USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 542 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 26 SER OG : rot -89:sc= 0.876 USER MOD Set 1.2: A 32 MET CE :methyl -124:sc= -3.37! (180deg=-4.76!) USER MOD Set 2.1: A 16 GLN : amide:sc= -5.36! C(o=-15!,f=-13!) USER MOD Set 2.2: A 60 CYS SG : rot 150:sc= -9.51! USER MOD Single : A 13 THR OG1 : rot -47:sc= -0.85 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0123 (180deg=-0.17) USER MOD Single : A 25 ASN : amide:sc= 0.833 K(o=0.83,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.41 K(o=1.4,f=-8.3!) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.467) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -83:sc= 1.01 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0387 (180deg=-0.28) USER MOD Single : A 74 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : A 77 THR OG1 : rot 82:sc= 0.0663 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -18.039 -6.241 -6.161 1.00 0.00 N ATOM 130 CA THR A 13 -17.719 -6.891 -7.426 1.00 0.00 C ATOM 131 C THR A 13 -16.734 -8.036 -7.221 1.00 0.00 C ATOM 132 O THR A 13 -16.227 -8.244 -6.119 1.00 0.00 O ATOM 133 CB THR A 13 -17.125 -5.892 -8.436 1.00 0.00 C ATOM 134 OG1 THR A 13 -16.123 -5.090 -7.801 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.211 -4.994 -9.011 1.00 0.00 C ATOM 0 HA THR A 13 -18.654 -7.286 -7.824 1.00 0.00 H new ATOM 0 HB THR A 13 -16.674 -6.458 -9.251 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.466 -4.755 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.768 -4.297 -9.722 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.957 -5.605 -9.519 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.687 -4.436 -8.204 1.00 0.00 H new ATOM 143 N LYS A 14 -16.465 -8.777 -8.291 1.00 0.00 N ATOM 144 CA LYS A 14 -15.538 -9.901 -8.231 1.00 0.00 C ATOM 145 C LYS A 14 -14.113 -9.417 -7.984 1.00 0.00 C ATOM 146 O LYS A 14 -13.465 -9.832 -7.023 1.00 0.00 O ATOM 147 CB LYS A 14 -15.597 -10.707 -9.530 1.00 0.00 C ATOM 148 CG LYS A 14 -16.987 -11.219 -9.866 1.00 0.00 C ATOM 149 CD LYS A 14 -17.332 -12.464 -9.066 1.00 0.00 C ATOM 150 CE LYS A 14 -18.831 -12.587 -8.845 1.00 0.00 C ATOM 151 NZ LYS A 14 -19.334 -11.578 -7.872 1.00 0.00 N ATOM 0 H LYS A 14 -16.876 -8.619 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.835 -10.541 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.240 -10.084 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.916 -11.554 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.722 -10.440 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.046 -11.442 -10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.967 -13.347 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.823 -12.432 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.349 -12.464 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.063 -13.588 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.266 -11.873 -7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.669 -11.501 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.419 -10.654 -8.342 1.00 0.00 H new ATOM 165 N GLU A 15 -13.631 -8.538 -8.857 1.00 0.00 N ATOM 166 CA GLU A 15 -12.282 -7.999 -8.732 1.00 0.00 C ATOM 167 C GLU A 15 -11.923 -7.766 -7.267 1.00 0.00 C ATOM 168 O GLU A 15 -10.835 -8.127 -6.820 1.00 0.00 O ATOM 169 CB GLU A 15 -12.158 -6.689 -9.513 1.00 0.00 C ATOM 170 CG GLU A 15 -11.719 -6.879 -10.955 1.00 0.00 C ATOM 171 CD GLU A 15 -12.847 -7.351 -11.851 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.658 -6.503 -12.279 1.00 0.00 O ATOM 173 OE2 GLU A 15 -12.919 -8.567 -12.124 1.00 0.00 O ATOM 0 H GLU A 15 -14.154 -8.184 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.587 -8.729 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.119 -6.175 -9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.443 -6.040 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.326 -5.937 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.905 -7.603 -10.991 1.00 0.00 H new ATOM 180 N GLN A 16 -12.846 -7.160 -6.526 1.00 0.00 N ATOM 181 CA GLN A 16 -12.626 -6.878 -5.113 1.00 0.00 C ATOM 182 C GLN A 16 -12.395 -8.167 -4.330 1.00 0.00 C ATOM 183 O GLN A 16 -11.332 -8.367 -3.744 1.00 0.00 O ATOM 184 CB GLN A 16 -13.820 -6.120 -4.531 1.00 0.00 C ATOM 185 CG GLN A 16 -14.102 -4.800 -5.229 1.00 0.00 C ATOM 186 CD GLN A 16 -14.992 -3.885 -4.411 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.158 -4.194 -4.162 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.445 -2.752 -3.987 1.00 0.00 N ATOM 0 H GLN A 16 -13.752 -6.855 -6.881 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.734 -6.258 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.706 -6.751 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.639 -5.930 -3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.159 -4.294 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.576 -4.996 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.475 -2.537 -4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.995 -2.097 -3.431 1.00 0.00 H new ATOM 197 N ALA A 17 -13.399 -9.038 -4.325 1.00 0.00 N ATOM 198 CA ALA A 17 -13.305 -10.308 -3.616 1.00 0.00 C ATOM 199 C ALA A 17 -12.022 -11.046 -3.980 1.00 0.00 C ATOM 200 O ALA A 17 -11.337 -11.587 -3.111 1.00 0.00 O ATOM 201 CB ALA A 17 -14.519 -11.173 -3.919 1.00 0.00 C ATOM 0 H ALA A 17 -14.287 -8.887 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.281 -10.098 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.435 -12.118 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.424 -10.655 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.569 -11.367 -4.990 1.00 0.00 H new ATOM 207 N ASP A 18 -11.702 -11.066 -5.269 1.00 0.00 N ATOM 208 CA ASP A 18 -10.500 -11.738 -5.749 1.00 0.00 C ATOM 209 C ASP A 18 -9.255 -11.170 -5.076 1.00 0.00 C ATOM 210 O ASP A 18 -8.247 -11.861 -4.928 1.00 0.00 O ATOM 211 CB ASP A 18 -10.383 -11.599 -7.268 1.00 0.00 C ATOM 212 CG ASP A 18 -11.279 -12.572 -8.009 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.456 -12.712 -7.616 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.803 -13.191 -8.983 1.00 0.00 O ATOM 0 H ASP A 18 -12.259 -10.624 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.579 -12.795 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.640 -10.580 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.348 -11.764 -7.566 1.00 0.00 H new ATOM 219 N ALA A 19 -9.331 -9.907 -4.672 1.00 0.00 N ATOM 220 CA ALA A 19 -8.210 -9.246 -4.014 1.00 0.00 C ATOM 221 C ALA A 19 -8.055 -9.729 -2.576 1.00 0.00 C ATOM 222 O ALA A 19 -6.951 -10.049 -2.134 1.00 0.00 O ATOM 223 CB ALA A 19 -8.394 -7.736 -4.049 1.00 0.00 C ATOM 0 H ALA A 19 -10.157 -9.320 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.300 -9.503 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.550 -7.255 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.447 -7.400 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.317 -7.470 -3.533 1.00 0.00 H new ATOM 229 N ILE A 20 -9.167 -9.779 -1.850 1.00 0.00 N ATOM 230 CA ILE A 20 -9.154 -10.223 -0.462 1.00 0.00 C ATOM 231 C ILE A 20 -8.703 -11.676 -0.354 1.00 0.00 C ATOM 232 O ILE A 20 -7.808 -12.002 0.425 1.00 0.00 O ATOM 233 CB ILE A 20 -10.543 -10.079 0.188 1.00 0.00 C ATOM 234 CG1 ILE A 20 -10.977 -8.612 0.194 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.525 -10.637 1.604 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.812 -8.225 -1.007 1.00 0.00 C ATOM 0 H ILE A 20 -10.088 -9.517 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.446 -9.585 0.067 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.264 -10.650 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.547 -8.414 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.090 -7.979 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.513 -10.528 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.254 -11.692 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.795 -10.091 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.084 -7.172 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.238 -8.391 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.717 -8.833 -1.032 1.00 0.00 H new ATOM 248 N ARG A 21 -9.328 -12.544 -1.143 1.00 0.00 N ATOM 249 CA ARG A 21 -8.990 -13.962 -1.137 1.00 0.00 C ATOM 250 C ARG A 21 -7.482 -14.162 -1.252 1.00 0.00 C ATOM 251 O ARG A 21 -6.927 -15.107 -0.692 1.00 0.00 O ATOM 252 CB ARG A 21 -9.701 -14.682 -2.285 1.00 0.00 C ATOM 253 CG ARG A 21 -8.899 -14.708 -3.576 1.00 0.00 C ATOM 254 CD ARG A 21 -9.759 -15.132 -4.757 1.00 0.00 C ATOM 255 NE ARG A 21 -10.007 -16.571 -4.764 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.176 -17.457 -5.301 1.00 0.00 C ATOM 257 NH1 ARG A 21 -8.049 -17.054 -5.871 1.00 0.00 N ATOM 258 NH2 ARG A 21 -9.472 -18.750 -5.269 1.00 0.00 N ATOM 0 H ARG A 21 -10.071 -12.290 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.323 -14.386 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.918 -15.706 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.658 -14.195 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.480 -13.720 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.059 -15.395 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.710 -14.600 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.267 -14.844 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.865 -16.914 -4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.818 -16.061 -5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.413 -17.737 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.338 -19.064 -4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.833 -19.430 -5.682 1.00 0.00 H new ATOM 272 N ARG A 22 -6.826 -13.267 -1.983 1.00 0.00 N ATOM 273 CA ARG A 22 -5.382 -13.347 -2.174 1.00 0.00 C ATOM 274 C ARG A 22 -4.642 -12.862 -0.930 1.00 0.00 C ATOM 275 O ARG A 22 -3.744 -13.538 -0.428 1.00 0.00 O ATOM 276 CB ARG A 22 -4.960 -12.517 -3.387 1.00 0.00 C ATOM 277 CG ARG A 22 -5.022 -13.282 -4.699 1.00 0.00 C ATOM 278 CD ARG A 22 -3.828 -14.211 -4.859 1.00 0.00 C ATOM 279 NE ARG A 22 -3.775 -14.811 -6.189 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.440 -15.910 -6.527 1.00 0.00 C ATOM 281 NH1 ARG A 22 -5.204 -16.527 -5.636 1.00 0.00 N ATOM 282 NH2 ARG A 22 -4.341 -16.395 -7.758 1.00 0.00 N ATOM 0 H ARG A 22 -7.271 -12.478 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.121 -14.391 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.602 -11.639 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.943 -12.156 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.944 -13.862 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.051 -12.578 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.909 -13.655 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.879 -14.999 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.195 -14.361 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.282 -16.158 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.714 -17.371 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.754 -15.924 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.852 -17.239 -8.016 1.00 0.00 H new ATOM 296 N ILE A 23 -5.025 -11.688 -0.441 1.00 0.00 N ATOM 297 CA ILE A 23 -4.399 -11.114 0.744 1.00 0.00 C ATOM 298 C ILE A 23 -4.430 -12.093 1.912 1.00 0.00 C ATOM 299 O ILE A 23 -3.457 -12.220 2.655 1.00 0.00 O ATOM 300 CB ILE A 23 -5.089 -9.804 1.167 1.00 0.00 C ATOM 301 CG1 ILE A 23 -4.823 -8.705 0.136 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.609 -9.373 2.545 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.432 -7.370 0.505 1.00 0.00 C ATOM 0 H ILE A 23 -5.765 -11.116 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.363 -10.900 0.481 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.164 -9.977 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.746 -8.583 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.218 -9.021 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.106 -8.446 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.846 -10.150 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.531 -9.215 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.203 -6.639 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.513 -7.476 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.019 -7.032 1.455 1.00 0.00 H new ATOM 315 N ARG A 24 -5.555 -12.784 2.067 1.00 0.00 N ATOM 316 CA ARG A 24 -5.714 -13.753 3.145 1.00 0.00 C ATOM 317 C ARG A 24 -4.951 -15.038 2.837 1.00 0.00 C ATOM 318 O ARG A 24 -4.488 -15.728 3.744 1.00 0.00 O ATOM 319 CB ARG A 24 -7.195 -14.066 3.364 1.00 0.00 C ATOM 320 CG ARG A 24 -7.857 -14.741 2.174 1.00 0.00 C ATOM 321 CD ARG A 24 -9.371 -14.600 2.225 1.00 0.00 C ATOM 322 NE ARG A 24 -10.047 -15.745 1.620 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.191 -16.918 2.226 1.00 0.00 C ATOM 324 NH1 ARG A 24 -9.710 -17.100 3.448 1.00 0.00 N ATOM 325 NH2 ARG A 24 -10.819 -17.911 1.610 1.00 0.00 N ATOM 0 H ARG A 24 -6.369 -12.691 1.460 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.304 -13.317 4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.296 -14.709 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.724 -13.140 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.481 -14.303 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.589 -15.797 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.691 -14.496 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.668 -13.688 1.707 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.429 -15.638 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.228 -16.338 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.822 -18.002 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.192 -17.774 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.929 -18.812 2.076 1.00 0.00 H new ATOM 339 N ASN A 25 -4.826 -15.352 1.552 1.00 0.00 N ATOM 340 CA ASN A 25 -4.121 -16.555 1.125 1.00 0.00 C ATOM 341 C ASN A 25 -2.735 -16.211 0.588 1.00 0.00 C ATOM 342 O ASN A 25 -2.111 -17.012 -0.109 1.00 0.00 O ATOM 343 CB ASN A 25 -4.927 -17.291 0.052 1.00 0.00 C ATOM 344 CG ASN A 25 -6.136 -18.004 0.626 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.006 -18.878 1.483 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.321 -17.635 0.153 1.00 0.00 N ATOM 0 H ASN A 25 -5.203 -14.791 0.789 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.005 -17.205 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.254 -16.579 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.285 -18.016 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.170 -18.081 0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.382 -16.906 -0.557 1.00 0.00 H new ATOM 353 N SER A 26 -2.258 -15.015 0.918 1.00 0.00 N ATOM 354 CA SER A 26 -0.947 -14.563 0.467 1.00 0.00 C ATOM 355 C SER A 26 0.155 -15.106 1.371 1.00 0.00 C ATOM 356 O SER A 26 -0.075 -15.397 2.545 1.00 0.00 O ATOM 357 CB SER A 26 -0.893 -13.035 0.438 1.00 0.00 C ATOM 358 OG SER A 26 -0.880 -12.500 1.751 1.00 0.00 O ATOM 0 H SER A 26 -2.760 -14.341 1.496 1.00 0.00 H new ATOM 0 HA SER A 26 -0.786 -14.944 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.002 -12.710 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.754 -12.648 -0.107 1.00 0.00 H new ATOM 0 HG SER A 26 -1.801 -12.354 2.054 1.00 0.00 H new ATOM 364 N LYS A 27 1.355 -15.239 0.816 1.00 0.00 N ATOM 365 CA LYS A 27 2.496 -15.745 1.571 1.00 0.00 C ATOM 366 C LYS A 27 3.530 -14.647 1.794 1.00 0.00 C ATOM 367 O LYS A 27 4.584 -14.885 2.385 1.00 0.00 O ATOM 368 CB LYS A 27 3.137 -16.924 0.835 1.00 0.00 C ATOM 369 CG LYS A 27 2.133 -17.947 0.333 1.00 0.00 C ATOM 370 CD LYS A 27 2.671 -18.715 -0.862 1.00 0.00 C ATOM 371 CE LYS A 27 1.865 -19.979 -1.121 1.00 0.00 C ATOM 372 NZ LYS A 27 2.172 -20.570 -2.453 1.00 0.00 N ATOM 0 H LYS A 27 1.563 -15.003 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 27 2.137 -16.083 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.710 -16.545 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.843 -17.418 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.890 -18.644 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.207 -17.444 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.646 -18.078 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.715 -18.977 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.077 -20.711 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.801 -19.750 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.603 -21.429 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.946 -19.881 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.182 -20.813 -2.501 1.00 0.00 H new ATOM 386 N ASP A 28 3.223 -13.445 1.319 1.00 0.00 N ATOM 387 CA ASP A 28 4.126 -12.310 1.469 1.00 0.00 C ATOM 388 C ASP A 28 3.423 -11.005 1.107 1.00 0.00 C ATOM 389 O ASP A 28 2.257 -11.006 0.712 1.00 0.00 O ATOM 390 CB ASP A 28 5.364 -12.496 0.591 1.00 0.00 C ATOM 391 CG ASP A 28 6.406 -13.385 1.241 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.689 -13.188 2.442 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.939 -14.278 0.550 1.00 0.00 O ATOM 0 H ASP A 28 2.356 -13.231 0.827 1.00 0.00 H new ATOM 0 HA ASP A 28 4.435 -12.259 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.067 -12.928 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.804 -11.522 0.377 1.00 0.00 H new ATOM 398 N SER A 29 4.139 -9.894 1.247 1.00 0.00 N ATOM 399 CA SER A 29 3.582 -8.582 0.940 1.00 0.00 C ATOM 400 C SER A 29 3.486 -8.372 -0.568 1.00 0.00 C ATOM 401 O SER A 29 2.523 -7.788 -1.064 1.00 0.00 O ATOM 402 CB SER A 29 4.441 -7.481 1.567 1.00 0.00 C ATOM 403 OG SER A 29 4.790 -7.804 2.901 1.00 0.00 O ATOM 0 H SER A 29 5.106 -9.876 1.571 1.00 0.00 H new ATOM 0 HA SER A 29 2.577 -8.533 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.345 -7.340 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.897 -6.536 1.549 1.00 0.00 H new ATOM 0 HG SER A 29 5.340 -7.086 3.278 1.00 0.00 H new ATOM 409 N TRP A 30 4.492 -8.852 -1.290 1.00 0.00 N ATOM 410 CA TRP A 30 4.522 -8.717 -2.742 1.00 0.00 C ATOM 411 C TRP A 30 3.212 -9.194 -3.361 1.00 0.00 C ATOM 412 O TRP A 30 2.656 -8.538 -4.242 1.00 0.00 O ATOM 413 CB TRP A 30 5.694 -9.509 -3.325 1.00 0.00 C ATOM 414 CG TRP A 30 6.980 -9.297 -2.585 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.797 -10.262 -2.070 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.594 -8.041 -2.276 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.883 -9.682 -1.460 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.782 -8.321 -1.573 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.257 -6.709 -2.527 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.632 -7.315 -1.119 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.101 -5.712 -2.075 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.277 -6.019 -1.378 1.00 0.00 C ATOM 0 H TRP A 30 5.297 -9.338 -0.894 1.00 0.00 H new ATOM 0 HA TRP A 30 4.652 -7.661 -2.981 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.447 -10.571 -3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.832 -9.225 -4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.616 -11.325 -2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.641 -10.184 -0.998 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.353 -6.462 -3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.539 -7.550 -0.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.850 -4.679 -2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.916 -5.217 -1.038 1.00 0.00 H new ATOM 433 N ASP A 31 2.725 -10.338 -2.893 1.00 0.00 N ATOM 434 CA ASP A 31 1.479 -10.901 -3.400 1.00 0.00 C ATOM 435 C ASP A 31 0.298 -9.994 -3.070 1.00 0.00 C ATOM 436 O ASP A 31 -0.534 -9.705 -3.930 1.00 0.00 O ATOM 437 CB ASP A 31 1.248 -12.294 -2.812 1.00 0.00 C ATOM 438 CG ASP A 31 0.480 -13.200 -3.754 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.504 -12.728 -4.361 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.862 -14.383 -3.883 1.00 0.00 O ATOM 0 H ASP A 31 3.173 -10.893 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 31 1.560 -10.981 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.210 -12.750 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.701 -12.203 -1.874 1.00 0.00 H new ATOM 445 N MET A 32 0.232 -9.548 -1.820 1.00 0.00 N ATOM 446 CA MET A 32 -0.848 -8.673 -1.377 1.00 0.00 C ATOM 447 C MET A 32 -0.926 -7.423 -2.247 1.00 0.00 C ATOM 448 O MET A 32 -1.900 -7.219 -2.972 1.00 0.00 O ATOM 449 CB MET A 32 -0.644 -8.278 0.087 1.00 0.00 C ATOM 450 CG MET A 32 -1.147 -9.321 1.073 1.00 0.00 C ATOM 451 SD MET A 32 -0.638 -8.975 2.768 1.00 0.00 S ATOM 452 CE MET A 32 0.730 -10.118 2.950 1.00 0.00 C ATOM 0 H MET A 32 0.913 -9.778 -1.096 1.00 0.00 H new ATOM 0 HA MET A 32 -1.787 -9.219 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.418 -8.105 0.264 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.157 -7.335 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.235 -9.365 1.026 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.775 -10.303 0.779 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.552 -10.765 3.809 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.818 -10.726 2.050 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.653 -9.559 3.102 1.00 0.00 H new ATOM 462 N LEU A 33 0.105 -6.589 -2.170 1.00 0.00 N ATOM 463 CA LEU A 33 0.153 -5.358 -2.951 1.00 0.00 C ATOM 464 C LEU A 33 0.167 -5.661 -4.446 1.00 0.00 C ATOM 465 O LEU A 33 -0.379 -4.904 -5.248 1.00 0.00 O ATOM 466 CB LEU A 33 1.389 -4.539 -2.574 1.00 0.00 C ATOM 467 CG LEU A 33 1.574 -4.251 -1.084 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.897 -3.542 -0.837 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.415 -3.420 -0.553 1.00 0.00 C ATOM 0 H LEU A 33 0.919 -6.743 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.742 -4.779 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.273 -5.065 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.346 -3.588 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 33 1.589 -5.201 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.011 -3.345 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.717 -4.173 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.912 -2.599 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.564 -3.225 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.368 -2.474 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.518 -3.965 -0.694 1.00 0.00 H new ATOM 481 N GLY A 34 0.793 -6.775 -4.813 1.00 0.00 N ATOM 482 CA GLY A 34 0.864 -7.160 -6.210 1.00 0.00 C ATOM 483 C GLY A 34 2.049 -6.540 -6.923 1.00 0.00 C ATOM 484 O GLY A 34 1.942 -6.128 -8.078 1.00 0.00 O ATOM 0 H GLY A 34 1.252 -7.418 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.928 -8.246 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.056 -6.861 -6.713 1.00 0.00 H new ATOM 488 N VAL A 35 3.183 -6.472 -6.233 1.00 0.00 N ATOM 489 CA VAL A 35 4.394 -5.897 -6.807 1.00 0.00 C ATOM 490 C VAL A 35 5.574 -6.853 -6.670 1.00 0.00 C ATOM 491 O VAL A 35 5.450 -7.932 -6.091 1.00 0.00 O ATOM 492 CB VAL A 35 4.752 -4.558 -6.136 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.751 -3.481 -6.527 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.811 -4.718 -4.625 1.00 0.00 C ATOM 0 H VAL A 35 3.288 -6.808 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 35 4.192 -5.723 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 35 5.738 -4.249 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.020 -2.542 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.763 -3.349 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.752 -3.780 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.065 -3.762 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.841 -5.050 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.570 -5.457 -4.367 1.00 0.00 H new ATOM 504 N LYS A 36 6.721 -6.448 -7.206 1.00 0.00 N ATOM 505 CA LYS A 36 7.926 -7.267 -7.143 1.00 0.00 C ATOM 506 C LYS A 36 8.781 -6.884 -5.940 1.00 0.00 C ATOM 507 O LYS A 36 8.737 -5.755 -5.450 1.00 0.00 O ATOM 508 CB LYS A 36 8.739 -7.113 -8.430 1.00 0.00 C ATOM 509 CG LYS A 36 9.081 -5.671 -8.765 1.00 0.00 C ATOM 510 CD LYS A 36 8.047 -5.054 -9.691 1.00 0.00 C ATOM 511 CE LYS A 36 8.424 -5.241 -11.153 1.00 0.00 C ATOM 512 NZ LYS A 36 7.292 -4.917 -12.064 1.00 0.00 N ATOM 0 H LYS A 36 6.841 -5.558 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 36 7.623 -8.308 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.663 -7.684 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.178 -7.546 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.142 -5.088 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.063 -5.629 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.074 -5.508 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.950 -3.991 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.276 -4.605 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.739 -6.271 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.589 -5.057 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.487 -5.541 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.008 -3.926 -11.926 1.00 0.00 H new ATOM 526 N PRO A 37 9.581 -7.844 -5.451 1.00 0.00 N ATOM 527 CA PRO A 37 10.463 -7.629 -4.301 1.00 0.00 C ATOM 528 C PRO A 37 11.622 -6.693 -4.625 1.00 0.00 C ATOM 529 O PRO A 37 12.489 -6.449 -3.787 1.00 0.00 O ATOM 530 CB PRO A 37 10.982 -9.035 -3.985 1.00 0.00 C ATOM 531 CG PRO A 37 10.887 -9.772 -5.276 1.00 0.00 C ATOM 532 CD PRO A 37 9.685 -9.212 -5.985 1.00 0.00 C ATOM 0 HA PRO A 37 9.941 -7.155 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.009 -9.005 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.383 -9.514 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.790 -9.635 -5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.776 -10.843 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.820 -9.212 -7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.788 -9.794 -5.776 1.00 0.00 H new ATOM 540 N GLY A 38 11.631 -6.171 -5.848 1.00 0.00 N ATOM 541 CA GLY A 38 12.688 -5.268 -6.261 1.00 0.00 C ATOM 542 C GLY A 38 12.156 -3.926 -6.725 1.00 0.00 C ATOM 543 O GLY A 38 12.760 -3.272 -7.575 1.00 0.00 O ATOM 0 H GLY A 38 10.925 -6.358 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.376 -5.115 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.260 -5.727 -7.067 1.00 0.00 H new ATOM 547 N ALA A 39 11.022 -3.516 -6.167 1.00 0.00 N ATOM 548 CA ALA A 39 10.409 -2.244 -6.528 1.00 0.00 C ATOM 549 C ALA A 39 10.840 -1.136 -5.573 1.00 0.00 C ATOM 550 O ALA A 39 11.340 -1.405 -4.481 1.00 0.00 O ATOM 551 CB ALA A 39 8.893 -2.373 -6.540 1.00 0.00 C ATOM 0 H ALA A 39 10.509 -4.047 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 39 10.748 -1.977 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.448 -1.415 -6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.598 -3.129 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.545 -2.667 -5.550 1.00 0.00 H new ATOM 557 N SER A 40 10.643 0.110 -5.992 1.00 0.00 N ATOM 558 CA SER A 40 11.016 1.259 -5.175 1.00 0.00 C ATOM 559 C SER A 40 9.816 1.780 -4.391 1.00 0.00 C ATOM 560 O SER A 40 8.701 1.276 -4.533 1.00 0.00 O ATOM 561 CB SER A 40 11.588 2.372 -6.055 1.00 0.00 C ATOM 562 OG SER A 40 12.525 3.157 -5.338 1.00 0.00 O ATOM 0 H SER A 40 10.227 0.350 -6.892 1.00 0.00 H new ATOM 0 HA SER A 40 11.779 0.938 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.068 1.937 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.779 3.006 -6.417 1.00 0.00 H new ATOM 0 HG SER A 40 12.878 3.860 -5.922 1.00 0.00 H new ATOM 568 N ARG A 41 10.052 2.794 -3.565 1.00 0.00 N ATOM 569 CA ARG A 41 8.991 3.384 -2.757 1.00 0.00 C ATOM 570 C ARG A 41 7.826 3.834 -3.634 1.00 0.00 C ATOM 571 O ARG A 41 6.663 3.605 -3.303 1.00 0.00 O ATOM 572 CB ARG A 41 9.531 4.571 -1.958 1.00 0.00 C ATOM 573 CG ARG A 41 8.457 5.329 -1.193 1.00 0.00 C ATOM 574 CD ARG A 41 9.016 6.588 -0.548 1.00 0.00 C ATOM 575 NE ARG A 41 8.303 6.938 0.677 1.00 0.00 N ATOM 576 CZ ARG A 41 8.460 6.294 1.829 1.00 0.00 C ATOM 577 NH1 ARG A 41 9.301 5.273 1.911 1.00 0.00 N ATOM 578 NH2 ARG A 41 7.775 6.672 2.900 1.00 0.00 N ATOM 0 H ARG A 41 10.968 3.224 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 41 8.629 2.624 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.282 4.213 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.034 5.258 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.646 5.595 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.032 4.683 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.073 6.442 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.952 7.416 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 41 7.648 7.720 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.829 4.980 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.420 4.780 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.127 7.457 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.896 6.177 3.784 1.00 0.00 H new ATOM 592 N ASP A 42 8.148 4.475 -4.752 1.00 0.00 N ATOM 593 CA ASP A 42 7.129 4.958 -5.677 1.00 0.00 C ATOM 594 C ASP A 42 6.240 3.812 -6.151 1.00 0.00 C ATOM 595 O ASP A 42 5.027 3.971 -6.286 1.00 0.00 O ATOM 596 CB ASP A 42 7.783 5.643 -6.878 1.00 0.00 C ATOM 597 CG ASP A 42 8.975 6.492 -6.482 1.00 0.00 C ATOM 598 OD1 ASP A 42 9.031 6.925 -5.312 1.00 0.00 O ATOM 599 OD2 ASP A 42 9.850 6.724 -7.342 1.00 0.00 O ATOM 0 H ASP A 42 9.106 4.672 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 42 6.508 5.682 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.102 4.886 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.046 6.269 -7.381 1.00 0.00 H new ATOM 604 N GLU A 43 6.852 2.659 -6.403 1.00 0.00 N ATOM 605 CA GLU A 43 6.115 1.489 -6.864 1.00 0.00 C ATOM 606 C GLU A 43 5.199 0.955 -5.766 1.00 0.00 C ATOM 607 O GLU A 43 3.979 0.910 -5.927 1.00 0.00 O ATOM 608 CB GLU A 43 7.084 0.393 -7.312 1.00 0.00 C ATOM 609 CG GLU A 43 7.506 0.511 -8.767 1.00 0.00 C ATOM 610 CD GLU A 43 6.326 0.500 -9.719 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.841 -0.601 -10.052 1.00 0.00 O ATOM 612 OE2 GLU A 43 5.887 1.595 -10.131 1.00 0.00 O ATOM 0 H GLU A 43 7.855 2.511 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 43 5.500 1.790 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.972 0.425 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.617 -0.579 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.070 1.434 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.176 -0.312 -9.015 1.00 0.00 H new ATOM 619 N VAL A 44 5.797 0.552 -4.649 1.00 0.00 N ATOM 620 CA VAL A 44 5.036 0.022 -3.524 1.00 0.00 C ATOM 621 C VAL A 44 3.807 0.878 -3.239 1.00 0.00 C ATOM 622 O VAL A 44 2.731 0.359 -2.948 1.00 0.00 O ATOM 623 CB VAL A 44 5.899 -0.058 -2.251 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.050 -0.460 -1.054 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.051 -1.032 -2.449 1.00 0.00 C ATOM 0 H VAL A 44 6.805 0.583 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 44 4.718 -0.983 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 44 6.317 0.929 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.677 -0.511 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.263 0.279 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.601 -1.436 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.651 -1.076 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.655 -2.023 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.674 -0.696 -3.278 1.00 0.00 H new ATOM 635 N ASN A 45 3.977 2.194 -3.325 1.00 0.00 N ATOM 636 CA ASN A 45 2.881 3.123 -3.077 1.00 0.00 C ATOM 637 C ASN A 45 1.904 3.139 -4.249 1.00 0.00 C ATOM 638 O ASN A 45 0.688 3.129 -4.058 1.00 0.00 O ATOM 639 CB ASN A 45 3.426 4.532 -2.833 1.00 0.00 C ATOM 640 CG ASN A 45 3.930 4.720 -1.415 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.150 4.732 -0.463 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.242 4.868 -1.269 1.00 0.00 N ATOM 0 H ASN A 45 4.863 2.640 -3.564 1.00 0.00 H new ATOM 0 HA ASN A 45 2.347 2.787 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.237 4.731 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.643 5.262 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.640 4.998 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.851 4.851 -2.087 1.00 0.00 H new ATOM 649 N LYS A 46 2.445 3.164 -5.462 1.00 0.00 N ATOM 650 CA LYS A 46 1.624 3.180 -6.666 1.00 0.00 C ATOM 651 C LYS A 46 0.701 1.966 -6.711 1.00 0.00 C ATOM 652 O LYS A 46 -0.497 2.094 -6.963 1.00 0.00 O ATOM 653 CB LYS A 46 2.510 3.205 -7.913 1.00 0.00 C ATOM 654 CG LYS A 46 1.798 3.709 -9.156 1.00 0.00 C ATOM 655 CD LYS A 46 1.579 5.212 -9.104 1.00 0.00 C ATOM 656 CE LYS A 46 2.762 5.968 -9.688 1.00 0.00 C ATOM 657 NZ LYS A 46 2.906 7.323 -9.088 1.00 0.00 N ATOM 0 H LYS A 46 3.450 3.174 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 46 1.011 4.081 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.377 3.837 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.885 2.199 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.384 3.456 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.837 3.204 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.674 5.468 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.422 5.522 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.676 5.398 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.637 6.060 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.477 7.922 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.966 7.749 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.376 7.245 -8.163 1.00 0.00 H new ATOM 671 N ALA A 47 1.266 0.789 -6.463 1.00 0.00 N ATOM 672 CA ALA A 47 0.493 -0.447 -6.471 1.00 0.00 C ATOM 673 C ALA A 47 -0.440 -0.519 -5.267 1.00 0.00 C ATOM 674 O ALA A 47 -1.571 -0.994 -5.373 1.00 0.00 O ATOM 675 CB ALA A 47 1.423 -1.651 -6.494 1.00 0.00 C ATOM 0 H ALA A 47 2.257 0.665 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.119 -0.458 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.832 -2.567 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.044 -1.614 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.060 -1.636 -5.610 1.00 0.00 H new ATOM 681 N TYR A 48 0.041 -0.045 -4.123 1.00 0.00 N ATOM 682 CA TYR A 48 -0.749 -0.059 -2.898 1.00 0.00 C ATOM 683 C TYR A 48 -1.979 0.834 -3.033 1.00 0.00 C ATOM 684 O TYR A 48 -3.060 0.497 -2.550 1.00 0.00 O ATOM 685 CB TYR A 48 0.101 0.401 -1.712 1.00 0.00 C ATOM 686 CG TYR A 48 -0.700 1.057 -0.611 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.245 2.323 -0.781 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.913 0.409 0.600 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.977 2.926 0.223 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.645 1.004 1.610 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.174 2.263 1.417 1.00 0.00 C ATOM 692 OH TYR A 48 -2.904 2.860 2.419 1.00 0.00 O ATOM 0 H TYR A 48 0.974 0.354 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.082 -1.082 -2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.632 -0.458 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.856 1.102 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.094 2.845 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.499 -0.577 0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.393 3.911 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.802 0.486 2.545 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.950 2.260 3.193 1.00 0.00 H new ATOM 702 N ARG A 49 -1.805 1.974 -3.692 1.00 0.00 N ATOM 703 CA ARG A 49 -2.899 2.917 -3.891 1.00 0.00 C ATOM 704 C ARG A 49 -4.030 2.276 -4.690 1.00 0.00 C ATOM 705 O ARG A 49 -5.145 2.118 -4.191 1.00 0.00 O ATOM 706 CB ARG A 49 -2.397 4.169 -4.612 1.00 0.00 C ATOM 707 CG ARG A 49 -1.702 5.163 -3.696 1.00 0.00 C ATOM 708 CD ARG A 49 -1.170 6.358 -4.471 1.00 0.00 C ATOM 709 NE ARG A 49 0.191 6.136 -4.951 1.00 0.00 N ATOM 710 CZ ARG A 49 0.946 7.090 -5.485 1.00 0.00 C ATOM 711 NH1 ARG A 49 0.475 8.323 -5.606 1.00 0.00 N ATOM 712 NH2 ARG A 49 2.176 6.811 -5.899 1.00 0.00 N ATOM 0 H ARG A 49 -0.916 2.268 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.284 3.200 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.707 3.871 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.240 4.662 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.400 5.505 -2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.880 4.669 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.825 6.561 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.190 7.242 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 49 0.583 5.198 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.469 8.542 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.057 9.053 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.542 5.863 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.755 7.544 -6.309 1.00 0.00 H new ATOM 726 N LYS A 50 -3.736 1.909 -5.932 1.00 0.00 N ATOM 727 CA LYS A 50 -4.727 1.284 -6.801 1.00 0.00 C ATOM 728 C LYS A 50 -5.505 0.207 -6.052 1.00 0.00 C ATOM 729 O LYS A 50 -6.697 0.007 -6.292 1.00 0.00 O ATOM 730 CB LYS A 50 -4.047 0.677 -8.030 1.00 0.00 C ATOM 731 CG LYS A 50 -3.180 -0.528 -7.711 1.00 0.00 C ATOM 732 CD LYS A 50 -2.929 -1.377 -8.947 1.00 0.00 C ATOM 733 CE LYS A 50 -1.967 -2.518 -8.653 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.602 -3.267 -9.887 1.00 0.00 N ATOM 0 H LYS A 50 -2.819 2.033 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.427 2.054 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.811 0.384 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.433 1.440 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.228 -0.194 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.664 -1.133 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.874 -1.781 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.522 -0.752 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.064 -2.121 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.422 -3.200 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.945 -4.036 -9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.460 -3.667 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.145 -2.622 -10.562 1.00 0.00 H new ATOM 748 N LEU A 51 -4.825 -0.484 -5.144 1.00 0.00 N ATOM 749 CA LEU A 51 -5.453 -1.541 -4.358 1.00 0.00 C ATOM 750 C LEU A 51 -6.340 -0.953 -3.265 1.00 0.00 C ATOM 751 O LEU A 51 -7.523 -1.276 -3.171 1.00 0.00 O ATOM 752 CB LEU A 51 -4.386 -2.443 -3.736 1.00 0.00 C ATOM 753 CG LEU A 51 -4.801 -3.891 -3.474 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.311 -4.539 -4.752 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.636 -4.684 -2.900 1.00 0.00 C ATOM 0 H LEU A 51 -3.839 -0.332 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.077 -2.135 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.516 -2.449 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.070 -2.000 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.610 -3.891 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.602 -5.569 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.174 -3.985 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.523 -4.528 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.949 -5.712 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.807 -4.676 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.316 -4.232 -1.961 1.00 0.00 H new ATOM 767 N ALA A 52 -5.759 -0.086 -2.442 1.00 0.00 N ATOM 768 CA ALA A 52 -6.497 0.550 -1.358 1.00 0.00 C ATOM 769 C ALA A 52 -7.882 0.990 -1.821 1.00 0.00 C ATOM 770 O ALA A 52 -8.879 0.759 -1.136 1.00 0.00 O ATOM 771 CB ALA A 52 -5.718 1.739 -0.815 1.00 0.00 C ATOM 0 H ALA A 52 -4.780 0.192 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.624 -0.182 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.281 2.204 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.753 1.400 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.561 2.466 -1.612 1.00 0.00 H new ATOM 777 N VAL A 53 -7.937 1.625 -2.987 1.00 0.00 N ATOM 778 CA VAL A 53 -9.200 2.097 -3.542 1.00 0.00 C ATOM 779 C VAL A 53 -10.172 0.943 -3.754 1.00 0.00 C ATOM 780 O VAL A 53 -11.375 1.080 -3.526 1.00 0.00 O ATOM 781 CB VAL A 53 -8.986 2.827 -4.882 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.322 3.230 -5.489 1.00 0.00 C ATOM 783 CG2 VAL A 53 -8.090 4.041 -4.690 1.00 0.00 C ATOM 0 H VAL A 53 -7.121 1.825 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.622 2.796 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.491 2.145 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.152 3.744 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.926 2.339 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.847 3.895 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.950 4.544 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.555 4.728 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.123 3.722 -4.303 1.00 0.00 H new ATOM 793 N LEU A 54 -9.645 -0.196 -4.191 1.00 0.00 N ATOM 794 CA LEU A 54 -10.467 -1.376 -4.433 1.00 0.00 C ATOM 795 C LEU A 54 -10.967 -1.971 -3.120 1.00 0.00 C ATOM 796 O LEU A 54 -12.096 -2.454 -3.036 1.00 0.00 O ATOM 797 CB LEU A 54 -9.670 -2.426 -5.210 1.00 0.00 C ATOM 798 CG LEU A 54 -10.464 -3.630 -5.719 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.304 -3.244 -6.926 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.527 -4.779 -6.063 1.00 0.00 C ATOM 0 H LEU A 54 -8.652 -0.327 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.330 -1.071 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.201 -1.938 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.866 -2.790 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.136 -3.960 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.862 -4.113 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.001 -2.454 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.652 -2.888 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.109 -5.627 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.830 -4.461 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.970 -5.073 -5.173 1.00 0.00 H new ATOM 812 N LEU A 55 -10.120 -1.929 -2.098 1.00 0.00 N ATOM 813 CA LEU A 55 -10.476 -2.461 -0.787 1.00 0.00 C ATOM 814 C LEU A 55 -10.944 -1.347 0.144 1.00 0.00 C ATOM 815 O LEU A 55 -11.230 -1.585 1.318 1.00 0.00 O ATOM 816 CB LEU A 55 -9.282 -3.191 -0.169 1.00 0.00 C ATOM 817 CG LEU A 55 -8.487 -4.096 -1.112 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.117 -4.403 -0.527 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.253 -5.382 -1.387 1.00 0.00 C ATOM 0 H LEU A 55 -9.182 -1.532 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.296 -3.167 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.603 -2.447 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.642 -3.795 0.664 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.346 -3.572 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.565 -5.048 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.567 -3.473 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.236 -4.908 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.673 -6.014 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.424 -5.911 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.211 -5.143 -1.849 1.00 0.00 H new ATOM 831 N HIS A 56 -11.020 -0.132 -0.387 1.00 0.00 N ATOM 832 CA HIS A 56 -11.456 1.019 0.396 1.00 0.00 C ATOM 833 C HIS A 56 -12.785 0.733 1.089 1.00 0.00 C ATOM 834 O HIS A 56 -13.666 0.067 0.545 1.00 0.00 O ATOM 835 CB HIS A 56 -11.590 2.251 -0.500 1.00 0.00 C ATOM 836 CG HIS A 56 -11.234 3.533 0.188 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.140 4.550 0.402 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.061 3.960 0.712 1.00 0.00 C ATOM 839 CE1 HIS A 56 -11.541 5.547 1.027 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.278 5.215 1.227 1.00 0.00 N ATOM 0 H HIS A 56 -10.785 0.082 -1.356 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.703 1.214 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.949 2.127 -1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.615 2.316 -0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.128 3.415 0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.005 6.476 1.324 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.578 5.796 1.689 1.00 0.00 H new ATOM 848 N PRO A 57 -12.934 1.246 2.319 1.00 0.00 N ATOM 849 CA PRO A 57 -14.151 1.059 3.113 1.00 0.00 C ATOM 850 C PRO A 57 -15.339 1.826 2.543 1.00 0.00 C ATOM 851 O PRO A 57 -16.482 1.611 2.948 1.00 0.00 O ATOM 852 CB PRO A 57 -13.767 1.612 4.488 1.00 0.00 C ATOM 853 CG PRO A 57 -12.680 2.592 4.211 1.00 0.00 C ATOM 854 CD PRO A 57 -11.925 2.050 3.030 1.00 0.00 C ATOM 0 HA PRO A 57 -14.469 0.016 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.617 2.091 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.425 0.819 5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.090 3.578 3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.025 2.703 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.533 2.850 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.074 1.444 3.341 1.00 0.00 H new ATOM 862 N ASP A 58 -15.062 2.721 1.601 1.00 0.00 N ATOM 863 CA ASP A 58 -16.109 3.519 0.974 1.00 0.00 C ATOM 864 C ASP A 58 -16.357 3.060 -0.460 1.00 0.00 C ATOM 865 O ASP A 58 -17.317 3.486 -1.103 1.00 0.00 O ATOM 866 CB ASP A 58 -15.729 5.000 0.989 1.00 0.00 C ATOM 867 CG ASP A 58 -16.941 5.910 0.940 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.989 5.532 1.503 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.841 6.999 0.337 1.00 0.00 O ATOM 0 H ASP A 58 -14.122 2.912 1.255 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.027 3.381 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.153 5.215 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.083 5.215 0.138 1.00 0.00 H new ATOM 874 N LYS A 59 -15.484 2.190 -0.957 1.00 0.00 N ATOM 875 CA LYS A 59 -15.607 1.672 -2.314 1.00 0.00 C ATOM 876 C LYS A 59 -15.807 0.160 -2.304 1.00 0.00 C ATOM 877 O LYS A 59 -16.221 -0.428 -3.304 1.00 0.00 O ATOM 878 CB LYS A 59 -14.363 2.027 -3.132 1.00 0.00 C ATOM 879 CG LYS A 59 -14.018 3.506 -3.104 1.00 0.00 C ATOM 880 CD LYS A 59 -14.656 4.249 -4.265 1.00 0.00 C ATOM 881 CE LYS A 59 -14.145 5.679 -4.361 1.00 0.00 C ATOM 882 NZ LYS A 59 -14.680 6.533 -3.264 1.00 0.00 N ATOM 0 H LYS A 59 -14.683 1.829 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.481 2.133 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.515 1.457 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.518 1.718 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.355 3.941 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.936 3.629 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.444 3.723 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.739 4.256 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.056 5.679 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.430 6.103 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.309 7.499 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.719 6.554 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.386 6.143 -2.346 1.00 0.00 H new ATOM 896 N CYS A 60 -15.511 -0.463 -1.168 1.00 0.00 N ATOM 897 CA CYS A 60 -15.660 -1.908 -1.028 1.00 0.00 C ATOM 898 C CYS A 60 -16.495 -2.252 0.201 1.00 0.00 C ATOM 899 O CYS A 60 -16.004 -2.211 1.329 1.00 0.00 O ATOM 900 CB CYS A 60 -14.287 -2.575 -0.930 1.00 0.00 C ATOM 901 SG CYS A 60 -14.236 -4.259 -1.584 1.00 0.00 S ATOM 0 H CYS A 60 -15.167 0.009 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.176 -2.283 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.560 -1.966 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -13.978 -2.593 0.115 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.048 -4.508 -2.050 1.00 0.00 H new ATOM 907 N VAL A 61 -17.761 -2.589 -0.026 1.00 0.00 N ATOM 908 CA VAL A 61 -18.665 -2.940 1.063 1.00 0.00 C ATOM 909 C VAL A 61 -18.533 -4.412 1.434 1.00 0.00 C ATOM 910 O VAL A 61 -19.110 -4.868 2.421 1.00 0.00 O ATOM 911 CB VAL A 61 -20.130 -2.644 0.692 1.00 0.00 C ATOM 912 CG1 VAL A 61 -21.054 -3.698 1.284 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.528 -1.252 1.158 1.00 0.00 C ATOM 0 H VAL A 61 -18.183 -2.626 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.383 -2.327 1.919 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.225 -2.679 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -22.085 -3.472 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.782 -4.680 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.957 -3.698 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.566 -1.061 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.417 -1.185 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.886 -0.511 0.681 1.00 0.00 H new ATOM 923 N ALA A 62 -17.769 -5.152 0.637 1.00 0.00 N ATOM 924 CA ALA A 62 -17.559 -6.573 0.883 1.00 0.00 C ATOM 925 C ALA A 62 -17.099 -6.820 2.316 1.00 0.00 C ATOM 926 O ALA A 62 -16.570 -5.932 2.985 1.00 0.00 O ATOM 927 CB ALA A 62 -16.545 -7.135 -0.102 1.00 0.00 C ATOM 0 H ALA A 62 -17.285 -4.790 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.511 -7.085 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.398 -8.197 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.913 -7.001 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.597 -6.610 0.013 1.00 0.00 H new ATOM 933 N PRO A 63 -17.305 -8.053 2.800 1.00 0.00 N ATOM 934 CA PRO A 63 -16.919 -8.445 4.159 1.00 0.00 C ATOM 935 C PRO A 63 -15.406 -8.524 4.332 1.00 0.00 C ATOM 936 O PRO A 63 -14.846 -7.938 5.258 1.00 0.00 O ATOM 937 CB PRO A 63 -17.549 -9.831 4.321 1.00 0.00 C ATOM 938 CG PRO A 63 -17.670 -10.356 2.933 1.00 0.00 C ATOM 939 CD PRO A 63 -17.930 -9.161 2.059 1.00 0.00 C ATOM 0 HA PRO A 63 -17.252 -7.721 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.926 -10.480 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.523 -9.769 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.758 -10.870 2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.483 -11.078 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.488 -9.283 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.997 -8.995 1.913 1.00 0.00 H new ATOM 947 N GLY A 64 -14.749 -9.252 3.434 1.00 0.00 N ATOM 948 CA GLY A 64 -13.307 -9.393 3.505 1.00 0.00 C ATOM 949 C GLY A 64 -12.581 -8.098 3.196 1.00 0.00 C ATOM 950 O GLY A 64 -11.486 -7.856 3.703 1.00 0.00 O ATOM 0 H GLY A 64 -15.190 -9.747 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.027 -9.734 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.985 -10.162 2.803 1.00 0.00 H new ATOM 954 N SER A 65 -13.192 -7.265 2.360 1.00 0.00 N ATOM 955 CA SER A 65 -12.595 -5.990 1.980 1.00 0.00 C ATOM 956 C SER A 65 -11.909 -5.333 3.174 1.00 0.00 C ATOM 957 O SER A 65 -10.792 -4.829 3.061 1.00 0.00 O ATOM 958 CB SER A 65 -13.661 -5.052 1.411 1.00 0.00 C ATOM 959 OG SER A 65 -14.367 -4.394 2.448 1.00 0.00 O ATOM 0 H SER A 65 -14.100 -7.450 1.933 1.00 0.00 H new ATOM 0 HA SER A 65 -11.845 -6.184 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.191 -4.314 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.359 -5.620 0.795 1.00 0.00 H new ATOM 0 HG SER A 65 -15.076 -4.981 2.785 1.00 0.00 H new ATOM 965 N GLU A 66 -12.587 -5.344 4.317 1.00 0.00 N ATOM 966 CA GLU A 66 -12.043 -4.749 5.532 1.00 0.00 C ATOM 967 C GLU A 66 -10.696 -5.371 5.887 1.00 0.00 C ATOM 968 O GLU A 66 -9.658 -4.714 5.814 1.00 0.00 O ATOM 969 CB GLU A 66 -13.022 -4.926 6.695 1.00 0.00 C ATOM 970 CG GLU A 66 -12.734 -4.015 7.877 1.00 0.00 C ATOM 971 CD GLU A 66 -13.430 -4.468 9.146 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.638 -4.188 9.291 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.767 -5.103 9.993 1.00 0.00 O ATOM 0 H GLU A 66 -13.513 -5.758 4.427 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.895 -3.685 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.034 -4.736 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.991 -5.963 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.658 -3.979 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.052 -3.001 7.635 1.00 0.00 H new ATOM 980 N ASP A 67 -10.722 -6.642 6.273 1.00 0.00 N ATOM 981 CA ASP A 67 -9.503 -7.355 6.640 1.00 0.00 C ATOM 982 C ASP A 67 -8.431 -7.185 5.568 1.00 0.00 C ATOM 983 O ASP A 67 -7.240 -7.132 5.871 1.00 0.00 O ATOM 984 CB ASP A 67 -9.800 -8.841 6.851 1.00 0.00 C ATOM 985 CG ASP A 67 -10.523 -9.107 8.157 1.00 0.00 C ATOM 986 OD1 ASP A 67 -9.849 -9.167 9.206 1.00 0.00 O ATOM 987 OD2 ASP A 67 -11.763 -9.255 8.130 1.00 0.00 O ATOM 0 H ASP A 67 -11.573 -7.200 6.340 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.130 -6.931 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.405 -9.209 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.865 -9.401 6.836 1.00 0.00 H new ATOM 992 N ALA A 68 -8.863 -7.102 4.314 1.00 0.00 N ATOM 993 CA ALA A 68 -7.940 -6.937 3.198 1.00 0.00 C ATOM 994 C ALA A 68 -7.190 -5.613 3.297 1.00 0.00 C ATOM 995 O ALA A 68 -5.967 -5.570 3.161 1.00 0.00 O ATOM 996 CB ALA A 68 -8.690 -7.024 1.877 1.00 0.00 C ATOM 0 H ALA A 68 -9.846 -7.146 4.046 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.207 -7.743 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.989 -6.899 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.175 -7.997 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.444 -6.238 1.834 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.930 -4.535 3.532 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.334 -3.209 3.647 1.00 0.00 C ATOM 1004 C PHE A 69 -6.264 -3.186 4.735 1.00 0.00 C ATOM 1005 O PHE A 69 -5.195 -2.601 4.559 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.412 -2.167 3.954 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.908 -0.753 3.913 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.319 -0.247 2.766 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -8.022 0.070 5.022 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.854 1.055 2.725 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.560 1.372 4.987 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.974 1.864 3.837 1.00 0.00 C ATOM 0 H PHE A 69 -8.943 -4.553 3.647 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.864 -2.966 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.225 -2.275 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.829 -2.367 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.222 -0.876 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.477 -0.311 5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.398 1.438 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.657 2.004 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.610 2.880 3.808 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.560 -3.827 5.861 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.625 -3.882 6.979 1.00 0.00 C ATOM 1024 C LYS A 70 -4.308 -4.525 6.555 1.00 0.00 C ATOM 1025 O LYS A 70 -3.237 -3.951 6.747 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.236 -4.665 8.143 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.015 -3.798 9.116 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.497 -3.775 8.780 1.00 0.00 C ATOM 1029 CE LYS A 70 -9.232 -4.944 9.420 1.00 0.00 C ATOM 1030 NZ LYS A 70 -9.321 -4.799 10.899 1.00 0.00 N ATOM 0 H LYS A 70 -7.440 -4.316 6.023 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.423 -2.861 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.898 -5.434 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.440 -5.177 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.877 -4.173 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.621 -2.782 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.934 -2.837 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.627 -3.811 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.236 -5.015 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.718 -5.874 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.089 -5.399 11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.421 -5.090 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.515 -3.806 11.139 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.397 -5.718 5.977 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.212 -6.437 5.523 1.00 0.00 C ATOM 1046 C ALA A 71 -2.346 -5.558 4.627 1.00 0.00 C ATOM 1047 O ALA A 71 -1.150 -5.398 4.868 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.615 -7.707 4.789 1.00 0.00 C ATOM 0 H ALA A 71 -5.277 -6.207 5.812 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.623 -6.708 6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.721 -8.234 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.186 -8.349 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.227 -7.449 3.925 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.959 -4.990 3.593 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.243 -4.126 2.661 1.00 0.00 C ATOM 1056 C VAL A 72 -1.281 -3.201 3.397 1.00 0.00 C ATOM 1057 O VAL A 72 -0.077 -3.210 3.142 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.217 -3.275 1.824 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.456 -2.246 1.003 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.065 -4.164 0.927 1.00 0.00 C ATOM 0 H VAL A 72 -3.949 -5.112 3.380 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.677 -4.778 1.996 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.883 -2.742 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.160 -1.654 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.897 -1.590 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.765 -2.755 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.747 -3.546 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.417 -4.725 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.639 -4.858 1.541 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.820 -2.403 4.313 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.009 -1.472 5.089 1.00 0.00 C ATOM 1072 C VAL A 73 0.218 -2.165 5.670 1.00 0.00 C ATOM 1073 O VAL A 73 1.352 -1.763 5.410 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.821 -0.842 6.236 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.929 0.033 7.104 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.991 -0.043 5.684 1.00 0.00 C ATOM 0 H VAL A 73 -2.815 -2.382 4.536 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.689 -0.685 4.406 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.220 -1.643 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.520 0.470 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.128 -0.572 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.499 0.829 6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.554 0.395 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.617 0.751 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.642 -0.701 5.110 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.016 -3.209 6.459 1.00 0.00 N ATOM 1087 CA ASN A 74 1.071 -3.958 7.077 1.00 0.00 C ATOM 1088 C ASN A 74 2.109 -4.369 6.038 1.00 0.00 C ATOM 1089 O ASN A 74 3.306 -4.413 6.323 1.00 0.00 O ATOM 1090 CB ASN A 74 0.524 -5.199 7.786 1.00 0.00 C ATOM 1091 CG ASN A 74 0.049 -4.898 9.194 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.506 -3.944 9.825 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -0.873 -5.712 9.694 1.00 0.00 N ATOM 0 H ASN A 74 -0.949 -3.555 6.685 1.00 0.00 H new ATOM 0 HA ASN A 74 1.553 -3.311 7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.303 -5.610 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.299 -5.964 7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.231 -5.559 10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.223 -6.490 9.135 1.00 0.00 H new ATOM 1100 N ALA A 75 1.643 -4.669 4.830 1.00 0.00 N ATOM 1101 CA ALA A 75 2.530 -5.073 3.746 1.00 0.00 C ATOM 1102 C ALA A 75 3.325 -3.885 3.215 1.00 0.00 C ATOM 1103 O ALA A 75 4.555 -3.884 3.249 1.00 0.00 O ATOM 1104 CB ALA A 75 1.732 -5.721 2.625 1.00 0.00 C ATOM 0 H ALA A 75 0.655 -4.640 4.577 1.00 0.00 H new ATOM 0 HA ALA A 75 3.238 -5.802 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.407 -6.018 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.215 -6.601 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.001 -5.010 2.240 1.00 0.00 H new ATOM 1110 N ARG A 76 2.614 -2.875 2.724 1.00 0.00 N ATOM 1111 CA ARG A 76 3.253 -1.682 2.184 1.00 0.00 C ATOM 1112 C ARG A 76 4.180 -1.047 3.216 1.00 0.00 C ATOM 1113 O ARG A 76 5.400 -1.035 3.048 1.00 0.00 O ATOM 1114 CB ARG A 76 2.197 -0.668 1.739 1.00 0.00 C ATOM 1115 CG ARG A 76 2.773 0.689 1.369 1.00 0.00 C ATOM 1116 CD ARG A 76 1.781 1.808 1.641 1.00 0.00 C ATOM 1117 NE ARG A 76 2.410 3.124 1.582 1.00 0.00 N ATOM 1118 CZ ARG A 76 2.971 3.719 2.630 1.00 0.00 C ATOM 1119 NH1 ARG A 76 2.980 3.117 3.811 1.00 0.00 N ATOM 1120 NH2 ARG A 76 3.524 4.917 2.496 1.00 0.00 N ATOM 0 H ARG A 76 1.595 -2.860 2.689 1.00 0.00 H new ATOM 0 HA ARG A 76 3.848 -1.979 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.658 -1.070 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.470 -0.538 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.686 0.865 1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.048 0.693 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.972 1.760 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.333 1.664 2.624 1.00 0.00 H new ATOM 0 HE ARG A 76 2.420 3.614 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.556 2.195 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.411 3.575 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.519 5.382 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.954 5.373 3.301 1.00 0.00 H new ATOM 1134 N THR A 77 3.593 -0.519 4.286 1.00 0.00 N ATOM 1135 CA THR A 77 4.365 0.120 5.345 1.00 0.00 C ATOM 1136 C THR A 77 5.639 -0.661 5.643 1.00 0.00 C ATOM 1137 O THR A 77 6.728 -0.091 5.706 1.00 0.00 O ATOM 1138 CB THR A 77 3.541 0.250 6.640 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.343 0.992 6.386 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.350 0.939 7.728 1.00 0.00 C ATOM 0 H THR A 77 2.585 -0.521 4.442 1.00 0.00 H new ATOM 0 HA THR A 77 4.627 1.116 4.989 1.00 0.00 H new ATOM 0 HB THR A 77 3.281 -0.752 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.663 0.396 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.748 1.020 8.633 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.246 0.356 7.939 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.636 1.936 7.392 1.00 0.00 H new ATOM 1148 N ALA A 78 5.497 -1.970 5.825 1.00 0.00 N ATOM 1149 CA ALA A 78 6.638 -2.830 6.114 1.00 0.00 C ATOM 1150 C ALA A 78 7.634 -2.827 4.959 1.00 0.00 C ATOM 1151 O ALA A 78 8.790 -2.435 5.124 1.00 0.00 O ATOM 1152 CB ALA A 78 6.170 -4.248 6.406 1.00 0.00 C ATOM 0 H ALA A 78 4.603 -2.458 5.777 1.00 0.00 H new ATOM 0 HA ALA A 78 7.143 -2.437 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.033 -4.879 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.503 -4.241 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.639 -4.642 5.539 1.00 0.00 H new ATOM 1158 N LEU A 79 7.179 -3.265 3.791 1.00 0.00 N ATOM 1159 CA LEU A 79 8.031 -3.314 2.608 1.00 0.00 C ATOM 1160 C LEU A 79 8.880 -2.052 2.496 1.00 0.00 C ATOM 1161 O LEU A 79 10.100 -2.123 2.335 1.00 0.00 O ATOM 1162 CB LEU A 79 7.179 -3.482 1.348 1.00 0.00 C ATOM 1163 CG LEU A 79 6.531 -4.853 1.155 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.615 -4.844 -0.059 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.596 -5.931 1.014 1.00 0.00 C ATOM 0 H LEU A 79 6.225 -3.591 3.637 1.00 0.00 H new ATOM 0 HA LEU A 79 8.697 -4.171 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.391 -2.729 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.804 -3.272 0.480 1.00 0.00 H new ATOM 0 HG LEU A 79 5.930 -5.077 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.163 -5.828 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.832 -4.099 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.193 -4.598 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.117 -6.900 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.224 -5.712 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.212 -5.954 1.913 1.00 0.00 H new ATOM 1177 N LEU A 80 8.229 -0.897 2.585 1.00 0.00 N ATOM 1178 CA LEU A 80 8.925 0.382 2.496 1.00 0.00 C ATOM 1179 C LEU A 80 10.138 0.408 3.420 1.00 0.00 C ATOM 1180 O LEU A 80 11.220 0.849 3.031 1.00 0.00 O ATOM 1181 CB LEU A 80 7.975 1.527 2.852 1.00 0.00 C ATOM 1182 CG LEU A 80 6.720 1.651 1.987 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.767 2.682 2.573 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.091 2.018 0.557 1.00 0.00 C ATOM 0 H LEU A 80 7.221 -0.820 2.719 1.00 0.00 H new ATOM 0 HA LEU A 80 9.270 0.509 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.666 1.407 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.528 2.464 2.791 1.00 0.00 H new ATOM 0 HG LEU A 80 6.215 0.685 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.880 2.756 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.475 2.378 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.263 3.652 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.185 2.102 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.620 2.971 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.734 1.244 0.138 1.00 0.00 H new