USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 32 GLN : amide:sc= 1.31 K(o=2.5,f=-1.3) USER MOD Set 1.2: A 42 THR OG1 : rot -114:sc= 1.22 USER MOD Set 2.1: A 25 TYR OH : rot -150:sc= 0.62 USER MOD Set 2.2: A 39 ASN : amide:sc= 1.08 K(o=1.6,f=-3.7!) USER MOD Set 2.3: A 44 THR OG1 : rot 180:sc= -0.0175 USER MOD Set 2.4: A 71 MET CE :methyl -178:sc= -0.065 (180deg=-0.0516) USER MOD Single : A 11 GLN : amide:sc= -2! C(o=-2!,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0204 (180deg=-0.196) USER MOD Single : A 20 TYR OH : rot 59:sc= 1.1 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 34 SER OG : rot 73:sc= 1.11 USER MOD Single : A 35 GLN : amide:sc= 1.01 K(o=1,f=-0.0061) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 1.11 (180deg=-0.803!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.432 K(o=-0.43,f=-2) USER MOD Single : A 49 ASN : amide:sc= 0.453 K(o=0.45,f=-0.31) USER MOD Single : A 51 ASN : amide:sc= 1.45 K(o=1.5,f=-0.0016) USER MOD Single : A 54 CYS SG : rot 67:sc= -0.0682 USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= 1.37 (180deg=0.41) USER MOD Single : A 56 THR OG1 : rot 103:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 1.1 (180deg=0.563) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 70 MET CE :methyl -175:sc= 0 (180deg=-0.0698) USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.388 USER MOD Single : A 74 CYS SG : rot -101:sc= 0.11 USER MOD Single : A 75 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 4.284 -10.701 0.935 1.00 0.00 N ATOM 71 CA ILE A 6 3.095 -11.181 1.669 1.00 0.00 C ATOM 72 C ILE A 6 2.687 -10.206 2.759 1.00 0.00 C ATOM 73 O ILE A 6 1.497 -10.010 2.980 1.00 0.00 O ATOM 74 CB ILE A 6 3.276 -12.615 2.226 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.795 -12.741 3.689 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.170 -13.411 1.258 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.685 -12.688 4.764 1.00 0.00 C ATOM 0 HA ILE A 6 2.281 -11.232 0.945 1.00 0.00 H new ATOM 0 HB ILE A 6 2.270 -13.029 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.338 -13.681 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.508 -11.939 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.306 -14.424 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.697 -13.452 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.140 -12.922 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.132 -12.783 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.156 -11.738 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.983 -13.506 4.603 1.00 0.00 H new ATOM 89 N LEU A 7 3.693 -9.567 3.364 1.00 0.00 N ATOM 90 CA LEU A 7 3.647 -8.558 4.439 1.00 0.00 C ATOM 91 C LEU A 7 2.815 -7.284 4.144 1.00 0.00 C ATOM 92 O LEU A 7 2.872 -6.298 4.875 1.00 0.00 O ATOM 93 CB LEU A 7 5.100 -8.274 4.884 1.00 0.00 C ATOM 94 CG LEU A 7 6.106 -7.873 3.781 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.803 -6.513 3.146 1.00 0.00 C ATOM 96 CD2 LEU A 7 7.520 -7.840 4.361 1.00 0.00 C ATOM 0 H LEU A 7 4.657 -9.759 3.090 1.00 0.00 H new ATOM 0 HA LEU A 7 3.077 -8.980 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.077 -7.477 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.482 -9.165 5.383 1.00 0.00 H new ATOM 0 HG LEU A 7 6.018 -8.625 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.548 -6.295 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.812 -6.536 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.833 -5.739 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.227 -7.557 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.564 -7.113 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.779 -8.827 4.745 1.00 0.00 H new ATOM 108 N ASP A 8 2.052 -7.307 3.055 1.00 0.00 N ATOM 109 CA ASP A 8 1.001 -6.351 2.694 1.00 0.00 C ATOM 110 C ASP A 8 -0.348 -6.730 3.357 1.00 0.00 C ATOM 111 O ASP A 8 -1.240 -5.890 3.480 1.00 0.00 O ATOM 112 CB ASP A 8 0.889 -6.361 1.164 1.00 0.00 C ATOM 113 CG ASP A 8 0.102 -5.173 0.613 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.688 -4.087 0.380 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.100 -5.311 0.296 1.00 0.00 O ATOM 0 H ASP A 8 2.155 -8.040 2.353 1.00 0.00 H new ATOM 0 HA ASP A 8 1.251 -5.352 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.890 -6.358 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.408 -7.286 0.847 1.00 0.00 H new ATOM 120 N ILE A 9 -0.459 -7.977 3.841 1.00 0.00 N ATOM 121 CA ILE A 9 -1.538 -8.527 4.671 1.00 0.00 C ATOM 122 C ILE A 9 -0.976 -9.313 5.867 1.00 0.00 C ATOM 123 O ILE A 9 0.209 -9.645 5.912 1.00 0.00 O ATOM 124 CB ILE A 9 -2.469 -9.438 3.849 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.775 -10.711 3.316 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.171 -8.639 2.737 1.00 0.00 C ATOM 127 CD1 ILE A 9 -2.804 -11.721 2.803 1.00 0.00 C ATOM 0 H ILE A 9 0.257 -8.677 3.647 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.115 -7.681 5.044 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.234 -9.805 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.088 -10.446 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.179 -11.164 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.824 -9.302 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.764 -7.840 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.423 -8.208 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.290 -12.608 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.474 -12.002 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.382 -11.273 1.995 1.00 0.00 H new ATOM 139 N ARG A 10 -1.828 -9.639 6.855 1.00 0.00 N ATOM 140 CA ARG A 10 -1.461 -10.637 7.871 1.00 0.00 C ATOM 141 C ARG A 10 -1.493 -12.038 7.243 1.00 0.00 C ATOM 142 O ARG A 10 -2.246 -12.281 6.307 1.00 0.00 O ATOM 143 CB ARG A 10 -2.354 -10.522 9.123 1.00 0.00 C ATOM 144 CG ARG A 10 -3.829 -10.938 8.945 1.00 0.00 C ATOM 145 CD ARG A 10 -4.039 -12.457 9.104 1.00 0.00 C ATOM 146 NE ARG A 10 -4.878 -12.875 10.249 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.524 -12.996 11.513 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.402 -12.527 11.979 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.299 -13.625 12.338 1.00 0.00 N ATOM 0 H ARG A 10 -2.757 -9.234 6.970 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.445 -10.447 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.918 -11.134 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.328 -9.489 9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.442 -10.412 9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.174 -10.628 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.490 -12.840 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.063 -12.931 9.201 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.850 -13.097 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.755 -12.042 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.171 -12.645 12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.178 -14.024 12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.030 -13.722 13.317 1.00 0.00 H new ATOM 163 N GLN A 11 -0.714 -12.937 7.835 1.00 0.00 N ATOM 164 CA GLN A 11 -0.647 -14.382 7.581 1.00 0.00 C ATOM 165 C GLN A 11 -1.943 -15.161 7.960 1.00 0.00 C ATOM 166 O GLN A 11 -3.030 -14.735 7.594 1.00 0.00 O ATOM 167 CB GLN A 11 0.669 -14.943 8.162 1.00 0.00 C ATOM 168 CG GLN A 11 0.945 -14.737 9.667 1.00 0.00 C ATOM 169 CD GLN A 11 1.241 -13.288 10.050 1.00 0.00 C ATOM 170 OE1 GLN A 11 0.360 -12.574 10.510 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.425 -12.770 9.816 1.00 0.00 N ATOM 0 H GLN A 11 -0.058 -12.657 8.564 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.613 -14.546 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.692 -16.014 7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.495 -14.498 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.082 -15.084 10.235 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.790 -15.360 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.170 -13.352 9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.600 -11.786 10.018 1.00 0.00 H new ATOM 180 N GLY A 12 -1.895 -16.288 8.685 1.00 0.00 N ATOM 181 CA GLY A 12 -3.130 -17.030 8.988 1.00 0.00 C ATOM 182 C GLY A 12 -3.068 -18.221 9.955 1.00 0.00 C ATOM 183 O GLY A 12 -3.488 -19.317 9.595 1.00 0.00 O ATOM 0 H GLY A 12 -1.041 -16.698 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.851 -16.318 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.534 -17.394 8.044 1.00 0.00 H new ATOM 187 N PRO A 13 -2.572 -18.027 11.190 1.00 0.00 N ATOM 188 CA PRO A 13 -2.404 -19.073 12.214 1.00 0.00 C ATOM 189 C PRO A 13 -3.714 -19.659 12.762 1.00 0.00 C ATOM 190 O PRO A 13 -3.684 -20.609 13.543 1.00 0.00 O ATOM 191 CB PRO A 13 -1.575 -18.409 13.315 1.00 0.00 C ATOM 192 CG PRO A 13 -1.956 -16.936 13.189 1.00 0.00 C ATOM 193 CD PRO A 13 -2.156 -16.737 11.702 1.00 0.00 C ATOM 0 HA PRO A 13 -1.918 -19.945 11.778 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.820 -18.807 14.300 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.507 -18.564 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.864 -16.709 13.748 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.172 -16.286 13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.911 -15.975 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.235 -16.404 11.224 1.00 0.00 H new ATOM 201 N LYS A 14 -4.861 -19.101 12.362 1.00 0.00 N ATOM 202 CA LYS A 14 -6.213 -19.552 12.746 1.00 0.00 C ATOM 203 C LYS A 14 -7.150 -19.686 11.532 1.00 0.00 C ATOM 204 O LYS A 14 -8.287 -20.144 11.662 1.00 0.00 O ATOM 205 CB LYS A 14 -6.715 -18.547 13.797 1.00 0.00 C ATOM 206 CG LYS A 14 -8.103 -18.790 14.405 1.00 0.00 C ATOM 207 CD LYS A 14 -8.241 -20.175 15.057 1.00 0.00 C ATOM 208 CE LYS A 14 -9.628 -20.366 15.684 1.00 0.00 C ATOM 209 NZ LYS A 14 -9.873 -19.403 16.786 1.00 0.00 N ATOM 0 H LYS A 14 -4.880 -18.293 11.739 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.191 -20.557 13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.991 -18.522 14.611 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.716 -17.557 13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.306 -18.022 15.151 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.858 -18.685 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.069 -20.949 14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.475 -20.296 15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.393 -20.243 14.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.718 -21.384 16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.712 -19.698 17.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.047 -19.381 17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.032 -18.455 16.390 1.00 0.00 H new ATOM 223 N GLU A 15 -6.650 -19.300 10.366 1.00 0.00 N ATOM 224 CA GLU A 15 -7.341 -19.094 9.099 1.00 0.00 C ATOM 225 C GLU A 15 -7.401 -20.392 8.248 1.00 0.00 C ATOM 226 O GLU A 15 -7.048 -21.470 8.740 1.00 0.00 O ATOM 227 CB GLU A 15 -6.598 -17.922 8.417 1.00 0.00 C ATOM 228 CG GLU A 15 -7.060 -16.523 8.876 1.00 0.00 C ATOM 229 CD GLU A 15 -6.524 -15.999 10.226 1.00 0.00 C ATOM 230 OE1 GLU A 15 -5.691 -16.649 10.902 1.00 0.00 O ATOM 231 OE2 GLU A 15 -6.916 -14.868 10.594 1.00 0.00 O ATOM 0 H GLU A 15 -5.653 -19.104 10.274 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.393 -18.843 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.530 -18.021 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.733 -18.000 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.781 -15.807 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.149 -16.529 8.927 1.00 0.00 H new ATOM 238 N PRO A 16 -7.975 -20.376 7.023 1.00 0.00 N ATOM 239 CA PRO A 16 -8.054 -21.544 6.131 1.00 0.00 C ATOM 240 C PRO A 16 -6.715 -22.175 5.675 1.00 0.00 C ATOM 241 O PRO A 16 -5.667 -21.542 5.710 1.00 0.00 O ATOM 242 CB PRO A 16 -8.915 -21.098 4.955 1.00 0.00 C ATOM 243 CG PRO A 16 -9.704 -19.898 5.461 1.00 0.00 C ATOM 244 CD PRO A 16 -8.735 -19.271 6.449 1.00 0.00 C ATOM 0 HA PRO A 16 -8.485 -22.373 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.299 -20.829 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.581 -21.897 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.964 -19.212 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.637 -20.196 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.075 -18.561 5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.269 -18.721 7.224 1.00 0.00 H new ATOM 252 N PHE A 17 -6.756 -23.432 5.186 1.00 0.00 N ATOM 253 CA PHE A 17 -5.612 -24.050 4.470 1.00 0.00 C ATOM 254 C PHE A 17 -5.792 -23.727 2.978 1.00 0.00 C ATOM 255 O PHE A 17 -5.654 -22.564 2.672 1.00 0.00 O ATOM 256 CB PHE A 17 -5.367 -25.533 4.835 1.00 0.00 C ATOM 257 CG PHE A 17 -4.107 -25.792 5.665 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.932 -25.127 6.895 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.091 -26.671 5.212 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.748 -25.302 7.636 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.920 -26.870 5.972 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.739 -26.157 7.165 1.00 0.00 C ATOM 0 H PHE A 17 -7.569 -24.042 5.272 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.666 -23.619 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.231 -25.904 5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.304 -26.113 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.710 -24.480 7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.215 -27.194 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.615 -24.777 8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.167 -27.568 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.821 -26.266 7.723 1.00 0.00 H new ATOM 272 N ARG A 18 -6.171 -24.649 2.071 1.00 0.00 N ATOM 273 CA ARG A 18 -6.580 -24.398 0.653 1.00 0.00 C ATOM 274 C ARG A 18 -7.089 -22.970 0.359 1.00 0.00 C ATOM 275 O ARG A 18 -6.503 -22.209 -0.409 1.00 0.00 O ATOM 276 CB ARG A 18 -7.643 -25.426 0.168 1.00 0.00 C ATOM 277 CG ARG A 18 -7.944 -26.635 1.069 1.00 0.00 C ATOM 278 CD ARG A 18 -8.690 -26.303 2.377 1.00 0.00 C ATOM 279 NE ARG A 18 -10.130 -26.182 2.159 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.069 -27.064 1.898 1.00 0.00 C ATOM 281 NH1 ARG A 18 -10.934 -28.355 2.061 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.199 -26.598 1.460 1.00 0.00 N ATOM 0 H ARG A 18 -6.206 -25.641 2.307 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.652 -24.519 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.578 -24.889 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.322 -25.805 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.537 -27.353 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.003 -27.126 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.497 -27.082 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.304 -25.371 2.790 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.474 -25.224 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.055 -28.736 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.708 -28.981 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.322 -25.593 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.964 -27.237 1.241 1.00 0.00 H new ATOM 296 N ASP A 19 -8.164 -22.624 1.061 1.00 0.00 N ATOM 297 CA ASP A 19 -9.000 -21.439 0.873 1.00 0.00 C ATOM 298 C ASP A 19 -8.258 -20.124 1.215 1.00 0.00 C ATOM 299 O ASP A 19 -8.676 -19.050 0.782 1.00 0.00 O ATOM 300 CB ASP A 19 -10.330 -21.618 1.660 1.00 0.00 C ATOM 301 CG ASP A 19 -10.618 -23.067 2.121 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.917 -23.547 3.042 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.413 -23.808 1.500 1.00 0.00 O ATOM 0 H ASP A 19 -8.499 -23.204 1.831 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.243 -21.345 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.308 -20.970 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.155 -21.279 1.034 1.00 0.00 H new ATOM 308 N TYR A 20 -7.117 -20.222 1.913 1.00 0.00 N ATOM 309 CA TYR A 20 -6.177 -19.093 2.162 1.00 0.00 C ATOM 310 C TYR A 20 -4.753 -19.314 1.599 1.00 0.00 C ATOM 311 O TYR A 20 -4.090 -18.352 1.208 1.00 0.00 O ATOM 312 CB TYR A 20 -6.151 -18.714 3.658 1.00 0.00 C ATOM 313 CG TYR A 20 -4.878 -18.020 4.131 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.811 -18.813 4.595 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.718 -16.619 4.051 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.575 -18.226 4.922 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.489 -16.023 4.409 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.409 -16.832 4.819 1.00 0.00 C ATOM 319 OH TYR A 20 -1.195 -16.283 5.085 1.00 0.00 O ATOM 0 H TYR A 20 -6.806 -21.099 2.332 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.572 -18.249 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.000 -18.062 3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.293 -19.619 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.942 -19.880 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.538 -16.002 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.754 -18.845 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.376 -14.950 4.369 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.523 -16.669 4.485 1.00 0.00 H new ATOM 329 N VAL A 21 -4.287 -20.561 1.476 1.00 0.00 N ATOM 330 CA VAL A 21 -2.931 -20.906 1.027 1.00 0.00 C ATOM 331 C VAL A 21 -2.676 -20.395 -0.367 1.00 0.00 C ATOM 332 O VAL A 21 -1.626 -19.816 -0.595 1.00 0.00 O ATOM 333 CB VAL A 21 -2.621 -22.415 1.101 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.233 -23.322 0.034 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.115 -22.652 1.029 1.00 0.00 C ATOM 0 H VAL A 21 -4.855 -21.380 1.691 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.256 -20.412 1.726 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.082 -22.690 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.928 -24.353 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.320 -23.252 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.888 -23.009 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.912 -23.722 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.729 -22.256 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.627 -22.148 1.863 1.00 0.00 H new ATOM 345 N ASP A 22 -3.649 -20.530 -1.262 1.00 0.00 N ATOM 346 CA ASP A 22 -3.553 -20.026 -2.619 1.00 0.00 C ATOM 347 C ASP A 22 -3.309 -18.520 -2.670 1.00 0.00 C ATOM 348 O ASP A 22 -2.529 -18.002 -3.461 1.00 0.00 O ATOM 349 CB ASP A 22 -4.874 -20.380 -3.286 1.00 0.00 C ATOM 350 CG ASP A 22 -4.785 -21.700 -4.049 1.00 0.00 C ATOM 351 OD1 ASP A 22 -4.351 -22.704 -3.428 1.00 0.00 O ATOM 352 OD2 ASP A 22 -5.157 -21.675 -5.240 1.00 0.00 O ATOM 0 H ASP A 22 -4.533 -20.997 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.700 -20.474 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.657 -20.448 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.161 -19.582 -3.971 1.00 0.00 H new ATOM 357 N ARG A 23 -3.979 -17.811 -1.769 1.00 0.00 N ATOM 358 CA ARG A 23 -3.869 -16.362 -1.575 1.00 0.00 C ATOM 359 C ARG A 23 -2.484 -15.954 -1.096 1.00 0.00 C ATOM 360 O ARG A 23 -1.975 -14.948 -1.589 1.00 0.00 O ATOM 361 CB ARG A 23 -4.965 -15.837 -0.617 1.00 0.00 C ATOM 362 CG ARG A 23 -6.282 -16.618 -0.653 1.00 0.00 C ATOM 363 CD ARG A 23 -6.865 -16.769 -2.052 1.00 0.00 C ATOM 364 NE ARG A 23 -7.997 -15.850 -2.245 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.107 -16.123 -2.910 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.270 -17.243 -3.558 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.089 -15.263 -2.955 1.00 0.00 N ATOM 0 H ARG A 23 -4.642 -18.243 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.024 -15.899 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.576 -15.856 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.171 -14.795 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.119 -17.608 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.011 -16.114 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.095 -16.567 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.194 -17.797 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.919 -14.922 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.527 -17.942 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.140 -17.420 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.005 -14.368 -2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.940 -15.487 -3.472 1.00 0.00 H new ATOM 381 N PHE A 24 -1.872 -16.718 -0.193 1.00 0.00 N ATOM 382 CA PHE A 24 -0.566 -16.367 0.370 1.00 0.00 C ATOM 383 C PHE A 24 0.628 -16.931 -0.422 1.00 0.00 C ATOM 384 O PHE A 24 1.548 -16.186 -0.760 1.00 0.00 O ATOM 385 CB PHE A 24 -0.603 -16.869 1.806 1.00 0.00 C ATOM 386 CG PHE A 24 0.701 -16.922 2.566 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.734 -15.983 2.403 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.864 -17.970 3.475 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.945 -16.168 3.094 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.067 -18.142 4.158 1.00 0.00 C ATOM 391 CZ PHE A 24 3.137 -17.258 3.941 1.00 0.00 C ATOM 0 H PHE A 24 -2.261 -17.589 0.167 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.404 -15.290 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.291 -16.235 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.028 -17.873 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.600 -15.130 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.048 -18.655 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.742 -15.451 2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.177 -18.958 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.091 -17.420 4.422 1.00 0.00 H new ATOM 401 N TYR A 25 0.628 -18.217 -0.781 1.00 0.00 N ATOM 402 CA TYR A 25 1.687 -18.788 -1.631 1.00 0.00 C ATOM 403 C TYR A 25 1.839 -17.995 -2.950 1.00 0.00 C ATOM 404 O TYR A 25 2.974 -17.754 -3.366 1.00 0.00 O ATOM 405 CB TYR A 25 1.520 -20.299 -1.847 1.00 0.00 C ATOM 406 CG TYR A 25 2.354 -21.243 -0.983 1.00 0.00 C ATOM 407 CD1 TYR A 25 2.602 -20.974 0.377 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.879 -22.424 -1.553 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.390 -21.853 1.139 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.656 -23.318 -0.782 1.00 0.00 C ATOM 411 CZ TYR A 25 3.932 -23.024 0.572 1.00 0.00 C ATOM 412 OH TYR A 25 4.646 -23.881 1.358 1.00 0.00 O ATOM 0 H TYR A 25 -0.090 -18.885 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 25 2.629 -18.680 -1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.469 -20.544 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.747 -20.514 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.185 -20.089 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.684 -22.647 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.584 -21.627 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.038 -24.225 -1.227 1.00 0.00 H new ATOM 0 HH TYR A 25 5.321 -24.338 0.814 1.00 0.00 H new ATOM 422 N LYS A 26 0.741 -17.461 -3.522 1.00 0.00 N ATOM 423 CA LYS A 26 0.710 -16.488 -4.641 1.00 0.00 C ATOM 424 C LYS A 26 1.609 -15.253 -4.481 1.00 0.00 C ATOM 425 O LYS A 26 2.059 -14.712 -5.502 1.00 0.00 O ATOM 426 CB LYS A 26 -0.764 -16.105 -4.878 1.00 0.00 C ATOM 427 CG LYS A 26 -1.107 -14.837 -5.679 1.00 0.00 C ATOM 428 CD LYS A 26 -0.919 -13.540 -4.864 1.00 0.00 C ATOM 429 CE LYS A 26 -1.973 -12.472 -5.173 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.928 -12.024 -6.587 1.00 0.00 N ATOM 0 H LYS A 26 -0.196 -17.706 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 26 1.143 -16.978 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.241 -16.946 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.236 -16.009 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.479 -14.795 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.140 -14.898 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.954 -13.779 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.071 -13.132 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.964 -12.869 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.820 -11.614 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.660 -11.302 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.992 -11.620 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.101 -12.836 -7.214 1.00 0.00 H new ATOM 444 N THR A 27 1.898 -14.797 -3.261 1.00 0.00 N ATOM 445 CA THR A 27 2.855 -13.700 -2.985 1.00 0.00 C ATOM 446 C THR A 27 4.168 -14.214 -2.398 1.00 0.00 C ATOM 447 O THR A 27 5.226 -13.761 -2.826 1.00 0.00 O ATOM 448 CB THR A 27 2.283 -12.627 -2.039 1.00 0.00 C ATOM 449 OG1 THR A 27 1.553 -13.232 -1.005 1.00 0.00 O ATOM 450 CG2 THR A 27 1.314 -11.663 -2.720 1.00 0.00 C ATOM 0 H THR A 27 1.472 -15.179 -2.417 1.00 0.00 H new ATOM 0 HA THR A 27 3.044 -13.245 -3.957 1.00 0.00 H new ATOM 0 HB THR A 27 3.153 -12.076 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.196 -12.541 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.952 -10.936 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.827 -11.142 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.470 -12.221 -3.125 1.00 0.00 H new ATOM 458 N LEU A 28 4.136 -15.211 -1.506 1.00 0.00 N ATOM 459 CA LEU A 28 5.327 -15.841 -0.908 1.00 0.00 C ATOM 460 C LEU A 28 6.347 -16.306 -1.963 1.00 0.00 C ATOM 461 O LEU A 28 7.551 -16.098 -1.802 1.00 0.00 O ATOM 462 CB LEU A 28 4.859 -16.990 0.006 1.00 0.00 C ATOM 463 CG LEU A 28 5.999 -17.822 0.608 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.739 -18.182 2.062 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.193 -19.138 -0.152 1.00 0.00 C ATOM 0 H LEU A 28 3.262 -15.614 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 28 5.863 -15.101 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.262 -16.573 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.206 -17.650 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 28 6.888 -17.197 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.572 -18.771 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.638 -17.270 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.820 -18.764 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.008 -19.703 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.275 -19.724 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.434 -18.925 -1.193 1.00 0.00 H new ATOM 477 N ARG A 29 5.885 -16.842 -3.099 1.00 0.00 N ATOM 478 CA ARG A 29 6.723 -17.149 -4.278 1.00 0.00 C ATOM 479 C ARG A 29 7.449 -15.944 -4.934 1.00 0.00 C ATOM 480 O ARG A 29 8.032 -16.121 -6.000 1.00 0.00 O ATOM 481 CB ARG A 29 5.918 -18.035 -5.254 1.00 0.00 C ATOM 482 CG ARG A 29 4.683 -17.363 -5.874 1.00 0.00 C ATOM 483 CD ARG A 29 4.952 -16.651 -7.206 1.00 0.00 C ATOM 484 NE ARG A 29 4.250 -15.354 -7.231 1.00 0.00 N ATOM 485 CZ ARG A 29 4.731 -14.189 -7.612 1.00 0.00 C ATOM 486 NH1 ARG A 29 5.875 -14.069 -8.224 1.00 0.00 N ATOM 487 NH2 ARG A 29 4.052 -13.113 -7.332 1.00 0.00 N ATOM 0 H ARG A 29 4.902 -17.081 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 29 7.582 -17.717 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.580 -18.357 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.597 -18.933 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.912 -18.118 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.283 -16.640 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.023 -16.497 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.616 -17.273 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 29 3.280 -15.360 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.435 -14.897 -8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.210 -13.147 -8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.168 -13.184 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.404 -12.199 -7.617 1.00 0.00 H new ATOM 501 N ALA A 30 7.448 -14.760 -4.317 1.00 0.00 N ATOM 502 CA ALA A 30 8.261 -13.599 -4.700 1.00 0.00 C ATOM 503 C ALA A 30 9.304 -13.170 -3.638 1.00 0.00 C ATOM 504 O ALA A 30 10.178 -12.369 -3.960 1.00 0.00 O ATOM 505 CB ALA A 30 7.319 -12.442 -5.056 1.00 0.00 C ATOM 0 H ALA A 30 6.859 -14.575 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 30 8.859 -13.890 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.906 -11.570 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.678 -12.737 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.703 -12.195 -4.191 1.00 0.00 H new ATOM 511 N GLU A 31 9.276 -13.727 -2.416 1.00 0.00 N ATOM 512 CA GLU A 31 10.297 -13.468 -1.373 1.00 0.00 C ATOM 513 C GLU A 31 10.770 -14.724 -0.604 1.00 0.00 C ATOM 514 O GLU A 31 11.657 -14.645 0.239 1.00 0.00 O ATOM 515 CB GLU A 31 9.846 -12.324 -0.450 1.00 0.00 C ATOM 516 CG GLU A 31 8.710 -12.696 0.514 1.00 0.00 C ATOM 517 CD GLU A 31 8.104 -11.458 1.197 1.00 0.00 C ATOM 518 OE1 GLU A 31 8.810 -10.435 1.361 1.00 0.00 O ATOM 519 OE2 GLU A 31 6.884 -11.515 1.486 1.00 0.00 O ATOM 0 H GLU A 31 8.545 -14.372 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 31 11.197 -13.145 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.703 -11.984 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.524 -11.483 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.930 -13.227 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.089 -13.380 1.274 1.00 0.00 H new ATOM 526 N GLN A 32 10.216 -15.899 -0.920 1.00 0.00 N ATOM 527 CA GLN A 32 10.669 -17.241 -0.503 1.00 0.00 C ATOM 528 C GLN A 32 10.801 -18.189 -1.719 1.00 0.00 C ATOM 529 O GLN A 32 11.228 -19.334 -1.576 1.00 0.00 O ATOM 530 CB GLN A 32 9.672 -17.867 0.488 1.00 0.00 C ATOM 531 CG GLN A 32 9.363 -17.047 1.751 1.00 0.00 C ATOM 532 CD GLN A 32 10.542 -17.044 2.707 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.718 -17.952 3.506 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.396 -16.048 2.678 1.00 0.00 N ATOM 0 H GLN A 32 9.386 -15.947 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 32 11.642 -17.117 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.735 -18.051 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.060 -18.838 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.116 -16.023 1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.487 -17.461 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.264 -15.282 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.192 -16.040 3.316 1.00 0.00 H new ATOM 543 N ALA A 33 10.389 -17.708 -2.905 1.00 0.00 N ATOM 544 CA ALA A 33 10.421 -18.345 -4.230 1.00 0.00 C ATOM 545 C ALA A 33 9.984 -19.829 -4.331 1.00 0.00 C ATOM 546 O ALA A 33 10.273 -20.483 -5.332 1.00 0.00 O ATOM 547 CB ALA A 33 11.796 -18.064 -4.844 1.00 0.00 C ATOM 0 H ALA A 33 9.987 -16.773 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 33 9.623 -17.887 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.855 -18.524 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.940 -16.988 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.573 -18.481 -4.203 1.00 0.00 H new ATOM 553 N SER A 34 9.246 -20.348 -3.344 1.00 0.00 N ATOM 554 CA SER A 34 8.968 -21.781 -3.211 1.00 0.00 C ATOM 555 C SER A 34 7.464 -22.064 -3.156 1.00 0.00 C ATOM 556 O SER A 34 6.723 -21.423 -2.418 1.00 0.00 O ATOM 557 CB SER A 34 9.671 -22.324 -1.958 1.00 0.00 C ATOM 558 OG SER A 34 11.067 -22.080 -2.031 1.00 0.00 O ATOM 0 H SER A 34 8.822 -19.781 -2.610 1.00 0.00 H new ATOM 0 HA SER A 34 9.356 -22.290 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.258 -21.850 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.487 -23.394 -1.864 1.00 0.00 H new ATOM 0 HG SER A 34 11.241 -21.127 -1.884 1.00 0.00 H new ATOM 564 N GLN A 35 7.022 -23.053 -3.936 1.00 0.00 N ATOM 565 CA GLN A 35 5.635 -23.559 -3.988 1.00 0.00 C ATOM 566 C GLN A 35 5.556 -25.046 -3.573 1.00 0.00 C ATOM 567 O GLN A 35 4.486 -25.647 -3.538 1.00 0.00 O ATOM 568 CB GLN A 35 5.113 -23.320 -5.423 1.00 0.00 C ATOM 569 CG GLN A 35 3.628 -23.659 -5.676 1.00 0.00 C ATOM 570 CD GLN A 35 3.419 -24.871 -6.592 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.155 -24.743 -7.773 1.00 0.00 O ATOM 572 NE2 GLN A 35 3.523 -26.089 -6.106 1.00 0.00 N ATOM 0 H GLN A 35 7.641 -23.548 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 35 5.006 -23.028 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.272 -22.272 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.720 -23.909 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.140 -23.849 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.137 -22.792 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.743 -26.227 -5.120 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.383 -26.895 -6.715 1.00 0.00 H new ATOM 581 N GLU A 36 6.707 -25.629 -3.258 1.00 0.00 N ATOM 582 CA GLU A 36 6.983 -27.051 -3.073 1.00 0.00 C ATOM 583 C GLU A 36 6.945 -27.505 -1.596 1.00 0.00 C ATOM 584 O GLU A 36 6.729 -26.714 -0.677 1.00 0.00 O ATOM 585 CB GLU A 36 8.400 -27.227 -3.659 1.00 0.00 C ATOM 586 CG GLU A 36 8.739 -28.648 -4.107 1.00 0.00 C ATOM 587 CD GLU A 36 10.244 -28.847 -4.143 1.00 0.00 C ATOM 588 OE1 GLU A 36 10.926 -28.553 -5.146 1.00 0.00 O ATOM 589 OE2 GLU A 36 10.763 -29.263 -3.084 1.00 0.00 O ATOM 0 H GLU A 36 7.547 -25.069 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 36 6.222 -27.662 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.511 -26.557 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.128 -26.914 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.287 -29.369 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.317 -28.835 -5.095 1.00 0.00 H new ATOM 596 N VAL A 37 7.181 -28.804 -1.378 1.00 0.00 N ATOM 597 CA VAL A 37 7.506 -29.416 -0.076 1.00 0.00 C ATOM 598 C VAL A 37 8.725 -28.751 0.566 1.00 0.00 C ATOM 599 O VAL A 37 8.826 -28.699 1.791 1.00 0.00 O ATOM 600 CB VAL A 37 7.744 -30.927 -0.239 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.055 -31.331 -0.929 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.681 -31.640 1.107 1.00 0.00 C ATOM 0 H VAL A 37 7.150 -29.489 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 37 6.654 -29.262 0.587 1.00 0.00 H new ATOM 0 HB VAL A 37 6.936 -31.236 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.115 -32.418 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.082 -30.910 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.900 -30.952 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.853 -32.707 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.447 -31.236 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.698 -31.488 1.554 1.00 0.00 H new ATOM 612 N LYS A 38 9.636 -28.216 -0.268 1.00 0.00 N ATOM 613 CA LYS A 38 10.715 -27.295 0.174 1.00 0.00 C ATOM 614 C LYS A 38 10.164 -25.933 0.660 1.00 0.00 C ATOM 615 O LYS A 38 10.478 -24.872 0.126 1.00 0.00 O ATOM 616 CB LYS A 38 11.849 -27.139 -0.864 1.00 0.00 C ATOM 617 CG LYS A 38 12.847 -28.312 -0.833 1.00 0.00 C ATOM 618 CD LYS A 38 14.117 -28.053 -1.669 1.00 0.00 C ATOM 619 CE LYS A 38 13.860 -27.703 -3.143 1.00 0.00 C ATOM 620 NZ LYS A 38 13.256 -28.836 -3.877 1.00 0.00 N ATOM 0 H LYS A 38 9.650 -28.407 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 38 11.175 -27.772 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.416 -27.062 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.383 -26.208 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.134 -28.509 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.353 -29.210 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.677 -27.239 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.750 -28.939 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.200 -26.838 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.799 -27.420 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.749 -28.478 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.004 -29.491 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.589 -29.337 -3.255 1.00 0.00 H new ATOM 634 N ASN A 39 9.281 -25.981 1.651 1.00 0.00 N ATOM 635 CA ASN A 39 8.816 -24.866 2.468 1.00 0.00 C ATOM 636 C ASN A 39 9.999 -24.388 3.371 1.00 0.00 C ATOM 637 O ASN A 39 11.024 -25.069 3.469 1.00 0.00 O ATOM 638 CB ASN A 39 7.553 -25.417 3.171 1.00 0.00 C ATOM 639 CG ASN A 39 6.884 -24.500 4.173 1.00 0.00 C ATOM 640 OD1 ASN A 39 7.466 -24.168 5.181 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.652 -24.079 3.971 1.00 0.00 N ATOM 0 H ASN A 39 8.841 -26.860 1.923 1.00 0.00 H new ATOM 0 HA ASN A 39 8.527 -23.957 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.822 -25.677 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.822 -26.342 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.198 -23.480 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.152 -24.352 3.125 1.00 0.00 H new ATOM 648 N ALA A 40 9.900 -23.209 3.997 1.00 0.00 N ATOM 649 CA ALA A 40 11.013 -22.516 4.672 1.00 0.00 C ATOM 650 C ALA A 40 10.630 -21.880 6.032 1.00 0.00 C ATOM 651 O ALA A 40 9.526 -22.050 6.528 1.00 0.00 O ATOM 652 CB ALA A 40 11.567 -21.476 3.686 1.00 0.00 C ATOM 0 H ALA A 40 9.021 -22.694 4.052 1.00 0.00 H new ATOM 0 HA ALA A 40 11.775 -23.250 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.395 -20.940 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.919 -21.980 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.780 -20.770 3.422 1.00 0.00 H new ATOM 658 N MET A 41 11.545 -21.155 6.687 1.00 0.00 N ATOM 659 CA MET A 41 11.338 -20.603 8.042 1.00 0.00 C ATOM 660 C MET A 41 10.705 -19.196 8.040 1.00 0.00 C ATOM 661 O MET A 41 11.347 -18.202 8.371 1.00 0.00 O ATOM 662 CB MET A 41 12.639 -20.696 8.857 1.00 0.00 C ATOM 663 CG MET A 41 12.920 -22.156 9.234 1.00 0.00 C ATOM 664 SD MET A 41 14.456 -22.423 10.157 1.00 0.00 S ATOM 665 CE MET A 41 14.168 -24.133 10.686 1.00 0.00 C ATOM 0 H MET A 41 12.459 -20.930 6.293 1.00 0.00 H new ATOM 0 HA MET A 41 10.594 -21.221 8.544 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.470 -20.295 8.277 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.557 -20.089 9.758 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.086 -22.529 9.829 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.953 -22.752 8.322 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.017 -24.479 11.275 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.263 -24.179 11.292 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.051 -24.770 9.809 1.00 0.00 H new ATOM 675 N THR A 42 9.426 -19.138 7.661 1.00 0.00 N ATOM 676 CA THR A 42 8.549 -17.944 7.603 1.00 0.00 C ATOM 677 C THR A 42 7.130 -18.257 8.101 1.00 0.00 C ATOM 678 O THR A 42 6.821 -19.381 8.479 1.00 0.00 O ATOM 679 CB THR A 42 8.459 -17.387 6.156 1.00 0.00 C ATOM 680 OG1 THR A 42 8.561 -18.390 5.165 1.00 0.00 O ATOM 681 CG2 THR A 42 9.582 -16.390 5.937 1.00 0.00 C ATOM 0 H THR A 42 8.932 -19.979 7.363 1.00 0.00 H new ATOM 0 HA THR A 42 8.998 -17.196 8.257 1.00 0.00 H new ATOM 0 HB THR A 42 7.477 -16.923 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.386 -18.261 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.525 -15.995 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.487 -15.572 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.542 -16.886 6.080 1.00 0.00 H new ATOM 689 N GLU A 43 6.214 -17.285 8.061 1.00 0.00 N ATOM 690 CA GLU A 43 4.752 -17.459 8.228 1.00 0.00 C ATOM 691 C GLU A 43 4.063 -18.364 7.186 1.00 0.00 C ATOM 692 O GLU A 43 2.848 -18.408 7.074 1.00 0.00 O ATOM 693 CB GLU A 43 4.066 -16.101 8.169 1.00 0.00 C ATOM 694 CG GLU A 43 4.516 -15.269 6.971 1.00 0.00 C ATOM 695 CD GLU A 43 5.442 -14.188 7.515 1.00 0.00 C ATOM 696 OE1 GLU A 43 4.890 -13.257 8.155 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.666 -14.427 7.424 1.00 0.00 O ATOM 0 H GLU A 43 6.473 -16.311 7.905 1.00 0.00 H new ATOM 0 HA GLU A 43 4.647 -17.953 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.987 -16.245 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.275 -15.552 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.033 -15.890 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.659 -14.826 6.463 1.00 0.00 H new ATOM 704 N THR A 44 4.845 -19.057 6.387 1.00 0.00 N ATOM 705 CA THR A 44 4.547 -20.173 5.466 1.00 0.00 C ATOM 706 C THR A 44 3.777 -21.392 6.072 1.00 0.00 C ATOM 707 O THR A 44 4.064 -22.544 5.754 1.00 0.00 O ATOM 708 CB THR A 44 5.854 -20.498 4.740 1.00 0.00 C ATOM 709 OG1 THR A 44 5.625 -21.199 3.546 1.00 0.00 O ATOM 710 CG2 THR A 44 6.894 -21.204 5.580 1.00 0.00 C ATOM 0 H THR A 44 5.840 -18.834 6.352 1.00 0.00 H new ATOM 0 HA THR A 44 3.792 -19.856 4.747 1.00 0.00 H new ATOM 0 HB THR A 44 6.280 -19.522 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.481 -21.388 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.783 -21.391 4.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.158 -20.579 6.433 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.491 -22.152 5.936 1.00 0.00 H new ATOM 718 N LEU A 45 2.774 -21.166 6.942 1.00 0.00 N ATOM 719 CA LEU A 45 1.962 -22.135 7.728 1.00 0.00 C ATOM 720 C LEU A 45 1.137 -23.208 6.962 1.00 0.00 C ATOM 721 O LEU A 45 0.268 -23.857 7.535 1.00 0.00 O ATOM 722 CB LEU A 45 1.089 -21.409 8.794 1.00 0.00 C ATOM 723 CG LEU A 45 0.791 -19.901 8.697 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.034 -19.421 7.438 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.032 -19.488 9.902 1.00 0.00 C ATOM 0 H LEU A 45 2.477 -20.210 7.136 1.00 0.00 H new ATOM 0 HA LEU A 45 2.734 -22.740 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.127 -21.921 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.564 -21.577 9.761 1.00 0.00 H new ATOM 0 HG LEU A 45 1.776 -19.436 8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.113 -18.342 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.616 -19.665 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.935 -19.917 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.250 -18.422 9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.966 -20.049 9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.528 -19.696 10.814 1.00 0.00 H new ATOM 737 N LEU A 46 1.366 -23.399 5.669 1.00 0.00 N ATOM 738 CA LEU A 46 0.618 -24.283 4.766 1.00 0.00 C ATOM 739 C LEU A 46 1.309 -24.390 3.396 1.00 0.00 C ATOM 740 O LEU A 46 2.337 -23.763 3.176 1.00 0.00 O ATOM 741 CB LEU A 46 -0.869 -23.857 4.649 1.00 0.00 C ATOM 742 CG LEU A 46 -1.297 -22.379 4.587 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.009 -21.955 5.866 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.235 -21.361 4.187 1.00 0.00 C ATOM 0 H LEU A 46 2.123 -22.914 5.188 1.00 0.00 H new ATOM 0 HA LEU A 46 0.618 -25.282 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.262 -24.335 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.389 -24.298 5.499 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.989 -22.360 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.298 -20.907 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.899 -22.568 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.339 -22.087 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.671 -20.362 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.589 -21.395 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.138 -21.597 3.190 1.00 0.00 H new ATOM 756 N VAL A 47 0.751 -25.190 2.475 1.00 0.00 N ATOM 757 CA VAL A 47 1.325 -25.482 1.161 1.00 0.00 C ATOM 758 C VAL A 47 0.249 -25.604 0.075 1.00 0.00 C ATOM 759 O VAL A 47 -0.722 -26.354 0.239 1.00 0.00 O ATOM 760 CB VAL A 47 2.101 -26.820 1.202 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.211 -26.819 0.159 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.750 -27.165 2.541 1.00 0.00 C ATOM 0 H VAL A 47 -0.138 -25.664 2.633 1.00 0.00 H new ATOM 0 HA VAL A 47 1.987 -24.650 0.919 1.00 0.00 H new ATOM 0 HB VAL A 47 1.335 -27.571 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.749 -27.766 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.778 -26.689 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.902 -26.001 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.267 -28.121 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.465 -26.388 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.982 -27.233 3.311 1.00 0.00 H new ATOM 772 N GLN A 48 0.425 -24.930 -1.069 1.00 0.00 N ATOM 773 CA GLN A 48 -0.376 -25.195 -2.277 1.00 0.00 C ATOM 774 C GLN A 48 -0.250 -26.676 -2.661 1.00 0.00 C ATOM 775 O GLN A 48 -1.267 -27.351 -2.784 1.00 0.00 O ATOM 776 CB GLN A 48 0.049 -24.292 -3.448 1.00 0.00 C ATOM 777 CG GLN A 48 -0.507 -22.877 -3.243 1.00 0.00 C ATOM 778 CD GLN A 48 -0.172 -21.838 -4.325 1.00 0.00 C ATOM 779 OE1 GLN A 48 -0.397 -20.654 -4.158 1.00 0.00 O ATOM 780 NE2 GLN A 48 0.411 -22.163 -5.458 1.00 0.00 N ATOM 0 H GLN A 48 1.119 -24.192 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.418 -24.966 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.136 -24.259 -3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.318 -24.704 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.592 -22.946 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.140 -22.503 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.627 -23.139 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.647 -21.439 -6.136 1.00 0.00 H new ATOM 789 N ASN A 49 0.989 -27.196 -2.657 1.00 0.00 N ATOM 790 CA ASN A 49 1.383 -28.601 -2.849 1.00 0.00 C ATOM 791 C ASN A 49 0.724 -29.643 -1.912 1.00 0.00 C ATOM 792 O ASN A 49 0.950 -30.829 -2.116 1.00 0.00 O ATOM 793 CB ASN A 49 2.921 -28.684 -2.694 1.00 0.00 C ATOM 794 CG ASN A 49 3.610 -29.529 -3.730 1.00 0.00 C ATOM 795 OD1 ASN A 49 4.345 -29.057 -4.579 1.00 0.00 O ATOM 796 ND2 ASN A 49 3.389 -30.804 -3.661 1.00 0.00 N ATOM 0 H ASN A 49 1.803 -26.599 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 49 1.026 -28.872 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.332 -27.675 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.152 -29.083 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.835 -31.436 -4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.769 -31.176 -2.941 1.00 0.00 H new ATOM 803 N ALA A 50 -0.016 -29.238 -0.873 1.00 0.00 N ATOM 804 CA ALA A 50 -0.735 -30.167 0.003 1.00 0.00 C ATOM 805 C ALA A 50 -2.030 -30.704 -0.637 1.00 0.00 C ATOM 806 O ALA A 50 -2.598 -30.070 -1.532 1.00 0.00 O ATOM 807 CB ALA A 50 -1.042 -29.459 1.331 1.00 0.00 C ATOM 0 H ALA A 50 -0.132 -28.258 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.097 -31.034 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.577 -30.141 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.109 -29.153 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.658 -28.580 1.141 1.00 0.00 H new ATOM 813 N ASN A 51 -2.585 -31.768 -0.069 1.00 0.00 N ATOM 814 CA ASN A 51 -3.727 -32.517 -0.596 1.00 0.00 C ATOM 815 C ASN A 51 -4.961 -32.303 0.314 1.00 0.00 C ATOM 816 O ASN A 51 -4.819 -31.758 1.420 1.00 0.00 O ATOM 817 CB ASN A 51 -3.336 -33.997 -0.835 1.00 0.00 C ATOM 818 CG ASN A 51 -1.931 -34.388 -0.462 1.00 0.00 C ATOM 819 OD1 ASN A 51 -0.992 -34.106 -1.182 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.725 -34.999 0.672 1.00 0.00 N ATOM 0 H ASN A 51 -2.239 -32.152 0.810 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.018 -32.140 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.026 -34.627 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.484 -34.223 -1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.776 -35.241 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.513 -35.235 1.275 1.00 0.00 H new ATOM 827 N PRO A 52 -6.192 -32.611 -0.153 1.00 0.00 N ATOM 828 CA PRO A 52 -7.434 -32.221 0.529 1.00 0.00 C ATOM 829 C PRO A 52 -7.563 -32.771 1.954 1.00 0.00 C ATOM 830 O PRO A 52 -8.156 -32.095 2.799 1.00 0.00 O ATOM 831 CB PRO A 52 -8.578 -32.682 -0.381 1.00 0.00 C ATOM 832 CG PRO A 52 -7.958 -33.798 -1.218 1.00 0.00 C ATOM 833 CD PRO A 52 -6.503 -33.360 -1.364 1.00 0.00 C ATOM 0 HA PRO A 52 -7.451 -31.141 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.428 -33.043 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.942 -31.868 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.039 -34.765 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.448 -33.894 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.844 -34.221 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.367 -32.742 -2.252 1.00 0.00 H new ATOM 841 N ASP A 53 -6.977 -33.941 2.210 1.00 0.00 N ATOM 842 CA ASP A 53 -6.762 -34.543 3.530 1.00 0.00 C ATOM 843 C ASP A 53 -6.033 -33.582 4.487 1.00 0.00 C ATOM 844 O ASP A 53 -6.687 -32.928 5.300 1.00 0.00 O ATOM 845 CB ASP A 53 -6.018 -35.888 3.362 1.00 0.00 C ATOM 846 CG ASP A 53 -4.902 -35.813 2.313 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.241 -35.955 1.124 1.00 0.00 O ATOM 848 OD2 ASP A 53 -3.759 -35.422 2.657 1.00 0.00 O ATOM 0 H ASP A 53 -6.618 -34.530 1.459 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.729 -34.740 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.593 -36.187 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.731 -36.661 3.075 1.00 0.00 H new ATOM 853 N CYS A 54 -4.706 -33.439 4.388 1.00 0.00 N ATOM 854 CA CYS A 54 -3.893 -32.664 5.330 1.00 0.00 C ATOM 855 C CYS A 54 -4.429 -31.237 5.479 1.00 0.00 C ATOM 856 O CYS A 54 -4.645 -30.750 6.582 1.00 0.00 O ATOM 857 CB CYS A 54 -2.421 -32.717 4.906 1.00 0.00 C ATOM 858 SG CYS A 54 -1.879 -34.442 5.037 1.00 0.00 S ATOM 0 H CYS A 54 -4.160 -33.865 3.640 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.960 -33.109 6.323 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.303 -32.354 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.815 -32.075 5.545 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.498 -35.160 4.148 1.00 0.00 H new ATOM 864 N LYS A 55 -4.799 -30.598 4.375 1.00 0.00 N ATOM 865 CA LYS A 55 -5.451 -29.289 4.402 1.00 0.00 C ATOM 866 C LYS A 55 -6.670 -29.215 5.323 1.00 0.00 C ATOM 867 O LYS A 55 -6.779 -28.278 6.108 1.00 0.00 O ATOM 868 CB LYS A 55 -5.854 -28.971 2.972 1.00 0.00 C ATOM 869 CG LYS A 55 -4.673 -28.518 2.082 1.00 0.00 C ATOM 870 CD LYS A 55 -4.930 -28.726 0.575 1.00 0.00 C ATOM 871 CE LYS A 55 -4.636 -27.509 -0.327 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.241 -27.462 -0.831 1.00 0.00 N ATOM 0 H LYS A 55 -4.657 -30.970 3.436 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.748 -28.562 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.315 -29.854 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.612 -28.187 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.472 -27.463 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.778 -29.069 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.322 -29.564 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.973 -29.013 0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.319 -27.524 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.842 -26.596 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.201 -26.875 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.622 -27.053 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.920 -28.425 -1.056 1.00 0.00 H new ATOM 886 N THR A 56 -7.587 -30.169 5.232 1.00 0.00 N ATOM 887 CA THR A 56 -8.799 -30.189 6.058 1.00 0.00 C ATOM 888 C THR A 56 -8.524 -30.741 7.467 1.00 0.00 C ATOM 889 O THR A 56 -9.298 -30.496 8.387 1.00 0.00 O ATOM 890 CB THR A 56 -9.933 -30.925 5.327 1.00 0.00 C ATOM 891 OG1 THR A 56 -9.965 -30.476 3.980 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.311 -30.627 5.915 1.00 0.00 C ATOM 0 H THR A 56 -7.517 -30.954 4.585 1.00 0.00 H new ATOM 0 HA THR A 56 -9.132 -29.162 6.211 1.00 0.00 H new ATOM 0 HB THR A 56 -9.732 -31.992 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.556 -31.152 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.071 -31.175 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.335 -30.935 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.512 -29.558 5.847 1.00 0.00 H new ATOM 900 N ILE A 57 -7.385 -31.414 7.651 1.00 0.00 N ATOM 901 CA ILE A 57 -6.901 -31.945 8.944 1.00 0.00 C ATOM 902 C ILE A 57 -6.290 -30.841 9.807 1.00 0.00 C ATOM 903 O ILE A 57 -6.827 -30.538 10.871 1.00 0.00 O ATOM 904 CB ILE A 57 -5.908 -33.097 8.678 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.715 -34.358 8.314 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.891 -33.388 9.800 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.849 -35.384 7.587 1.00 0.00 C ATOM 0 H ILE A 57 -6.746 -31.615 6.881 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.744 -32.340 9.512 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.276 -32.772 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.125 -34.803 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.560 -34.081 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.247 -34.215 9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.283 -32.501 9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.423 -33.654 10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.450 -36.261 7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.460 -34.946 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.018 -35.679 8.228 1.00 0.00 H new ATOM 919 N LEU A 58 -5.226 -30.169 9.342 1.00 0.00 N ATOM 920 CA LEU A 58 -4.637 -29.032 10.051 1.00 0.00 C ATOM 921 C LEU A 58 -5.623 -27.903 10.265 1.00 0.00 C ATOM 922 O LEU A 58 -5.530 -27.185 11.258 1.00 0.00 O ATOM 923 CB LEU A 58 -3.466 -28.457 9.280 1.00 0.00 C ATOM 924 CG LEU A 58 -2.270 -29.409 9.285 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.169 -30.226 8.009 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.018 -28.586 9.499 1.00 0.00 C ATOM 0 H LEU A 58 -4.754 -30.400 8.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.319 -29.427 11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.769 -28.257 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.174 -27.502 9.718 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.398 -30.131 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.302 -30.885 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.072 -30.824 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.060 -29.556 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.148 -29.243 9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.918 -27.860 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.086 -28.062 10.452 1.00 0.00 H new ATOM 938 N LYS A 59 -6.608 -27.791 9.375 1.00 0.00 N ATOM 939 CA LYS A 59 -7.754 -26.908 9.634 1.00 0.00 C ATOM 940 C LYS A 59 -8.373 -27.051 11.032 1.00 0.00 C ATOM 941 O LYS A 59 -8.892 -26.058 11.541 1.00 0.00 O ATOM 942 CB LYS A 59 -8.820 -27.097 8.573 1.00 0.00 C ATOM 943 CG LYS A 59 -8.689 -26.061 7.460 1.00 0.00 C ATOM 944 CD LYS A 59 -9.527 -24.790 7.712 1.00 0.00 C ATOM 945 CE LYS A 59 -8.821 -23.725 8.575 1.00 0.00 C ATOM 946 NZ LYS A 59 -9.050 -23.799 10.031 1.00 0.00 N ATOM 0 H LYS A 59 -6.641 -28.288 8.485 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.350 -25.896 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.741 -28.099 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.807 -27.020 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.641 -25.782 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.997 -26.510 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.790 -24.346 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.460 -25.075 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.748 -23.796 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.138 -22.741 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.208 -23.451 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.871 -23.213 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.232 -24.786 10.304 1.00 0.00 H new ATOM 960 N ALA A 60 -8.316 -28.237 11.626 1.00 0.00 N ATOM 961 CA ALA A 60 -8.636 -28.494 13.032 1.00 0.00 C ATOM 962 C ALA A 60 -7.367 -28.680 13.895 1.00 0.00 C ATOM 963 O ALA A 60 -7.376 -28.368 15.084 1.00 0.00 O ATOM 964 CB ALA A 60 -9.543 -29.729 13.102 1.00 0.00 C ATOM 0 H ALA A 60 -8.035 -29.080 11.126 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.154 -27.627 13.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.793 -29.938 14.142 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.457 -29.541 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.024 -30.587 12.675 1.00 0.00 H new ATOM 970 N LEU A 61 -6.253 -29.117 13.300 1.00 0.00 N ATOM 971 CA LEU A 61 -4.988 -29.427 13.964 1.00 0.00 C ATOM 972 C LEU A 61 -3.964 -28.285 13.826 1.00 0.00 C ATOM 973 O LEU A 61 -2.831 -28.461 13.380 1.00 0.00 O ATOM 974 CB LEU A 61 -4.507 -30.829 13.524 1.00 0.00 C ATOM 975 CG LEU A 61 -4.295 -31.763 14.730 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.626 -32.160 15.378 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.601 -33.054 14.307 1.00 0.00 C ATOM 0 H LEU A 61 -6.209 -29.271 12.293 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.132 -29.488 15.043 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.239 -31.269 12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.574 -30.736 12.968 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.682 -31.208 15.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.436 -32.819 16.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.144 -31.265 15.723 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.246 -32.679 14.647 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.464 -33.695 15.178 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.213 -33.571 13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.629 -32.819 13.872 1.00 0.00 H new ATOM 989 N GLY A 62 -4.371 -27.107 14.297 1.00 0.00 N ATOM 990 CA GLY A 62 -3.518 -25.930 14.480 1.00 0.00 C ATOM 991 C GLY A 62 -3.265 -25.611 15.959 1.00 0.00 C ATOM 992 O GLY A 62 -3.674 -24.542 16.411 1.00 0.00 O ATOM 0 H GLY A 62 -5.339 -26.938 14.572 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.564 -26.095 13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.985 -25.069 14.001 1.00 0.00 H new ATOM 996 N PRO A 63 -2.600 -26.487 16.746 1.00 0.00 N ATOM 997 CA PRO A 63 -2.238 -26.228 18.145 1.00 0.00 C ATOM 998 C PRO A 63 -1.021 -25.282 18.245 1.00 0.00 C ATOM 999 O PRO A 63 -0.083 -25.540 18.993 1.00 0.00 O ATOM 1000 CB PRO A 63 -1.963 -27.622 18.724 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.280 -28.321 17.552 1.00 0.00 C ATOM 1002 CD PRO A 63 -2.067 -27.789 16.356 1.00 0.00 C ATOM 0 HA PRO A 63 -3.022 -25.714 18.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.321 -27.579 19.604 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.881 -28.128 19.023 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.222 -28.068 17.488 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.344 -29.406 17.632 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.424 -27.697 15.481 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.873 -28.472 16.089 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.983 -24.246 17.399 1.00 0.00 N ATOM 1011 CA ALA A 64 0.102 -23.276 17.194 1.00 0.00 C ATOM 1012 C ALA A 64 1.524 -23.804 16.864 1.00 0.00 C ATOM 1013 O ALA A 64 2.330 -23.004 16.405 1.00 0.00 O ATOM 1014 CB ALA A 64 0.109 -22.296 18.377 1.00 0.00 C ATOM 0 H ALA A 64 -1.776 -24.047 16.789 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.145 -22.786 16.252 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.909 -21.568 18.242 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.849 -21.778 18.426 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.272 -22.846 19.304 1.00 0.00 H new ATOM 1020 N ALA A 65 1.841 -25.095 17.039 1.00 0.00 N ATOM 1021 CA ALA A 65 3.213 -25.621 16.930 1.00 0.00 C ATOM 1022 C ALA A 65 3.318 -26.907 16.094 1.00 0.00 C ATOM 1023 O ALA A 65 3.960 -26.882 15.054 1.00 0.00 O ATOM 1024 CB ALA A 65 3.771 -25.806 18.347 1.00 0.00 C ATOM 0 H ALA A 65 1.149 -25.810 17.262 1.00 0.00 H new ATOM 0 HA ALA A 65 3.816 -24.897 16.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.788 -26.195 18.290 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.779 -24.846 18.863 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.144 -26.508 18.896 1.00 0.00 H new ATOM 1030 N THR A 66 2.624 -28.008 16.430 1.00 0.00 N ATOM 1031 CA THR A 66 2.731 -29.289 15.675 1.00 0.00 C ATOM 1032 C THR A 66 2.434 -29.164 14.174 1.00 0.00 C ATOM 1033 O THR A 66 2.840 -29.983 13.360 1.00 0.00 O ATOM 1034 CB THR A 66 1.812 -30.384 16.245 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.584 -30.211 17.628 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.421 -31.772 16.056 1.00 0.00 C ATOM 0 H THR A 66 1.979 -28.046 17.219 1.00 0.00 H new ATOM 0 HA THR A 66 3.778 -29.567 15.797 1.00 0.00 H new ATOM 0 HB THR A 66 0.873 -30.300 15.699 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.995 -30.923 17.954 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.748 -32.524 16.469 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.570 -31.962 14.993 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.380 -31.822 16.571 1.00 0.00 H new ATOM 1044 N LEU A 67 1.742 -28.099 13.784 1.00 0.00 N ATOM 1045 CA LEU A 67 1.548 -27.691 12.400 1.00 0.00 C ATOM 1046 C LEU A 67 2.843 -27.737 11.575 1.00 0.00 C ATOM 1047 O LEU A 67 2.833 -28.253 10.468 1.00 0.00 O ATOM 1048 CB LEU A 67 0.976 -26.279 12.478 1.00 0.00 C ATOM 1049 CG LEU A 67 0.356 -25.638 11.221 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.366 -24.125 11.422 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.117 -25.967 9.959 1.00 0.00 C ATOM 0 H LEU A 67 1.285 -27.474 14.448 1.00 0.00 H new ATOM 0 HA LEU A 67 0.878 -28.377 11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.211 -26.279 13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.776 -25.622 12.819 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.652 -26.033 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.067 -23.639 10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.220 -23.871 12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.392 -23.783 11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.634 -25.488 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.141 -25.604 10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.126 -27.047 9.811 1.00 0.00 H new ATOM 1063 N GLU A 68 3.948 -27.217 12.094 1.00 0.00 N ATOM 1064 CA GLU A 68 5.238 -27.163 11.380 1.00 0.00 C ATOM 1065 C GLU A 68 5.656 -28.489 10.725 1.00 0.00 C ATOM 1066 O GLU A 68 6.179 -28.487 9.611 1.00 0.00 O ATOM 1067 CB GLU A 68 6.351 -26.715 12.347 1.00 0.00 C ATOM 1068 CG GLU A 68 6.071 -25.339 12.938 1.00 0.00 C ATOM 1069 CD GLU A 68 7.193 -24.862 13.882 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.139 -25.249 15.072 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.090 -24.124 13.411 1.00 0.00 O ATOM 0 H GLU A 68 3.985 -26.815 13.031 1.00 0.00 H new ATOM 0 HA GLU A 68 5.097 -26.445 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.447 -27.443 13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.304 -26.696 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.950 -24.618 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.128 -25.367 13.484 1.00 0.00 H new ATOM 1078 N GLU A 69 5.358 -29.617 11.373 1.00 0.00 N ATOM 1079 CA GLU A 69 5.514 -30.946 10.733 1.00 0.00 C ATOM 1080 C GLU A 69 4.364 -31.303 9.775 1.00 0.00 C ATOM 1081 O GLU A 69 4.575 -31.864 8.698 1.00 0.00 O ATOM 1082 CB GLU A 69 5.713 -32.050 11.790 1.00 0.00 C ATOM 1083 CG GLU A 69 4.451 -32.525 12.536 1.00 0.00 C ATOM 1084 CD GLU A 69 4.094 -33.990 12.241 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.444 -34.228 11.197 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.443 -34.842 13.091 1.00 0.00 O ATOM 0 H GLU A 69 5.010 -29.649 12.331 1.00 0.00 H new ATOM 0 HA GLU A 69 6.412 -30.881 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.165 -32.913 11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.430 -31.690 12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.602 -32.403 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.611 -31.889 12.258 1.00 0.00 H new ATOM 1093 N MET A 70 3.135 -30.930 10.136 1.00 0.00 N ATOM 1094 CA MET A 70 1.917 -31.329 9.429 1.00 0.00 C ATOM 1095 C MET A 70 1.777 -30.662 8.053 1.00 0.00 C ATOM 1096 O MET A 70 1.220 -31.237 7.115 1.00 0.00 O ATOM 1097 CB MET A 70 0.738 -30.971 10.310 1.00 0.00 C ATOM 1098 CG MET A 70 0.647 -31.590 11.687 1.00 0.00 C ATOM 1099 SD MET A 70 -0.665 -32.824 11.885 1.00 0.00 S ATOM 1100 CE MET A 70 0.256 -34.300 11.371 1.00 0.00 C ATOM 0 H MET A 70 2.955 -30.332 10.942 1.00 0.00 H new ATOM 0 HA MET A 70 1.960 -32.401 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.734 -29.888 10.433 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.171 -31.233 9.769 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.603 -32.057 11.923 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.491 -30.795 12.417 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.417 -35.157 11.342 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.680 -34.138 10.380 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.059 -34.493 12.082 1.00 0.00 H new ATOM 1110 N MET A 71 2.301 -29.439 7.946 1.00 0.00 N ATOM 1111 CA MET A 71 2.438 -28.668 6.708 1.00 0.00 C ATOM 1112 C MET A 71 3.234 -29.483 5.692 1.00 0.00 C ATOM 1113 O MET A 71 2.785 -29.661 4.563 1.00 0.00 O ATOM 1114 CB MET A 71 3.062 -27.282 7.011 1.00 0.00 C ATOM 1115 CG MET A 71 3.905 -26.632 5.888 1.00 0.00 C ATOM 1116 SD MET A 71 5.657 -27.110 5.871 1.00 0.00 S ATOM 1117 CE MET A 71 6.272 -26.142 7.279 1.00 0.00 C ATOM 0 H MET A 71 2.658 -28.936 8.758 1.00 0.00 H new ATOM 0 HA MET A 71 1.461 -28.473 6.267 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.255 -26.596 7.269 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.692 -27.380 7.895 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.463 -26.892 4.926 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.840 -25.548 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.346 -26.295 7.384 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.071 -25.084 7.109 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.768 -26.465 8.190 1.00 0.00 H new ATOM 1127 N THR A 72 4.384 -30.015 6.098 1.00 0.00 N ATOM 1128 CA THR A 72 5.228 -30.873 5.266 1.00 0.00 C ATOM 1129 C THR A 72 4.633 -32.258 5.081 1.00 0.00 C ATOM 1130 O THR A 72 4.608 -32.725 3.949 1.00 0.00 O ATOM 1131 CB THR A 72 6.625 -31.064 5.874 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.804 -30.473 7.142 1.00 0.00 O ATOM 1133 CG2 THR A 72 7.722 -30.499 4.975 1.00 0.00 C ATOM 0 H THR A 72 4.764 -29.860 7.032 1.00 0.00 H new ATOM 0 HA THR A 72 5.295 -30.361 4.306 1.00 0.00 H new ATOM 0 HB THR A 72 6.701 -32.147 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.204 -30.899 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.693 -30.656 5.444 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.699 -31.006 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.558 -29.431 4.828 1.00 0.00 H new ATOM 1141 N ALA A 73 4.122 -32.897 6.140 1.00 0.00 N ATOM 1142 CA ALA A 73 3.732 -34.310 6.158 1.00 0.00 C ATOM 1143 C ALA A 73 2.820 -34.705 4.991 1.00 0.00 C ATOM 1144 O ALA A 73 2.964 -35.793 4.427 1.00 0.00 O ATOM 1145 CB ALA A 73 3.073 -34.626 7.506 1.00 0.00 C ATOM 0 H ALA A 73 3.964 -32.431 7.033 1.00 0.00 H new ATOM 0 HA ALA A 73 4.636 -34.906 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.779 -35.675 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.780 -34.429 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.191 -33.999 7.636 1.00 0.00 H new ATOM 1151 N CYS A 74 1.954 -33.784 4.558 1.00 0.00 N ATOM 1152 CA CYS A 74 1.105 -33.944 3.375 1.00 0.00 C ATOM 1153 C CYS A 74 1.818 -34.458 2.107 1.00 0.00 C ATOM 1154 O CYS A 74 1.188 -35.111 1.281 1.00 0.00 O ATOM 1155 CB CYS A 74 0.381 -32.618 3.127 1.00 0.00 C ATOM 1156 SG CYS A 74 1.492 -31.392 2.372 1.00 0.00 S ATOM 0 H CYS A 74 1.821 -32.889 5.029 1.00 0.00 H new ATOM 0 HA CYS A 74 0.397 -34.743 3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.476 -32.785 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.006 -32.230 4.069 1.00 0.00 H new ATOM 0 HG CYS A 74 1.900 -30.558 3.282 1.00 0.00 H new ATOM 1162 N GLN A 75 3.131 -34.238 2.001 1.00 0.00 N ATOM 1163 CA GLN A 75 4.042 -34.762 0.984 1.00 0.00 C ATOM 1164 C GLN A 75 4.021 -36.283 0.763 1.00 0.00 C ATOM 1165 O GLN A 75 4.486 -36.758 -0.270 1.00 0.00 O ATOM 1166 CB GLN A 75 5.457 -34.340 1.405 1.00 0.00 C ATOM 1167 CG GLN A 75 6.055 -35.139 2.582 1.00 0.00 C ATOM 1168 CD GLN A 75 7.416 -34.595 2.992 1.00 0.00 C ATOM 1169 OE1 GLN A 75 7.562 -33.634 3.722 1.00 0.00 O ATOM 1170 NE2 GLN A 75 8.499 -35.173 2.527 1.00 0.00 N ATOM 0 H GLN A 75 3.619 -33.646 2.673 1.00 0.00 H new ATOM 0 HA GLN A 75 3.713 -34.350 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.120 -34.439 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.439 -33.284 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.375 -35.099 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.151 -36.187 2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.421 -35.982 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.419 -34.813 2.782 1.00 0.00 H new