USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 38 HIS : no HD1:sc= -0.159 X(o=-1.4,f=-1.5) USER MOD Set 1.2: A 68 HIS :FLIP no HE2:sc= -1.21 F(o=-2.6!,f=-1.4) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -1.36 K(o=-1.5,f=-4.6) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.175 X(o=-1.5,f=-2!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.00298 X(o=0.003,f=-0.0092) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -29:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -3:sc= 0.331 USER MOD Single : A 43 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 44 TYR OH : rot 90:sc= 0 USER MOD Single : A 46 SER OG : rot 85:sc= -0.895 USER MOD Single : A 49 MET CE :methyl 158:sc= -4.84! (180deg=-6.91!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.1!) USER MOD Single : A 58 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 67 SER OG : rot -38:sc= 0.762 USER MOD Single : A 69 MET CE :methyl -160:sc= -1.13 (180deg=-2.03) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.218 F(o=-0.74,f=-0.22) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.864 18.457 0.911 1.00 0.00 N ATOM 99 CA GLY A 10 -6.262 18.121 -0.443 1.00 0.00 C ATOM 100 C GLY A 10 -5.615 16.842 -0.937 1.00 0.00 C ATOM 101 O GLY A 10 -6.264 15.805 -1.071 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.346 18.016 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.996 18.941 -1.111 1.00 0.00 H new ATOM 105 N PRO A 11 -4.305 16.907 -1.218 1.00 0.00 N ATOM 106 CA PRO A 11 -3.542 15.755 -1.705 1.00 0.00 C ATOM 107 C PRO A 11 -3.359 14.685 -0.633 1.00 0.00 C ATOM 108 O PRO A 11 -2.950 13.561 -0.926 1.00 0.00 O ATOM 109 CB PRO A 11 -2.190 16.362 -2.091 1.00 0.00 C ATOM 110 CG PRO A 11 -2.070 17.584 -1.248 1.00 0.00 C ATOM 111 CD PRO A 11 -3.468 18.111 -1.080 1.00 0.00 C ATOM 0 HA PRO A 11 -4.048 15.249 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.374 15.666 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.155 16.608 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.623 17.349 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.428 18.325 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.604 18.586 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.710 18.857 -1.837 1.00 0.00 H new ATOM 119 N LEU A 12 -3.664 15.042 0.610 1.00 0.00 N ATOM 120 CA LEU A 12 -3.534 14.112 1.726 1.00 0.00 C ATOM 121 C LEU A 12 -4.669 13.093 1.722 1.00 0.00 C ATOM 122 O LEU A 12 -4.440 11.896 1.557 1.00 0.00 O ATOM 123 CB LEU A 12 -3.523 14.875 3.052 1.00 0.00 C ATOM 124 CG LEU A 12 -2.184 15.489 3.463 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.387 16.537 4.546 1.00 0.00 C ATOM 126 CD2 LEU A 12 -1.225 14.407 3.939 1.00 0.00 C ATOM 0 H LEU A 12 -4.003 15.968 0.870 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.591 13.577 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.263 15.673 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.846 14.196 3.841 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.747 15.977 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.423 16.963 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.037 17.327 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.846 16.074 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.277 14.862 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.656 13.891 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.054 13.692 3.134 1.00 0.00 H new ATOM 138 N ASN A 13 -5.893 13.578 1.902 1.00 0.00 N ATOM 139 CA ASN A 13 -7.064 12.710 1.917 1.00 0.00 C ATOM 140 C ASN A 13 -7.140 11.876 0.641 1.00 0.00 C ATOM 141 O ASN A 13 -7.495 10.697 0.677 1.00 0.00 O ATOM 142 CB ASN A 13 -8.340 13.541 2.072 1.00 0.00 C ATOM 143 CG ASN A 13 -9.500 12.726 2.609 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.376 12.301 1.856 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.510 12.503 3.918 1.00 0.00 N ATOM 0 H ASN A 13 -6.099 14.567 2.039 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.973 12.034 2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.146 14.378 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.614 13.965 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.265 11.960 4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.763 12.875 4.504 1.00 0.00 H new ATOM 152 N LEU A 14 -6.803 12.495 -0.485 1.00 0.00 N ATOM 153 CA LEU A 14 -6.831 11.811 -1.772 1.00 0.00 C ATOM 154 C LEU A 14 -5.871 10.626 -1.780 1.00 0.00 C ATOM 155 O LEU A 14 -6.061 9.664 -2.525 1.00 0.00 O ATOM 156 CB LEU A 14 -6.469 12.782 -2.897 1.00 0.00 C ATOM 157 CG LEU A 14 -7.490 13.883 -3.187 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.820 15.067 -3.867 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.625 13.344 -4.047 1.00 0.00 C ATOM 0 H LEU A 14 -6.507 13.470 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.842 11.438 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.517 13.252 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.315 12.207 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.908 14.223 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.562 15.840 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.043 15.468 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.374 14.742 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.342 14.141 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.223 12.976 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.123 12.529 -3.523 1.00 0.00 H new ATOM 171 N ALA A 15 -4.839 10.701 -0.945 1.00 0.00 N ATOM 172 CA ALA A 15 -3.852 9.633 -0.853 1.00 0.00 C ATOM 173 C ALA A 15 -4.306 8.547 0.117 1.00 0.00 C ATOM 174 O ALA A 15 -3.731 7.459 0.161 1.00 0.00 O ATOM 175 CB ALA A 15 -2.504 10.195 -0.426 1.00 0.00 C ATOM 0 H ALA A 15 -4.665 11.490 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.749 9.182 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.776 9.386 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.167 10.928 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.602 10.674 0.548 1.00 0.00 H new ATOM 181 N HIS A 16 -5.340 8.851 0.895 1.00 0.00 N ATOM 182 CA HIS A 16 -5.871 7.900 1.866 1.00 0.00 C ATOM 183 C HIS A 16 -6.782 6.882 1.187 1.00 0.00 C ATOM 184 O HIS A 16 -6.791 5.706 1.549 1.00 0.00 O ATOM 185 CB HIS A 16 -6.639 8.636 2.964 1.00 0.00 C ATOM 186 CG HIS A 16 -5.807 9.629 3.715 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.309 10.421 4.725 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.498 9.954 3.599 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.346 11.192 5.197 1.00 0.00 C ATOM 190 NE2 HIS A 16 -4.236 10.928 4.531 1.00 0.00 N ATOM 0 H HIS A 16 -5.827 9.747 0.872 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.031 7.368 2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.490 9.151 2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.041 7.906 3.667 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.274 10.413 5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.791 9.527 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.449 11.915 5.992 1.00 0.00 H new ATOM 199 N GLN A 17 -7.547 7.343 0.202 1.00 0.00 N ATOM 200 CA GLN A 17 -8.462 6.471 -0.526 1.00 0.00 C ATOM 201 C GLN A 17 -7.725 5.266 -1.100 1.00 0.00 C ATOM 202 O GLN A 17 -8.318 4.209 -1.313 1.00 0.00 O ATOM 203 CB GLN A 17 -9.151 7.246 -1.651 1.00 0.00 C ATOM 204 CG GLN A 17 -8.314 7.356 -2.915 1.00 0.00 C ATOM 205 CD GLN A 17 -9.079 7.970 -4.070 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.123 7.461 -4.479 1.00 0.00 O ATOM 207 NE2 GLN A 17 -8.563 9.072 -4.604 1.00 0.00 N ATOM 0 H GLN A 17 -7.551 8.314 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.217 6.112 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.095 6.758 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.392 8.248 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.429 7.959 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.964 6.364 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.695 9.460 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.035 9.530 -5.384 1.00 0.00 H new ATOM 216 N GLN A 18 -6.430 5.433 -1.349 1.00 0.00 N ATOM 217 CA GLN A 18 -5.613 4.358 -1.899 1.00 0.00 C ATOM 218 C GLN A 18 -5.006 3.511 -0.786 1.00 0.00 C ATOM 219 O GLN A 18 -5.151 2.289 -0.772 1.00 0.00 O ATOM 220 CB GLN A 18 -4.504 4.933 -2.782 1.00 0.00 C ATOM 221 CG GLN A 18 -4.998 5.956 -3.791 1.00 0.00 C ATOM 222 CD GLN A 18 -4.145 6.000 -5.044 1.00 0.00 C ATOM 223 OE1 GLN A 18 -3.269 6.855 -5.182 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.396 5.077 -5.964 1.00 0.00 N ATOM 0 H GLN A 18 -5.924 6.302 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.256 3.720 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.749 5.397 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.015 4.117 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.027 5.723 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.007 6.943 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.131 4.388 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.853 5.057 -6.827 1.00 0.00 H new ATOM 233 N SER A 19 -4.324 4.169 0.147 1.00 0.00 N ATOM 234 CA SER A 19 -3.690 3.476 1.262 1.00 0.00 C ATOM 235 C SER A 19 -4.673 2.525 1.940 1.00 0.00 C ATOM 236 O SER A 19 -4.301 1.433 2.369 1.00 0.00 O ATOM 237 CB SER A 19 -3.156 4.485 2.280 1.00 0.00 C ATOM 238 OG SER A 19 -2.533 3.829 3.370 1.00 0.00 O ATOM 0 H SER A 19 -4.197 5.181 0.152 1.00 0.00 H new ATOM 0 HA SER A 19 -2.858 2.892 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.442 5.151 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.974 5.106 2.645 1.00 0.00 H new ATOM 0 HG SER A 19 -2.199 4.496 4.006 1.00 0.00 H new ATOM 244 N ARG A 20 -5.929 2.949 2.031 1.00 0.00 N ATOM 245 CA ARG A 20 -6.966 2.138 2.657 1.00 0.00 C ATOM 246 C ARG A 20 -7.173 0.835 1.890 1.00 0.00 C ATOM 247 O ARG A 20 -7.442 -0.210 2.483 1.00 0.00 O ATOM 248 CB ARG A 20 -8.281 2.916 2.726 1.00 0.00 C ATOM 249 CG ARG A 20 -8.861 3.255 1.362 1.00 0.00 C ATOM 250 CD ARG A 20 -10.255 3.850 1.481 1.00 0.00 C ATOM 251 NE ARG A 20 -10.243 5.139 2.167 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.313 5.674 2.745 1.00 0.00 C ATOM 253 NH1 ARG A 20 -12.473 5.033 2.721 1.00 0.00 N ATOM 254 NH2 ARG A 20 -11.222 6.852 3.350 1.00 0.00 N ATOM 0 H ARG A 20 -6.253 3.850 1.679 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.642 1.897 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.010 2.331 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.118 3.839 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.205 3.961 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.900 2.355 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.683 3.973 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.900 3.157 2.022 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.365 5.657 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.546 4.127 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.293 5.446 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.330 7.347 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.044 7.262 3.794 1.00 0.00 H new ATOM 268 N ARG A 21 -7.047 0.905 0.569 1.00 0.00 N ATOM 269 CA ARG A 21 -7.223 -0.268 -0.279 1.00 0.00 C ATOM 270 C ARG A 21 -6.151 -1.314 0.013 1.00 0.00 C ATOM 271 O ARG A 21 -6.454 -2.493 0.196 1.00 0.00 O ATOM 272 CB ARG A 21 -7.172 0.131 -1.755 1.00 0.00 C ATOM 273 CG ARG A 21 -7.120 -1.054 -2.705 1.00 0.00 C ATOM 274 CD ARG A 21 -7.486 -0.647 -4.123 1.00 0.00 C ATOM 275 NE ARG A 21 -7.562 -1.798 -5.020 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.979 -1.722 -6.279 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.354 -0.556 -6.788 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.020 -2.813 -7.032 1.00 0.00 N ATOM 0 H ARG A 21 -6.824 1.762 0.063 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.199 -0.701 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.048 0.736 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.297 0.759 -1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.119 -1.485 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.804 -1.829 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.445 -0.129 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.746 0.059 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.279 -2.710 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.323 0.285 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.674 -0.501 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.731 -3.711 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.340 -2.754 -7.999 1.00 0.00 H new ATOM 292 N ALA A 22 -4.898 -0.875 0.055 1.00 0.00 N ATOM 293 CA ALA A 22 -3.782 -1.773 0.326 1.00 0.00 C ATOM 294 C ALA A 22 -4.082 -2.678 1.516 1.00 0.00 C ATOM 295 O ALA A 22 -3.873 -3.889 1.455 1.00 0.00 O ATOM 296 CB ALA A 22 -2.511 -0.975 0.574 1.00 0.00 C ATOM 0 H ALA A 22 -4.630 0.098 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.636 -2.405 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.686 -1.658 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.280 -0.376 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.655 -0.318 1.432 1.00 0.00 H new ATOM 302 N ASP A 23 -4.572 -2.082 2.597 1.00 0.00 N ATOM 303 CA ASP A 23 -4.901 -2.834 3.802 1.00 0.00 C ATOM 304 C ASP A 23 -5.870 -3.969 3.486 1.00 0.00 C ATOM 305 O ASP A 23 -5.555 -5.142 3.688 1.00 0.00 O ATOM 306 CB ASP A 23 -5.507 -1.909 4.858 1.00 0.00 C ATOM 307 CG ASP A 23 -6.174 -2.673 5.984 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.450 -3.210 6.848 1.00 0.00 O ATOM 309 OD2 ASP A 23 -7.421 -2.734 6.002 1.00 0.00 O ATOM 0 H ASP A 23 -4.750 -1.080 2.664 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.980 -3.265 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.725 -1.271 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.238 -1.253 4.385 1.00 0.00 H new ATOM 314 N ARG A 24 -7.051 -3.612 2.991 1.00 0.00 N ATOM 315 CA ARG A 24 -8.067 -4.599 2.650 1.00 0.00 C ATOM 316 C ARG A 24 -7.489 -5.683 1.744 1.00 0.00 C ATOM 317 O ARG A 24 -7.895 -6.844 1.810 1.00 0.00 O ATOM 318 CB ARG A 24 -9.254 -3.924 1.961 1.00 0.00 C ATOM 319 CG ARG A 24 -10.321 -3.436 2.927 1.00 0.00 C ATOM 320 CD ARG A 24 -11.326 -4.532 3.248 1.00 0.00 C ATOM 321 NE ARG A 24 -12.493 -4.014 3.956 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.489 -4.779 4.389 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.459 -6.089 4.188 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.518 -4.233 5.025 1.00 0.00 N ATOM 0 H ARG A 24 -7.327 -2.646 2.817 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.409 -5.065 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.891 -3.079 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.704 -4.627 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.850 -3.092 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.840 -2.580 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.647 -5.012 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.845 -5.299 3.855 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.546 -3.010 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.670 -6.512 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.225 -6.674 4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.544 -3.225 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.282 -4.821 5.357 1.00 0.00 H new ATOM 338 N LEU A 25 -6.541 -5.296 0.898 1.00 0.00 N ATOM 339 CA LEU A 25 -5.907 -6.234 -0.022 1.00 0.00 C ATOM 340 C LEU A 25 -4.957 -7.168 0.720 1.00 0.00 C ATOM 341 O LEU A 25 -4.828 -8.343 0.375 1.00 0.00 O ATOM 342 CB LEU A 25 -5.147 -5.475 -1.112 1.00 0.00 C ATOM 343 CG LEU A 25 -5.975 -5.013 -2.311 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.181 -4.035 -3.163 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.422 -6.207 -3.142 1.00 0.00 C ATOM 0 H LEU A 25 -6.194 -4.339 0.830 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.690 -6.835 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.681 -4.600 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.342 -6.113 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.863 -4.501 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.786 -3.717 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.912 -3.165 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.275 -4.521 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.010 -5.859 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.547 -6.747 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.030 -6.871 -2.527 1.00 0.00 H new ATOM 357 N LEU A 26 -4.296 -6.638 1.744 1.00 0.00 N ATOM 358 CA LEU A 26 -3.358 -7.425 2.538 1.00 0.00 C ATOM 359 C LEU A 26 -4.090 -8.499 3.337 1.00 0.00 C ATOM 360 O LEU A 26 -3.553 -9.580 3.579 1.00 0.00 O ATOM 361 CB LEU A 26 -2.573 -6.516 3.484 1.00 0.00 C ATOM 362 CG LEU A 26 -2.036 -7.174 4.756 1.00 0.00 C ATOM 363 CD1 LEU A 26 -0.976 -8.209 4.415 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.474 -6.123 5.703 1.00 0.00 C ATOM 0 H LEU A 26 -4.392 -5.668 2.044 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.664 -7.915 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.732 -6.093 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.215 -5.684 3.773 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.861 -7.681 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.606 -8.666 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.410 -8.978 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.151 -7.726 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.096 -6.609 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.662 -5.587 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.261 -5.419 5.974 1.00 0.00 H new ATOM 376 N ALA A 27 -5.318 -8.194 3.743 1.00 0.00 N ATOM 377 CA ALA A 27 -6.125 -9.134 4.510 1.00 0.00 C ATOM 378 C ALA A 27 -6.532 -10.332 3.658 1.00 0.00 C ATOM 379 O ALA A 27 -6.668 -11.446 4.162 1.00 0.00 O ATOM 380 CB ALA A 27 -7.357 -8.439 5.070 1.00 0.00 C ATOM 0 H ALA A 27 -5.776 -7.302 3.553 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.520 -9.500 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.950 -9.154 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.049 -7.621 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.956 -8.043 4.250 1.00 0.00 H new ATOM 386 N ALA A 28 -6.726 -10.093 2.365 1.00 0.00 N ATOM 387 CA ALA A 28 -7.116 -11.152 1.443 1.00 0.00 C ATOM 388 C ALA A 28 -5.893 -11.816 0.819 1.00 0.00 C ATOM 389 O ALA A 28 -5.990 -12.467 -0.220 1.00 0.00 O ATOM 390 CB ALA A 28 -8.029 -10.599 0.359 1.00 0.00 C ATOM 0 H ALA A 28 -6.619 -9.175 1.933 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.659 -11.909 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.312 -11.401 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.924 -10.179 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.505 -9.820 -0.195 1.00 0.00 H new ATOM 396 N GLY A 29 -4.741 -11.646 1.461 1.00 0.00 N ATOM 397 CA GLY A 29 -3.515 -12.234 0.954 1.00 0.00 C ATOM 398 C GLY A 29 -3.045 -11.576 -0.328 1.00 0.00 C ATOM 399 O GLY A 29 -2.122 -12.063 -0.983 1.00 0.00 O ATOM 0 H GLY A 29 -4.635 -11.111 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.735 -12.149 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.672 -13.298 0.777 1.00 0.00 H new ATOM 403 N LYS A 30 -3.680 -10.466 -0.690 1.00 0.00 N ATOM 404 CA LYS A 30 -3.322 -9.740 -1.902 1.00 0.00 C ATOM 405 C LYS A 30 -2.151 -8.797 -1.646 1.00 0.00 C ATOM 406 O LYS A 30 -2.277 -7.581 -1.790 1.00 0.00 O ATOM 407 CB LYS A 30 -4.524 -8.948 -2.421 1.00 0.00 C ATOM 408 CG LYS A 30 -5.822 -9.737 -2.412 1.00 0.00 C ATOM 409 CD LYS A 30 -6.039 -10.468 -3.727 1.00 0.00 C ATOM 410 CE LYS A 30 -6.813 -9.612 -4.719 1.00 0.00 C ATOM 411 NZ LYS A 30 -6.650 -10.099 -6.117 1.00 0.00 N ATOM 0 H LYS A 30 -4.446 -10.050 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.021 -10.468 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.649 -8.052 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.318 -8.616 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.806 -10.456 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.658 -9.062 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.075 -10.742 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.582 -11.395 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.870 -9.615 -4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.471 -8.579 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.192 -9.490 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.644 -10.072 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.000 -11.076 -6.187 1.00 0.00 H new ATOM 425 N TYR A 31 -1.012 -9.365 -1.267 1.00 0.00 N ATOM 426 CA TYR A 31 0.182 -8.575 -0.990 1.00 0.00 C ATOM 427 C TYR A 31 0.550 -7.705 -2.188 1.00 0.00 C ATOM 428 O TYR A 31 0.541 -6.478 -2.104 1.00 0.00 O ATOM 429 CB TYR A 31 1.354 -9.490 -0.631 1.00 0.00 C ATOM 430 CG TYR A 31 1.138 -10.279 0.641 1.00 0.00 C ATOM 431 CD1 TYR A 31 1.504 -9.757 1.875 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.570 -11.547 0.608 1.00 0.00 C ATOM 433 CE1 TYR A 31 1.310 -10.475 3.040 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.371 -12.270 1.768 1.00 0.00 C ATOM 435 CZ TYR A 31 0.742 -11.730 2.981 1.00 0.00 C ATOM 436 OH TYR A 31 0.547 -12.449 4.138 1.00 0.00 O ATOM 0 H TYR A 31 -0.890 -10.370 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.034 -7.924 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.528 -10.183 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.256 -8.887 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.948 -8.774 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.279 -11.974 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.602 -10.055 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.073 -13.254 1.725 1.00 0.00 H new ATOM 0 HH TYR A 31 0.136 -13.312 3.922 1.00 0.00 H new ATOM 446 N GLU A 32 0.873 -8.352 -3.304 1.00 0.00 N ATOM 447 CA GLU A 32 1.244 -7.639 -4.520 1.00 0.00 C ATOM 448 C GLU A 32 0.236 -6.537 -4.834 1.00 0.00 C ATOM 449 O GLU A 32 0.592 -5.363 -4.921 1.00 0.00 O ATOM 450 CB GLU A 32 1.339 -8.610 -5.699 1.00 0.00 C ATOM 451 CG GLU A 32 0.495 -9.861 -5.526 1.00 0.00 C ATOM 452 CD GLU A 32 0.236 -10.576 -6.838 1.00 0.00 C ATOM 453 OE1 GLU A 32 1.191 -10.727 -7.629 1.00 0.00 O ATOM 454 OE2 GLU A 32 -0.921 -10.983 -7.075 1.00 0.00 O ATOM 0 H GLU A 32 0.885 -9.368 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 32 2.219 -7.180 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.029 -8.095 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.381 -8.901 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.997 -10.542 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.457 -9.592 -5.069 1.00 0.00 H new ATOM 461 N GLU A 33 -1.024 -6.927 -5.003 1.00 0.00 N ATOM 462 CA GLU A 33 -2.083 -5.973 -5.308 1.00 0.00 C ATOM 463 C GLU A 33 -1.891 -4.677 -4.525 1.00 0.00 C ATOM 464 O GLU A 33 -2.192 -3.591 -5.019 1.00 0.00 O ATOM 465 CB GLU A 33 -3.452 -6.577 -4.988 1.00 0.00 C ATOM 466 CG GLU A 33 -3.825 -7.748 -5.882 1.00 0.00 C ATOM 467 CD GLU A 33 -4.341 -7.305 -7.238 1.00 0.00 C ATOM 468 OE1 GLU A 33 -5.427 -6.691 -7.287 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.658 -7.573 -8.249 1.00 0.00 O ATOM 0 H GLU A 33 -1.335 -7.896 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.035 -5.744 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.460 -6.907 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.213 -5.802 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.953 -8.387 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.586 -8.350 -5.387 1.00 0.00 H new ATOM 476 N ALA A 34 -1.389 -4.801 -3.301 1.00 0.00 N ATOM 477 CA ALA A 34 -1.155 -3.641 -2.450 1.00 0.00 C ATOM 478 C ALA A 34 0.180 -2.981 -2.777 1.00 0.00 C ATOM 479 O ALA A 34 0.279 -1.755 -2.834 1.00 0.00 O ATOM 480 CB ALA A 34 -1.202 -4.045 -0.984 1.00 0.00 C ATOM 0 H ALA A 34 -1.136 -5.693 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.945 -2.915 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.026 -3.169 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.181 -4.464 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.433 -4.792 -0.788 1.00 0.00 H new ATOM 486 N ILE A 35 1.204 -3.801 -2.990 1.00 0.00 N ATOM 487 CA ILE A 35 2.532 -3.295 -3.311 1.00 0.00 C ATOM 488 C ILE A 35 2.459 -2.174 -4.342 1.00 0.00 C ATOM 489 O ILE A 35 2.948 -1.068 -4.108 1.00 0.00 O ATOM 490 CB ILE A 35 3.445 -4.413 -3.849 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.593 -5.525 -2.809 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.807 -3.849 -4.226 1.00 0.00 C ATOM 493 CD1 ILE A 35 4.331 -6.741 -3.324 1.00 0.00 C ATOM 0 H ILE A 35 1.139 -4.818 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 35 2.954 -2.906 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 35 2.988 -4.836 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.121 -5.131 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.602 -5.828 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.441 -4.651 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.685 -3.088 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.272 -3.403 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.398 -7.488 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.793 -7.160 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.335 -6.452 -3.636 1.00 0.00 H new ATOM 505 N SER A 36 1.845 -2.466 -5.484 1.00 0.00 N ATOM 506 CA SER A 36 1.709 -1.483 -6.553 1.00 0.00 C ATOM 507 C SER A 36 0.768 -0.357 -6.138 1.00 0.00 C ATOM 508 O SER A 36 0.961 0.799 -6.516 1.00 0.00 O ATOM 509 CB SER A 36 1.192 -2.153 -7.827 1.00 0.00 C ATOM 510 OG SER A 36 -0.022 -2.843 -7.584 1.00 0.00 O ATOM 0 H SER A 36 1.434 -3.376 -5.693 1.00 0.00 H new ATOM 0 HA SER A 36 2.693 -1.057 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.038 -1.401 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.940 -2.850 -8.205 1.00 0.00 H new ATOM 0 HG SER A 36 -0.333 -3.261 -8.414 1.00 0.00 H new ATOM 516 N CYS A 37 -0.251 -0.703 -5.359 1.00 0.00 N ATOM 517 CA CYS A 37 -1.225 0.279 -4.893 1.00 0.00 C ATOM 518 C CYS A 37 -0.533 1.432 -4.174 1.00 0.00 C ATOM 519 O CYS A 37 -0.944 2.587 -4.292 1.00 0.00 O ATOM 520 CB CYS A 37 -2.241 -0.383 -3.961 1.00 0.00 C ATOM 521 SG CYS A 37 -3.719 0.612 -3.654 1.00 0.00 S ATOM 0 H CYS A 37 -0.425 -1.655 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.747 0.678 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.542 -1.339 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.757 -0.599 -3.008 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.418 1.874 -3.738 1.00 0.00 H new ATOM 527 N HIS A 38 0.520 1.112 -3.429 1.00 0.00 N ATOM 528 CA HIS A 38 1.269 2.121 -2.690 1.00 0.00 C ATOM 529 C HIS A 38 2.118 2.967 -3.634 1.00 0.00 C ATOM 530 O HIS A 38 2.196 4.187 -3.489 1.00 0.00 O ATOM 531 CB HIS A 38 2.161 1.458 -1.639 1.00 0.00 C ATOM 532 CG HIS A 38 1.453 1.163 -0.353 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.566 2.039 0.236 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.504 0.080 0.457 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.104 1.509 1.354 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.657 0.320 1.511 1.00 0.00 N ATOM 0 H HIS A 38 0.874 0.161 -3.321 1.00 0.00 H new ATOM 0 HA HIS A 38 0.554 2.773 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.559 0.529 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.012 2.107 -1.435 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.100 -0.808 0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.605 1.970 2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.483 -0.317 2.289 1.00 0.00 H new ATOM 545 N ARG A 39 2.753 2.311 -4.600 1.00 0.00 N ATOM 546 CA ARG A 39 3.598 3.003 -5.566 1.00 0.00 C ATOM 547 C ARG A 39 2.829 4.129 -6.252 1.00 0.00 C ATOM 548 O ARG A 39 3.412 5.135 -6.659 1.00 0.00 O ATOM 549 CB ARG A 39 4.123 2.019 -6.612 1.00 0.00 C ATOM 550 CG ARG A 39 4.875 0.840 -6.016 1.00 0.00 C ATOM 551 CD ARG A 39 5.369 -0.109 -7.097 1.00 0.00 C ATOM 552 NE ARG A 39 6.588 -0.808 -6.696 1.00 0.00 N ATOM 553 CZ ARG A 39 7.447 -1.341 -7.558 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.222 -1.255 -8.862 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.534 -1.960 -7.116 1.00 0.00 N ATOM 0 H ARG A 39 2.698 1.301 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 39 4.442 3.437 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.285 1.645 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.782 2.550 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.722 1.204 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.223 0.302 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.591 -0.838 -7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.557 0.451 -8.013 1.00 0.00 H new ATOM 0 HE ARG A 39 6.790 -0.891 -5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.388 -0.779 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.883 -1.665 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.711 -2.027 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.193 -2.369 -7.779 1.00 0.00 H new ATOM 569 N LYS A 40 1.518 3.953 -6.377 1.00 0.00 N ATOM 570 CA LYS A 40 0.669 4.953 -7.012 1.00 0.00 C ATOM 571 C LYS A 40 0.596 6.221 -6.167 1.00 0.00 C ATOM 572 O LYS A 40 0.893 7.315 -6.645 1.00 0.00 O ATOM 573 CB LYS A 40 -0.738 4.392 -7.232 1.00 0.00 C ATOM 574 CG LYS A 40 -0.908 3.680 -8.563 1.00 0.00 C ATOM 575 CD LYS A 40 -0.450 2.233 -8.484 1.00 0.00 C ATOM 576 CE LYS A 40 -0.659 1.510 -9.806 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.037 0.959 -9.925 1.00 0.00 N ATOM 0 H LYS A 40 1.020 3.126 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 40 1.108 5.206 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.973 3.698 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.459 5.207 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.955 3.715 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.337 4.202 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.605 2.198 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.000 1.719 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.471 2.198 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.065 0.700 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.139 0.474 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.208 0.283 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.727 1.735 -9.865 1.00 0.00 H new ATOM 591 N ALA A 41 0.199 6.065 -4.908 1.00 0.00 N ATOM 592 CA ALA A 41 0.091 7.197 -3.996 1.00 0.00 C ATOM 593 C ALA A 41 1.400 7.977 -3.930 1.00 0.00 C ATOM 594 O ALA A 41 1.417 9.197 -4.092 1.00 0.00 O ATOM 595 CB ALA A 41 -0.312 6.720 -2.608 1.00 0.00 C ATOM 0 H ALA A 41 -0.053 5.166 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.681 7.866 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.389 7.576 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.276 6.214 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.440 6.028 -2.229 1.00 0.00 H new ATOM 601 N THR A 42 2.496 7.264 -3.690 1.00 0.00 N ATOM 602 CA THR A 42 3.810 7.889 -3.601 1.00 0.00 C ATOM 603 C THR A 42 4.081 8.773 -4.813 1.00 0.00 C ATOM 604 O THR A 42 4.661 9.853 -4.691 1.00 0.00 O ATOM 605 CB THR A 42 4.927 6.835 -3.488 1.00 0.00 C ATOM 606 OG1 THR A 42 4.810 5.882 -4.550 1.00 0.00 O ATOM 607 CG2 THR A 42 4.862 6.120 -2.147 1.00 0.00 C ATOM 0 H THR A 42 2.500 6.253 -3.554 1.00 0.00 H new ATOM 0 HA THR A 42 3.808 8.503 -2.700 1.00 0.00 H new ATOM 0 HB THR A 42 5.887 7.345 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.018 6.088 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.660 5.380 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.981 6.845 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.898 5.622 -2.047 1.00 0.00 H new ATOM 615 N THR A 43 3.659 8.309 -5.985 1.00 0.00 N ATOM 616 CA THR A 43 3.857 9.057 -7.220 1.00 0.00 C ATOM 617 C THR A 43 3.087 10.373 -7.195 1.00 0.00 C ATOM 618 O THR A 43 3.583 11.403 -7.652 1.00 0.00 O ATOM 619 CB THR A 43 3.415 8.240 -8.449 1.00 0.00 C ATOM 620 OG1 THR A 43 4.164 7.022 -8.521 1.00 0.00 O ATOM 621 CG2 THR A 43 3.612 9.039 -9.729 1.00 0.00 C ATOM 0 H THR A 43 3.177 7.418 -6.105 1.00 0.00 H new ATOM 0 HA THR A 43 4.924 9.265 -7.296 1.00 0.00 H new ATOM 0 HB THR A 43 2.355 8.009 -8.343 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.925 6.446 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.293 8.442 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.019 9.952 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.666 9.296 -9.839 1.00 0.00 H new ATOM 629 N TYR A 44 1.872 10.332 -6.659 1.00 0.00 N ATOM 630 CA TYR A 44 1.033 11.521 -6.577 1.00 0.00 C ATOM 631 C TYR A 44 1.601 12.521 -5.574 1.00 0.00 C ATOM 632 O TYR A 44 1.768 13.701 -5.883 1.00 0.00 O ATOM 633 CB TYR A 44 -0.394 11.137 -6.179 1.00 0.00 C ATOM 634 CG TYR A 44 -1.285 12.326 -5.898 1.00 0.00 C ATOM 635 CD1 TYR A 44 -1.175 13.493 -6.645 1.00 0.00 C ATOM 636 CD2 TYR A 44 -2.235 12.284 -4.886 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.986 14.582 -6.392 1.00 0.00 C ATOM 638 CE2 TYR A 44 -3.052 13.368 -4.627 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.923 14.514 -5.382 1.00 0.00 C ATOM 640 OH TYR A 44 -3.734 15.597 -5.127 1.00 0.00 O ATOM 0 H TYR A 44 1.447 9.488 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 44 1.015 11.991 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.837 10.542 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.357 10.504 -5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.443 13.549 -7.437 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.337 11.389 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.887 15.482 -6.982 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.787 13.318 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.549 15.530 -5.667 1.00 0.00 H new ATOM 650 N LEU A 45 1.897 12.039 -4.372 1.00 0.00 N ATOM 651 CA LEU A 45 2.448 12.889 -3.321 1.00 0.00 C ATOM 652 C LEU A 45 3.720 13.584 -3.795 1.00 0.00 C ATOM 653 O LEU A 45 3.959 14.748 -3.474 1.00 0.00 O ATOM 654 CB LEU A 45 2.741 12.060 -2.070 1.00 0.00 C ATOM 655 CG LEU A 45 1.561 11.282 -1.487 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.043 10.275 -0.454 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.546 12.235 -0.872 1.00 0.00 C ATOM 0 H LEU A 45 1.765 11.065 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 45 1.708 13.652 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.536 11.352 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.127 12.727 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 45 1.075 10.737 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.189 9.731 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.731 9.573 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.554 10.799 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.287 11.664 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.021 12.807 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.176 12.917 -1.638 1.00 0.00 H new ATOM 669 N SER A 46 4.531 12.864 -4.562 1.00 0.00 N ATOM 670 CA SER A 46 5.780 13.411 -5.079 1.00 0.00 C ATOM 671 C SER A 46 5.509 14.522 -6.089 1.00 0.00 C ATOM 672 O SER A 46 6.364 15.372 -6.336 1.00 0.00 O ATOM 673 CB SER A 46 6.615 12.307 -5.731 1.00 0.00 C ATOM 674 OG SER A 46 7.156 11.434 -4.755 1.00 0.00 O ATOM 0 H SER A 46 4.346 11.900 -4.840 1.00 0.00 H new ATOM 0 HA SER A 46 6.337 13.831 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.996 11.741 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.422 12.752 -6.313 1.00 0.00 H new ATOM 0 HG SER A 46 6.498 10.742 -4.534 1.00 0.00 H new ATOM 680 N GLU A 47 4.314 14.507 -6.669 1.00 0.00 N ATOM 681 CA GLU A 47 3.930 15.513 -7.653 1.00 0.00 C ATOM 682 C GLU A 47 3.376 16.760 -6.969 1.00 0.00 C ATOM 683 O GLU A 47 3.380 17.849 -7.542 1.00 0.00 O ATOM 684 CB GLU A 47 2.889 14.943 -8.619 1.00 0.00 C ATOM 685 CG GLU A 47 3.479 14.023 -9.675 1.00 0.00 C ATOM 686 CD GLU A 47 4.329 14.766 -10.687 1.00 0.00 C ATOM 687 OE1 GLU A 47 3.773 15.216 -11.711 1.00 0.00 O ATOM 688 OE2 GLU A 47 5.549 14.897 -10.457 1.00 0.00 O ATOM 0 H GLU A 47 3.595 13.810 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 47 4.821 15.793 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.139 14.395 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.374 15.767 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.085 13.259 -9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.671 13.507 -10.194 1.00 0.00 H new ATOM 695 N ALA A 48 2.900 16.591 -5.740 1.00 0.00 N ATOM 696 CA ALA A 48 2.344 17.701 -4.977 1.00 0.00 C ATOM 697 C ALA A 48 3.448 18.607 -4.442 1.00 0.00 C ATOM 698 O ALA A 48 3.425 19.820 -4.653 1.00 0.00 O ATOM 699 CB ALA A 48 1.487 17.179 -3.833 1.00 0.00 C ATOM 0 H ALA A 48 2.888 15.696 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 48 1.717 18.291 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.078 18.019 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.670 16.579 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.098 16.564 -3.172 1.00 0.00 H new ATOM 705 N MET A 49 4.413 18.011 -3.749 1.00 0.00 N ATOM 706 CA MET A 49 5.526 18.766 -3.185 1.00 0.00 C ATOM 707 C MET A 49 6.377 19.385 -4.288 1.00 0.00 C ATOM 708 O MET A 49 7.051 20.394 -4.075 1.00 0.00 O ATOM 709 CB MET A 49 6.390 17.860 -2.305 1.00 0.00 C ATOM 710 CG MET A 49 6.919 16.633 -3.030 1.00 0.00 C ATOM 711 SD MET A 49 7.743 15.474 -1.923 1.00 0.00 S ATOM 712 CE MET A 49 6.519 15.316 -0.625 1.00 0.00 C ATOM 0 H MET A 49 4.447 17.008 -3.565 1.00 0.00 H new ATOM 0 HA MET A 49 5.115 19.570 -2.574 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.232 18.436 -1.921 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.805 17.539 -1.444 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.093 16.127 -3.530 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.617 16.947 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.678 14.382 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.612 16.154 0.066 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.521 15.316 -1.064 1.00 0.00 H new ATOM 722 N LYS A 50 6.344 18.775 -5.468 1.00 0.00 N ATOM 723 CA LYS A 50 7.112 19.267 -6.606 1.00 0.00 C ATOM 724 C LYS A 50 6.523 20.570 -7.137 1.00 0.00 C ATOM 725 O LYS A 50 7.066 21.176 -8.062 1.00 0.00 O ATOM 726 CB LYS A 50 7.141 18.217 -7.719 1.00 0.00 C ATOM 727 CG LYS A 50 8.283 17.224 -7.589 1.00 0.00 C ATOM 728 CD LYS A 50 8.189 16.125 -8.635 1.00 0.00 C ATOM 729 CE LYS A 50 9.113 14.963 -8.307 1.00 0.00 C ATOM 730 NZ LYS A 50 10.513 15.230 -8.739 1.00 0.00 N ATOM 0 H LYS A 50 5.793 17.939 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 50 8.131 19.460 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.196 17.673 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.218 18.722 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.234 17.746 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.270 16.782 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.161 15.768 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.445 16.530 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.094 14.775 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.748 14.059 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.112 14.415 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.536 15.384 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.870 16.078 -8.254 1.00 0.00 H new ATOM 744 N LEU A 51 5.413 20.997 -6.546 1.00 0.00 N ATOM 745 CA LEU A 51 4.752 22.230 -6.959 1.00 0.00 C ATOM 746 C LEU A 51 4.744 23.250 -5.825 1.00 0.00 C ATOM 747 O LEU A 51 5.188 24.386 -5.993 1.00 0.00 O ATOM 748 CB LEU A 51 3.319 21.938 -7.408 1.00 0.00 C ATOM 749 CG LEU A 51 3.171 21.135 -8.701 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.711 20.785 -8.948 1.00 0.00 C ATOM 751 CD2 LEU A 51 3.742 21.910 -9.879 1.00 0.00 C ATOM 0 H LEU A 51 4.952 20.508 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 51 5.310 22.649 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.812 21.398 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.798 22.887 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 51 3.733 20.207 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.625 20.214 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.334 20.189 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.126 21.701 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.628 21.323 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.208 22.854 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.800 22.109 -9.706 1.00 0.00 H new ATOM 763 N THR A 52 4.237 22.836 -4.667 1.00 0.00 N ATOM 764 CA THR A 52 4.172 23.712 -3.505 1.00 0.00 C ATOM 765 C THR A 52 5.562 24.191 -3.099 1.00 0.00 C ATOM 766 O THR A 52 6.485 23.391 -2.953 1.00 0.00 O ATOM 767 CB THR A 52 3.514 23.005 -2.305 1.00 0.00 C ATOM 768 OG1 THR A 52 2.939 23.974 -1.421 1.00 0.00 O ATOM 769 CG2 THR A 52 4.530 22.162 -1.549 1.00 0.00 C ATOM 0 H THR A 52 3.866 21.899 -4.510 1.00 0.00 H new ATOM 0 HA THR A 52 3.564 24.571 -3.790 1.00 0.00 H new ATOM 0 HB THR A 52 2.731 22.348 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.266 23.542 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.042 21.673 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.945 21.407 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.332 22.802 -1.182 1.00 0.00 H new ATOM 777 N GLU A 53 5.702 25.500 -2.916 1.00 0.00 N ATOM 778 CA GLU A 53 6.980 26.084 -2.527 1.00 0.00 C ATOM 779 C GLU A 53 6.994 26.418 -1.038 1.00 0.00 C ATOM 780 O GLU A 53 7.889 27.112 -0.555 1.00 0.00 O ATOM 781 CB GLU A 53 7.261 27.345 -3.347 1.00 0.00 C ATOM 782 CG GLU A 53 7.679 27.059 -4.779 1.00 0.00 C ATOM 783 CD GLU A 53 8.885 26.144 -4.863 1.00 0.00 C ATOM 784 OE1 GLU A 53 8.710 24.917 -4.710 1.00 0.00 O ATOM 785 OE2 GLU A 53 10.004 26.654 -5.082 1.00 0.00 O ATOM 0 H GLU A 53 4.947 26.176 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 53 7.761 25.350 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.367 27.969 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.046 27.920 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.845 26.604 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.905 27.999 -5.282 1.00 0.00 H new ATOM 792 N SER A 54 5.995 25.920 -0.316 1.00 0.00 N ATOM 793 CA SER A 54 5.889 26.169 1.117 1.00 0.00 C ATOM 794 C SER A 54 6.566 25.057 1.913 1.00 0.00 C ATOM 795 O SER A 54 6.819 23.972 1.390 1.00 0.00 O ATOM 796 CB SER A 54 4.421 26.286 1.529 1.00 0.00 C ATOM 797 OG SER A 54 4.299 26.811 2.839 1.00 0.00 O ATOM 0 H SER A 54 5.248 25.342 -0.700 1.00 0.00 H new ATOM 0 HA SER A 54 6.396 27.109 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.893 26.930 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.947 25.305 1.481 1.00 0.00 H new ATOM 0 HG SER A 54 3.351 26.877 3.078 1.00 0.00 H new ATOM 803 N GLU A 55 6.854 25.336 3.180 1.00 0.00 N ATOM 804 CA GLU A 55 7.502 24.360 4.048 1.00 0.00 C ATOM 805 C GLU A 55 6.475 23.416 4.666 1.00 0.00 C ATOM 806 O GLU A 55 6.556 22.199 4.498 1.00 0.00 O ATOM 807 CB GLU A 55 8.288 25.069 5.153 1.00 0.00 C ATOM 808 CG GLU A 55 9.365 24.203 5.786 1.00 0.00 C ATOM 809 CD GLU A 55 10.112 24.919 6.894 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.745 25.957 6.610 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.063 24.440 8.047 1.00 0.00 O ATOM 0 H GLU A 55 6.649 26.229 3.628 1.00 0.00 H new ATOM 0 HA GLU A 55 8.191 23.773 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.751 25.965 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.595 25.396 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.909 23.297 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.073 23.891 5.018 1.00 0.00 H new ATOM 818 N GLN A 56 5.510 23.986 5.381 1.00 0.00 N ATOM 819 CA GLN A 56 4.468 23.195 6.025 1.00 0.00 C ATOM 820 C GLN A 56 3.855 22.200 5.044 1.00 0.00 C ATOM 821 O GLN A 56 3.918 20.989 5.253 1.00 0.00 O ATOM 822 CB GLN A 56 3.379 24.109 6.589 1.00 0.00 C ATOM 823 CG GLN A 56 3.638 24.552 8.020 1.00 0.00 C ATOM 824 CD GLN A 56 3.044 23.601 9.041 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.971 23.036 8.829 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.740 23.420 10.157 1.00 0.00 N ATOM 0 H GLN A 56 5.428 24.992 5.529 1.00 0.00 H new ATOM 0 HA GLN A 56 4.924 22.637 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.292 24.991 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.422 23.589 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.713 24.630 8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.220 25.547 8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.625 23.909 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.390 22.792 10.880 1.00 0.00 H new ATOM 835 N ALA A 57 3.263 22.720 3.974 1.00 0.00 N ATOM 836 CA ALA A 57 2.641 21.878 2.960 1.00 0.00 C ATOM 837 C ALA A 57 3.557 20.724 2.566 1.00 0.00 C ATOM 838 O ALA A 57 3.190 19.556 2.690 1.00 0.00 O ATOM 839 CB ALA A 57 2.276 22.706 1.737 1.00 0.00 C ATOM 0 H ALA A 57 3.201 23.721 3.787 1.00 0.00 H new ATOM 0 HA ALA A 57 1.730 21.455 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.812 22.064 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.577 23.491 2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.177 23.157 1.321 1.00 0.00 H new ATOM 845 N HIS A 58 4.752 21.060 2.090 1.00 0.00 N ATOM 846 CA HIS A 58 5.722 20.052 1.678 1.00 0.00 C ATOM 847 C HIS A 58 5.886 18.984 2.754 1.00 0.00 C ATOM 848 O HIS A 58 5.776 17.788 2.479 1.00 0.00 O ATOM 849 CB HIS A 58 7.072 20.704 1.380 1.00 0.00 C ATOM 850 CG HIS A 58 8.164 19.719 1.097 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.724 18.916 2.069 1.00 0.00 N ATOM 852 CD2 HIS A 58 8.798 19.407 -0.057 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.656 18.155 1.525 1.00 0.00 C ATOM 854 NE2 HIS A 58 9.721 18.433 0.235 1.00 0.00 N ATOM 0 H HIS A 58 5.072 22.022 1.980 1.00 0.00 H new ATOM 0 HA HIS A 58 5.350 19.575 0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.963 21.370 0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.363 21.322 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.613 19.843 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.262 17.429 2.046 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.354 17.995 -0.435 1.00 0.00 H new ATOM 863 N LEU A 59 6.150 19.422 3.980 1.00 0.00 N ATOM 864 CA LEU A 59 6.330 18.503 5.099 1.00 0.00 C ATOM 865 C LEU A 59 5.177 17.508 5.177 1.00 0.00 C ATOM 866 O LEU A 59 5.388 16.295 5.156 1.00 0.00 O ATOM 867 CB LEU A 59 6.438 19.281 6.411 1.00 0.00 C ATOM 868 CG LEU A 59 7.849 19.691 6.835 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.602 20.301 5.663 1.00 0.00 C ATOM 870 CD2 LEU A 59 7.793 20.667 8.001 1.00 0.00 C ATOM 0 H LEU A 59 6.244 20.408 4.225 1.00 0.00 H new ATOM 0 HA LEU A 59 7.254 17.948 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.830 20.181 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.003 18.675 7.206 1.00 0.00 H new ATOM 0 HG LEU A 59 8.384 18.799 7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.604 20.587 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.673 19.571 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.069 21.183 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.806 20.948 8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.240 21.558 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.293 20.195 8.847 1.00 0.00 H new ATOM 882 N SER A 60 3.958 18.029 5.267 1.00 0.00 N ATOM 883 CA SER A 60 2.771 17.186 5.350 1.00 0.00 C ATOM 884 C SER A 60 2.861 16.022 4.367 1.00 0.00 C ATOM 885 O SER A 60 2.250 14.972 4.573 1.00 0.00 O ATOM 886 CB SER A 60 1.513 18.011 5.068 1.00 0.00 C ATOM 887 OG SER A 60 1.484 19.184 5.861 1.00 0.00 O ATOM 0 H SER A 60 3.766 19.031 5.284 1.00 0.00 H new ATOM 0 HA SER A 60 2.713 16.781 6.360 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.481 18.281 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.627 17.409 5.271 1.00 0.00 H new ATOM 0 HG SER A 60 0.672 19.694 5.661 1.00 0.00 H new ATOM 893 N LEU A 61 3.625 16.217 3.299 1.00 0.00 N ATOM 894 CA LEU A 61 3.797 15.184 2.283 1.00 0.00 C ATOM 895 C LEU A 61 5.010 14.313 2.591 1.00 0.00 C ATOM 896 O LEU A 61 4.877 13.119 2.856 1.00 0.00 O ATOM 897 CB LEU A 61 3.950 15.821 0.900 1.00 0.00 C ATOM 898 CG LEU A 61 2.863 16.819 0.497 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.246 17.534 -0.789 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.524 16.113 0.339 1.00 0.00 C ATOM 0 H LEU A 61 4.135 17.080 3.113 1.00 0.00 H new ATOM 0 HA LEU A 61 2.909 14.552 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.914 16.328 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.978 15.025 0.156 1.00 0.00 H new ATOM 0 HG LEU A 61 2.768 17.563 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.461 18.240 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.183 18.072 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.369 16.804 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.762 16.838 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.605 15.347 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.244 15.648 1.284 1.00 0.00 H new ATOM 912 N GLU A 62 6.192 14.920 2.555 1.00 0.00 N ATOM 913 CA GLU A 62 7.429 14.198 2.832 1.00 0.00 C ATOM 914 C GLU A 62 7.244 13.228 3.996 1.00 0.00 C ATOM 915 O GLU A 62 7.835 12.148 4.018 1.00 0.00 O ATOM 916 CB GLU A 62 8.559 15.181 3.147 1.00 0.00 C ATOM 917 CG GLU A 62 8.674 15.523 4.623 1.00 0.00 C ATOM 918 CD GLU A 62 9.859 16.420 4.924 1.00 0.00 C ATOM 919 OE1 GLU A 62 9.923 17.530 4.355 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.722 16.012 5.729 1.00 0.00 O ATOM 0 H GLU A 62 6.319 15.908 2.337 1.00 0.00 H new ATOM 0 HA GLU A 62 7.693 13.625 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.504 14.757 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.399 16.099 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.758 16.015 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.765 14.602 5.199 1.00 0.00 H new ATOM 927 N LEU A 63 6.422 13.623 4.962 1.00 0.00 N ATOM 928 CA LEU A 63 6.159 12.789 6.130 1.00 0.00 C ATOM 929 C LEU A 63 5.209 11.648 5.781 1.00 0.00 C ATOM 930 O LEU A 63 5.439 10.500 6.160 1.00 0.00 O ATOM 931 CB LEU A 63 5.567 13.633 7.260 1.00 0.00 C ATOM 932 CG LEU A 63 6.519 14.631 7.921 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.738 15.672 8.709 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.508 13.908 8.824 1.00 0.00 C ATOM 0 H LEU A 63 5.927 14.515 4.960 1.00 0.00 H new ATOM 0 HA LEU A 63 7.105 12.361 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.712 14.183 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.187 12.960 8.029 1.00 0.00 H new ATOM 0 HG LEU A 63 7.079 15.142 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.432 16.374 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.071 16.212 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.151 15.178 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.177 14.634 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.965 13.370 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.091 13.202 8.233 1.00 0.00 H new ATOM 946 N GLN A 64 4.142 11.972 5.057 1.00 0.00 N ATOM 947 CA GLN A 64 3.159 10.973 4.657 1.00 0.00 C ATOM 948 C GLN A 64 3.792 9.915 3.759 1.00 0.00 C ATOM 949 O GLN A 64 3.544 8.721 3.922 1.00 0.00 O ATOM 950 CB GLN A 64 1.989 11.641 3.932 1.00 0.00 C ATOM 951 CG GLN A 64 0.773 10.741 3.782 1.00 0.00 C ATOM 952 CD GLN A 64 -0.073 10.689 5.039 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.359 10.173 6.071 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.286 11.223 4.960 1.00 0.00 N ATOM 0 H GLN A 64 3.937 12.918 4.736 1.00 0.00 H new ATOM 0 HA GLN A 64 2.788 10.484 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.700 12.540 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.319 11.960 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.162 11.097 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.101 9.733 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.604 11.640 4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.900 11.216 5.774 1.00 0.00 H new ATOM 963 N ARG A 65 4.609 10.363 2.811 1.00 0.00 N ATOM 964 CA ARG A 65 5.276 9.455 1.886 1.00 0.00 C ATOM 965 C ARG A 65 6.038 8.371 2.643 1.00 0.00 C ATOM 966 O ARG A 65 6.104 7.223 2.205 1.00 0.00 O ATOM 967 CB ARG A 65 6.234 10.229 0.980 1.00 0.00 C ATOM 968 CG ARG A 65 6.793 9.400 -0.165 1.00 0.00 C ATOM 969 CD ARG A 65 7.602 10.255 -1.128 1.00 0.00 C ATOM 970 NE ARG A 65 8.654 9.487 -1.790 1.00 0.00 N ATOM 971 CZ ARG A 65 9.407 9.968 -2.773 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.227 11.208 -3.205 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.345 9.207 -3.325 1.00 0.00 N ATOM 0 H ARG A 65 4.825 11.349 2.664 1.00 0.00 H new ATOM 0 HA ARG A 65 4.513 8.977 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.714 11.095 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.061 10.609 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.422 8.604 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.975 8.920 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.938 10.682 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.048 11.089 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 65 8.819 8.529 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.509 11.796 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.807 11.574 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.487 8.253 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.923 9.577 -4.080 1.00 0.00 H new ATOM 987 N ASP A 66 6.613 8.745 3.781 1.00 0.00 N ATOM 988 CA ASP A 66 7.371 7.805 4.600 1.00 0.00 C ATOM 989 C ASP A 66 6.595 6.507 4.796 1.00 0.00 C ATOM 990 O ASP A 66 7.079 5.426 4.460 1.00 0.00 O ATOM 991 CB ASP A 66 7.699 8.428 5.958 1.00 0.00 C ATOM 992 CG ASP A 66 8.368 7.446 6.899 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.540 7.094 6.652 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.720 7.029 7.881 1.00 0.00 O ATOM 0 H ASP A 66 6.569 9.692 4.157 1.00 0.00 H new ATOM 0 HA ASP A 66 8.301 7.576 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.352 9.289 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.782 8.798 6.416 1.00 0.00 H new ATOM 999 N SER A 67 5.388 6.621 5.343 1.00 0.00 N ATOM 1000 CA SER A 67 4.547 5.456 5.589 1.00 0.00 C ATOM 1001 C SER A 67 4.208 4.745 4.282 1.00 0.00 C ATOM 1002 O SER A 67 4.478 3.555 4.120 1.00 0.00 O ATOM 1003 CB SER A 67 3.261 5.871 6.305 1.00 0.00 C ATOM 1004 OG SER A 67 2.550 6.842 5.556 1.00 0.00 O ATOM 0 H SER A 67 4.971 7.509 5.624 1.00 0.00 H new ATOM 0 HA SER A 67 5.102 4.766 6.225 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.631 4.996 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.502 6.272 7.289 1.00 0.00 H new ATOM 0 HG SER A 67 3.184 7.463 5.140 1.00 0.00 H new ATOM 1010 N HIS A 68 3.613 5.485 3.350 1.00 0.00 N ATOM 1011 CA HIS A 68 3.237 4.927 2.056 1.00 0.00 C ATOM 1012 C HIS A 68 4.304 3.961 1.550 1.00 0.00 C ATOM 1013 O HIS A 68 4.007 3.031 0.801 1.00 0.00 O ATOM 1014 CB HIS A 68 3.021 6.047 1.038 1.00 0.00 C ATOM 1015 CG HIS A 68 1.637 6.618 1.060 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.184 7.826 1.469 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.529 5.922 0.625 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.176 7.838 1.275 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.546 6.678 0.765 1.00 0.00 N flip ATOM 0 H HIS A 68 3.381 6.471 3.467 1.00 0.00 H new ATOM 0 HA HIS A 68 2.305 4.376 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.738 6.845 1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.231 5.664 0.039 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.747 8.586 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.538 4.916 0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.835 8.663 1.503 1.00 0.00 H new ATOM 1028 N MET A 69 5.546 4.190 1.963 1.00 0.00 N ATOM 1029 CA MET A 69 6.657 3.339 1.551 1.00 0.00 C ATOM 1030 C MET A 69 6.960 2.288 2.615 1.00 0.00 C ATOM 1031 O MET A 69 7.212 1.125 2.299 1.00 0.00 O ATOM 1032 CB MET A 69 7.903 4.185 1.283 1.00 0.00 C ATOM 1033 CG MET A 69 7.909 4.840 -0.089 1.00 0.00 C ATOM 1034 SD MET A 69 7.771 3.643 -1.430 1.00 0.00 S ATOM 1035 CE MET A 69 9.113 2.527 -1.028 1.00 0.00 C ATOM 0 H MET A 69 5.809 4.957 2.582 1.00 0.00 H new ATOM 0 HA MET A 69 6.370 2.828 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.978 4.959 2.047 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.787 3.555 1.380 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.083 5.548 -0.153 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.829 5.412 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.390 1.957 -1.915 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.973 3.101 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.794 1.843 -0.242 1.00 0.00 H new ATOM 1045 N LYS A 70 6.935 2.705 3.876 1.00 0.00 N ATOM 1046 CA LYS A 70 7.207 1.801 4.987 1.00 0.00 C ATOM 1047 C LYS A 70 6.363 0.535 4.876 1.00 0.00 C ATOM 1048 O LYS A 70 6.814 -0.554 5.229 1.00 0.00 O ATOM 1049 CB LYS A 70 6.927 2.499 6.320 1.00 0.00 C ATOM 1050 CG LYS A 70 5.507 2.301 6.823 1.00 0.00 C ATOM 1051 CD LYS A 70 5.326 2.875 8.218 1.00 0.00 C ATOM 1052 CE LYS A 70 6.237 2.191 9.225 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.924 2.599 10.623 1.00 0.00 N ATOM 0 H LYS A 70 6.729 3.664 4.154 1.00 0.00 H new ATOM 0 HA LYS A 70 8.259 1.520 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.625 2.126 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.119 3.566 6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.807 2.779 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.268 1.238 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.537 3.944 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.287 2.759 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.135 1.110 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.275 2.434 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.567 2.111 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.045 3.627 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.941 2.344 10.847 1.00 0.00 H new ATOM 1067 N GLN A 71 5.138 0.687 4.383 1.00 0.00 N ATOM 1068 CA GLN A 71 4.233 -0.445 4.226 1.00 0.00 C ATOM 1069 C GLN A 71 4.562 -1.234 2.963 1.00 0.00 C ATOM 1070 O GLN A 71 4.394 -2.454 2.919 1.00 0.00 O ATOM 1071 CB GLN A 71 2.782 0.038 4.176 1.00 0.00 C ATOM 1072 CG GLN A 71 2.197 0.351 5.544 1.00 0.00 C ATOM 1073 CD GLN A 71 2.080 -0.879 6.423 1.00 0.00 C ATOM 1074 OE1 GLN A 71 3.088 -1.109 7.257 1.00 0.00 O flip ATOM 1075 NE2 GLN A 71 1.095 -1.614 6.354 1.00 0.00 N flip ATOM 0 H GLN A 71 4.750 1.582 4.086 1.00 0.00 H new ATOM 0 HA GLN A 71 4.361 -1.102 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.726 0.931 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.170 -0.725 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.823 1.091 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.211 0.799 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.343 -1.399 5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.030 -2.438 6.952 1.00 0.00 H new ATOM 1084 N LEU A 72 5.032 -0.532 1.938 1.00 0.00 N ATOM 1085 CA LEU A 72 5.385 -1.167 0.673 1.00 0.00 C ATOM 1086 C LEU A 72 6.536 -2.150 0.860 1.00 0.00 C ATOM 1087 O LEU A 72 6.505 -3.266 0.339 1.00 0.00 O ATOM 1088 CB LEU A 72 5.766 -0.108 -0.362 1.00 0.00 C ATOM 1089 CG LEU A 72 6.478 -0.621 -1.615 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.725 -1.799 -2.212 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.624 0.495 -2.640 1.00 0.00 C ATOM 0 H LEU A 72 5.178 0.477 1.958 1.00 0.00 H new ATOM 0 HA LEU A 72 4.515 -1.719 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.859 0.413 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.408 0.629 0.121 1.00 0.00 H new ATOM 0 HG LEU A 72 7.474 -0.959 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.246 -2.150 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.672 -2.605 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.716 -1.487 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.133 0.112 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.637 0.863 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.207 1.310 -2.210 1.00 0.00 H new ATOM 1103 N LEU A 73 7.550 -1.730 1.609 1.00 0.00 N ATOM 1104 CA LEU A 73 8.711 -2.574 1.867 1.00 0.00 C ATOM 1105 C LEU A 73 8.343 -3.743 2.775 1.00 0.00 C ATOM 1106 O LEU A 73 8.926 -4.825 2.680 1.00 0.00 O ATOM 1107 CB LEU A 73 9.833 -1.752 2.504 1.00 0.00 C ATOM 1108 CG LEU A 73 10.118 -0.394 1.861 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.317 0.268 2.522 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.350 -0.551 0.366 1.00 0.00 C ATOM 0 H LEU A 73 7.591 -0.810 2.048 1.00 0.00 H new ATOM 0 HA LEU A 73 9.058 -2.973 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.587 -1.590 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.749 -2.343 2.479 1.00 0.00 H new ATOM 0 HG LEU A 73 9.248 0.247 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.505 1.233 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.113 0.415 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.194 -0.369 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.551 0.425 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.203 -1.208 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.462 -0.982 -0.097 1.00 0.00 H new ATOM 1122 N LEU A 74 7.373 -3.520 3.654 1.00 0.00 N ATOM 1123 CA LEU A 74 6.925 -4.556 4.579 1.00 0.00 C ATOM 1124 C LEU A 74 6.108 -5.619 3.851 1.00 0.00 C ATOM 1125 O LEU A 74 6.359 -6.816 3.997 1.00 0.00 O ATOM 1126 CB LEU A 74 6.092 -3.938 5.703 1.00 0.00 C ATOM 1127 CG LEU A 74 6.875 -3.403 6.902 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.974 -2.567 7.799 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.497 -4.548 7.687 1.00 0.00 C ATOM 0 H LEU A 74 6.881 -2.631 3.746 1.00 0.00 H new ATOM 0 HA LEU A 74 7.807 -5.032 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.503 -3.121 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.387 -4.689 6.060 1.00 0.00 H new ATOM 0 HG LEU A 74 7.677 -2.765 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.549 -2.195 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.577 -1.725 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.150 -3.182 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.050 -4.148 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.711 -5.212 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.176 -5.105 7.041 1.00 0.00 H new ATOM 1141 N ILE A 75 5.132 -5.174 3.066 1.00 0.00 N ATOM 1142 CA ILE A 75 4.282 -6.087 2.313 1.00 0.00 C ATOM 1143 C ILE A 75 5.110 -6.976 1.392 1.00 0.00 C ATOM 1144 O ILE A 75 4.898 -8.186 1.327 1.00 0.00 O ATOM 1145 CB ILE A 75 3.241 -5.324 1.473 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.256 -4.589 2.385 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.502 -6.280 0.548 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.453 -3.523 1.674 1.00 0.00 C ATOM 0 H ILE A 75 4.911 -4.187 2.935 1.00 0.00 H new ATOM 0 HA ILE A 75 3.763 -6.708 3.043 1.00 0.00 H new ATOM 0 HB ILE A 75 3.761 -4.586 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.572 -5.314 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.807 -4.130 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.770 -5.725 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.214 -6.762 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.992 -7.039 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.776 -3.044 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.129 -2.777 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.874 -3.979 0.871 1.00 0.00 H new ATOM 1160 N GLN A 76 6.054 -6.366 0.683 1.00 0.00 N ATOM 1161 CA GLN A 76 6.915 -7.103 -0.235 1.00 0.00 C ATOM 1162 C GLN A 76 7.505 -8.336 0.443 1.00 0.00 C ATOM 1163 O GLN A 76 7.304 -9.461 -0.012 1.00 0.00 O ATOM 1164 CB GLN A 76 8.039 -6.202 -0.748 1.00 0.00 C ATOM 1165 CG GLN A 76 7.605 -5.263 -1.862 1.00 0.00 C ATOM 1166 CD GLN A 76 8.765 -4.488 -2.456 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.811 -3.189 -2.183 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 9.610 -5.050 -3.154 1.00 0.00 N flip ATOM 0 H GLN A 76 6.242 -5.364 0.726 1.00 0.00 H new ATOM 0 HA GLN A 76 6.308 -7.430 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.428 -5.612 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.858 -6.825 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.117 -5.839 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.865 -4.563 -1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.536 -6.050 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.384 -4.515 -3.548 1.00 0.00 H new ATOM 1177 N GLU A 77 8.233 -8.114 1.533 1.00 0.00 N ATOM 1178 CA GLU A 77 8.853 -9.207 2.272 1.00 0.00 C ATOM 1179 C GLU A 77 7.800 -10.194 2.769 1.00 0.00 C ATOM 1180 O GLU A 77 8.003 -11.407 2.727 1.00 0.00 O ATOM 1181 CB GLU A 77 9.655 -8.662 3.456 1.00 0.00 C ATOM 1182 CG GLU A 77 8.870 -7.701 4.332 1.00 0.00 C ATOM 1183 CD GLU A 77 9.669 -7.213 5.525 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.356 -6.178 5.396 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.608 -7.867 6.587 1.00 0.00 O ATOM 0 H GLU A 77 8.408 -7.188 1.923 1.00 0.00 H new ATOM 0 HA GLU A 77 9.528 -9.731 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.000 -9.497 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.543 -8.154 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.556 -6.845 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.964 -8.194 4.684 1.00 0.00 H new ATOM 1192 N ARG A 78 6.676 -9.663 3.240 1.00 0.00 N ATOM 1193 CA ARG A 78 5.592 -10.496 3.746 1.00 0.00 C ATOM 1194 C ARG A 78 5.033 -11.390 2.644 1.00 0.00 C ATOM 1195 O ARG A 78 4.469 -12.450 2.917 1.00 0.00 O ATOM 1196 CB ARG A 78 4.477 -9.622 4.324 1.00 0.00 C ATOM 1197 CG ARG A 78 4.831 -8.986 5.658 1.00 0.00 C ATOM 1198 CD ARG A 78 4.912 -10.024 6.766 1.00 0.00 C ATOM 1199 NE ARG A 78 5.229 -9.421 8.059 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.416 -8.906 8.358 1.00 0.00 C ATOM 1201 NH1 ARG A 78 7.393 -8.919 7.461 1.00 0.00 N ATOM 1202 NH2 ARG A 78 6.627 -8.375 9.555 1.00 0.00 N ATOM 0 H ARG A 78 6.493 -8.660 3.282 1.00 0.00 H new ATOM 0 HA ARG A 78 5.993 -11.131 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.236 -8.836 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.579 -10.228 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.786 -8.468 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.083 -8.236 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.962 -10.554 6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.672 -10.764 6.515 1.00 0.00 H new ATOM 0 HE ARG A 78 4.499 -9.394 8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.234 -9.325 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.304 -8.523 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.877 -8.362 10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.539 -7.980 9.784 1.00 0.00 H new ATOM 1216 N TRP A 79 5.192 -10.955 1.399 1.00 0.00 N ATOM 1217 CA TRP A 79 4.702 -11.716 0.255 1.00 0.00 C ATOM 1218 C TRP A 79 5.637 -12.877 -0.067 1.00 0.00 C ATOM 1219 O TRP A 79 5.202 -14.021 -0.194 1.00 0.00 O ATOM 1220 CB TRP A 79 4.559 -10.806 -0.966 1.00 0.00 C ATOM 1221 CG TRP A 79 3.802 -11.440 -2.093 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.912 -12.472 -2.005 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.871 -11.084 -3.478 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.423 -12.779 -3.252 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.995 -11.941 -4.173 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.585 -10.123 -4.199 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.817 -11.865 -5.552 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.408 -10.050 -5.568 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.530 -10.916 -6.232 1.00 0.00 C ATOM 0 H TRP A 79 5.656 -10.080 1.156 1.00 0.00 H new ATOM 0 HA TRP A 79 3.724 -12.122 0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.053 -9.888 -0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.551 -10.523 -1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.633 -12.973 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.744 -13.512 -3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.263 -9.450 -3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.140 -12.531 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.956 -9.312 -6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.414 -10.833 -7.302 1.00 0.00 H new ATOM 1240 N LYS A 80 6.924 -12.575 -0.198 1.00 0.00 N ATOM 1241 CA LYS A 80 7.922 -13.593 -0.504 1.00 0.00 C ATOM 1242 C LYS A 80 7.742 -14.817 0.388 1.00 0.00 C ATOM 1243 O LYS A 80 7.659 -15.945 -0.099 1.00 0.00 O ATOM 1244 CB LYS A 80 9.332 -13.024 -0.327 1.00 0.00 C ATOM 1245 CG LYS A 80 9.557 -11.716 -1.066 1.00 0.00 C ATOM 1246 CD LYS A 80 11.021 -11.310 -1.047 1.00 0.00 C ATOM 1247 CE LYS A 80 11.343 -10.444 0.161 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.804 -10.177 0.278 1.00 0.00 N ATOM 0 H LYS A 80 7.301 -11.633 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 80 7.787 -13.898 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.521 -12.869 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.058 -13.758 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.220 -11.817 -2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.955 -10.931 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.647 -12.202 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.261 -10.766 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.806 -9.499 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.990 -10.938 1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.983 -9.584 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.315 -11.078 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.136 -9.683 -0.575 1.00 0.00 H new ATOM 1262 N ARG A 81 7.680 -14.588 1.695 1.00 0.00 N ATOM 1263 CA ARG A 81 7.509 -15.672 2.655 1.00 0.00 C ATOM 1264 C ARG A 81 6.133 -16.317 2.507 1.00 0.00 C ATOM 1265 O ARG A 81 5.983 -17.527 2.672 1.00 0.00 O ATOM 1266 CB ARG A 81 7.689 -15.153 4.082 1.00 0.00 C ATOM 1267 CG ARG A 81 9.086 -14.625 4.366 1.00 0.00 C ATOM 1268 CD ARG A 81 9.248 -14.235 5.826 1.00 0.00 C ATOM 1269 NE ARG A 81 10.630 -13.891 6.151 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.997 -13.327 7.296 1.00 0.00 C ATOM 1271 NH1 ARG A 81 10.090 -13.045 8.221 1.00 0.00 N ATOM 1272 NH2 ARG A 81 12.274 -13.044 7.518 1.00 0.00 N ATOM 0 H ARG A 81 7.746 -13.660 2.114 1.00 0.00 H new ATOM 0 HA ARG A 81 8.270 -16.426 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.965 -14.359 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.464 -15.957 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.823 -15.385 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.285 -13.760 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.601 -13.386 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.921 -15.059 6.460 1.00 0.00 H new ATOM 0 HE ARG A 81 11.353 -14.095 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.107 -13.261 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.375 -12.612 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.975 -13.260 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.555 -12.611 8.398 1.00 0.00 H new