USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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: B 49 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.592) USER MOD Set 1.2: B 53 SER OG : rot 87:sc= 1.27 USER MOD Set 2.1: A 49 LYS NZ :NH3+ 161:sc= 1.3 (180deg=0.722) USER MOD Set 2.2: A 53 SER OG : rot 87:sc= 1.36 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 41 TYR OH : rot -2:sc= 2.17 USER MOD Single : A 43 MET CE :methyl -131:sc= -0.44 (180deg=-0.803) USER MOD Single : A 44 GLN : amide:sc= 0.865 K(o=0.86,f=-0.0041) USER MOD Single : A 46 MET CE :methyl -156:sc= -1.15 (180deg=-2.5) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 136:sc= -2.66 (180deg=-3.73!) USER MOD Single : A 54 SER OG : rot -33:sc= 0.139 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.589 F(o=-3.1!,f=-0.59) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 64 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-1.2) USER MOD Single : A 74 SER OG : rot 116:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ -144:sc= 0.531 (180deg=0.0616) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.313 USER MOD Single : B 41 TYR OH : rot -13:sc= 2.23 USER MOD Single : B 43 MET CE :methyl -128:sc= -0.467 (180deg=-0.805) USER MOD Single : B 44 GLN : amide:sc= 0.855 K(o=0.85,f=-0.0032) USER MOD Single : B 46 MET CE :methyl -157:sc= -1.09 (180deg=-2.36) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 133:sc= -2.77 (180deg=-3.88!) USER MOD Single : B 54 SER OG : rot -34:sc= 0.0852 USER MOD Single : B 57 ASN :FLIP amide:sc= -0.581 F(o=-3.3!,f=-0.58) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 77:sc= 1.04 USER MOD Single : B 64 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-0.94) USER MOD Single : B 74 SER OG : rot 117:sc= 1.3 USER MOD Single : B 78 LYS NZ :NH3+ -145:sc= 0.508 (180deg=0.0532) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 13.039 -6.115 -4.343 1.00 0.97 N ATOM 131 CA THR A 38 14.443 -5.848 -4.602 1.00 0.83 C ATOM 132 C THR A 38 14.910 -4.681 -3.739 1.00 0.72 C ATOM 133 O THR A 38 14.074 -3.986 -3.157 1.00 0.65 O ATOM 134 CB THR A 38 14.680 -5.506 -6.087 1.00 0.79 C ATOM 135 OG1 THR A 38 13.781 -4.467 -6.491 1.00 0.85 O ATOM 136 CG2 THR A 38 14.484 -6.729 -6.970 1.00 0.95 C ATOM 0 HA THR A 38 15.010 -6.746 -4.358 1.00 0.83 H new ATOM 0 HB THR A 38 15.710 -5.166 -6.200 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.934 -4.250 -7.434 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.658 -6.458 -8.011 1.00 0.95 H new ATOM 0 HG22 THR A 38 15.188 -7.507 -6.676 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.465 -7.100 -6.857 1.00 0.95 H new ATOM 144 N PRO A 39 16.226 -4.448 -3.606 1.00 0.74 N ATOM 145 CA PRO A 39 16.726 -3.267 -2.900 1.00 0.70 C ATOM 146 C PRO A 39 16.146 -1.990 -3.492 1.00 0.62 C ATOM 147 O PRO A 39 15.700 -1.108 -2.766 1.00 0.56 O ATOM 148 CB PRO A 39 18.234 -3.324 -3.114 1.00 0.78 C ATOM 149 CG PRO A 39 18.524 -4.764 -3.369 1.00 0.87 C ATOM 150 CD PRO A 39 17.322 -5.306 -4.091 1.00 0.83 C ATOM 0 HA PRO A 39 16.448 -3.261 -1.846 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.538 -2.703 -3.957 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.773 -2.960 -2.239 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.426 -4.880 -3.970 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.693 -5.300 -2.435 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.438 -5.239 -5.173 1.00 0.83 H new ATOM 0 HD3 PRO A 39 17.148 -6.355 -3.853 1.00 0.83 H new ATOM 158 N ASP A 40 16.128 -1.924 -4.820 1.00 0.66 N ATOM 159 CA ASP A 40 15.545 -0.795 -5.545 1.00 0.64 C ATOM 160 C ASP A 40 14.105 -0.573 -5.105 1.00 0.58 C ATOM 161 O ASP A 40 13.680 0.554 -4.843 1.00 0.58 O ATOM 162 CB ASP A 40 15.572 -1.064 -7.052 1.00 0.72 C ATOM 163 CG ASP A 40 16.959 -1.381 -7.568 1.00 1.44 C ATOM 164 OD1 ASP A 40 17.463 -2.490 -7.281 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.543 -0.536 -8.280 1.00 2.15 O ATOM 0 H ASP A 40 16.516 -2.649 -5.424 1.00 0.66 H new ATOM 0 HA ASP A 40 16.134 0.095 -5.323 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.906 -1.896 -7.280 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.184 -0.192 -7.579 1.00 0.72 H new ATOM 170 N TYR A 41 13.370 -1.673 -5.015 1.00 0.57 N ATOM 171 CA TYR A 41 11.985 -1.670 -4.570 1.00 0.54 C ATOM 172 C TYR A 41 11.885 -1.084 -3.164 1.00 0.46 C ATOM 173 O TYR A 41 10.965 -0.326 -2.855 1.00 0.43 O ATOM 174 CB TYR A 41 11.486 -3.118 -4.572 1.00 0.61 C ATOM 175 CG TYR A 41 9.989 -3.308 -4.499 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.296 -3.173 -3.302 1.00 0.64 C ATOM 177 CD2 TYR A 41 9.275 -3.670 -5.634 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.933 -3.398 -3.241 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.915 -3.887 -5.580 1.00 0.88 C ATOM 180 CZ TYR A 41 7.252 -3.755 -4.382 1.00 0.73 C ATOM 181 OH TYR A 41 5.903 -3.993 -4.325 1.00 0.81 O ATOM 0 H TYR A 41 13.723 -2.601 -5.251 1.00 0.57 H new ATOM 0 HA TYR A 41 11.376 -1.058 -5.236 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.849 -3.604 -5.477 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.939 -3.638 -3.728 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.829 -2.888 -2.407 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.794 -3.783 -6.574 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.406 -3.294 -2.304 1.00 0.69 H new ATOM 0 HE2 TYR A 41 7.373 -4.159 -6.473 1.00 0.88 H new ATOM 0 HH TYR A 41 5.593 -3.898 -3.400 1.00 0.81 H new ATOM 191 N LEU A 42 12.864 -1.419 -2.332 1.00 0.44 N ATOM 192 CA LEU A 42 12.852 -1.033 -0.929 1.00 0.39 C ATOM 193 C LEU A 42 13.349 0.397 -0.728 1.00 0.37 C ATOM 194 O LEU A 42 12.881 1.097 0.166 1.00 0.34 O ATOM 195 CB LEU A 42 13.706 -2.007 -0.111 1.00 0.43 C ATOM 196 CG LEU A 42 13.823 -1.687 1.383 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.456 -1.683 2.045 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.742 -2.686 2.067 1.00 0.48 C ATOM 0 H LEU A 42 13.682 -1.962 -2.609 1.00 0.44 H new ATOM 0 HA LEU A 42 11.819 -1.074 -0.583 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.288 -3.008 -0.219 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.708 -2.032 -0.539 1.00 0.43 H new ATOM 0 HG LEU A 42 14.252 -0.690 1.486 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.566 -1.453 3.105 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.826 -0.929 1.574 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.994 -2.664 1.932 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.815 -2.446 3.128 1.00 0.48 H new ATOM 0 HD22 LEU A 42 14.338 -3.692 1.950 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.733 -2.638 1.615 1.00 0.48 H new ATOM 210 N MET A 43 14.266 0.848 -1.580 1.00 0.40 N ATOM 211 CA MET A 43 14.882 2.158 -1.393 1.00 0.40 C ATOM 212 C MET A 43 13.869 3.239 -1.714 1.00 0.37 C ATOM 213 O MET A 43 13.802 4.273 -1.049 1.00 0.36 O ATOM 214 CB MET A 43 16.119 2.332 -2.284 1.00 0.47 C ATOM 215 CG MET A 43 17.246 1.343 -2.018 1.00 0.63 C ATOM 216 SD MET A 43 17.802 1.325 -0.301 1.00 0.85 S ATOM 217 CE MET A 43 16.928 -0.107 0.334 1.00 0.55 C ATOM 0 H MET A 43 14.596 0.333 -2.397 1.00 0.40 H new ATOM 0 HA MET A 43 15.203 2.238 -0.354 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.814 2.240 -3.326 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.504 3.343 -2.152 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.913 0.343 -2.294 1.00 0.63 H new ATOM 0 HG3 MET A 43 18.091 1.586 -2.662 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.430 0.155 1.267 1.00 0.55 H new ATOM 0 HE2 MET A 43 16.185 -0.433 -0.395 1.00 0.55 H new ATOM 0 HE3 MET A 43 17.637 -0.915 0.515 1.00 0.55 H new ATOM 227 N GLN A 44 13.060 2.965 -2.726 1.00 0.36 N ATOM 228 CA GLN A 44 11.997 3.873 -3.123 1.00 0.35 C ATOM 229 C GLN A 44 10.945 3.947 -2.026 1.00 0.30 C ATOM 230 O GLN A 44 10.396 5.013 -1.743 1.00 0.30 O ATOM 231 CB GLN A 44 11.368 3.411 -4.437 1.00 0.42 C ATOM 232 CG GLN A 44 12.316 3.495 -5.621 1.00 0.52 C ATOM 233 CD GLN A 44 11.771 2.808 -6.857 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.072 3.415 -7.666 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.095 1.537 -7.011 1.00 0.75 N ATOM 0 H GLN A 44 13.121 2.117 -3.289 1.00 0.36 H new ATOM 0 HA GLN A 44 12.417 4.867 -3.275 1.00 0.35 H new ATOM 0 HB2 GLN A 44 11.027 2.382 -4.326 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.487 4.018 -4.643 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.513 4.542 -5.850 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.270 3.043 -5.350 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.678 1.071 -6.315 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.763 1.021 -7.826 1.00 0.75 H new ATOM 244 N LEU A 45 10.680 2.803 -1.405 1.00 0.27 N ATOM 245 CA LEU A 45 9.745 2.722 -0.293 1.00 0.25 C ATOM 246 C LEU A 45 10.211 3.534 0.903 1.00 0.23 C ATOM 247 O LEU A 45 9.396 4.124 1.614 1.00 0.23 O ATOM 248 CB LEU A 45 9.564 1.272 0.139 1.00 0.29 C ATOM 249 CG LEU A 45 8.476 0.502 -0.597 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.478 -0.953 -0.167 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.125 1.134 -0.317 1.00 0.31 C ATOM 0 H LEU A 45 11.106 1.911 -1.658 1.00 0.27 H new ATOM 0 HA LEU A 45 8.798 3.134 -0.643 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.511 0.749 0.003 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.340 1.254 1.206 1.00 0.29 H new ATOM 0 HG LEU A 45 8.672 0.543 -1.668 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.695 -1.491 -0.701 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.446 -1.399 -0.396 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.294 -1.016 0.906 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.348 0.581 -0.845 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.926 1.107 0.754 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.130 2.169 -0.659 1.00 0.31 H new ATOM 263 N MET A 46 11.521 3.571 1.118 1.00 0.26 N ATOM 264 CA MET A 46 12.071 4.261 2.273 1.00 0.28 C ATOM 265 C MET A 46 11.772 5.740 2.191 1.00 0.27 C ATOM 266 O MET A 46 11.616 6.408 3.214 1.00 0.41 O ATOM 267 CB MET A 46 13.580 4.072 2.386 1.00 0.33 C ATOM 268 CG MET A 46 14.023 2.635 2.566 1.00 0.39 C ATOM 269 SD MET A 46 15.762 2.514 3.030 1.00 0.49 S ATOM 270 CE MET A 46 16.496 3.666 1.869 1.00 0.49 C ATOM 0 H MET A 46 12.215 3.134 0.512 1.00 0.26 H new ATOM 0 HA MET A 46 11.600 3.828 3.156 1.00 0.28 H new ATOM 0 HB2 MET A 46 14.052 4.474 1.489 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.945 4.659 3.229 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.410 2.160 3.332 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.856 2.086 1.639 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.545 3.412 1.718 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.968 3.609 0.917 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.421 4.679 2.265 1.00 0.49 H new ATOM 280 N ASN A 47 11.670 6.256 0.974 1.00 0.24 N ATOM 281 CA ASN A 47 11.430 7.670 0.764 1.00 0.30 C ATOM 282 C ASN A 47 9.940 7.963 0.859 1.00 0.26 C ATOM 283 O ASN A 47 9.536 9.058 1.241 1.00 0.27 O ATOM 284 CB ASN A 47 11.958 8.073 -0.616 1.00 0.42 C ATOM 285 CG ASN A 47 11.781 9.547 -0.922 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.866 10.398 -0.036 1.00 1.61 O ATOM 287 ND2 ASN A 47 11.530 9.858 -2.183 1.00 1.42 N ATOM 0 H ASN A 47 11.751 5.711 0.116 1.00 0.24 H new ATOM 0 HA ASN A 47 11.949 8.245 1.531 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.017 7.821 -0.679 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.445 7.487 -1.378 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.399 10.833 -2.451 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.468 9.123 -2.887 1.00 1.42 H new ATOM 294 N ASP A 48 9.120 6.965 0.544 1.00 0.24 N ATOM 295 CA ASP A 48 7.672 7.134 0.551 1.00 0.24 C ATOM 296 C ASP A 48 7.159 7.250 1.977 1.00 0.25 C ATOM 297 O ASP A 48 6.428 8.183 2.309 1.00 0.30 O ATOM 298 CB ASP A 48 6.974 5.961 -0.145 1.00 0.25 C ATOM 299 CG ASP A 48 7.015 6.036 -1.660 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.297 7.123 -2.213 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.728 5.010 -2.315 1.00 0.74 O ATOM 0 H ASP A 48 9.434 6.031 0.281 1.00 0.24 H new ATOM 0 HA ASP A 48 7.444 8.050 0.006 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.441 5.030 0.176 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.934 5.925 0.180 1.00 0.25 H new ATOM 306 N LYS A 49 7.573 6.310 2.825 1.00 0.22 N ATOM 307 CA LYS A 49 7.155 6.301 4.223 1.00 0.27 C ATOM 308 C LYS A 49 7.749 7.504 4.959 1.00 0.32 C ATOM 309 O LYS A 49 7.208 7.971 5.960 1.00 0.44 O ATOM 310 CB LYS A 49 7.585 4.995 4.905 1.00 0.31 C ATOM 311 CG LYS A 49 6.550 4.451 5.883 1.00 0.59 C ATOM 312 CD LYS A 49 6.331 5.401 7.048 1.00 0.92 C ATOM 313 CE LYS A 49 5.019 5.136 7.763 1.00 1.45 C ATOM 314 NZ LYS A 49 4.758 6.147 8.826 1.00 2.10 N ATOM 0 H LYS A 49 8.197 5.546 2.567 1.00 0.22 H new ATOM 0 HA LYS A 49 6.068 6.368 4.260 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.782 4.243 4.141 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.522 5.163 5.436 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.606 4.288 5.362 1.00 0.59 H new ATOM 0 HG3 LYS A 49 6.878 3.482 6.259 1.00 0.59 H new ATOM 0 HD2 LYS A 49 7.155 5.303 7.755 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.344 6.429 6.684 1.00 0.92 H new ATOM 0 HE2 LYS A 49 4.202 5.147 7.041 1.00 1.45 H new ATOM 0 HE3 LYS A 49 5.040 4.140 8.205 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 3.747 6.142 9.069 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 5.318 5.915 9.671 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 5.027 7.091 8.481 1.00 2.10 H new ATOM 328 N LYS A 50 8.835 8.035 4.427 1.00 0.30 N ATOM 329 CA LYS A 50 9.504 9.162 5.051 1.00 0.37 C ATOM 330 C LYS A 50 8.806 10.454 4.652 1.00 0.39 C ATOM 331 O LYS A 50 8.437 11.267 5.500 1.00 0.43 O ATOM 332 CB LYS A 50 10.979 9.205 4.635 1.00 0.42 C ATOM 333 CG LYS A 50 11.786 10.301 5.319 1.00 1.14 C ATOM 334 CD LYS A 50 11.774 10.151 6.835 1.00 1.67 C ATOM 335 CE LYS A 50 12.375 8.824 7.276 1.00 2.35 C ATOM 336 NZ LYS A 50 12.343 8.657 8.750 1.00 3.05 N ATOM 0 H LYS A 50 9.272 7.705 3.566 1.00 0.30 H new ATOM 0 HA LYS A 50 9.456 9.049 6.134 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.436 8.240 4.856 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.037 9.346 3.556 1.00 0.42 H new ATOM 0 HG2 LYS A 50 12.815 10.273 4.959 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.379 11.275 5.047 1.00 1.14 H new ATOM 0 HD2 LYS A 50 12.333 10.971 7.286 1.00 1.67 H new ATOM 0 HD3 LYS A 50 10.749 10.225 7.200 1.00 1.67 H new ATOM 0 HE2 LYS A 50 11.828 8.006 6.807 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.406 8.760 6.927 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 12.762 7.740 9.005 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.886 9.422 9.198 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 11.358 8.692 9.082 1.00 3.05 H new ATOM 350 N LEU A 51 8.604 10.612 3.350 1.00 0.38 N ATOM 351 CA LEU A 51 7.971 11.797 2.799 1.00 0.44 C ATOM 352 C LEU A 51 6.540 11.943 3.308 1.00 0.42 C ATOM 353 O LEU A 51 6.111 13.047 3.643 1.00 0.47 O ATOM 354 CB LEU A 51 8.012 11.735 1.265 1.00 0.48 C ATOM 355 CG LEU A 51 7.424 12.940 0.521 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.167 13.160 -0.786 1.00 1.10 C ATOM 357 CD2 LEU A 51 5.945 12.728 0.239 1.00 1.22 C ATOM 0 H LEU A 51 8.875 9.922 2.650 1.00 0.38 H new ATOM 0 HA LEU A 51 8.521 12.678 3.130 1.00 0.44 H new ATOM 0 HB2 LEU A 51 9.050 11.615 0.955 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.478 10.841 0.944 1.00 0.48 H new ATOM 0 HG LEU A 51 7.537 13.821 1.153 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.742 14.018 -1.306 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.221 13.347 -0.579 1.00 1.10 H new ATOM 0 HD13 LEU A 51 8.073 12.273 -1.412 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.547 13.595 -0.289 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.816 11.837 -0.376 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.410 12.600 1.180 1.00 1.22 H new ATOM 369 N MET A 52 5.808 10.831 3.397 1.00 0.39 N ATOM 370 CA MET A 52 4.415 10.870 3.837 1.00 0.37 C ATOM 371 C MET A 52 4.316 11.400 5.267 1.00 0.41 C ATOM 372 O MET A 52 3.399 12.145 5.599 1.00 0.47 O ATOM 373 CB MET A 52 3.764 9.476 3.747 1.00 0.33 C ATOM 374 CG MET A 52 4.360 8.452 4.700 1.00 1.29 C ATOM 375 SD MET A 52 3.514 6.856 4.659 1.00 1.25 S ATOM 376 CE MET A 52 3.639 6.427 2.923 1.00 0.31 C ATOM 0 H MET A 52 6.155 9.899 3.172 1.00 0.39 H new ATOM 0 HA MET A 52 3.877 11.545 3.172 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.698 9.570 3.952 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.861 9.106 2.726 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.411 8.304 4.452 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.325 8.848 5.715 1.00 1.29 H new ATOM 0 HE1 MET A 52 3.920 5.378 2.827 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.677 6.591 2.437 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.396 7.050 2.448 1.00 0.31 H new ATOM 386 N SER A 53 5.292 11.045 6.094 1.00 0.40 N ATOM 387 CA SER A 53 5.282 11.419 7.498 1.00 0.47 C ATOM 388 C SER A 53 5.725 12.873 7.684 1.00 0.50 C ATOM 389 O SER A 53 5.647 13.427 8.781 1.00 0.62 O ATOM 390 CB SER A 53 6.202 10.478 8.277 1.00 0.52 C ATOM 391 OG SER A 53 5.869 9.116 8.028 1.00 1.15 O ATOM 0 H SER A 53 6.104 10.495 5.812 1.00 0.40 H new ATOM 0 HA SER A 53 4.264 11.332 7.878 1.00 0.47 H new ATOM 0 HB2 SER A 53 7.239 10.660 7.994 1.00 0.52 H new ATOM 0 HB3 SER A 53 6.122 10.686 9.344 1.00 0.52 H new ATOM 0 HG SER A 53 6.345 8.803 7.231 1.00 1.15 H new ATOM 397 N SER A 54 6.185 13.484 6.603 1.00 0.49 N ATOM 398 CA SER A 54 6.639 14.866 6.635 1.00 0.53 C ATOM 399 C SER A 54 5.611 15.781 5.965 1.00 0.53 C ATOM 400 O SER A 54 5.712 17.007 6.029 1.00 0.53 O ATOM 401 CB SER A 54 7.998 14.968 5.933 1.00 0.60 C ATOM 402 OG SER A 54 8.553 16.269 6.035 1.00 1.30 O ATOM 0 H SER A 54 6.254 13.041 5.687 1.00 0.49 H new ATOM 0 HA SER A 54 6.749 15.188 7.671 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.687 14.245 6.370 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.884 14.704 4.882 1.00 0.60 H new ATOM 0 HG SER A 54 7.832 16.933 6.033 1.00 1.30 H new ATOM 408 N LEU A 55 4.622 15.170 5.327 1.00 0.54 N ATOM 409 CA LEU A 55 3.593 15.916 4.612 1.00 0.57 C ATOM 410 C LEU A 55 2.636 16.628 5.564 1.00 0.65 C ATOM 411 O LEU A 55 2.314 16.110 6.636 1.00 0.65 O ATOM 412 CB LEU A 55 2.813 14.990 3.680 1.00 0.51 C ATOM 413 CG LEU A 55 3.577 14.537 2.434 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.713 13.628 1.580 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.047 15.737 1.623 1.00 0.64 C ATOM 0 H LEU A 55 4.510 14.157 5.289 1.00 0.54 H new ATOM 0 HA LEU A 55 4.099 16.679 4.021 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.507 14.107 4.241 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.902 15.499 3.365 1.00 0.51 H new ATOM 0 HG LEU A 55 4.454 13.977 2.758 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.273 13.316 0.699 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.427 12.749 2.158 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.817 14.165 1.269 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.588 15.391 0.742 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.184 16.326 1.312 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.706 16.354 2.234 1.00 0.64 H new ATOM 427 N PRO A 56 2.141 17.815 5.167 1.00 0.81 N ATOM 428 CA PRO A 56 1.263 18.629 5.970 1.00 0.94 C ATOM 429 C PRO A 56 -0.183 18.464 5.527 1.00 0.88 C ATOM 430 O PRO A 56 -0.774 19.364 4.930 1.00 1.19 O ATOM 431 CB PRO A 56 1.774 20.033 5.659 1.00 1.14 C ATOM 432 CG PRO A 56 2.301 19.951 4.252 1.00 1.26 C ATOM 433 CD PRO A 56 2.367 18.482 3.885 1.00 0.98 C ATOM 0 HA PRO A 56 1.270 18.380 7.031 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.976 20.771 5.739 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.556 20.332 6.357 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.649 20.491 3.565 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.287 20.410 4.183 1.00 1.26 H new ATOM 0 HD2 PRO A 56 1.607 18.214 3.151 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.333 18.216 3.456 1.00 0.98 H new ATOM 441 N ASN A 57 -0.732 17.313 5.883 1.00 0.63 N ATOM 442 CA ASN A 57 -2.062 16.882 5.423 1.00 0.62 C ATOM 443 C ASN A 57 -2.231 15.374 5.516 1.00 0.57 C ATOM 444 O ASN A 57 -3.323 14.854 5.274 1.00 0.59 O ATOM 445 CB ASN A 57 -2.368 17.315 3.970 1.00 0.68 C ATOM 446 CG ASN A 57 -1.572 16.572 2.901 1.00 1.32 C ATOM 447 OD1 ASN A 57 -0.328 16.223 3.193 1.00 2.22 O flip ATOM 448 ND2 ASN A 57 -2.074 16.335 1.803 1.00 1.73 N flip ATOM 0 H ASN A 57 -0.274 16.643 6.501 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.765 17.378 6.092 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -3.431 17.170 3.778 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.170 18.383 3.874 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -3.035 16.617 1.610 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -1.529 15.856 1.086 1.00 1.73 H new ATOM 455 N PHE A 58 -1.167 14.674 5.886 1.00 0.62 N ATOM 456 CA PHE A 58 -1.158 13.226 5.816 1.00 0.70 C ATOM 457 C PHE A 58 -2.101 12.629 6.850 1.00 0.90 C ATOM 458 O PHE A 58 -2.975 11.837 6.509 1.00 1.77 O ATOM 459 CB PHE A 58 0.262 12.703 6.014 1.00 0.69 C ATOM 460 CG PHE A 58 0.391 11.226 5.771 1.00 0.65 C ATOM 461 CD1 PHE A 58 0.181 10.711 4.504 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.728 10.358 6.796 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.300 9.358 4.260 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.849 9.002 6.559 1.00 1.15 C ATOM 465 CZ PHE A 58 0.634 8.502 5.288 1.00 0.69 C ATOM 0 H PHE A 58 -0.303 15.088 6.236 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.508 12.923 4.829 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.935 13.235 5.341 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.586 12.926 7.031 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.080 11.377 3.695 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.898 10.744 7.790 1.00 1.13 H new ATOM 0 HE1 PHE A 58 0.132 8.970 3.266 1.00 0.90 H new ATOM 0 HE2 PHE A 58 1.111 8.334 7.366 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.728 7.442 5.101 1.00 0.69 H new ATOM 475 N SER A 59 -1.914 13.001 8.112 1.00 0.91 N ATOM 476 CA SER A 59 -2.813 12.575 9.177 1.00 1.02 C ATOM 477 C SER A 59 -4.189 13.236 9.028 1.00 1.10 C ATOM 478 O SER A 59 -4.583 14.088 9.822 1.00 1.84 O ATOM 479 CB SER A 59 -2.203 12.897 10.544 1.00 1.21 C ATOM 480 OG SER A 59 -2.970 12.335 11.596 1.00 1.84 O ATOM 0 H SER A 59 -1.147 13.597 8.422 1.00 0.91 H new ATOM 0 HA SER A 59 -2.950 11.496 9.102 1.00 1.02 H new ATOM 0 HB2 SER A 59 -1.184 12.513 10.589 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.143 13.978 10.672 1.00 1.21 H new ATOM 0 HG SER A 59 -2.556 12.555 12.457 1.00 1.84 H new ATOM 486 N GLY A 60 -4.892 12.843 7.979 1.00 0.91 N ATOM 487 CA GLY A 60 -6.227 13.335 7.714 1.00 0.87 C ATOM 488 C GLY A 60 -6.799 12.690 6.472 1.00 0.66 C ATOM 489 O GLY A 60 -8.007 12.492 6.353 1.00 0.73 O ATOM 0 H GLY A 60 -4.550 12.174 7.289 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.872 13.127 8.568 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.203 14.418 7.589 1.00 0.87 H new ATOM 493 N ILE A 61 -5.910 12.354 5.552 1.00 0.50 N ATOM 494 CA ILE A 61 -6.266 11.622 4.349 1.00 0.54 C ATOM 495 C ILE A 61 -5.500 10.306 4.342 1.00 0.73 C ATOM 496 O ILE A 61 -4.636 10.105 5.194 1.00 1.81 O ATOM 497 CB ILE A 61 -5.926 12.433 3.078 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.440 12.797 3.065 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.789 13.686 3.004 1.00 0.79 C ATOM 500 CD1 ILE A 61 -4.040 13.699 1.919 1.00 0.78 C ATOM 0 H ILE A 61 -4.918 12.582 5.619 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.341 11.439 4.348 1.00 0.54 H new ATOM 0 HB ILE A 61 -6.137 11.820 2.202 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -4.188 13.287 4.005 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.852 11.881 3.016 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.539 14.247 2.104 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.841 13.402 2.974 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -6.606 14.306 3.881 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.973 13.912 1.979 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -4.259 13.204 0.973 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -4.600 14.632 1.978 1.00 0.78 H new ATOM 512 N PHE A 62 -5.826 9.412 3.415 1.00 0.58 N ATOM 513 CA PHE A 62 -5.108 8.142 3.274 1.00 0.50 C ATOM 514 C PHE A 62 -5.333 7.236 4.484 1.00 0.51 C ATOM 515 O PHE A 62 -4.606 7.307 5.477 1.00 0.76 O ATOM 516 CB PHE A 62 -3.605 8.372 3.089 1.00 0.50 C ATOM 517 CG PHE A 62 -3.248 9.218 1.905 1.00 0.48 C ATOM 518 CD1 PHE A 62 -3.805 8.976 0.663 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.338 10.252 2.036 1.00 0.63 C ATOM 520 CE1 PHE A 62 -3.465 9.747 -0.425 1.00 0.53 C ATOM 521 CE2 PHE A 62 -1.996 11.027 0.951 1.00 0.68 C ATOM 522 CZ PHE A 62 -2.561 10.773 -0.282 1.00 0.59 C ATOM 0 H PHE A 62 -6.585 9.540 2.746 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.506 7.651 2.386 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.209 8.843 3.989 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.111 7.405 2.991 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -4.516 8.172 0.545 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.892 10.453 2.999 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -3.908 9.546 -1.390 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.286 11.833 1.065 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.293 11.380 -1.134 1.00 0.59 H new ATOM 532 N THR A 63 -6.324 6.371 4.386 1.00 0.34 N ATOM 533 CA THR A 63 -6.669 5.485 5.482 1.00 0.38 C ATOM 534 C THR A 63 -5.728 4.278 5.541 1.00 0.30 C ATOM 535 O THR A 63 -5.146 3.986 6.582 1.00 0.38 O ATOM 536 CB THR A 63 -8.120 4.987 5.338 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.956 6.056 4.877 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.648 4.458 6.664 1.00 0.66 C ATOM 0 H THR A 63 -6.906 6.262 3.556 1.00 0.34 H new ATOM 0 HA THR A 63 -6.567 6.055 6.405 1.00 0.38 H new ATOM 0 HB THR A 63 -8.133 4.173 4.613 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.798 6.206 3.922 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.674 4.113 6.535 1.00 0.66 H new ATOM 0 HG22 THR A 63 -8.025 3.628 6.999 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.624 5.254 7.409 1.00 0.66 H new ATOM 546 N HIS A 64 -5.591 3.585 4.416 1.00 0.26 N ATOM 547 CA HIS A 64 -4.826 2.334 4.360 1.00 0.25 C ATOM 548 C HIS A 64 -3.371 2.535 3.932 1.00 0.25 C ATOM 549 O HIS A 64 -2.535 1.660 4.150 1.00 0.54 O ATOM 550 CB HIS A 64 -5.498 1.342 3.411 1.00 0.33 C ATOM 551 CG HIS A 64 -6.766 0.756 3.949 1.00 0.43 C ATOM 552 ND1 HIS A 64 -6.878 -0.559 4.339 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.981 1.312 4.154 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.107 -0.785 4.761 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.800 0.333 4.662 1.00 0.68 N ATOM 0 H HIS A 64 -6.000 3.866 3.525 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.814 1.939 5.376 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.712 1.844 2.468 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -4.800 0.534 3.191 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.129 -1.250 4.307 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.257 2.337 3.955 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.483 -1.729 5.127 1.00 0.83 H new ATOM 564 N LEU A 65 -3.077 3.682 3.331 1.00 0.32 N ATOM 565 CA LEU A 65 -1.802 3.888 2.634 1.00 0.22 C ATOM 566 C LEU A 65 -0.583 3.739 3.548 1.00 0.20 C ATOM 567 O LEU A 65 0.382 3.063 3.185 1.00 0.24 O ATOM 568 CB LEU A 65 -1.772 5.259 1.948 1.00 0.29 C ATOM 569 CG LEU A 65 -2.636 5.405 0.683 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.265 4.356 -0.349 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.118 5.316 1.010 1.00 0.99 C ATOM 0 H LEU A 65 -3.702 4.488 3.309 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.738 3.100 1.884 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.092 6.010 2.670 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.739 5.488 1.686 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.439 6.392 0.266 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.889 4.480 -1.234 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.217 4.472 -0.625 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.422 3.362 0.070 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.700 5.423 0.094 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.333 4.349 1.465 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.386 6.112 1.705 1.00 0.99 H new ATOM 583 N GLU A 66 -0.623 4.352 4.727 1.00 0.30 N ATOM 584 CA GLU A 66 0.532 4.332 5.621 1.00 0.40 C ATOM 585 C GLU A 66 0.856 2.909 6.054 1.00 0.38 C ATOM 586 O GLU A 66 2.017 2.489 6.048 1.00 0.38 O ATOM 587 CB GLU A 66 0.302 5.197 6.863 1.00 0.53 C ATOM 588 CG GLU A 66 1.461 5.123 7.844 1.00 0.88 C ATOM 589 CD GLU A 66 1.226 5.888 9.124 1.00 1.12 C ATOM 590 OE1 GLU A 66 2.097 6.704 9.491 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.192 5.661 9.787 1.00 1.75 O ATOM 0 H GLU A 66 -1.431 4.863 5.083 1.00 0.30 H new ATOM 0 HA GLU A 66 1.373 4.743 5.062 1.00 0.40 H new ATOM 0 HB2 GLU A 66 0.153 6.233 6.558 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.613 4.877 7.361 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.653 4.078 8.086 1.00 0.88 H new ATOM 0 HG3 GLU A 66 2.359 5.509 7.361 1.00 0.88 H new ATOM 598 N ARG A 67 -0.177 2.165 6.415 1.00 0.42 N ATOM 599 CA ARG A 67 0.001 0.822 6.928 1.00 0.44 C ATOM 600 C ARG A 67 0.486 -0.108 5.825 1.00 0.39 C ATOM 601 O ARG A 67 1.251 -1.036 6.077 1.00 0.40 O ATOM 602 CB ARG A 67 -1.303 0.291 7.513 1.00 0.54 C ATOM 603 CG ARG A 67 -1.095 -0.871 8.465 1.00 0.74 C ATOM 604 CD ARG A 67 -2.294 -1.791 8.484 1.00 0.86 C ATOM 605 NE ARG A 67 -2.288 -2.639 7.304 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.356 -3.165 6.733 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.570 -2.947 7.227 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.198 -3.910 5.652 1.00 2.07 N ATOM 0 H ARG A 67 -1.148 2.472 6.361 1.00 0.42 H new ATOM 0 HA ARG A 67 0.751 0.859 7.718 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.814 1.098 8.039 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -1.957 -0.025 6.701 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.209 -1.432 8.168 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.910 -0.491 9.470 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.277 -2.406 9.384 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.212 -1.205 8.516 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.383 -2.845 6.881 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.686 -2.367 8.058 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.386 -3.360 6.775 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.264 -4.069 5.274 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.010 -4.326 5.196 1.00 2.07 H new ATOM 622 N LEU A 68 0.062 0.165 4.594 1.00 0.35 N ATOM 623 CA LEU A 68 0.454 -0.651 3.451 1.00 0.34 C ATOM 624 C LEU A 68 1.959 -0.580 3.193 1.00 0.31 C ATOM 625 O LEU A 68 2.517 -1.442 2.516 1.00 0.40 O ATOM 626 CB LEU A 68 -0.335 -0.252 2.201 1.00 0.33 C ATOM 627 CG LEU A 68 -1.710 -0.914 2.076 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.460 -0.383 0.862 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.555 -2.427 1.983 1.00 0.61 C ATOM 0 H LEU A 68 -0.553 0.945 4.364 1.00 0.35 H new ATOM 0 HA LEU A 68 0.215 -1.687 3.692 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.466 0.830 2.200 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.255 -0.502 1.320 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.291 -0.671 2.966 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.434 -0.868 0.795 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.597 0.694 0.962 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.887 -0.594 -0.041 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.538 -2.889 1.894 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -0.956 -2.678 1.108 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.060 -2.798 2.880 1.00 0.61 H new ATOM 641 N LEU A 69 2.622 0.422 3.758 1.00 0.27 N ATOM 642 CA LEU A 69 4.078 0.478 3.684 1.00 0.24 C ATOM 643 C LEU A 69 4.671 -0.343 4.827 1.00 0.25 C ATOM 644 O LEU A 69 5.740 -0.951 4.706 1.00 0.26 O ATOM 645 CB LEU A 69 4.620 1.917 3.748 1.00 0.25 C ATOM 646 CG LEU A 69 4.602 2.715 2.433 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.912 3.448 2.242 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.327 1.814 1.243 1.00 0.30 C ATOM 0 H LEU A 69 2.186 1.193 4.263 1.00 0.27 H new ATOM 0 HA LEU A 69 4.374 0.066 2.719 1.00 0.24 H new ATOM 0 HB2 LEU A 69 4.041 2.467 4.489 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.647 1.879 4.110 1.00 0.25 H new ATOM 0 HG LEU A 69 3.794 3.444 2.497 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.883 4.008 1.307 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.068 4.137 3.072 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.730 2.728 2.209 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.321 2.409 0.330 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.105 1.053 1.175 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.358 1.332 1.368 1.00 0.30 H new ATOM 660 N ASP A 70 3.941 -0.409 5.926 1.00 0.29 N ATOM 661 CA ASP A 70 4.429 -1.109 7.098 1.00 0.35 C ATOM 662 C ASP A 70 4.430 -2.604 6.830 1.00 0.38 C ATOM 663 O ASP A 70 5.295 -3.324 7.317 1.00 0.43 O ATOM 664 CB ASP A 70 3.602 -0.773 8.338 1.00 0.43 C ATOM 665 CG ASP A 70 4.121 -1.470 9.583 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.631 -2.572 9.903 1.00 1.62 O ATOM 667 OD2 ASP A 70 5.024 -0.918 10.248 1.00 1.56 O ATOM 0 H ASP A 70 3.017 0.010 6.031 1.00 0.29 H new ATOM 0 HA ASP A 70 5.449 -0.782 7.299 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.612 0.305 8.497 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.564 -1.061 8.169 1.00 0.43 H new ATOM 672 N GLU A 71 3.467 -3.076 6.043 1.00 0.42 N ATOM 673 CA GLU A 71 3.535 -4.437 5.537 1.00 0.50 C ATOM 674 C GLU A 71 4.608 -4.544 4.476 1.00 0.45 C ATOM 675 O GLU A 71 5.499 -5.369 4.591 1.00 0.48 O ATOM 676 CB GLU A 71 2.220 -4.915 4.926 1.00 0.61 C ATOM 677 CG GLU A 71 1.158 -5.313 5.932 1.00 0.94 C ATOM 678 CD GLU A 71 0.464 -4.127 6.547 1.00 1.47 C ATOM 679 OE1 GLU A 71 0.716 -3.833 7.732 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.343 -3.492 5.843 1.00 2.18 O ATOM 0 H GLU A 71 2.647 -2.546 5.748 1.00 0.42 H new ATOM 0 HA GLU A 71 3.762 -5.067 6.397 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.821 -4.123 4.292 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.425 -5.768 4.279 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.419 -5.947 5.442 1.00 0.94 H new ATOM 0 HG3 GLU A 71 1.616 -5.909 6.721 1.00 0.94 H new ATOM 687 N GLU A 72 4.540 -3.676 3.467 1.00 0.43 N ATOM 688 CA GLU A 72 5.382 -3.809 2.278 1.00 0.45 C ATOM 689 C GLU A 72 6.858 -3.659 2.632 1.00 0.42 C ATOM 690 O GLU A 72 7.668 -4.529 2.340 1.00 0.47 O ATOM 691 CB GLU A 72 4.997 -2.763 1.232 1.00 0.46 C ATOM 692 CG GLU A 72 5.720 -2.936 -0.091 1.00 0.57 C ATOM 693 CD GLU A 72 5.207 -4.111 -0.896 1.00 0.91 C ATOM 694 OE1 GLU A 72 5.429 -5.271 -0.489 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.589 -3.878 -1.953 1.00 1.33 O ATOM 0 H GLU A 72 3.911 -2.873 3.449 1.00 0.43 H new ATOM 0 HA GLU A 72 5.222 -4.806 1.867 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.922 -2.812 1.059 1.00 0.46 H new ATOM 0 HB3 GLU A 72 5.211 -1.770 1.627 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.612 -2.025 -0.679 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.785 -3.069 0.098 1.00 0.57 H new ATOM 702 N ILE A 73 7.179 -2.570 3.309 1.00 0.35 N ATOM 703 CA ILE A 73 8.553 -2.259 3.676 1.00 0.34 C ATOM 704 C ILE A 73 9.122 -3.356 4.555 1.00 0.40 C ATOM 705 O ILE A 73 10.243 -3.821 4.347 1.00 0.45 O ATOM 706 CB ILE A 73 8.642 -0.901 4.409 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.438 0.237 3.414 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.968 -0.745 5.141 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.485 1.610 4.040 1.00 0.27 C ATOM 0 H ILE A 73 6.498 -1.877 3.620 1.00 0.35 H new ATOM 0 HA ILE A 73 9.138 -2.192 2.759 1.00 0.34 H new ATOM 0 HB ILE A 73 7.852 -0.866 5.159 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.205 0.174 2.642 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.476 0.106 2.919 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.994 0.221 5.644 1.00 0.33 H new ATOM 0 HG22 ILE A 73 10.072 -1.541 5.878 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.788 -0.804 4.425 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.332 2.366 3.270 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.701 1.694 4.792 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.456 1.762 4.510 1.00 0.27 H new ATOM 721 N SER A 74 8.330 -3.794 5.516 1.00 0.41 N ATOM 722 CA SER A 74 8.785 -4.834 6.437 1.00 0.49 C ATOM 723 C SER A 74 8.914 -6.196 5.738 1.00 0.54 C ATOM 724 O SER A 74 9.877 -6.933 5.973 1.00 0.60 O ATOM 725 CB SER A 74 7.839 -4.940 7.629 1.00 0.52 C ATOM 726 OG SER A 74 7.701 -3.686 8.274 1.00 1.34 O ATOM 0 H SER A 74 7.382 -3.456 5.683 1.00 0.41 H new ATOM 0 HA SER A 74 9.775 -4.548 6.792 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.863 -5.291 7.294 1.00 0.52 H new ATOM 0 HB3 SER A 74 8.218 -5.678 8.336 1.00 0.52 H new ATOM 0 HG SER A 74 6.773 -3.379 8.198 1.00 1.34 H new ATOM 732 N ARG A 75 7.969 -6.506 4.854 1.00 0.55 N ATOM 733 CA ARG A 75 7.941 -7.816 4.209 1.00 0.63 C ATOM 734 C ARG A 75 9.027 -7.908 3.145 1.00 0.65 C ATOM 735 O ARG A 75 9.688 -8.935 3.022 1.00 0.72 O ATOM 736 CB ARG A 75 6.562 -8.143 3.607 1.00 0.74 C ATOM 737 CG ARG A 75 6.120 -7.216 2.486 1.00 0.76 C ATOM 738 CD ARG A 75 4.870 -7.725 1.798 1.00 1.25 C ATOM 739 NE ARG A 75 3.694 -7.630 2.659 1.00 1.84 N ATOM 740 CZ ARG A 75 2.520 -8.191 2.373 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.389 -8.930 1.278 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.481 -8.022 3.185 1.00 3.67 N ATOM 0 H ARG A 75 7.219 -5.875 4.570 1.00 0.55 H new ATOM 0 HA ARG A 75 8.136 -8.560 4.981 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.579 -9.165 3.229 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.817 -8.110 4.402 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.934 -6.221 2.889 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.923 -7.119 1.756 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.699 -7.152 0.887 1.00 1.25 H new ATOM 0 HD3 ARG A 75 5.018 -8.763 1.499 1.00 1.25 H new ATOM 0 HE ARG A 75 3.776 -7.104 3.529 1.00 1.84 H new ATOM 0 HH11 ARG A 75 3.187 -9.068 0.657 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.491 -9.360 1.058 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.581 -7.461 4.031 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.584 -8.453 2.962 1.00 3.67 H new ATOM 756 N VAL A 76 9.230 -6.816 2.409 1.00 0.62 N ATOM 757 CA VAL A 76 10.270 -6.743 1.385 1.00 0.67 C ATOM 758 C VAL A 76 11.652 -7.010 1.985 1.00 0.71 C ATOM 759 O VAL A 76 12.541 -7.526 1.314 1.00 0.84 O ATOM 760 CB VAL A 76 10.254 -5.360 0.677 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.509 -5.129 -0.150 1.00 0.64 C ATOM 762 CG2 VAL A 76 9.027 -5.231 -0.210 1.00 0.58 C ATOM 0 H VAL A 76 8.681 -5.962 2.505 1.00 0.62 H new ATOM 0 HA VAL A 76 10.060 -7.516 0.645 1.00 0.67 H new ATOM 0 HB VAL A 76 10.221 -4.601 1.458 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.455 -4.150 -0.627 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.384 -5.169 0.498 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.588 -5.902 -0.915 1.00 0.64 H new ATOM 0 HG21 VAL A 76 9.032 -4.256 -0.698 1.00 0.58 H new ATOM 0 HG22 VAL A 76 9.041 -6.016 -0.966 1.00 0.58 H new ATOM 0 HG23 VAL A 76 8.127 -5.328 0.397 1.00 0.58 H new ATOM 772 N ARG A 77 11.807 -6.712 3.271 1.00 0.65 N ATOM 773 CA ARG A 77 13.101 -6.846 3.926 1.00 0.73 C ATOM 774 C ARG A 77 13.439 -8.310 4.208 1.00 0.86 C ATOM 775 O ARG A 77 14.610 -8.685 4.220 1.00 0.98 O ATOM 776 CB ARG A 77 13.159 -6.010 5.207 1.00 0.75 C ATOM 777 CG ARG A 77 13.265 -4.516 4.934 1.00 0.81 C ATOM 778 CD ARG A 77 13.496 -3.709 6.204 1.00 0.84 C ATOM 779 NE ARG A 77 12.340 -3.725 7.097 1.00 1.39 N ATOM 780 CZ ARG A 77 11.880 -2.648 7.739 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.473 -1.471 7.582 1.00 1.45 N ATOM 782 NH2 ARG A 77 10.827 -2.749 8.540 1.00 2.73 N ATOM 0 H ARG A 77 11.057 -6.378 3.876 1.00 0.65 H new ATOM 0 HA ARG A 77 13.856 -6.463 3.240 1.00 0.73 H new ATOM 0 HB2 ARG A 77 12.266 -6.203 5.802 1.00 0.75 H new ATOM 0 HB3 ARG A 77 14.014 -6.327 5.804 1.00 0.75 H new ATOM 0 HG2 ARG A 77 14.083 -4.334 4.237 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.351 -4.172 4.449 1.00 0.81 H new ATOM 0 HD2 ARG A 77 14.363 -4.108 6.731 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.731 -2.678 5.938 1.00 0.84 H new ATOM 0 HE ARG A 77 11.855 -4.611 7.239 1.00 1.39 H new ATOM 0 HH11 ARG A 77 13.284 -1.386 6.969 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.118 -0.651 8.074 1.00 1.45 H new ATOM 0 HH21 ARG A 77 10.367 -3.651 8.666 1.00 2.73 H new ATOM 0 HH22 ARG A 77 10.478 -1.925 9.029 1.00 2.73 H new ATOM 796 N LYS A 78 12.426 -9.145 4.424 1.00 0.90 N ATOM 797 CA LYS A 78 12.658 -10.579 4.580 1.00 1.08 C ATOM 798 C LYS A 78 12.593 -11.258 3.228 1.00 1.11 C ATOM 799 O LYS A 78 13.407 -12.126 2.905 1.00 1.32 O ATOM 800 CB LYS A 78 11.615 -11.222 5.488 1.00 1.13 C ATOM 801 CG LYS A 78 11.700 -10.800 6.937 1.00 1.35 C ATOM 802 CD LYS A 78 10.948 -9.513 7.170 1.00 2.01 C ATOM 803 CE LYS A 78 11.296 -8.918 8.522 1.00 2.67 C ATOM 804 NZ LYS A 78 10.505 -7.698 8.813 1.00 3.44 N ATOM 0 H LYS A 78 11.449 -8.859 4.494 1.00 0.90 H new ATOM 0 HA LYS A 78 13.643 -10.703 5.030 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.622 -10.978 5.109 1.00 1.13 H new ATOM 0 HB3 LYS A 78 11.721 -12.305 5.431 1.00 1.13 H new ATOM 0 HG2 LYS A 78 11.290 -11.585 7.573 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.744 -10.672 7.222 1.00 1.35 H new ATOM 0 HD2 LYS A 78 11.188 -8.799 6.382 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.875 -9.699 7.116 1.00 2.01 H new ATOM 0 HE2 LYS A 78 11.118 -9.660 9.301 1.00 2.67 H new ATOM 0 HE3 LYS A 78 12.358 -8.676 8.549 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 11.095 -7.018 9.333 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 10.187 -7.269 7.920 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 9.677 -7.950 9.390 1.00 3.44 H new ATOM 999 N THR B 38 -12.445 -7.363 4.766 1.00 0.97 N ATOM 1000 CA THR B 38 -13.871 -7.239 5.022 1.00 0.84 C ATOM 1001 C THR B 38 -14.457 -6.149 4.131 1.00 0.72 C ATOM 1002 O THR B 38 -13.700 -5.382 3.532 1.00 0.66 O ATOM 1003 CB THR B 38 -14.145 -6.887 6.498 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.374 -5.737 6.874 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.809 -8.054 7.414 1.00 0.95 C ATOM 0 HA THR B 38 -14.339 -8.198 4.802 1.00 0.84 H new ATOM 0 HB THR B 38 -15.207 -6.667 6.604 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.552 -5.516 7.812 1.00 0.85 H new ATOM 0 HG21 THR B 38 -14.013 -7.775 8.448 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.419 -8.916 7.144 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.754 -8.308 7.308 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.790 -6.058 3.996 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.410 -4.956 3.260 1.00 0.70 C ATOM 1015 C PRO B 39 -15.966 -3.610 3.815 1.00 0.62 C ATOM 1016 O PRO B 39 -15.609 -2.707 3.066 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.905 -5.163 3.485 1.00 0.78 C ATOM 1018 CG PRO B 39 -18.044 -6.618 3.781 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.788 -7.013 4.509 1.00 0.83 C ATOM 0 HA PRO B 39 -16.135 -4.951 2.205 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.269 -4.554 4.312 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.481 -4.881 2.604 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.926 -6.810 4.392 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -18.161 -7.194 2.863 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.906 -6.931 5.590 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.506 -8.044 4.296 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.955 -3.508 5.142 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.497 -2.307 5.836 1.00 0.64 C ATOM 1029 C ASP B 40 -14.088 -1.944 5.389 1.00 0.57 C ATOM 1030 O ASP B 40 -13.783 -0.783 5.103 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.496 -2.543 7.348 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.841 -3.002 7.871 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -17.220 -4.165 7.613 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -17.515 -2.211 8.560 1.00 2.16 O ATOM 0 H ASP B 40 -16.263 -4.254 5.766 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.176 -1.490 5.593 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.741 -3.290 7.594 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.209 -1.622 7.855 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.241 -2.961 5.327 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.864 -2.825 4.877 1.00 0.54 C ATOM 1041 C TYR B 41 -11.827 -2.266 3.457 1.00 0.46 C ATOM 1042 O TYR B 41 -10.996 -1.420 3.127 1.00 0.43 O ATOM 1043 CB TYR B 41 -11.215 -4.213 4.915 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.706 -4.245 4.840 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -9.033 -4.067 3.636 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.956 -4.497 5.979 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.655 -4.140 3.575 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.582 -4.565 5.926 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.938 -4.391 4.724 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.570 -4.471 4.671 1.00 0.82 O ATOM 0 H TYR B 41 -13.493 -3.914 5.590 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.322 -2.137 5.525 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.523 -4.710 5.835 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.612 -4.800 4.087 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.596 -3.869 2.736 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -9.458 -4.642 6.924 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.144 -4.001 2.634 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -7.013 -4.754 6.824 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.282 -4.536 3.737 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.764 -2.726 2.636 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.794 -2.377 1.223 1.00 0.39 C ATOM 1062 C LEU B 42 -13.444 -1.014 0.988 1.00 0.36 C ATOM 1063 O LEU B 42 -13.054 -0.292 0.075 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.543 -3.456 0.433 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.696 -3.190 -1.068 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.337 -3.059 -1.737 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.507 -4.295 -1.724 1.00 0.48 C ATOM 0 H LEU B 42 -13.518 -3.347 2.929 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.763 -2.317 0.875 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -13.023 -4.405 0.565 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.536 -3.575 0.866 1.00 0.43 H new ATOM 0 HG LEU B 42 -14.228 -2.247 -1.193 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.472 -2.871 -2.802 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.789 -2.230 -1.289 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.774 -3.982 -1.601 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.606 -4.090 -2.790 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -14.001 -5.250 -1.584 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.497 -4.339 -1.270 1.00 0.48 H new ATOM 1079 N MET B 43 -14.400 -0.638 1.830 1.00 0.39 N ATOM 1080 CA MET B 43 -15.152 0.595 1.611 1.00 0.40 C ATOM 1081 C MET B 43 -14.261 1.787 1.899 1.00 0.36 C ATOM 1082 O MET B 43 -14.313 2.809 1.209 1.00 0.36 O ATOM 1083 CB MET B 43 -16.399 0.658 2.500 1.00 0.47 C ATOM 1084 CG MET B 43 -17.417 -0.451 2.264 1.00 0.63 C ATOM 1085 SD MET B 43 -17.968 -0.570 0.548 1.00 0.85 S ATOM 1086 CE MET B 43 -16.949 -1.919 -0.049 1.00 0.54 C ATOM 0 H MET B 43 -14.672 -1.162 2.662 1.00 0.39 H new ATOM 0 HA MET B 43 -15.479 0.614 0.571 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.085 0.626 3.543 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.889 1.619 2.344 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.981 -1.404 2.564 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.283 -0.281 2.904 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.438 -1.612 -0.961 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.212 -2.181 0.710 1.00 0.54 H new ATOM 0 HE3 MET B 43 -17.577 -2.785 -0.259 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.424 1.627 2.913 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.461 2.651 3.283 1.00 0.35 C ATOM 1098 C GLN B 44 -11.422 2.803 2.179 1.00 0.30 C ATOM 1099 O GLN B 44 -10.994 3.911 1.860 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.787 2.290 4.607 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.739 2.300 5.791 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.125 1.708 7.040 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.495 2.408 7.831 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.305 0.411 7.228 1.00 0.75 N ATOM 0 H GLN B 44 -13.393 0.791 3.497 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.981 3.601 3.411 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.338 1.301 4.520 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.976 2.993 4.797 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.048 3.325 5.994 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.638 1.741 5.533 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.834 -0.134 6.548 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.915 -0.044 8.053 1.00 0.75 H new ATOM 1113 N LEU B 45 -11.037 1.676 1.588 1.00 0.27 N ATOM 1114 CA LEU B 45 -10.100 1.664 0.474 1.00 0.25 C ATOM 1115 C LEU B 45 -10.652 2.391 -0.740 1.00 0.23 C ATOM 1116 O LEU B 45 -9.903 3.043 -1.472 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.770 0.231 0.082 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.606 -0.398 0.834 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.453 -1.855 0.443 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.328 0.365 0.532 1.00 0.31 C ATOM 0 H LEU B 45 -11.365 0.751 1.867 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.200 2.182 0.806 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.656 -0.384 0.238 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.548 0.206 -0.985 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.806 -0.347 1.904 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.617 -2.292 0.988 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.368 -2.395 0.687 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.264 -1.926 -0.628 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.497 -0.089 1.072 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.127 0.329 -0.539 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.441 1.403 0.845 1.00 0.31 H new ATOM 1132 N MET B 46 -11.958 2.286 -0.948 1.00 0.26 N ATOM 1133 CA MET B 46 -12.579 2.886 -2.118 1.00 0.27 C ATOM 1134 C MET B 46 -12.440 4.389 -2.073 1.00 0.26 C ATOM 1135 O MET B 46 -12.358 5.042 -3.112 1.00 0.40 O ATOM 1136 CB MET B 46 -14.060 2.537 -2.219 1.00 0.33 C ATOM 1137 CG MET B 46 -14.347 1.055 -2.360 1.00 0.38 C ATOM 1138 SD MET B 46 -16.062 0.734 -2.812 1.00 0.49 S ATOM 1139 CE MET B 46 -16.918 1.833 -1.682 1.00 0.49 C ATOM 0 H MET B 46 -12.602 1.795 -0.327 1.00 0.26 H new ATOM 0 HA MET B 46 -12.065 2.484 -2.991 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.570 2.910 -1.331 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.486 3.060 -3.075 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.688 0.629 -3.117 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.120 0.552 -1.420 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.939 1.480 -1.535 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.397 1.848 -0.725 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.939 2.840 -2.099 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.390 4.943 -0.869 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.304 6.378 -0.696 1.00 0.30 C ATOM 1151 C ASN B 47 -10.854 6.827 -0.810 1.00 0.26 C ATOM 1152 O ASN B 47 -10.574 7.941 -1.239 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.864 6.757 0.679 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.854 8.250 0.944 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.047 9.061 0.038 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -12.631 8.622 2.194 1.00 1.43 N ATOM 0 H ASN B 47 -12.408 4.414 0.003 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.887 6.874 -1.472 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.886 6.388 0.761 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.281 6.255 1.451 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -12.615 9.613 2.436 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.476 7.918 2.916 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.931 5.933 -0.467 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.507 6.255 -0.487 1.00 0.25 C ATOM 1165 C ASP B 48 -8.011 6.385 -1.919 1.00 0.25 C ATOM 1166 O ASP B 48 -7.383 7.381 -2.280 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.689 5.181 0.236 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.735 5.292 1.748 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.114 6.365 2.273 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.353 4.314 2.427 1.00 0.74 O ATOM 0 H ASP B 48 -10.143 4.980 -0.172 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.376 7.205 0.031 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.057 4.198 -0.058 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.652 5.245 -0.092 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.323 5.384 -2.739 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.911 5.381 -4.138 1.00 0.27 C ATOM 1177 C LYS B 49 -8.628 6.496 -4.902 1.00 0.33 C ATOM 1178 O LYS B 49 -8.140 6.992 -5.918 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.203 4.020 -4.785 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.118 3.563 -5.754 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.001 4.501 -6.945 1.00 0.92 C ATOM 1182 CE LYS B 49 -5.668 4.351 -7.657 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.506 5.353 -8.746 1.00 2.10 N ATOM 0 H LYS B 49 -8.860 4.564 -2.457 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.837 5.559 -4.182 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.318 3.271 -4.001 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.154 4.075 -5.316 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.162 3.514 -5.233 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.343 2.556 -6.104 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.811 4.300 -7.646 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -7.119 5.531 -6.608 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -4.857 4.462 -6.937 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -5.589 3.347 -8.073 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -4.495 5.554 -8.885 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -5.908 4.976 -9.628 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -6.001 6.230 -8.487 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.762 6.921 -4.380 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.549 7.953 -5.029 1.00 0.37 C ATOM 1199 C LYS B 50 -9.992 9.323 -4.667 1.00 0.39 C ATOM 1200 O LYS B 50 -9.714 10.147 -5.537 1.00 0.44 O ATOM 1201 CB LYS B 50 -12.019 7.851 -4.608 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.936 8.838 -5.319 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.909 8.650 -6.830 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.370 7.257 -7.233 1.00 2.35 C ATOM 1205 NZ LYS B 50 -13.321 7.059 -8.703 1.00 3.05 N ATOM 0 H LYS B 50 -10.159 6.569 -3.509 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.492 7.816 -6.109 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.372 6.838 -4.801 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.091 8.014 -3.533 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -13.956 8.713 -4.956 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.633 9.856 -5.074 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -13.550 9.396 -7.301 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -11.898 8.820 -7.200 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -12.741 6.512 -6.746 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.388 7.096 -6.879 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -13.643 6.098 -8.935 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.941 7.753 -9.168 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -12.345 7.187 -9.038 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.806 9.535 -3.372 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.301 10.795 -2.854 1.00 0.44 C ATOM 1221 C LEU B 51 -7.893 11.079 -3.370 1.00 0.43 C ATOM 1222 O LEU B 51 -7.584 12.213 -3.735 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.333 10.771 -1.318 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.876 12.050 -0.610 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.636 12.230 0.691 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.383 12.001 -0.325 1.00 1.22 C ATOM 0 H LEU B 51 -10.001 8.838 -2.653 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.943 11.602 -3.207 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.352 10.549 -1.000 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.706 9.948 -0.975 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.082 12.895 -1.267 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.302 13.143 1.184 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.703 12.301 0.482 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -9.449 11.376 1.342 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.078 12.919 0.178 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.162 11.146 0.314 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -6.837 11.903 -1.263 1.00 1.22 H new ATOM 1238 N MET B 52 -7.047 10.049 -3.430 1.00 0.39 N ATOM 1239 CA MET B 52 -5.668 10.224 -3.876 1.00 0.37 C ATOM 1240 C MET B 52 -5.628 10.724 -5.320 1.00 0.41 C ATOM 1241 O MET B 52 -4.796 11.550 -5.676 1.00 0.47 O ATOM 1242 CB MET B 52 -4.874 8.910 -3.753 1.00 0.33 C ATOM 1243 CG MET B 52 -5.359 7.804 -4.677 1.00 1.29 C ATOM 1244 SD MET B 52 -4.348 6.310 -4.598 1.00 1.25 S ATOM 1245 CE MET B 52 -4.426 5.910 -2.852 1.00 0.32 C ATOM 0 H MET B 52 -7.292 9.092 -3.177 1.00 0.39 H new ATOM 0 HA MET B 52 -5.203 10.969 -3.231 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.824 9.111 -3.964 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.930 8.559 -2.723 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.388 7.552 -4.421 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.367 8.174 -5.702 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.646 4.849 -2.731 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.469 6.138 -2.383 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.211 6.499 -2.378 1.00 0.32 H new ATOM 1255 N SER B 53 -6.562 10.247 -6.132 1.00 0.41 N ATOM 1256 CA SER B 53 -6.594 10.585 -7.545 1.00 0.47 C ATOM 1257 C SER B 53 -7.185 11.979 -7.765 1.00 0.51 C ATOM 1258 O SER B 53 -7.170 12.506 -8.876 1.00 0.62 O ATOM 1259 CB SER B 53 -7.409 9.534 -8.295 1.00 0.52 C ATOM 1260 OG SER B 53 -6.933 8.220 -8.019 1.00 1.15 O ATOM 0 H SER B 53 -7.310 9.622 -5.832 1.00 0.41 H new ATOM 0 HA SER B 53 -5.574 10.596 -7.928 1.00 0.47 H new ATOM 0 HB2 SER B 53 -8.458 9.611 -8.009 1.00 0.52 H new ATOM 0 HB3 SER B 53 -7.356 9.725 -9.367 1.00 0.52 H new ATOM 0 HG SER B 53 -7.371 7.876 -7.212 1.00 1.15 H new ATOM 1266 N SER B 54 -7.705 12.568 -6.698 1.00 0.49 N ATOM 1267 CA SER B 54 -8.302 13.890 -6.769 1.00 0.54 C ATOM 1268 C SER B 54 -7.378 14.928 -6.127 1.00 0.53 C ATOM 1269 O SER B 54 -7.609 16.135 -6.225 1.00 0.53 O ATOM 1270 CB SER B 54 -9.665 13.867 -6.068 1.00 0.60 C ATOM 1271 OG SER B 54 -10.352 15.101 -6.209 1.00 1.30 O ATOM 0 H SER B 54 -7.724 12.147 -5.769 1.00 0.49 H new ATOM 0 HA SER B 54 -8.444 14.169 -7.813 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.273 13.063 -6.483 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.525 13.648 -5.009 1.00 0.60 H new ATOM 0 HG SER B 54 -9.705 15.837 -6.210 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.329 14.442 -5.478 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.384 15.308 -4.784 1.00 0.57 C ATOM 1279 C LEU B 55 -4.507 16.090 -5.758 1.00 0.65 C ATOM 1280 O LEU B 55 -4.128 15.581 -6.813 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.509 14.494 -3.835 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.219 13.993 -2.576 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.264 13.203 -1.702 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.813 15.154 -1.795 1.00 0.65 C ATOM 0 H LEU B 55 -6.110 13.448 -5.417 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.968 16.027 -4.209 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.112 13.636 -4.377 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.657 15.104 -3.536 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.031 13.334 -2.884 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.788 12.856 -0.812 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.886 12.345 -2.259 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.430 13.840 -1.407 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.313 14.775 -0.904 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.018 15.839 -1.501 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.534 15.681 -2.419 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.142 17.334 -5.395 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.354 18.214 -6.222 1.00 0.95 C ATOM 1298 C PRO B 56 -1.897 18.214 -5.781 1.00 0.88 C ATOM 1299 O PRO B 56 -1.401 19.189 -5.211 1.00 1.19 O ATOM 1300 CB PRO B 56 -4.011 19.565 -5.948 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.528 19.464 -4.539 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.440 18.008 -4.131 1.00 0.98 C ATOM 0 HA PRO B 56 -3.334 17.937 -7.276 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -3.295 20.380 -6.049 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.819 19.762 -6.652 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.938 20.088 -3.867 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.557 19.818 -4.481 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -3.658 17.842 -3.390 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.373 17.653 -3.694 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.231 17.115 -6.106 1.00 0.63 N ATOM 1311 CA ASN B 57 0.138 16.840 -5.640 1.00 0.62 C ATOM 1312 C ASN B 57 0.464 15.356 -5.693 1.00 0.57 C ATOM 1313 O ASN B 57 1.603 14.959 -5.433 1.00 0.59 O ATOM 1314 CB ASN B 57 0.396 17.345 -4.202 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.321 16.552 -3.110 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.519 16.063 -3.394 1.00 2.22 O flip ATOM 1317 ND2 ASN B 57 0.197 16.406 -2.003 1.00 1.73 N flip ATOM 0 H ASN B 57 -1.618 16.382 -6.701 1.00 0.63 H new ATOM 0 HA ASN B 57 0.787 17.387 -6.324 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.468 17.317 -4.008 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.088 18.388 -4.137 1.00 0.68 H new ATOM 0 HD21 ASN B 57 1.121 16.795 -1.817 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -0.298 15.896 -1.272 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.520 14.539 -6.044 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.376 13.102 -5.938 1.00 0.70 C ATOM 1326 C PHE B 58 0.625 12.583 -6.960 1.00 0.90 C ATOM 1327 O PHE B 58 1.577 11.895 -6.601 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.733 12.427 -6.118 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.705 10.951 -5.836 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.439 10.495 -4.557 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.950 10.025 -6.837 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.417 9.144 -4.276 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.928 8.670 -6.563 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.662 8.230 -5.279 1.00 0.69 C ATOM 0 H PHE B 58 -1.423 14.850 -6.403 1.00 0.62 H new ATOM 0 HA PHE B 58 0.005 12.861 -4.945 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.458 12.902 -5.457 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.079 12.588 -7.139 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.246 11.206 -3.768 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.160 10.365 -7.840 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -1.208 8.803 -3.273 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -2.118 7.956 -7.351 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.646 7.172 -5.062 1.00 0.69 H new ATOM 1344 N SER B 59 0.400 12.902 -8.231 1.00 0.91 N ATOM 1345 CA SER B 59 1.338 12.545 -9.288 1.00 1.02 C ATOM 1346 C SER B 59 2.640 13.350 -9.161 1.00 1.10 C ATOM 1347 O SER B 59 2.948 14.221 -9.981 1.00 1.84 O ATOM 1348 CB SER B 59 0.685 12.765 -10.658 1.00 1.21 C ATOM 1349 OG SER B 59 1.482 12.240 -11.709 1.00 1.84 O ATOM 0 H SER B 59 -0.425 13.408 -8.553 1.00 0.91 H new ATOM 0 HA SER B 59 1.594 11.490 -9.189 1.00 1.02 H new ATOM 0 HB2 SER B 59 -0.296 12.291 -10.674 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.527 13.831 -10.819 1.00 1.21 H new ATOM 0 HG SER B 59 1.036 12.396 -12.567 1.00 1.84 H new ATOM 1355 N GLY B 60 3.379 13.060 -8.105 1.00 0.91 N ATOM 1356 CA GLY B 60 4.659 13.690 -7.859 1.00 0.88 C ATOM 1357 C GLY B 60 5.292 13.136 -6.601 1.00 0.67 C ATOM 1358 O GLY B 60 6.514 13.050 -6.486 1.00 0.74 O ATOM 0 H GLY B 60 3.106 12.380 -7.395 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.321 13.525 -8.709 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.527 14.768 -7.762 1.00 0.88 H new ATOM 1362 N ILE B 61 4.442 12.745 -5.667 1.00 0.51 N ATOM 1363 CA ILE B 61 4.871 12.088 -4.445 1.00 0.54 C ATOM 1364 C ILE B 61 4.248 10.699 -4.401 1.00 0.73 C ATOM 1365 O ILE B 61 3.409 10.387 -5.245 1.00 1.81 O ATOM 1366 CB ILE B 61 4.449 12.892 -3.193 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.933 13.099 -3.185 1.00 0.64 C ATOM 1368 CG2 ILE B 61 5.176 14.228 -3.156 1.00 0.79 C ATOM 1369 CD1 ILE B 61 2.441 13.985 -2.062 1.00 0.79 C ATOM 0 H ILE B 61 3.433 12.875 -5.735 1.00 0.51 H new ATOM 0 HA ILE B 61 5.959 12.021 -4.442 1.00 0.54 H new ATOM 0 HB ILE B 61 4.723 12.328 -2.302 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.631 13.535 -4.137 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.444 12.128 -3.109 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.870 14.784 -2.270 1.00 0.79 H new ATOM 0 HG22 ILE B 61 6.252 14.056 -3.123 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.928 14.802 -4.049 1.00 0.79 H new ATOM 0 HD11 ILE B 61 1.357 14.083 -2.124 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.711 13.541 -1.104 1.00 0.79 H new ATOM 0 HD13 ILE B 61 2.900 14.970 -2.148 1.00 0.79 H new ATOM 1381 N PHE B 62 4.669 9.868 -3.453 1.00 0.58 N ATOM 1382 CA PHE B 62 4.090 8.532 -3.277 1.00 0.50 C ATOM 1383 C PHE B 62 4.411 7.626 -4.464 1.00 0.51 C ATOM 1384 O PHE B 62 3.687 7.606 -5.461 1.00 0.76 O ATOM 1385 CB PHE B 62 2.571 8.606 -3.094 1.00 0.50 C ATOM 1386 CG PHE B 62 2.127 9.441 -1.931 1.00 0.48 C ATOM 1387 CD1 PHE B 62 2.710 9.292 -0.685 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.113 10.368 -2.084 1.00 0.64 C ATOM 1389 CE1 PHE B 62 2.291 10.052 0.384 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.692 11.133 -1.019 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.282 10.972 0.218 1.00 0.59 C ATOM 0 H PHE B 62 5.411 10.093 -2.791 1.00 0.58 H new ATOM 0 HA PHE B 62 4.537 8.109 -2.378 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.127 9.008 -4.005 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.183 7.595 -2.969 1.00 0.50 H new ATOM 0 HD1 PHE B 62 3.503 8.571 -0.549 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.646 10.494 -3.050 1.00 0.64 H new ATOM 0 HE1 PHE B 62 2.754 9.926 1.352 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.098 11.857 -1.152 1.00 0.68 H new ATOM 0 HZ PHE B 62 0.952 11.568 1.056 1.00 0.59 H new ATOM 1401 N THR B 63 5.485 6.869 -4.347 1.00 0.35 N ATOM 1402 CA THR B 63 5.921 5.999 -5.425 1.00 0.38 C ATOM 1403 C THR B 63 5.115 4.698 -5.449 1.00 0.30 C ATOM 1404 O THR B 63 4.571 4.311 -6.481 1.00 0.38 O ATOM 1405 CB THR B 63 7.417 5.665 -5.275 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.135 6.834 -4.859 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.995 5.149 -6.584 1.00 0.66 C ATOM 0 H THR B 63 6.074 6.838 -3.515 1.00 0.35 H new ATOM 0 HA THR B 63 5.757 6.531 -6.362 1.00 0.38 H new ATOM 0 HB THR B 63 7.519 4.883 -4.522 1.00 0.49 H new ATOM 0 HG1 THR B 63 7.990 6.983 -3.901 1.00 0.79 H new ATOM 0 HG21 THR B 63 9.052 4.921 -6.450 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.464 4.246 -6.885 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.883 5.910 -7.356 1.00 0.66 H new ATOM 1415 N HIS B 64 5.053 4.025 -4.306 1.00 0.26 N ATOM 1416 CA HIS B 64 4.425 2.702 -4.213 1.00 0.25 C ATOM 1417 C HIS B 64 2.957 2.757 -3.788 1.00 0.25 C ATOM 1418 O HIS B 64 2.218 1.794 -3.981 1.00 0.54 O ATOM 1419 CB HIS B 64 5.198 1.813 -3.240 1.00 0.34 C ATOM 1420 CG HIS B 64 6.521 1.351 -3.767 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.772 0.044 -4.117 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.671 2.025 -3.995 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.015 -0.065 -4.538 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.587 1.121 -4.479 1.00 0.68 N ATOM 0 H HIS B 64 5.430 4.371 -3.424 1.00 0.26 H new ATOM 0 HA HIS B 64 4.456 2.282 -5.218 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.358 2.360 -2.311 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.590 0.942 -2.996 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.100 -0.721 -4.059 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.839 3.079 -3.828 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.488 -0.976 -4.876 1.00 0.83 H new ATOM 1433 N LEU B 65 2.544 3.881 -3.216 1.00 0.32 N ATOM 1434 CA LEU B 65 1.256 3.970 -2.518 1.00 0.22 C ATOM 1435 C LEU B 65 0.058 3.671 -3.424 1.00 0.21 C ATOM 1436 O LEU B 65 -0.828 2.904 -3.043 1.00 0.24 O ATOM 1437 CB LEU B 65 1.081 5.348 -1.866 1.00 0.29 C ATOM 1438 CG LEU B 65 1.927 5.619 -0.608 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.669 4.565 0.453 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.408 5.679 -0.939 1.00 0.99 C ATOM 0 H LEU B 65 3.080 4.749 -3.219 1.00 0.32 H new ATOM 0 HA LEU B 65 1.278 3.199 -1.747 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.317 6.110 -2.608 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.030 5.472 -1.605 1.00 0.29 H new ATOM 0 HG LEU B 65 1.628 6.591 -0.215 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.277 4.777 1.332 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.615 4.578 0.730 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.929 3.582 0.060 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.977 5.872 -0.029 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.723 4.729 -1.370 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.588 6.480 -1.656 1.00 0.99 H new ATOM 1452 N GLU B 66 0.031 4.256 -4.620 1.00 0.31 N ATOM 1453 CA GLU B 66 -1.119 4.092 -5.507 1.00 0.40 C ATOM 1454 C GLU B 66 -1.289 2.631 -5.904 1.00 0.38 C ATOM 1455 O GLU B 66 -2.397 2.090 -5.879 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.985 4.944 -6.772 1.00 0.53 C ATOM 1457 CG GLU B 66 -2.133 4.724 -7.742 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.976 5.468 -9.048 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -2.899 6.233 -9.414 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -0.942 5.278 -9.721 1.00 1.75 O ATOM 0 H GLU B 66 0.780 4.839 -4.993 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.997 4.426 -4.954 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.944 5.997 -6.495 1.00 0.53 H new ATOM 0 HB3 GLU B 66 -0.043 4.708 -7.268 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.222 3.658 -7.950 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -3.063 5.035 -7.267 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.183 1.992 -6.247 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.218 0.623 -6.725 1.00 0.44 C ATOM 1469 C ARG B 67 -0.600 -0.324 -5.596 1.00 0.39 C ATOM 1470 O ARG B 67 -1.256 -1.339 -5.825 1.00 0.40 O ATOM 1471 CB ARG B 67 1.133 0.218 -7.301 1.00 0.54 C ATOM 1472 CG ARG B 67 1.048 -0.987 -8.215 1.00 0.74 C ATOM 1473 CD ARG B 67 2.335 -1.774 -8.214 1.00 0.86 C ATOM 1474 NE ARG B 67 2.420 -2.586 -7.015 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.540 -2.982 -6.441 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.719 -2.654 -6.954 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.467 -3.716 -5.343 1.00 2.07 N ATOM 0 H ARG B 67 0.750 2.401 -6.203 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.968 0.559 -7.513 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.553 1.058 -7.854 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.820 -0.000 -6.483 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.227 -1.630 -7.896 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.821 -0.660 -9.230 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.382 -2.410 -9.098 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.186 -1.095 -8.264 1.00 0.86 H new ATOM 0 HE ARG B 67 1.543 -2.874 -6.581 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.767 -2.089 -7.802 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.577 -2.967 -6.500 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.557 -3.965 -4.956 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.321 -4.033 -4.883 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.208 0.025 -4.374 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.513 -0.799 -3.209 1.00 0.34 C ATOM 1493 C LEU B 68 -2.014 -0.881 -2.949 1.00 0.31 C ATOM 1494 O LEU B 68 -2.476 -1.779 -2.251 1.00 0.41 O ATOM 1495 CB LEU B 68 0.231 -0.286 -1.971 1.00 0.33 C ATOM 1496 CG LEU B 68 1.666 -0.797 -1.832 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.359 -0.158 -0.636 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.671 -2.315 -1.701 1.00 0.62 C ATOM 0 H LEU B 68 0.321 0.872 -4.165 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.167 -1.810 -3.424 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.249 0.803 -2.000 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.330 -0.572 -1.082 1.00 0.33 H new ATOM 0 HG LEU B 68 2.218 -0.518 -2.730 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.378 -0.538 -0.560 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.384 0.924 -0.766 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.812 -0.402 0.275 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.697 -2.668 -1.603 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.101 -2.606 -0.819 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.218 -2.758 -2.588 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.781 0.030 -3.538 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.236 -0.068 -3.459 1.00 0.24 C ATOM 1512 C LEU B 69 -4.740 -0.974 -4.579 1.00 0.25 C ATOM 1513 O LEU B 69 -5.743 -1.684 -4.444 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.928 1.304 -3.558 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.992 2.134 -2.267 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.372 2.730 -2.089 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.622 1.298 -1.053 1.00 0.30 C ATOM 0 H LEU B 69 -2.430 0.830 -4.065 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.484 -0.485 -2.483 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.412 1.892 -4.317 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.946 1.148 -3.914 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.266 2.942 -2.355 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.400 3.315 -1.170 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.602 3.375 -2.937 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.110 1.929 -2.032 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.677 1.915 -0.156 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.316 0.462 -0.962 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.608 0.917 -1.169 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.005 -0.993 -5.677 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.417 -1.771 -6.828 1.00 0.35 C ATOM 1531 C ASP B 70 -4.260 -3.250 -6.521 1.00 0.38 C ATOM 1532 O ASP B 70 -5.049 -4.068 -6.983 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.627 -1.382 -8.074 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.065 -2.155 -9.303 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.478 -3.219 -9.584 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.994 -1.695 -9.999 1.00 1.56 O ATOM 0 H ASP B 70 -3.129 -0.484 -5.794 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.466 -1.560 -7.036 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.747 -0.314 -8.258 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.566 -1.557 -7.897 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.250 -3.598 -5.729 1.00 0.42 N ATOM 1542 CA GLU B 71 -3.175 -4.945 -5.185 1.00 0.50 C ATOM 1543 C GLU B 71 -4.231 -5.135 -4.118 1.00 0.46 C ATOM 1544 O GLU B 71 -5.033 -6.049 -4.213 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.816 -5.265 -4.568 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.721 -5.574 -5.569 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.158 -4.340 -6.220 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -0.429 -4.119 -7.420 1.00 2.14 O ATOM 1549 OE2 GLU B 71 0.568 -3.596 -5.537 1.00 2.18 O ATOM 0 H GLU B 71 -2.488 -2.978 -5.455 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.336 -5.620 -6.025 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.502 -4.419 -3.957 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.928 -6.118 -3.899 1.00 0.61 H new ATOM 0 HG2 GLU B 71 0.083 -6.112 -5.066 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -1.116 -6.237 -6.339 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.254 -4.240 -3.131 1.00 0.43 N ATOM 1557 CA GLU B 72 -5.076 -4.432 -1.936 1.00 0.45 C ATOM 1558 C GLU B 72 -6.560 -4.446 -2.291 1.00 0.42 C ATOM 1559 O GLU B 72 -7.274 -5.390 -1.979 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.802 -3.323 -0.919 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.499 -3.538 0.412 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.869 -4.643 1.233 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.961 -5.821 0.829 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.298 -4.336 2.297 1.00 1.33 O ATOM 0 H GLU B 72 -3.713 -3.375 -3.135 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.813 -5.395 -1.499 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.727 -3.253 -0.750 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -5.122 -2.369 -1.338 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -5.476 -2.610 0.983 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.547 -3.777 0.233 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.993 -3.413 -2.993 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.393 -3.259 -3.362 1.00 0.35 C ATOM 1573 C ILE B 73 -8.846 -4.431 -4.210 1.00 0.40 C ATOM 1574 O ILE B 73 -9.915 -5.000 -3.991 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.627 -1.939 -4.130 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.545 -0.760 -3.167 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.962 -1.944 -4.863 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.736 0.585 -3.830 1.00 0.27 C ATOM 0 H ILE B 73 -6.389 -2.660 -3.323 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.978 -3.231 -2.443 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.846 -1.841 -4.884 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.301 -0.883 -2.392 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.575 -0.775 -2.671 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -10.091 -0.999 -5.391 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.981 -2.766 -5.579 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.771 -2.071 -4.144 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.664 1.373 -3.081 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.964 0.731 -4.586 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.718 0.622 -4.302 1.00 0.27 H new ATOM 1590 N SER B 74 -8.012 -4.808 -5.163 1.00 0.41 N ATOM 1591 CA SER B 74 -8.356 -5.912 -6.056 1.00 0.49 C ATOM 1592 C SER B 74 -8.342 -7.261 -5.322 1.00 0.54 C ATOM 1593 O SER B 74 -9.228 -8.097 -5.529 1.00 0.60 O ATOM 1594 CB SER B 74 -7.404 -5.945 -7.247 1.00 0.52 C ATOM 1595 OG SER B 74 -7.395 -4.697 -7.923 1.00 1.34 O ATOM 0 H SER B 74 -7.105 -4.377 -5.341 1.00 0.41 H new ATOM 0 HA SER B 74 -9.371 -5.743 -6.416 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.397 -6.186 -6.906 1.00 0.52 H new ATOM 0 HB3 SER B 74 -7.705 -6.734 -7.936 1.00 0.52 H new ATOM 0 HG SER B 74 -6.500 -4.302 -7.869 1.00 1.34 H new ATOM 1601 N ARG B 75 -7.366 -7.450 -4.438 1.00 0.56 N ATOM 1602 CA ARG B 75 -7.198 -8.733 -3.759 1.00 0.63 C ATOM 1603 C ARG B 75 -8.268 -8.915 -2.691 1.00 0.65 C ATOM 1604 O ARG B 75 -8.814 -10.003 -2.538 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.794 -8.895 -3.152 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.454 -7.898 -2.054 1.00 0.76 C ATOM 1607 CD ARG B 75 -4.155 -8.253 -1.357 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.996 -8.060 -2.227 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.769 -8.484 -1.931 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.558 -9.174 -0.819 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.756 -8.230 -2.752 1.00 3.67 N ATOM 0 H ARG B 75 -6.684 -6.738 -4.176 1.00 0.56 H new ATOM 0 HA ARG B 75 -7.312 -9.512 -4.512 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.702 -9.903 -2.749 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -5.056 -8.802 -3.949 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.376 -6.898 -2.481 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -6.263 -7.871 -1.324 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -4.044 -7.639 -0.463 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -4.192 -9.291 -1.028 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.135 -7.572 -3.112 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.335 -9.380 -0.191 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -0.619 -9.499 -0.591 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.916 -7.708 -3.614 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.182 -8.557 -2.521 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.584 -7.833 -1.980 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.625 -7.843 -0.955 1.00 0.67 C ATOM 1627 C VAL B 76 -10.971 -8.270 -1.543 1.00 0.71 C ATOM 1628 O VAL B 76 -11.797 -8.865 -0.853 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.752 -6.447 -0.281 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -11.024 -6.326 0.544 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.543 -6.172 0.600 1.00 0.59 C ATOM 0 H VAL B 76 -8.127 -6.929 -2.098 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.335 -8.570 -0.196 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.799 -5.707 -1.080 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -11.071 -5.335 0.996 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.891 -6.473 -0.100 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -11.023 -7.083 1.328 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.647 -5.191 1.065 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.476 -6.936 1.375 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.638 -6.192 -0.007 1.00 0.59 H new ATOM 1641 N ARG B 77 -11.161 -8.021 -2.834 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.434 -8.309 -3.480 1.00 0.73 C ATOM 1643 C ARG B 77 -12.613 -9.807 -3.728 1.00 0.87 C ATOM 1644 O ARG B 77 -13.737 -10.304 -3.727 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.581 -7.515 -4.780 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.845 -6.035 -4.543 1.00 0.80 C ATOM 1647 CD ARG B 77 -13.159 -5.290 -5.832 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.009 -5.209 -6.729 1.00 1.38 N ATOM 1649 CZ ARG B 77 -11.667 -4.111 -7.404 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.382 -2.999 -7.277 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -10.616 -4.126 -8.213 1.00 2.73 N ATOM 0 H ARG B 77 -10.453 -7.622 -3.450 1.00 0.66 H new ATOM 0 HA ARG B 77 -13.225 -7.994 -2.800 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.673 -7.627 -5.373 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -13.398 -7.935 -5.366 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.678 -5.924 -3.849 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.973 -5.584 -4.069 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -13.981 -5.790 -6.345 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.499 -4.283 -5.591 1.00 0.84 H new ATOM 0 HE ARG B 77 -11.433 -6.043 -6.846 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -13.195 -2.983 -6.662 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.118 -2.161 -7.795 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -10.067 -4.979 -8.320 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -10.357 -3.285 -8.728 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.517 -10.533 -3.926 1.00 0.90 N ATOM 1666 CA LYS B 78 -11.597 -11.987 -4.043 1.00 1.08 C ATOM 1667 C LYS B 78 -11.464 -12.615 -2.672 1.00 1.12 C ATOM 1668 O LYS B 78 -12.198 -13.536 -2.314 1.00 1.32 O ATOM 1669 CB LYS B 78 -10.491 -12.544 -4.938 1.00 1.13 C ATOM 1670 CG LYS B 78 -10.622 -12.173 -6.396 1.00 1.35 C ATOM 1671 CD LYS B 78 -10.015 -10.819 -6.663 1.00 2.01 C ATOM 1672 CE LYS B 78 -10.425 -10.299 -8.030 1.00 2.67 C ATOM 1673 NZ LYS B 78 -9.767 -9.010 -8.354 1.00 3.44 N ATOM 0 H LYS B 78 -10.576 -10.147 -4.008 1.00 0.90 H new ATOM 0 HA LYS B 78 -12.562 -12.228 -4.489 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.529 -12.188 -4.570 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -10.483 -13.631 -4.851 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -10.129 -12.925 -7.012 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -11.674 -12.167 -6.681 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -10.332 -10.116 -5.893 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.929 -10.886 -6.606 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -10.170 -11.037 -8.790 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -11.507 -10.171 -8.060 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -10.420 -8.416 -8.904 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -9.511 -8.520 -7.473 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -8.908 -9.189 -8.912 1.00 3.44 H new