66 11.486 0.566 -4.199 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.530 -1.164 -3.376 1.00 0.00 N ATOM 0 H GLN A 66 8.153 0.992 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 66 10.912 2.123 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.539 1.301 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.933 2.361 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.215 0.559 -1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.826 -0.501 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.795 -1.719 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.836 -1.446 -4.307 1.00 0.00 H new ATOM 1035 N GLU A 67 9.910 4.414 -0.542 1.00 0.00 N ATOM 1036 CA GLU A 67 9.224 5.748 -0.609 1.00 0.00 C ATOM 1037 C GLU A 67 9.495 6.370 -1.976 1.00 0.00 C ATOM 1038 O GLU A 67 10.627 6.613 -2.344 1.00 0.00 O ATOM 1039 CB GLU A 67 9.786 6.652 0.496 1.00 0.00 C ATOM 1040 CG GLU A 67 9.374 6.095 1.863 1.00 0.00 C ATOM 1041 CD GLU A 67 10.004 6.925 2.988 1.00 0.00 C ATOM 1042 OE1 GLU A 67 10.719 7.865 2.680 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.759 6.604 4.139 1.00 0.00 O ATOM 0 H GLU A 67 10.926 4.462 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 67 8.149 5.632 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.872 6.702 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.411 7.668 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.288 6.108 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.689 5.055 1.949 1.00 0.00 H new ATOM 1050 N SER A 68 8.461 6.639 -2.735 1.00 0.00 N ATOM 1051 CA SER A 68 8.640 7.255 -4.085 1.00 0.00 C ATOM 1052 C SER A 68 8.569 8.773 -3.940 1.00 0.00 C ATOM 1053 O SER A 68 7.922 9.294 -3.054 1.00 0.00 O ATOM 1054 CB SER A 68 7.525 6.765 -5.016 1.00 0.00 C ATOM 1055 OG SER A 68 7.799 5.423 -5.398 1.00 0.00 O ATOM 0 H SER A 68 7.492 6.456 -2.474 1.00 0.00 H new ATOM 0 HA SER A 68 9.604 6.972 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.560 6.824 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.463 7.403 -5.898 1.00 0.00 H new ATOM 0 HG SER A 68 7.590 5.304 -6.348 1.00 0.00 H new ATOM 1061 N ARG A 69 9.241 9.484 -4.801 1.00 0.00 N ATOM 1062 CA ARG A 69 9.243 10.978 -4.728 1.00 0.00 C ATOM 1063 C ARG A 69 8.117 11.518 -5.606 1.00 0.00 C ATOM 1064 O ARG A 69 8.128 11.364 -6.807 1.00 0.00 O ATOM 1065 CB ARG A 69 10.608 11.471 -5.229 1.00 0.00 C ATOM 1066 CG ARG A 69 11.679 10.874 -4.310 1.00 0.00 C ATOM 1067 CD ARG A 69 13.104 11.221 -4.767 1.00 0.00 C ATOM 1068 NE ARG A 69 13.228 11.377 -6.267 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.435 11.297 -6.787 1.00 0.00 C ATOM 1070 NH1 ARG A 69 15.288 10.487 -6.240 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.753 11.921 -7.900 1.00 0.00 N ATOM 0 H ARG A 69 9.796 9.093 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 69 9.082 11.326 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.772 11.161 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.652 12.560 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.527 11.240 -3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.564 9.791 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.418 12.147 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.786 10.440 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 69 12.408 11.538 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.016 9.932 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.230 10.405 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.056 12.486 -8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.697 11.840 -8.278 1.00 0.00 H new ATOM 1085 N ASN A 70 7.128 12.140 -5.008 1.00 0.00 N ATOM 1086 CA ASN A 70 5.976 12.676 -5.804 1.00 0.00 C ATOM 1087 C ASN A 70 5.389 13.915 -5.116 1.00 0.00 C ATOM 1088 O ASN A 70 4.888 13.850 -4.008 1.00 0.00 O ATOM 1089 CB ASN A 70 4.893 11.589 -5.896 1.00 0.00 C ATOM 1090 CG ASN A 70 5.380 10.437 -6.784 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.906 10.662 -7.854 1.00 0.00 O ATOM 1092 ND2 ASN A 70 5.225 9.207 -6.377 1.00 0.00 N ATOM 0 H ASN A 70 7.068 12.300 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 70 6.321 12.954 -6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.655 11.216 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.976 12.012 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.546 8.433 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.783 9.019 -5.477 1.00 0.00 H new ATOM 1099 N GLY A 71 5.432 15.042 -5.770 1.00 0.00 N ATOM 1100 CA GLY A 71 4.856 16.277 -5.163 1.00 0.00 C ATOM 1101 C GLY A 71 5.513 16.545 -3.810 1.00 0.00 C ATOM 1102 O GLY A 71 6.475 15.905 -3.440 1.00 0.00 O ATOM 0 H GLY A 71 5.840 15.163 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.012 17.127 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.779 16.164 -5.038 1.00 0.00 H new ATOM 1106 N SER A 72 4.997 17.487 -3.069 1.00 0.00 N ATOM 1107 CA SER A 72 5.587 17.806 -1.734 1.00 0.00 C ATOM 1108 C SER A 72 5.133 16.766 -0.711 1.00 0.00 C ATOM 1109 O SER A 72 5.023 17.053 0.464 1.00 0.00 O ATOM 1110 CB SER A 72 5.103 19.187 -1.289 1.00 0.00 C ATOM 1111 OG SER A 72 5.544 20.160 -2.223 1.00 0.00 O ATOM 0 H SER A 72 4.189 18.053 -3.330 1.00 0.00 H new ATOM 0 HA SER A 72 6.675 17.797 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.015 19.199 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.488 19.418 -0.296 1.00 0.00 H new ATOM 0 HG SER A 72 5.234 21.047 -1.943 1.00 0.00 H new ATOM 1117 N LYS A 73 4.866 15.558 -1.145 1.00 0.00 N ATOM 1118 CA LYS A 73 4.413 14.491 -0.196 1.00 0.00 C ATOM 1119 C LYS A 73 4.986 13.147 -0.645 1.00 0.00 C ATOM 1120 O LYS A 73 4.721 12.680 -1.735 1.00 0.00 O ATOM 1121 CB LYS A 73 2.884 14.432 -0.198 1.00 0.00 C ATOM 1122 CG LYS A 73 2.399 13.440 0.861 1.00 0.00 C ATOM 1123 CD LYS A 73 0.872 13.455 0.906 1.00 0.00 C ATOM 1124 CE LYS A 73 0.386 12.477 1.977 1.00 0.00 C ATOM 1125 NZ LYS A 73 -1.101 12.506 2.038 1.00 0.00 N ATOM 0 H LYS A 73 4.942 15.264 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 73 4.763 14.714 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.473 15.421 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.524 14.131 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.757 12.437 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.806 13.705 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.513 14.460 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.466 13.178 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.732 11.469 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.806 12.745 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.432 11.841 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.420 13.467 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.492 12.230 1.114 1.00 0.00 H new ATOM 1139 N LEU A 74 5.768 12.526 0.188 1.00 0.00 N ATOM 1140 CA LEU A 74 6.357 11.209 -0.184 1.00 0.00 C ATOM 1141 C LEU A 74 5.221 10.183 -0.247 1.00 0.00 C ATOM 1142 O LEU A 74 4.397 10.107 0.642 1.00 0.00 O ATOM 1143 CB LEU A 74 7.395 10.796 0.875 1.00 0.00 C ATOM 1144 CG LEU A 74 8.671 11.677 0.784 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.478 11.547 2.083 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.570 11.227 -0.392 1.00 0.00 C ATOM 0 H LEU A 74 6.027 12.872 1.112 1.00 0.00 H new ATOM 0 HA LEU A 74 6.856 11.267 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.959 10.885 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.662 9.748 0.737 1.00 0.00 H new ATOM 0 HG LEU A 74 8.359 12.709 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.373 12.165 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.869 11.877 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.766 10.506 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.457 11.859 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.871 10.190 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.017 11.315 -1.327 1.00 0.00 H new ATOM 1158 N HIS A 75 5.173 9.398 -1.296 1.00 0.00 N ATOM 1159 CA HIS A 75 4.090 8.366 -1.448 1.00 0.00 C ATOM 1160 C HIS A 75 4.648 6.991 -1.074 1.00 0.00 C ATOM 1161 O HIS A 75 5.574 6.499 -1.684 1.00 0.00 O ATOM 1162 CB HIS A 75 3.621 8.353 -2.912 1.00 0.00 C ATOM 1163 CG HIS A 75 2.965 9.672 -3.242 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.519 9.981 -4.518 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.677 10.773 -2.470 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.989 11.220 -4.476 1.00 0.00 C ATOM 1167 NE2 HIS A 75 2.062 11.746 -3.252 1.00 0.00 N ATOM 0 H HIS A 75 5.844 9.426 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 75 3.250 8.604 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.469 8.180 -3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.919 7.535 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.895 10.868 -1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.558 11.725 -5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.736 12.665 -2.953 1.00 0.00 H new ATOM 1175 N SER A 76 4.087 6.369 -0.074 1.00 0.00 N ATOM 1176 CA SER A 76 4.578 5.027 0.346 1.00 0.00 C ATOM 1177 C SER A 76 4.183 3.991 -0.704 1.00 0.00 C ATOM 1178 O SER A 76 3.172 4.119 -1.364 1.00 0.00 O ATOM 1179 CB SER A 76 3.947 4.656 1.690 1.00 0.00 C ATOM 1180 OG SER A 76 4.146 3.271 1.940 1.00 0.00 O ATOM 0 H SER A 76 3.307 6.734 0.472 1.00 0.00 H new ATOM 0 HA SER A 76 5.663 5.049 0.445 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.393 5.248 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.881 4.885 1.679 1.00 0.00 H new ATOM 0 HG SER A 76 4.872 3.157 2.588 1.00 0.00 H new ATOM 1186 N GLU A 77 4.974 2.957 -0.859 1.00 0.00 N ATOM 1187 CA GLU A 77 4.660 1.887 -1.860 1.00 0.00 C ATOM 1188 C GLU A 77 5.027 0.530 -1.255 1.00 0.00 C ATOM 1189 O GLU A 77 5.945 0.428 -0.464 1.00 0.00 O ATOM 1190 CB GLU A 77 5.481 2.107 -3.136 1.00 0.00 C ATOM 1191 CG GLU A 77 5.026 3.387 -3.841 1.00 0.00 C ATOM 1192 CD GLU A 77 5.843 3.598 -5.122 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.715 2.786 -5.394 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.576 4.565 -5.816 1.00 0.00 O ATOM 0 H GLU A 77 5.833 2.807 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 77 3.599 1.918 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.540 2.176 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.365 1.254 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.965 3.322 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.149 4.242 -3.176 1.00 0.00 H new ATOM 1201 N ILE A 78 4.317 -0.510 -1.620 1.00 0.00 N ATOM 1202 CA ILE A 78 4.609 -1.879 -1.074 1.00 0.00 C ATOM 1203 C ILE A 78 4.623 -2.898 -2.222 1.00 0.00 C ATOM 1204 O ILE A 78 3.896 -2.777 -3.187 1.00 0.00 O ATOM 1205 CB ILE A 78 3.508 -2.258 -0.069 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.126 -2.004 -0.695 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.649 -1.408 1.196 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.032 -2.576 0.209 1.00 0.00 C ATOM 0 H ILE A 78 3.540 -0.471 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 78 5.581 -1.880 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 78 3.607 -3.313 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.972 -0.934 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.073 -2.466 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.867 -1.679 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.626 -1.585 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.555 -0.353 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.056 -2.393 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.181 -3.649 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.078 -2.094 1.186 1.00 0.00 H new ATOM 1220 N ARG A 79 5.439 -3.911 -2.116 1.00 0.00 N ATOM 1221 CA ARG A 79 5.495 -4.950 -3.191 1.00 0.00 C ATOM 1222 C ARG A 79 6.069 -6.225 -2.587 1.00 0.00 C ATOM 1223 O ARG A 79 6.808 -6.186 -1.620 1.00 0.00 O ATOM 1224 CB ARG A 79 6.390 -4.468 -4.335 1.00 0.00 C ATOM 1225 CG ARG A 79 6.328 -5.454 -5.514 1.00 0.00 C ATOM 1226 CD ARG A 79 7.238 -4.954 -6.649 1.00 0.00 C ATOM 1227 NE ARG A 79 6.861 -5.615 -7.947 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.747 -5.757 -8.910 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.014 -5.560 -8.668 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.373 -6.121 -10.108 1.00 0.00 N ATOM 0 H ARG A 79 6.072 -4.067 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 79 4.497 -5.136 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.071 -3.478 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.418 -4.372 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.644 -6.445 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.302 -5.547 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.151 -3.872 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.280 -5.170 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 79 5.909 -5.956 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.319 -5.296 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.699 -5.671 -9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.388 -6.298 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.067 -6.229 -10.848 1.00 0.00 H new ATOM 1244 N LEU A 80 5.744 -7.349 -3.142 1.00 0.00 N ATOM 1245 CA LEU A 80 6.277 -8.621 -2.597 1.00 0.00 C ATOM 1246 C LEU A 80 7.793 -8.639 -2.790 1.00 0.00 C ATOM 1247 O LEU A 80 8.300 -8.264 -3.828 1.00 0.00 O ATOM 1248 CB LEU A 80 5.640 -9.792 -3.344 1.00 0.00 C ATOM 1249 CG LEU A 80 4.108 -9.686 -3.292 1.00 0.00 C ATOM 1250 CD1 LEU A 80 3.505 -10.822 -4.121 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.604 -9.788 -1.833 1.00 0.00 C ATOM 0 H LEU A 80 5.131 -7.445 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 80 6.044 -8.707 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.976 -9.797 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.962 -10.734 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 80 3.803 -8.721 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.417 -10.757 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.845 -10.739 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.822 -11.780 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.517 -9.711 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.906 -10.746 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.034 -8.979 -1.242 1.00 0.00 H new ATOM 1263 N ARG A 81 8.518 -9.065 -1.794 1.00 0.00 N ATOM 1264 CA ARG A 81 10.003 -9.100 -1.913 1.00 0.00 C ATOM 1265 C ARG A 81 10.418 -10.132 -2.963 1.00 0.00 C ATOM 1266 O ARG A 81 11.479 -10.047 -3.545 1.00 0.00 O ATOM 1267 CB ARG A 81 10.612 -9.474 -0.555 1.00 0.00 C ATOM 1268 CG ARG A 81 10.021 -10.807 -0.060 1.00 0.00 C ATOM 1269 CD ARG A 81 10.713 -11.250 1.239 1.00 0.00 C ATOM 1270 NE ARG A 81 12.056 -11.833 0.944 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.909 -12.020 1.924 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.637 -11.566 3.121 1.00 0.00 N ATOM 1273 NH2 ARG A 81 14.029 -12.653 1.711 1.00 0.00 N ATOM 0 H ARG A 81 8.147 -9.391 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 81 10.363 -8.118 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.695 -9.558 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.412 -8.686 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.950 -10.696 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.145 -11.573 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.820 -10.398 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.096 -11.986 1.754 1.00 0.00 H new ATOM 0 HE ARG A 81 12.308 -12.084 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.763 -11.068 3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.299 -11.710 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.246 -13.006 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.688 -12.795 2.476 1.00 0.00 H new