USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 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 104 SER OG : rot -30:sc= 0.858 USER MOD Set 1.2: A 111 GLN : amide:sc= -0.27 K(o=0.59,f=-0.57) USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.259 K(o=0.08,f=-8.5!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.986 K(o=0.08,f=-6.5!) USER MOD Set 2.3: A 145 SER OG : rot 106:sc= 1.32 USER MOD Single : A 44 GLN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.98 (180deg=1.87) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.478 X(o=0.48,f=-0.0082) USER MOD Single : A 66 GLN : amide:sc= 0.32 K(o=0.32,f=-14!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -108:sc= 0.0407 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0655 K(o=-0.065,f=-0.75) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.751 K(o=0.75,f=-1.6) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.0063) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 113 TYR OH : rot 180:sc=-0.00232 USER MOD Single : A 115 ASN : amide:sc= -0.0307 K(o=-0.031,f=-0.8) USER MOD Single : A 122 CYS SG : rot -150:sc= -0.646 USER MOD Single : A 127 GLN : amide:sc= 1.02 K(o=1,f=-0.03) USER MOD Single : A 128 MET CE :methyl -120:sc= -0.512 (180deg=-1.32) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.914 K(o=0.91,f=-8.4!) USER MOD Single : A 139 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.16) USER MOD Single : A 140 LYS NZ :NH3+ -159:sc= 0.504 (180deg=-0.169) USER MOD Single : A 144 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.763 -2.727 -17.478 1.00 1.33 N ATOM 129 CA ALA A 42 -2.455 -1.908 -16.488 1.00 1.15 C ATOM 130 C ALA A 42 -3.878 -2.411 -16.196 1.00 0.86 C ATOM 131 O ALA A 42 -4.288 -2.406 -15.043 1.00 0.68 O ATOM 132 CB ALA A 42 -2.456 -0.460 -16.984 1.00 1.43 C ATOM 0 HA ALA A 42 -1.926 -1.975 -15.537 1.00 1.15 H new ATOM 0 HB1 ALA A 42 -2.969 0.172 -16.259 1.00 1.43 H new ATOM 0 HB2 ALA A 42 -1.429 -0.116 -17.104 1.00 1.43 H new ATOM 0 HB3 ALA A 42 -2.971 -0.404 -17.943 1.00 1.43 H new ATOM 138 N GLU A 43 -4.590 -2.944 -17.193 1.00 0.87 N ATOM 139 CA GLU A 43 -5.906 -3.580 -17.016 1.00 0.67 C ATOM 140 C GLU A 43 -5.911 -4.777 -16.039 1.00 0.56 C ATOM 141 O GLU A 43 -6.898 -4.991 -15.333 1.00 0.50 O ATOM 142 CB GLU A 43 -6.469 -3.974 -18.394 1.00 0.74 C ATOM 143 CG GLU A 43 -5.614 -5.005 -19.156 1.00 0.86 C ATOM 144 CD GLU A 43 -6.034 -5.212 -20.619 1.00 1.35 C ATOM 145 OE1 GLU A 43 -7.065 -4.650 -21.073 1.00 2.40 O ATOM 146 OE2 GLU A 43 -5.305 -5.949 -21.329 1.00 2.11 O ATOM 0 H GLU A 43 -4.267 -2.948 -18.161 1.00 0.87 H new ATOM 0 HA GLU A 43 -6.554 -2.841 -16.544 1.00 0.67 H new ATOM 0 HB2 GLU A 43 -7.473 -4.378 -18.262 1.00 0.74 H new ATOM 0 HB3 GLU A 43 -6.565 -3.076 -19.005 1.00 0.74 H new ATOM 0 HG2 GLU A 43 -4.572 -4.686 -19.130 1.00 0.86 H new ATOM 0 HG3 GLU A 43 -5.668 -5.961 -18.635 1.00 0.86 H new ATOM 153 N GLN A 44 -4.804 -5.524 -15.932 1.00 0.64 N ATOM 154 CA GLN A 44 -4.632 -6.584 -14.934 1.00 0.66 C ATOM 155 C GLN A 44 -4.329 -5.987 -13.560 1.00 0.54 C ATOM 156 O GLN A 44 -4.983 -6.333 -12.574 1.00 0.48 O ATOM 157 CB GLN A 44 -3.495 -7.507 -15.390 1.00 0.91 C ATOM 158 CG GLN A 44 -2.899 -8.470 -14.336 1.00 1.11 C ATOM 159 CD GLN A 44 -3.826 -9.552 -13.778 1.00 1.13 C ATOM 160 OE1 GLN A 44 -3.599 -10.740 -13.977 1.00 1.54 O ATOM 161 NE2 GLN A 44 -4.826 -9.197 -12.994 1.00 1.01 N ATOM 0 H GLN A 44 -3.996 -5.407 -16.543 1.00 0.64 H new ATOM 0 HA GLN A 44 -5.554 -7.158 -14.845 1.00 0.66 H new ATOM 0 HB2 GLN A 44 -3.860 -8.105 -16.225 1.00 0.91 H new ATOM 0 HB3 GLN A 44 -2.687 -6.884 -15.773 1.00 0.91 H new ATOM 0 HG2 GLN A 44 -2.033 -8.962 -14.779 1.00 1.11 H new ATOM 0 HG3 GLN A 44 -2.534 -7.873 -13.500 1.00 1.11 H new ATOM 0 HE21 GLN A 44 -5.017 -8.209 -12.827 1.00 1.01 H new ATOM 0 HE22 GLN A 44 -5.408 -9.910 -12.555 1.00 1.01 H new ATOM 170 N LEU A 45 -3.331 -5.106 -13.480 1.00 0.57 N ATOM 171 CA LEU A 45 -2.902 -4.478 -12.233 1.00 0.45 C ATOM 172 C LEU A 45 -4.018 -3.642 -11.587 1.00 0.33 C ATOM 173 O LEU A 45 -4.133 -3.621 -10.366 1.00 0.27 O ATOM 174 CB LEU A 45 -1.681 -3.621 -12.549 1.00 0.56 C ATOM 175 CG LEU A 45 -0.339 -4.367 -12.676 1.00 0.67 C ATOM 176 CD1 LEU A 45 0.212 -4.682 -11.281 1.00 0.53 C ATOM 177 CD2 LEU A 45 -0.343 -5.667 -13.487 1.00 0.88 C ATOM 0 H LEU A 45 -2.791 -4.805 -14.292 1.00 0.57 H new ATOM 0 HA LEU A 45 -2.652 -5.248 -11.503 1.00 0.45 H new ATOM 0 HB2 LEU A 45 -1.867 -3.091 -13.483 1.00 0.56 H new ATOM 0 HB3 LEU A 45 -1.581 -2.867 -11.768 1.00 0.56 H new ATOM 0 HG LEU A 45 0.286 -3.674 -13.239 1.00 0.67 H new ATOM 0 HD11 LEU A 45 1.161 -5.210 -11.375 1.00 0.53 H new ATOM 0 HD12 LEU A 45 0.366 -3.753 -10.732 1.00 0.53 H new ATOM 0 HD13 LEU A 45 -0.499 -5.308 -10.742 1.00 0.53 H new ATOM 0 HD21 LEU A 45 0.661 -6.092 -13.499 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -1.032 -6.378 -13.031 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -0.660 -5.458 -14.509 1.00 0.88 H new ATOM 189 N ASP A 46 -4.895 -3.046 -12.397 1.00 0.37 N ATOM 190 CA ASP A 46 -6.099 -2.332 -11.957 1.00 0.38 C ATOM 191 C ASP A 46 -7.074 -3.279 -11.226 1.00 0.32 C ATOM 192 O ASP A 46 -7.638 -2.973 -10.172 1.00 0.36 O ATOM 193 CB ASP A 46 -6.791 -1.734 -13.190 1.00 0.52 C ATOM 194 CG ASP A 46 -7.975 -0.843 -12.819 1.00 0.84 C ATOM 195 OD1 ASP A 46 -7.743 0.366 -12.558 1.00 1.70 O ATOM 196 OD2 ASP A 46 -9.134 -1.321 -12.823 1.00 1.83 O ATOM 0 H ASP A 46 -4.785 -3.046 -13.411 1.00 0.37 H new ATOM 0 HA ASP A 46 -5.809 -1.545 -11.260 1.00 0.38 H new ATOM 0 HB2 ASP A 46 -6.068 -1.153 -13.763 1.00 0.52 H new ATOM 0 HB3 ASP A 46 -7.136 -2.541 -13.837 1.00 0.52 H new ATOM 201 N ALA A 47 -7.218 -4.495 -11.757 1.00 0.33 N ATOM 202 CA ALA A 47 -8.086 -5.511 -11.177 1.00 0.41 C ATOM 203 C ALA A 47 -7.457 -6.120 -9.924 1.00 0.47 C ATOM 204 O ALA A 47 -8.174 -6.482 -8.993 1.00 0.61 O ATOM 205 CB ALA A 47 -8.432 -6.558 -12.242 1.00 0.45 C ATOM 0 H ALA A 47 -6.734 -4.799 -12.602 1.00 0.33 H new ATOM 0 HA ALA A 47 -9.020 -5.052 -10.851 1.00 0.41 H new ATOM 0 HB1 ALA A 47 -9.081 -7.318 -11.808 1.00 0.45 H new ATOM 0 HB2 ALA A 47 -8.945 -6.075 -13.074 1.00 0.45 H new ATOM 0 HB3 ALA A 47 -7.516 -7.026 -12.603 1.00 0.45 H new ATOM 211 N LEU A 48 -6.125 -6.139 -9.877 1.00 0.41 N ATOM 212 CA LEU A 48 -5.329 -6.490 -8.711 1.00 0.43 C ATOM 213 C LEU A 48 -5.513 -5.483 -7.556 1.00 0.37 C ATOM 214 O LEU A 48 -5.833 -5.893 -6.443 1.00 0.45 O ATOM 215 CB LEU A 48 -3.872 -6.613 -9.191 1.00 0.43 C ATOM 216 CG LEU A 48 -3.351 -8.054 -9.251 1.00 0.63 C ATOM 217 CD1 LEU A 48 -2.104 -8.143 -10.129 1.00 0.78 C ATOM 218 CD2 LEU A 48 -2.994 -8.533 -7.857 1.00 0.97 C ATOM 0 H LEU A 48 -5.552 -5.900 -10.686 1.00 0.41 H new ATOM 0 HA LEU A 48 -5.656 -7.439 -8.285 1.00 0.43 H new ATOM 0 HB2 LEU A 48 -3.788 -6.167 -10.182 1.00 0.43 H new ATOM 0 HB3 LEU A 48 -3.232 -6.034 -8.526 1.00 0.43 H new ATOM 0 HG LEU A 48 -4.137 -8.679 -9.675 1.00 0.63 H new ATOM 0 HD11 LEU A 48 -1.752 -9.174 -10.157 1.00 0.78 H new ATOM 0 HD12 LEU A 48 -2.346 -7.815 -11.140 1.00 0.78 H new ATOM 0 HD13 LEU A 48 -1.323 -7.504 -9.717 1.00 0.78 H new ATOM 0 HD21 LEU A 48 -2.625 -9.557 -7.908 1.00 0.97 H new ATOM 0 HD22 LEU A 48 -2.221 -7.889 -7.438 1.00 0.97 H new ATOM 0 HD23 LEU A 48 -3.879 -8.498 -7.222 1.00 0.97 H new ATOM 230 N VAL A 49 -5.417 -4.168 -7.801 1.00 0.31 N ATOM 231 CA VAL A 49 -5.726 -3.148 -6.769 1.00 0.35 C ATOM 232 C VAL A 49 -7.204 -3.056 -6.415 1.00 0.40 C ATOM 233 O VAL A 49 -7.521 -2.545 -5.345 1.00 0.49 O ATOM 234 CB VAL A 49 -5.243 -1.731 -7.123 1.00 0.36 C ATOM 235 CG1 VAL A 49 -3.739 -1.595 -7.227 1.00 0.36 C ATOM 236 CG2 VAL A 49 -5.802 -1.215 -8.444 1.00 0.37 C ATOM 0 H VAL A 49 -5.130 -3.779 -8.699 1.00 0.31 H new ATOM 0 HA VAL A 49 -5.168 -3.514 -5.907 1.00 0.35 H new ATOM 0 HB VAL A 49 -5.616 -1.144 -6.283 1.00 0.36 H new ATOM 0 HG11 VAL A 49 -3.483 -0.566 -7.480 1.00 0.36 H new ATOM 0 HG12 VAL A 49 -3.283 -1.858 -6.273 1.00 0.36 H new ATOM 0 HG13 VAL A 49 -3.366 -2.263 -8.004 1.00 0.36 H new ATOM 0 HG21 VAL A 49 -5.422 -0.211 -8.633 1.00 0.37 H new ATOM 0 HG22 VAL A 49 -5.494 -1.878 -9.253 1.00 0.37 H new ATOM 0 HG23 VAL A 49 -6.890 -1.187 -8.392 1.00 0.37 H new ATOM 246 N LYS A 50 -8.116 -3.540 -7.265 1.00 0.39 N ATOM 247 CA LYS A 50 -9.539 -3.623 -6.928 1.00 0.46 C ATOM 248 C LYS A 50 -9.999 -4.907 -6.218 1.00 0.52 C ATOM 249 O LYS A 50 -11.182 -5.044 -5.916 1.00 0.64 O ATOM 250 CB LYS A 50 -10.368 -3.274 -8.171 1.00 0.48 C ATOM 251 CG LYS A 50 -11.564 -2.427 -7.752 1.00 1.66 C ATOM 252 CD LYS A 50 -11.209 -0.962 -7.479 1.00 1.07 C ATOM 253 CE LYS A 50 -12.402 -0.225 -6.840 1.00 1.63 C ATOM 254 NZ LYS A 50 -13.576 -0.106 -7.741 1.00 2.41 N ATOM 0 H LYS A 50 -7.890 -3.883 -8.199 1.00 0.39 H new ATOM 0 HA LYS A 50 -9.717 -2.881 -6.149 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -9.756 -2.730 -8.891 1.00 0.48 H new ATOM 0 HB3 LYS A 50 -10.707 -4.185 -8.665 1.00 0.48 H new ATOM 0 HG2 LYS A 50 -12.321 -2.469 -8.535 1.00 1.66 H new ATOM 0 HG3 LYS A 50 -12.008 -2.858 -6.855 1.00 1.66 H new ATOM 0 HD2 LYS A 50 -10.345 -0.909 -6.817 1.00 1.07 H new ATOM 0 HD3 LYS A 50 -10.928 -0.471 -8.410 1.00 1.07 H new ATOM 0 HE2 LYS A 50 -12.701 -0.752 -5.934 1.00 1.63 H new ATOM 0 HE3 LYS A 50 -12.083 0.773 -6.538 1.00 1.63 H new ATOM 0 HZ1 LYS A 50 -14.341 0.399 -7.250 1.00 2.41 H new ATOM 0 HZ2 LYS A 50 -13.306 0.422 -8.595 1.00 2.41 H new ATOM 0 HZ3 LYS A 50 -13.905 -1.055 -8.010 1.00 2.41 H new ATOM 268 N LYS A 51 -9.100 -5.835 -5.884 1.00 0.52 N ATOM 269 CA LYS A 51 -9.407 -7.031 -5.081 1.00 0.62 C ATOM 270 C LYS A 51 -9.667 -6.730 -3.604 1.00 0.83 C ATOM 271 O LYS A 51 -10.227 -7.580 -2.906 1.00 1.21 O ATOM 272 CB LYS A 51 -8.292 -8.058 -5.298 1.00 0.82 C ATOM 273 CG LYS A 51 -8.611 -8.887 -6.550 1.00 0.98 C ATOM 274 CD LYS A 51 -7.411 -9.688 -7.060 1.00 1.54 C ATOM 275 CE LYS A 51 -7.760 -10.228 -8.454 1.00 1.04 C ATOM 276 NZ LYS A 51 -6.905 -11.361 -8.879 1.00 2.33 N ATOM 0 H LYS A 51 -8.121 -5.780 -6.166 1.00 0.52 H new ATOM 0 HA LYS A 51 -10.353 -7.448 -5.425 1.00 0.62 H new ATOM 0 HB2 LYS A 51 -7.333 -7.553 -5.415 1.00 0.82 H new ATOM 0 HB3 LYS A 51 -8.205 -8.709 -4.428 1.00 0.82 H new ATOM 0 HG2 LYS A 51 -9.429 -9.572 -6.327 1.00 0.98 H new ATOM 0 HG3 LYS A 51 -8.959 -8.222 -7.340 1.00 0.98 H new ATOM 0 HD2 LYS A 51 -6.524 -9.057 -7.107 1.00 1.54 H new ATOM 0 HD3 LYS A 51 -7.183 -10.508 -6.379 1.00 1.54 H new ATOM 0 HE2 LYS A 51 -8.802 -10.547 -8.461 1.00 1.04 H new ATOM 0 HE3 LYS A 51 -7.668 -9.421 -9.181 1.00 1.04 H new ATOM 0 HZ1 LYS A 51 -7.193 -11.677 -9.827 1.00 2.33 H new ATOM 0 HZ2 LYS A 51 -5.911 -11.056 -8.903 1.00 2.33 H new ATOM 0 HZ3 LYS A 51 -7.010 -12.147 -8.206 1.00 2.33 H new ATOM 290 N ASP A 52 -9.313 -5.532 -3.132 1.00 0.64 N ATOM 291 CA ASP A 52 -9.810 -4.981 -1.868 1.00 0.66 C ATOM 292 C ASP A 52 -9.891 -3.444 -1.903 1.00 0.65 C ATOM 293 O ASP A 52 -9.586 -2.810 -2.911 1.00 0.63 O ATOM 294 CB ASP A 52 -8.905 -5.474 -0.728 1.00 0.66 C ATOM 295 CG ASP A 52 -9.723 -5.886 0.496 1.00 0.83 C ATOM 296 OD1 ASP A 52 -10.525 -5.052 0.977 1.00 1.46 O ATOM 297 OD2 ASP A 52 -9.621 -7.057 0.936 1.00 2.04 O ATOM 0 H ASP A 52 -8.668 -4.911 -3.621 1.00 0.64 H new ATOM 0 HA ASP A 52 -10.828 -5.332 -1.701 1.00 0.66 H new ATOM 0 HB2 ASP A 52 -8.312 -6.321 -1.073 1.00 0.66 H new ATOM 0 HB3 ASP A 52 -8.205 -4.686 -0.451 1.00 0.66 H new ATOM 302 N LYS A 53 -10.273 -2.830 -0.779 1.00 0.68 N ATOM 303 CA LYS A 53 -10.235 -1.364 -0.599 1.00 0.68 C ATOM 304 C LYS A 53 -8.922 -0.806 -0.090 1.00 0.59 C ATOM 305 O LYS A 53 -8.697 0.394 -0.211 1.00 0.61 O ATOM 306 CB LYS A 53 -11.370 -0.830 0.258 1.00 0.72 C ATOM 307 CG LYS A 53 -12.095 -1.786 1.185 1.00 1.12 C ATOM 308 CD LYS A 53 -11.378 -2.129 2.499 1.00 0.68 C ATOM 309 CE LYS A 53 -12.136 -3.204 3.298 1.00 0.96 C ATOM 310 NZ LYS A 53 -11.308 -4.410 3.557 1.00 1.28 N ATOM 0 H LYS A 53 -10.620 -3.332 0.038 1.00 0.68 H new ATOM 0 HA LYS A 53 -10.358 -1.006 -1.621 1.00 0.68 H new ATOM 0 HB2 LYS A 53 -10.971 -0.019 0.867 1.00 0.72 H new ATOM 0 HB3 LYS A 53 -12.111 -0.392 -0.411 1.00 0.72 H new ATOM 0 HG2 LYS A 53 -13.068 -1.358 1.427 1.00 1.12 H new ATOM 0 HG3 LYS A 53 -12.281 -2.714 0.644 1.00 1.12 H new ATOM 0 HD2 LYS A 53 -10.369 -2.481 2.282 1.00 0.68 H new ATOM 0 HD3 LYS A 53 -11.278 -1.228 3.105 1.00 0.68 H new ATOM 0 HE2 LYS A 53 -12.464 -2.782 4.248 1.00 0.96 H new ATOM 0 HE3 LYS A 53 -13.033 -3.494 2.751 1.00 0.96 H new ATOM 0 HZ1 LYS A 53 -11.840 -5.074 4.155 1.00 1.28 H new ATOM 0 HZ2 LYS A 53 -11.072 -4.869 2.654 1.00 1.28 H new ATOM 0 HZ3 LYS A 53 -10.432 -4.132 4.043 1.00 1.28 H new ATOM 324 N VAL A 54 -8.088 -1.658 0.486 1.00 0.53 N ATOM 325 CA VAL A 54 -6.764 -1.304 1.011 1.00 0.47 C ATOM 326 C VAL A 54 -5.875 -2.426 0.547 1.00 0.47 C ATOM 327 O VAL A 54 -5.829 -3.498 1.151 1.00 0.63 O ATOM 328 CB VAL A 54 -6.692 -1.142 2.549 1.00 0.45 C ATOM 329 CG1 VAL A 54 -5.690 -0.077 2.967 1.00 0.47 C ATOM 330 CG2 VAL A 54 -8.034 -0.812 3.177 1.00 0.46 C ATOM 0 H VAL A 54 -8.314 -2.645 0.608 1.00 0.53 H new ATOM 0 HA VAL A 54 -6.469 -0.320 0.646 1.00 0.47 H new ATOM 0 HB VAL A 54 -6.366 -2.116 2.914 1.00 0.45 H new ATOM 0 HG11 VAL A 54 -5.674 0.001 4.054 1.00 0.47 H new ATOM 0 HG12 VAL A 54 -4.698 -0.350 2.608 1.00 0.47 H new ATOM 0 HG13 VAL A 54 -5.979 0.883 2.539 1.00 0.47 H new ATOM 0 HG21 VAL A 54 -7.916 -0.711 4.256 1.00 0.46 H new ATOM 0 HG22 VAL A 54 -8.408 0.125 2.764 1.00 0.46 H new ATOM 0 HG23 VAL A 54 -8.743 -1.612 2.963 1.00 0.46 H new ATOM 340 N VAL A 55 -5.273 -2.225 -0.609 1.00 0.46 N ATOM 341 CA VAL A 55 -4.434 -3.264 -1.205 1.00 0.45 C ATOM 342 C VAL A 55 -2.983 -2.836 -1.090 1.00 0.44 C ATOM 343 O VAL A 55 -2.584 -1.783 -1.589 1.00 0.44 O ATOM 344 CB VAL A 55 -4.885 -3.669 -2.620 1.00 0.52 C ATOM 345 CG1 VAL A 55 -4.359 -5.069 -2.896 1.00 0.90 C ATOM 346 CG2 VAL A 55 -6.393 -3.892 -2.729 1.00 1.30 C ATOM 0 H VAL A 55 -5.343 -1.366 -1.154 1.00 0.46 H new ATOM 0 HA VAL A 55 -4.548 -4.195 -0.649 1.00 0.45 H new ATOM 0 HB VAL A 55 -4.540 -2.873 -3.280 1.00 0.52 H new ATOM 0 HG11 VAL A 55 -4.664 -5.382 -3.894 1.00 0.90 H new ATOM 0 HG12 VAL A 55 -3.271 -5.068 -2.833 1.00 0.90 H new ATOM 0 HG13 VAL A 55 -4.764 -5.762 -2.159 1.00 0.90 H new ATOM 0 HG21 VAL A 55 -6.646 -4.175 -3.751 1.00 1.30 H new ATOM 0 HG22 VAL A 55 -6.693 -4.688 -2.047 1.00 1.30 H new ATOM 0 HG23 VAL A 55 -6.917 -2.973 -2.467 1.00 1.30 H new ATOM 356 N VAL A 56 -2.218 -3.638 -0.353 1.00 0.44 N ATOM 357 CA VAL A 56 -0.844 -3.349 0.066 1.00 0.44 C ATOM 358 C VAL A 56 0.098 -4.296 -0.636 1.00 0.45 C ATOM 359 O VAL A 56 -0.274 -5.418 -0.947 1.00 0.47 O ATOM 360 CB VAL A 56 -0.719 -3.448 1.593 1.00 0.46 C ATOM 361 CG1 VAL A 56 0.634 -3.050 2.134 1.00 0.48 C ATOM 362 CG2 VAL A 56 -1.654 -2.434 2.229 1.00 0.50 C ATOM 0 H VAL A 56 -2.549 -4.543 -0.017 1.00 0.44 H new ATOM 0 HA VAL A 56 -0.578 -2.329 -0.213 1.00 0.44 H new ATOM 0 HB VAL A 56 -0.928 -4.493 1.822 1.00 0.46 H new ATOM 0 HG11 VAL A 56 0.635 -3.149 3.219 1.00 0.48 H new ATOM 0 HG12 VAL A 56 1.401 -3.698 1.709 1.00 0.48 H new ATOM 0 HG13 VAL A 56 0.844 -2.015 1.864 1.00 0.48 H new ATOM 0 HG21 VAL A 56 -1.573 -2.495 3.314 1.00 0.50 H new ATOM 0 HG22 VAL A 56 -1.380 -1.431 1.901 1.00 0.50 H new ATOM 0 HG23 VAL A 56 -2.680 -2.647 1.929 1.00 0.50 H new ATOM 372 N PHE A 57 1.303 -3.835 -0.918 1.00 0.44 N ATOM 373 CA PHE A 57 2.148 -4.414 -1.953 1.00 0.45 C ATOM 374 C PHE A 57 3.599 -4.325 -1.528 1.00 0.44 C ATOM 375 O PHE A 57 4.147 -3.225 -1.473 1.00 0.47 O ATOM 376 CB PHE A 57 1.934 -3.548 -3.185 1.00 0.49 C ATOM 377 CG PHE A 57 0.741 -3.943 -4.022 1.00 0.52 C ATOM 378 CD1 PHE A 57 0.858 -4.895 -5.052 1.00 1.95 C ATOM 379 CD2 PHE A 57 -0.491 -3.327 -3.778 1.00 1.90 C ATOM 380 CE1 PHE A 57 -0.251 -5.176 -5.877 1.00 1.96 C ATOM 381 CE2 PHE A 57 -1.596 -3.604 -4.598 1.00 1.88 C ATOM 382 CZ PHE A 57 -1.476 -4.512 -5.663 1.00 0.51 C ATOM 0 H PHE A 57 1.728 -3.044 -0.434 1.00 0.44 H new ATOM 0 HA PHE A 57 1.906 -5.461 -2.138 1.00 0.45 H new ATOM 0 HB2 PHE A 57 1.815 -2.511 -2.870 1.00 0.49 H new ATOM 0 HB3 PHE A 57 2.829 -3.592 -3.806 1.00 0.49 H new ATOM 0 HD1 PHE A 57 1.795 -5.409 -5.210 1.00 1.95 H new ATOM 0 HD2 PHE A 57 -0.592 -2.635 -2.955 1.00 1.90 H new ATOM 0 HE1 PHE A 57 -0.162 -5.900 -6.673 1.00 1.96 H new ATOM 0 HE2 PHE A 57 -2.542 -3.117 -4.409 1.00 1.88 H new ATOM 0 HZ PHE A 57 -2.317 -4.700 -6.314 1.00 0.51 H new ATOM 392 N LEU A 58 4.211 -5.450 -1.163 1.00 0.43 N ATOM 393 CA LEU A 58 5.554 -5.430 -0.608 1.00 0.43 C ATOM 394 C LEU A 58 6.303 -6.733 -0.953 1.00 0.41 C ATOM 395 O LEU A 58 5.679 -7.789 -1.107 1.00 0.47 O ATOM 396 CB LEU A 58 5.500 -5.052 0.906 1.00 0.45 C ATOM 397 CG LEU A 58 4.120 -5.105 1.643 1.00 0.45 C ATOM 398 CD1 LEU A 58 3.709 -6.482 2.149 1.00 0.47 C ATOM 399 CD2 LEU A 58 4.120 -4.124 2.801 1.00 0.56 C ATOM 0 H LEU A 58 3.798 -6.379 -1.243 1.00 0.43 H new ATOM 0 HA LEU A 58 6.155 -4.647 -1.070 1.00 0.43 H new ATOM 0 HB2 LEU A 58 6.184 -5.714 1.437 1.00 0.45 H new ATOM 0 HB3 LEU A 58 5.891 -4.040 1.009 1.00 0.45 H new ATOM 0 HG LEU A 58 3.381 -4.835 0.889 1.00 0.45 H new ATOM 0 HD11 LEU A 58 2.740 -6.414 2.644 1.00 0.47 H new ATOM 0 HD12 LEU A 58 3.639 -7.172 1.309 1.00 0.47 H new ATOM 0 HD13 LEU A 58 4.453 -6.847 2.857 1.00 0.47 H new ATOM 0 HD21 LEU A 58 3.158 -4.164 3.312 1.00 0.56 H new ATOM 0 HD22 LEU A 58 4.913 -4.387 3.501 1.00 0.56 H new ATOM 0 HD23 LEU A 58 4.289 -3.116 2.424 1.00 0.56 H new ATOM 411 N LYS A 59 7.641 -6.710 -1.110 1.00 0.38 N ATOM 412 CA LYS A 59 8.398 -7.958 -1.373 1.00 0.45 C ATOM 413 C LYS A 59 8.668 -8.677 -0.047 1.00 0.41 C ATOM 414 O LYS A 59 9.807 -8.848 0.356 1.00 0.44 O ATOM 415 CB LYS A 59 9.662 -7.670 -2.206 1.00 0.57 C ATOM 416 CG LYS A 59 10.519 -6.509 -1.687 1.00 0.62 C ATOM 417 CD LYS A 59 12.014 -6.809 -1.636 1.00 0.82 C ATOM 418 CE LYS A 59 12.495 -7.012 -3.069 1.00 1.09 C ATOM 419 NZ LYS A 59 13.971 -6.936 -3.170 1.00 1.43 N ATOM 0 H LYS A 59 8.212 -5.866 -1.062 1.00 0.38 H new ATOM 0 HA LYS A 59 7.806 -8.639 -1.984 1.00 0.45 H new ATOM 0 HB2 LYS A 59 10.274 -8.571 -2.236 1.00 0.57 H new ATOM 0 HB3 LYS A 59 9.363 -7.453 -3.232 1.00 0.57 H new ATOM 0 HG2 LYS A 59 10.356 -5.639 -2.323 1.00 0.62 H new ATOM 0 HG3 LYS A 59 10.179 -6.240 -0.687 1.00 0.62 H new ATOM 0 HD2 LYS A 59 12.553 -5.987 -1.164 1.00 0.82 H new ATOM 0 HD3 LYS A 59 12.205 -7.700 -1.038 1.00 0.82 H new ATOM 0 HE2 LYS A 59 12.155 -7.982 -3.432 1.00 1.09 H new ATOM 0 HE3 LYS A 59 12.047 -6.255 -3.713 1.00 1.09 H new ATOM 0 HZ1 LYS A 59 14.259 -7.079 -4.159 1.00 1.43 H new ATOM 0 HZ2 LYS A 59 14.293 -6.001 -2.847 1.00 1.43 H new ATOM 0 HZ3 LYS A 59 14.398 -7.674 -2.575 1.00 1.43 H new ATOM 433 N GLY A 60 7.596 -9.090 0.623 1.00 0.43 N ATOM 434 CA GLY A 60 7.550 -9.262 2.078 1.00 0.50 C ATOM 435 C GLY A 60 6.108 -9.409 2.582 1.00 0.56 C ATOM 436 O GLY A 60 5.171 -9.513 1.789 1.00 0.75 O ATOM 0 H GLY A 60 6.715 -9.320 0.163 1.00 0.43 H new ATOM 0 HA2 GLY A 60 8.126 -10.143 2.360 1.00 0.50 H new ATOM 0 HA3 GLY A 60 8.020 -8.406 2.562 1.00 0.50 H new ATOM 440 N THR A 61 5.910 -9.393 3.895 1.00 0.56 N ATOM 441 CA THR A 61 4.598 -9.542 4.560 1.00 0.54 C ATOM 442 C THR A 61 4.514 -8.599 5.763 1.00 0.52 C ATOM 443 O THR A 61 5.545 -8.092 6.214 1.00 0.54 O ATOM 444 CB THR A 61 4.396 -10.999 5.026 1.00 0.58 C ATOM 445 OG1 THR A 61 5.302 -11.342 6.046 1.00 0.74 O ATOM 446 CG2 THR A 61 4.536 -12.016 3.893 1.00 0.60 C ATOM 0 H THR A 61 6.676 -9.273 4.558 1.00 0.56 H new ATOM 0 HA THR A 61 3.814 -9.288 3.847 1.00 0.54 H new ATOM 0 HB THR A 61 3.373 -11.041 5.401 1.00 0.58 H new ATOM 0 HG1 THR A 61 5.148 -12.270 6.322 1.00 0.74 H new ATOM 0 HG21 THR A 61 4.383 -13.021 4.285 1.00 0.60 H new ATOM 0 HG22 THR A 61 3.791 -11.809 3.124 1.00 0.60 H new ATOM 0 HG23 THR A 61 5.534 -11.943 3.460 1.00 0.60 H new ATOM 454 N PRO A 62 3.319 -8.362 6.332 1.00 0.49 N ATOM 455 CA PRO A 62 3.162 -7.533 7.531 1.00 0.55 C ATOM 456 C PRO A 62 3.907 -8.055 8.774 1.00 0.62 C ATOM 457 O PRO A 62 4.121 -7.308 9.725 1.00 0.78 O ATOM 458 CB PRO A 62 1.650 -7.450 7.775 1.00 0.68 C ATOM 459 CG PRO A 62 1.074 -8.639 7.010 1.00 0.57 C ATOM 460 CD PRO A 62 2.017 -8.774 5.829 1.00 0.51 C ATOM 0 HA PRO A 62 3.616 -6.557 7.361 1.00 0.55 H new ATOM 0 HB2 PRO A 62 1.415 -7.510 8.838 1.00 0.68 H new ATOM 0 HB3 PRO A 62 1.240 -6.508 7.411 1.00 0.68 H new ATOM 0 HG2 PRO A 62 1.059 -9.542 7.620 1.00 0.57 H new ATOM 0 HG3 PRO A 62 0.049 -8.454 6.689 1.00 0.57 H new ATOM 0 HD2 PRO A 62 2.043 -9.800 5.461 1.00 0.51 H new ATOM 0 HD3 PRO A 62 1.699 -8.145 4.997 1.00 0.51 H new ATOM 468 N GLU A 63 4.338 -9.318 8.777 1.00 0.76 N ATOM 469 CA GLU A 63 5.188 -9.914 9.820 1.00 1.15 C ATOM 470 C GLU A 63 6.689 -9.621 9.635 1.00 1.36 C ATOM 471 O GLU A 63 7.486 -9.861 10.546 1.00 1.61 O ATOM 472 CB GLU A 63 4.973 -11.435 9.826 1.00 1.75 C ATOM 473 CG GLU A 63 3.517 -11.810 10.123 1.00 1.61 C ATOM 474 CD GLU A 63 3.376 -13.321 10.292 1.00 2.52 C ATOM 475 OE1 GLU A 63 3.660 -13.847 11.396 1.00 3.84 O ATOM 476 OE2 GLU A 63 2.993 -13.994 9.305 1.00 2.99 O ATOM 0 H GLU A 63 4.101 -9.976 8.035 1.00 0.76 H new ATOM 0 HA GLU A 63 4.893 -9.461 10.767 1.00 1.15 H new ATOM 0 HB2 GLU A 63 5.263 -11.845 8.859 1.00 1.75 H new ATOM 0 HB3 GLU A 63 5.624 -11.890 10.573 1.00 1.75 H new ATOM 0 HG2 GLU A 63 3.183 -11.304 11.029 1.00 1.61 H new ATOM 0 HG3 GLU A 63 2.875 -11.468 9.312 1.00 1.61 H new ATOM 483 N GLN A 64 7.101 -9.158 8.450 1.00 1.52 N ATOM 484 CA GLN A 64 8.503 -9.093 8.042 1.00 1.80 C ATOM 485 C GLN A 64 8.920 -7.704 7.523 1.00 1.93 C ATOM 486 O GLN A 64 8.441 -7.281 6.464 1.00 2.22 O ATOM 487 CB GLN A 64 8.740 -10.156 6.962 1.00 2.26 C ATOM 488 CG GLN A 64 8.599 -11.617 7.403 1.00 2.42 C ATOM 489 CD GLN A 64 9.690 -11.998 8.381 1.00 2.96 C ATOM 490 OE1 GLN A 64 10.770 -12.435 8.003 1.00 3.42 O ATOM 491 NE2 GLN A 64 9.489 -11.774 9.654 1.00 4.24 N ATOM 0 H GLN A 64 6.457 -8.813 7.738 1.00 1.52 H new ATOM 0 HA GLN A 64 9.119 -9.282 8.921 1.00 1.80 H new ATOM 0 HB2 GLN A 64 8.040 -9.976 6.146 1.00 2.26 H new ATOM 0 HB3 GLN A 64 9.743 -10.016 6.559 1.00 2.26 H new ATOM 0 HG2 GLN A 64 7.623 -11.768 7.865 1.00 2.42 H new ATOM 0 HG3 GLN A 64 8.644 -12.269 6.531 1.00 2.42 H new ATOM 0 HE21 GLN A 64 8.591 -11.410 9.972 1.00 4.24 H new ATOM 0 HE22 GLN A 64 10.230 -11.963 10.328 1.00 4.24 H new ATOM 500 N PRO A 65 9.908 -7.030 8.149 1.00 1.93 N ATOM 501 CA PRO A 65 10.697 -5.990 7.490 1.00 1.97 C ATOM 502 C PRO A 65 11.644 -6.643 6.468 1.00 1.73 C ATOM 503 O PRO A 65 12.859 -6.686 6.671 1.00 1.98 O ATOM 504 CB PRO A 65 11.432 -5.260 8.619 1.00 2.13 C ATOM 505 CG PRO A 65 11.659 -6.366 9.646 1.00 2.19 C ATOM 506 CD PRO A 65 10.423 -7.257 9.498 1.00 2.00 C ATOM 0 HA PRO A 65 10.096 -5.278 6.924 1.00 1.97 H new ATOM 0 HB2 PRO A 65 12.372 -4.827 8.276 1.00 2.13 H new ATOM 0 HB3 PRO A 65 10.836 -4.444 9.028 1.00 2.13 H new ATOM 0 HG2 PRO A 65 12.577 -6.918 9.444 1.00 2.19 H new ATOM 0 HG3 PRO A 65 11.744 -5.964 10.656 1.00 2.19 H new ATOM 0 HD2 PRO A 65 10.681 -8.306 9.643 1.00 2.00 H new ATOM 0 HD3 PRO A 65 9.672 -7.007 10.247 1.00 2.00 H new ATOM 514 N GLN A 66 11.076 -7.174 5.379 1.00 1.31 N ATOM 515 CA GLN A 66 11.748 -7.880 4.275 1.00 0.95 C ATOM 516 C GLN A 66 13.158 -7.359 3.952 1.00 0.98 C ATOM 517 O GLN A 66 14.116 -8.120 3.805 1.00 1.03 O ATOM 518 CB GLN A 66 10.875 -7.791 3.020 1.00 0.72 C ATOM 519 CG GLN A 66 10.929 -6.566 2.077 1.00 1.62 C ATOM 520 CD GLN A 66 10.521 -5.205 2.613 1.00 1.34 C ATOM 521 OE1 GLN A 66 10.669 -4.869 3.776 1.00 2.95 O ATOM 522 NE2 GLN A 66 9.968 -4.362 1.775 1.00 1.23 N ATOM 0 H GLN A 66 10.068 -7.120 5.233 1.00 1.31 H new ATOM 0 HA GLN A 66 11.877 -8.911 4.604 1.00 0.95 H new ATOM 0 HB2 GLN A 66 11.104 -8.667 2.413 1.00 0.72 H new ATOM 0 HB3 GLN A 66 9.840 -7.892 3.347 1.00 0.72 H new ATOM 0 HG2 GLN A 66 11.951 -6.481 1.707 1.00 1.62 H new ATOM 0 HG3 GLN A 66 10.295 -6.784 1.217 1.00 1.62 H new ATOM 0 HE21 GLN A 66 9.836 -4.626 0.799 1.00 1.23 H new ATOM 0 HE22 GLN A 66 9.670 -3.442 2.099 1.00 1.23 H new ATOM 531 N CYS A 67 13.229 -6.031 3.858 1.00 1.07 N ATOM 532 CA CYS A 67 14.383 -5.182 3.633 1.00 1.16 C ATOM 533 C CYS A 67 14.096 -3.811 4.298 1.00 1.26 C ATOM 534 O CYS A 67 14.174 -2.752 3.669 1.00 2.98 O ATOM 535 CB CYS A 67 14.628 -5.118 2.117 1.00 1.16 C ATOM 536 SG CYS A 67 16.235 -4.366 1.767 1.00 1.50 S ATOM 0 H CYS A 67 12.382 -5.470 3.949 1.00 1.07 H new ATOM 0 HA CYS A 67 15.300 -5.562 4.082 1.00 1.16 H new ATOM 0 HB2 CYS A 67 14.590 -6.122 1.694 1.00 1.16 H new ATOM 0 HB3 CYS A 67 13.837 -4.540 1.639 1.00 1.16 H new ATOM 0 HG CYS A 67 16.423 -4.323 0.481 1.00 1.50 H new ATOM 542 N GLY A 68 13.603 -3.840 5.543 1.00 1.37 N ATOM 543 CA GLY A 68 13.035 -2.681 6.246 1.00 1.66 C ATOM 544 C GLY A 68 11.582 -2.378 5.851 1.00 1.74 C ATOM 545 O GLY A 68 10.649 -2.567 6.633 1.00 3.09 O ATOM 0 H GLY A 68 13.587 -4.692 6.104 1.00 1.37 H new ATOM 0 HA2 GLY A 68 13.082 -2.859 7.320 1.00 1.66 H new ATOM 0 HA3 GLY A 68 13.650 -1.804 6.041 1.00 1.66 H new ATOM 549 N PHE A 69 11.397 -1.914 4.615 1.00 1.39 N ATOM 550 CA PHE A 69 10.264 -1.076 4.197 1.00 1.20 C ATOM 551 C PHE A 69 8.856 -1.663 4.400 1.00 1.02 C ATOM 552 O PHE A 69 7.907 -0.914 4.609 1.00 0.86 O ATOM 553 CB PHE A 69 10.453 -0.715 2.716 1.00 1.80 C ATOM 554 CG PHE A 69 11.378 0.451 2.428 1.00 1.00 C ATOM 555 CD1 PHE A 69 12.611 0.641 3.083 1.00 2.18 C ATOM 556 CD2 PHE A 69 10.945 1.401 1.497 1.00 1.93 C ATOM 557 CE1 PHE A 69 13.361 1.804 2.839 1.00 2.36 C ATOM 558 CE2 PHE A 69 11.659 2.585 1.284 1.00 2.04 C ATOM 559 CZ PHE A 69 12.880 2.788 1.953 1.00 1.46 C ATOM 0 H PHE A 69 12.046 -2.114 3.854 1.00 1.39 H new ATOM 0 HA PHE A 69 10.289 -0.210 4.859 1.00 1.20 H new ATOM 0 HB2 PHE A 69 10.835 -1.593 2.195 1.00 1.80 H new ATOM 0 HB3 PHE A 69 9.475 -0.491 2.290 1.00 1.80 H new ATOM 0 HD1 PHE A 69 12.979 -0.106 3.771 1.00 2.18 H new ATOM 0 HD2 PHE A 69 10.043 1.217 0.932 1.00 1.93 H new ATOM 0 HE1 PHE A 69 14.311 1.944 3.333 1.00 2.36 H new ATOM 0 HE2 PHE A 69 11.276 3.338 0.611 1.00 2.04 H new ATOM 0 HZ PHE A 69 13.445 3.693 1.788 1.00 1.46 H new ATOM 569 N SER A 70 8.694 -2.986 4.350 1.00 1.14 N ATOM 570 CA SER A 70 7.397 -3.676 4.463 1.00 1.07 C ATOM 571 C SER A 70 6.752 -3.471 5.842 1.00 0.87 C ATOM 572 O SER A 70 5.530 -3.433 5.957 1.00 0.79 O ATOM 573 CB SER A 70 7.612 -5.158 4.114 1.00 1.26 C ATOM 574 OG SER A 70 6.525 -6.028 4.332 1.00 2.95 O ATOM 0 H SER A 70 9.477 -3.628 4.227 1.00 1.14 H new ATOM 0 HA SER A 70 6.685 -3.246 3.758 1.00 1.07 H new ATOM 0 HB2 SER A 70 7.892 -5.222 3.063 1.00 1.26 H new ATOM 0 HB3 SER A 70 8.460 -5.523 4.693 1.00 1.26 H new ATOM 0 HG SER A 70 6.716 -6.604 5.102 1.00 2.95 H new ATOM 580 N ASN A 71 7.552 -3.226 6.886 1.00 0.84 N ATOM 581 CA ASN A 71 7.033 -2.871 8.208 1.00 0.72 C ATOM 582 C ASN A 71 6.697 -1.384 8.340 1.00 0.66 C ATOM 583 O ASN A 71 5.735 -1.037 9.015 1.00 0.57 O ATOM 584 CB ASN A 71 8.080 -3.267 9.250 1.00 0.83 C ATOM 585 CG ASN A 71 7.455 -3.478 10.614 1.00 1.74 C ATOM 586 OD1 ASN A 71 6.712 -4.424 10.817 1.00 3.00 O ATOM 587 ND2 ASN A 71 7.711 -2.630 11.577 1.00 2.08 N ATOM 0 H ASN A 71 8.570 -3.268 6.837 1.00 0.84 H new ATOM 0 HA ASN A 71 6.097 -3.408 8.363 1.00 0.72 H new ATOM 0 HB2 ASN A 71 8.582 -4.181 8.933 1.00 0.83 H new ATOM 0 HB3 ASN A 71 8.842 -2.491 9.314 1.00 0.83 H new ATOM 0 HD21 ASN A 71 7.289 -2.760 12.497 1.00 2.08 H new ATOM 0 HD22 ASN A 71 8.332 -1.839 11.408 1.00 2.08 H new ATOM 594 N ALA A 72 7.454 -0.511 7.671 1.00 0.73 N ATOM 595 CA ALA A 72 7.265 0.943 7.739 1.00 0.72 C ATOM 596 C ALA A 72 5.852 1.363 7.327 1.00 0.55 C ATOM 597 O ALA A 72 5.214 2.181 7.997 1.00 0.56 O ATOM 598 CB ALA A 72 8.342 1.634 6.890 1.00 0.86 C ATOM 0 H ALA A 72 8.222 -0.794 7.062 1.00 0.73 H new ATOM 0 HA ALA A 72 7.376 1.261 8.776 1.00 0.72 H new ATOM 0 HB1 ALA A 72 8.205 2.714 6.938 1.00 0.86 H new ATOM 0 HB2 ALA A 72 9.329 1.376 7.274 1.00 0.86 H new ATOM 0 HB3 ALA A 72 8.257 1.303 5.855 1.00 0.86 H new ATOM 604 N VAL A 73 5.324 0.737 6.277 1.00 0.48 N ATOM 605 CA VAL A 73 3.977 0.951 5.789 1.00 0.39 C ATOM 606 C VAL A 73 2.899 0.318 6.666 1.00 0.36 C ATOM 607 O VAL A 73 1.831 0.898 6.851 1.00 0.34 O ATOM 608 CB VAL A 73 3.897 0.449 4.344 1.00 0.45 C ATOM 609 CG1 VAL A 73 4.695 1.364 3.411 1.00 0.51 C ATOM 610 CG2 VAL A 73 4.418 -0.956 4.119 1.00 0.54 C ATOM 0 H VAL A 73 5.842 0.048 5.732 1.00 0.48 H new ATOM 0 HA VAL A 73 3.771 2.021 5.828 1.00 0.39 H new ATOM 0 HB VAL A 73 2.829 0.451 4.128 1.00 0.45 H new ATOM 0 HG11 VAL A 73 4.626 0.991 2.389 1.00 0.51 H new ATOM 0 HG12 VAL A 73 4.288 2.374 3.457 1.00 0.51 H new ATOM 0 HG13 VAL A 73 5.740 1.379 3.722 1.00 0.51 H new ATOM 0 HG21 VAL A 73 4.317 -1.217 3.065 1.00 0.54 H new ATOM 0 HG22 VAL A 73 5.468 -1.005 4.406 1.00 0.54 H new ATOM 0 HG23 VAL A 73 3.844 -1.658 4.723 1.00 0.54 H new ATOM 620 N VAL A 74 3.186 -0.843 7.257 1.00 0.39 N ATOM 621 CA VAL A 74 2.250 -1.584 8.119 1.00 0.39 C ATOM 622 C VAL A 74 2.124 -0.947 9.505 1.00 0.38 C ATOM 623 O VAL A 74 1.015 -0.870 10.028 1.00 0.37 O ATOM 624 CB VAL A 74 2.625 -3.075 8.142 1.00 0.47 C ATOM 625 CG1 VAL A 74 1.844 -3.890 9.178 1.00 0.50 C ATOM 626 CG2 VAL A 74 2.335 -3.655 6.747 1.00 0.54 C ATOM 0 H VAL A 74 4.089 -1.306 7.151 1.00 0.39 H new ATOM 0 HA VAL A 74 1.247 -1.521 7.697 1.00 0.39 H new ATOM 0 HB VAL A 74 3.678 -3.143 8.416 1.00 0.47 H new ATOM 0 HG11 VAL A 74 2.162 -4.932 9.136 1.00 0.50 H new ATOM 0 HG12 VAL A 74 2.036 -3.492 10.174 1.00 0.50 H new ATOM 0 HG13 VAL A 74 0.778 -3.827 8.962 1.00 0.50 H new ATOM 0 HG21 VAL A 74 2.592 -4.714 6.733 1.00 0.54 H new ATOM 0 HG22 VAL A 74 1.277 -3.535 6.516 1.00 0.54 H new ATOM 0 HG23 VAL A 74 2.931 -3.127 6.002 1.00 0.54 H new ATOM 636 N GLN A 75 3.209 -0.372 10.036 1.00 0.40 N ATOM 637 CA GLN A 75 3.192 0.558 11.170 1.00 0.40 C ATOM 638 C GLN A 75 2.283 1.759 10.880 1.00 0.36 C ATOM 639 O GLN A 75 1.374 2.025 11.658 1.00 0.37 O ATOM 640 CB GLN A 75 4.626 0.998 11.514 1.00 0.51 C ATOM 641 CG GLN A 75 5.357 -0.042 12.388 1.00 0.53 C ATOM 642 CD GLN A 75 4.880 -0.070 13.844 1.00 1.02 C ATOM 643 OE1 GLN A 75 4.365 0.904 14.384 1.00 2.19 O ATOM 644 NE2 GLN A 75 5.056 -1.159 14.554 1.00 0.90 N ATOM 0 H GLN A 75 4.148 -0.546 9.679 1.00 0.40 H new ATOM 0 HA GLN A 75 2.779 0.046 12.039 1.00 0.40 H new ATOM 0 HB2 GLN A 75 5.187 1.156 10.593 1.00 0.51 H new ATOM 0 HB3 GLN A 75 4.596 1.954 12.037 1.00 0.51 H new ATOM 0 HG2 GLN A 75 5.219 -1.031 11.951 1.00 0.53 H new ATOM 0 HG3 GLN A 75 6.426 0.169 12.370 1.00 0.53 H new ATOM 0 HE21 GLN A 75 5.482 -1.982 14.128 1.00 0.90 H new ATOM 0 HE22 GLN A 75 4.767 -1.183 15.532 1.00 0.90 H new ATOM 653 N ILE A 76 2.438 2.440 9.739 1.00 0.35 N ATOM 654 CA ILE A 76 1.570 3.582 9.388 1.00 0.36 C ATOM 655 C ILE A 76 0.091 3.166 9.321 1.00 0.32 C ATOM 656 O ILE A 76 -0.763 3.856 9.878 1.00 0.31 O ATOM 657 CB ILE A 76 2.077 4.246 8.086 1.00 0.42 C ATOM 658 CG1 ILE A 76 3.368 5.023 8.418 1.00 0.45 C ATOM 659 CG2 ILE A 76 1.032 5.178 7.442 1.00 0.50 C ATOM 660 CD1 ILE A 76 4.120 5.514 7.182 1.00 0.51 C ATOM 0 H ILE A 76 3.151 2.226 9.042 1.00 0.35 H new ATOM 0 HA ILE A 76 1.626 4.331 10.178 1.00 0.36 H new ATOM 0 HB ILE A 76 2.271 3.465 7.351 1.00 0.42 H new ATOM 0 HG12 ILE A 76 3.116 5.879 9.044 1.00 0.45 H new ATOM 0 HG13 ILE A 76 4.027 4.383 9.004 1.00 0.45 H new ATOM 0 HG21 ILE A 76 1.445 5.614 6.533 1.00 0.50 H new ATOM 0 HG22 ILE A 76 0.137 4.606 7.196 1.00 0.50 H new ATOM 0 HG23 ILE A 76 0.774 5.973 8.141 1.00 0.50 H new ATOM 0 HD11 ILE A 76 5.016 6.051 7.491 1.00 0.51 H new ATOM 0 HD12 ILE A 76 4.403 4.661 6.565 1.00 0.51 H new ATOM 0 HD13 ILE A 76 3.478 6.181 6.606 1.00 0.51 H new ATOM 672 N LEU A 77 -0.210 2.018 8.708 1.00 0.32 N ATOM 673 CA LEU A 77 -1.571 1.471 8.638 1.00 0.31 C ATOM 674 C LEU A 77 -2.162 1.177 10.028 1.00 0.31 C ATOM 675 O LEU A 77 -3.163 1.798 10.399 1.00 0.32 O ATOM 676 CB LEU A 77 -1.582 0.242 7.712 1.00 0.36 C ATOM 677 CG LEU A 77 -1.483 0.619 6.222 1.00 0.40 C ATOM 678 CD1 LEU A 77 -1.108 -0.602 5.385 1.00 0.47 C ATOM 679 CD2 LEU A 77 -2.819 1.160 5.701 1.00 0.45 C ATOM 0 H LEU A 77 0.487 1.437 8.243 1.00 0.32 H new ATOM 0 HA LEU A 77 -2.228 2.228 8.210 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -0.750 -0.412 7.973 1.00 0.36 H new ATOM 0 HB3 LEU A 77 -2.498 -0.325 7.879 1.00 0.36 H new ATOM 0 HG LEU A 77 -0.715 1.388 6.134 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -1.043 -0.317 4.335 1.00 0.47 H new ATOM 0 HD12 LEU A 77 -0.144 -0.989 5.717 1.00 0.47 H new ATOM 0 HD13 LEU A 77 -1.869 -1.373 5.505 1.00 0.47 H new ATOM 0 HD21 LEU A 77 -2.721 1.418 4.647 1.00 0.45 H new ATOM 0 HD22 LEU A 77 -3.590 0.399 5.818 1.00 0.45 H new ATOM 0 HD23 LEU A 77 -3.098 2.048 6.268 1.00 0.45 H new ATOM 691 N ARG A 78 -1.539 0.313 10.842 1.00 0.35 N ATOM 692 CA ARG A 78 -1.989 -0.007 12.194 1.00 0.39 C ATOM 693 C ARG A 78 -2.054 1.193 13.153 1.00 0.39 C ATOM 694 O ARG A 78 -2.961 1.229 13.989 1.00 0.44 O ATOM 695 CB ARG A 78 -1.120 -1.163 12.710 1.00 0.46 C ATOM 696 CG ARG A 78 0.246 -0.748 13.286 1.00 0.56 C ATOM 697 CD ARG A 78 1.079 -1.934 13.785 1.00 0.74 C ATOM 698 NE ARG A 78 0.571 -2.438 15.071 1.00 1.60 N ATOM 699 CZ ARG A 78 1.070 -3.414 15.799 1.00 2.29 C ATOM 700 NH1 ARG A 78 2.096 -4.132 15.453 1.00 2.80 N ATOM 701 NH2 ARG A 78 0.517 -3.698 16.934 1.00 3.43 N ATOM 0 H ARG A 78 -0.694 -0.189 10.570 1.00 0.35 H new ATOM 0 HA ARG A 78 -3.033 -0.317 12.151 1.00 0.39 H new ATOM 0 HB2 ARG A 78 -1.675 -1.697 13.481 1.00 0.46 H new ATOM 0 HB3 ARG A 78 -0.954 -1.865 11.893 1.00 0.46 H new ATOM 0 HG2 ARG A 78 0.809 -0.214 12.520 1.00 0.56 H new ATOM 0 HG3 ARG A 78 0.089 -0.051 14.109 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.058 -2.733 13.044 1.00 0.74 H new ATOM 0 HD3 ARG A 78 2.120 -1.630 13.896 1.00 0.74 H new ATOM 0 HE ARG A 78 -0.262 -1.979 15.440 1.00 1.60 H new ATOM 0 HH11 ARG A 78 2.568 -3.953 14.566 1.00 2.80 H new ATOM 0 HH12 ARG A 78 2.430 -4.874 16.068 1.00 2.80 H new ATOM 0 HH21 ARG A 78 -0.294 -3.168 17.253 1.00 3.43 H new ATOM 0 HH22 ARG A 78 0.892 -4.452 17.510 1.00 3.43 H new ATOM 715 N LEU A 79 -1.186 2.205 13.009 1.00 0.37 N ATOM 716 CA LEU A 79 -1.258 3.476 13.739 1.00 0.40 C ATOM 717 C LEU A 79 -2.521 4.262 13.365 1.00 0.39 C ATOM 718 O LEU A 79 -3.208 4.780 14.245 1.00 0.43 O ATOM 719 CB LEU A 79 -0.015 4.318 13.408 1.00 0.41 C ATOM 720 CG LEU A 79 1.298 3.899 14.094 1.00 0.43 C ATOM 721 CD1 LEU A 79 2.437 4.709 13.466 1.00 0.44 C ATOM 722 CD2 LEU A 79 1.280 4.177 15.597 1.00 0.50 C ATOM 0 H LEU A 79 -0.396 2.160 12.366 1.00 0.37 H new ATOM 0 HA LEU A 79 -1.296 3.259 14.807 1.00 0.40 H new ATOM 0 HB2 LEU A 79 0.139 4.290 12.329 1.00 0.41 H new ATOM 0 HB3 LEU A 79 -0.224 5.354 13.674 1.00 0.41 H new ATOM 0 HG LEU A 79 1.430 2.826 13.954 1.00 0.43 H new ATOM 0 HD11 LEU A 79 3.382 4.432 13.934 1.00 0.44 H new ATOM 0 HD12 LEU A 79 2.486 4.499 12.397 1.00 0.44 H new ATOM 0 HD13 LEU A 79 2.254 5.773 13.619 1.00 0.44 H new ATOM 0 HD21 LEU A 79 2.227 3.865 16.036 1.00 0.50 H new ATOM 0 HD22 LEU A 79 1.135 5.244 15.768 1.00 0.50 H new ATOM 0 HD23 LEU A 79 0.465 3.621 16.060 1.00 0.50 H new ATOM 734 N HIS A 80 -2.886 4.280 12.081 1.00 0.36 N ATOM 735 CA HIS A 80 -4.164 4.807 11.597 1.00 0.34 C ATOM 736 C HIS A 80 -5.377 3.911 11.924 1.00 0.35 C ATOM 737 O HIS A 80 -6.506 4.268 11.579 1.00 0.37 O ATOM 738 CB HIS A 80 -4.043 5.108 10.094 1.00 0.31 C ATOM 739 CG HIS A 80 -3.452 6.468 9.831 1.00 0.33 C ATOM 740 ND1 HIS A 80 -4.097 7.654 10.054 1.00 0.36 N ATOM 741 CD2 HIS A 80 -2.203 6.777 9.364 1.00 0.35 C ATOM 742 CE1 HIS A 80 -3.288 8.658 9.714 1.00 0.39 C ATOM 743 NE2 HIS A 80 -2.109 8.177 9.273 1.00 0.39 N ATOM 0 H HIS A 80 -2.290 3.922 11.335 1.00 0.36 H new ATOM 0 HA HIS A 80 -4.369 5.731 12.137 1.00 0.34 H new ATOM 0 HB2 HIS A 80 -3.422 4.347 9.622 1.00 0.31 H new ATOM 0 HB3 HIS A 80 -5.029 5.047 9.633 1.00 0.31 H new ATOM 0 HD2 HIS A 80 -1.427 6.070 9.110 1.00 0.35 H new ATOM 0 HE1 HIS A 80 -3.541 9.706 9.782 1.00 0.39 H new ATOM 0 HE2 HIS A 80 -1.311 8.718 8.941 1.00 0.39 H new ATOM 751 N GLY A 81 -5.190 2.783 12.616 1.00 0.37 N ATOM 752 CA GLY A 81 -6.263 1.856 12.989 1.00 0.44 C ATOM 753 C GLY A 81 -6.550 0.764 11.948 1.00 0.45 C ATOM 754 O GLY A 81 -7.498 -0.004 12.118 1.00 0.60 O ATOM 0 H GLY A 81 -4.270 2.483 12.939 1.00 0.37 H new ATOM 0 HA2 GLY A 81 -6.003 1.380 13.934 1.00 0.44 H new ATOM 0 HA3 GLY A 81 -7.176 2.426 13.160 1.00 0.44 H new ATOM 758 N VAL A 82 -5.760 0.691 10.870 1.00 0.37 N ATOM 759 CA VAL A 82 -6.040 -0.133 9.687 1.00 0.36 C ATOM 760 C VAL A 82 -5.251 -1.443 9.702 1.00 0.37 C ATOM 761 O VAL A 82 -4.022 -1.450 9.690 1.00 0.43 O ATOM 762 CB VAL A 82 -5.815 0.651 8.378 1.00 0.35 C ATOM 763 CG1 VAL A 82 -6.297 -0.153 7.163 1.00 0.38 C ATOM 764 CG2 VAL A 82 -6.574 1.989 8.372 1.00 0.40 C ATOM 0 H VAL A 82 -4.888 1.215 10.794 1.00 0.37 H new ATOM 0 HA VAL A 82 -7.097 -0.397 9.728 1.00 0.36 H new ATOM 0 HB VAL A 82 -4.742 0.834 8.318 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -6.126 0.424 6.254 1.00 0.38 H new ATOM 0 HG12 VAL A 82 -5.746 -1.092 7.106 1.00 0.38 H new ATOM 0 HG13 VAL A 82 -7.362 -0.363 7.265 1.00 0.38 H new ATOM 0 HG21 VAL A 82 -6.388 2.509 7.432 1.00 0.40 H new ATOM 0 HG22 VAL A 82 -7.643 1.802 8.478 1.00 0.40 H new ATOM 0 HG23 VAL A 82 -6.230 2.606 9.202 1.00 0.40 H new ATOM 774 N ARG A 83 -5.982 -2.560 9.666 1.00 0.38 N ATOM 775 CA ARG A 83 -5.513 -3.943 9.620 1.00 0.48 C ATOM 776 C ARG A 83 -6.182 -4.773 8.523 1.00 0.51 C ATOM 777 O ARG A 83 -5.649 -5.784 8.072 1.00 0.59 O ATOM 778 CB ARG A 83 -5.674 -4.554 10.999 1.00 0.69 C ATOM 779 CG ARG A 83 -7.119 -4.780 11.438 1.00 1.00 C ATOM 780 CD ARG A 83 -7.022 -5.402 12.823 1.00 1.72 C ATOM 781 NE ARG A 83 -8.308 -5.965 13.267 1.00 2.18 N ATOM 782 CZ ARG A 83 -9.216 -5.406 14.046 1.00 2.98 C ATOM 783 NH1 ARG A 83 -9.138 -4.196 14.515 1.00 3.99 N ATOM 784 NH2 ARG A 83 -10.274 -6.074 14.384 1.00 3.55 N ATOM 0 H ARG A 83 -7.001 -2.514 9.669 1.00 0.38 H new ATOM 0 HA ARG A 83 -4.458 -3.944 9.347 1.00 0.48 H new ATOM 0 HB2 ARG A 83 -5.150 -5.509 11.021 1.00 0.69 H new ATOM 0 HB3 ARG A 83 -5.186 -3.906 11.727 1.00 0.69 H new ATOM 0 HG2 ARG A 83 -7.674 -3.842 11.465 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -7.642 -5.440 10.746 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -6.266 -6.187 12.815 1.00 1.72 H new ATOM 0 HD3 ARG A 83 -6.691 -4.648 13.537 1.00 1.72 H new ATOM 0 HE ARG A 83 -8.524 -6.903 12.931 1.00 2.18 H new ATOM 0 HH11 ARG A 83 -8.335 -3.611 14.286 1.00 3.99 H new ATOM 0 HH12 ARG A 83 -9.880 -3.832 15.112 1.00 3.99 H new ATOM 0 HH21 ARG A 83 -10.403 -7.029 14.048 1.00 3.55 H new ATOM 0 HH22 ARG A 83 -10.977 -5.645 14.986 1.00 3.55 H new ATOM 798 N ASP A 84 -7.334 -4.293 8.067 1.00 0.65 N ATOM 799 CA ASP A 84 -8.251 -4.892 7.094 1.00 0.72 C ATOM 800 C ASP A 84 -7.838 -4.637 5.626 1.00 0.66 C ATOM 801 O ASP A 84 -8.687 -4.612 4.726 1.00 0.74 O ATOM 802 CB ASP A 84 -9.678 -4.420 7.436 1.00 0.95 C ATOM 803 CG ASP A 84 -10.810 -5.281 6.873 1.00 2.21 C ATOM 804 OD1 ASP A 84 -10.650 -6.519 6.757 1.00 3.35 O ATOM 805 OD2 ASP A 84 -11.904 -4.716 6.617 1.00 3.16 O ATOM 0 H ASP A 84 -7.685 -3.394 8.397 1.00 0.65 H new ATOM 0 HA ASP A 84 -8.211 -5.978 7.172 1.00 0.72 H new ATOM 0 HB2 ASP A 84 -9.779 -4.382 8.521 1.00 0.95 H new ATOM 0 HB3 ASP A 84 -9.803 -3.401 7.068 1.00 0.95 H new ATOM 810 N TYR A 85 -6.532 -4.449 5.376 1.00 0.58 N ATOM 811 CA TYR A 85 -5.951 -4.545 4.041 1.00 0.57 C ATOM 812 C TYR A 85 -5.935 -6.005 3.549 1.00 0.65 C ATOM 813 O TYR A 85 -6.183 -6.958 4.291 1.00 0.87 O ATOM 814 CB TYR A 85 -4.497 -3.979 4.008 1.00 0.56 C ATOM 815 CG TYR A 85 -3.583 -4.386 5.143 1.00 0.54 C ATOM 816 CD1 TYR A 85 -2.852 -5.573 4.987 1.00 1.90 C ATOM 817 CD2 TYR A 85 -3.451 -3.620 6.326 1.00 1.94 C ATOM 818 CE1 TYR A 85 -2.061 -6.056 6.044 1.00 1.90 C ATOM 819 CE2 TYR A 85 -2.649 -4.099 7.382 1.00 1.93 C ATOM 820 CZ TYR A 85 -1.976 -5.333 7.252 1.00 0.45 C ATOM 821 OH TYR A 85 -1.254 -5.838 8.283 1.00 0.46 O ATOM 0 H TYR A 85 -5.852 -4.225 6.103 1.00 0.58 H new ATOM 0 HA TYR A 85 -6.578 -3.947 3.379 1.00 0.57 H new ATOM 0 HB2 TYR A 85 -4.033 -4.287 3.071 1.00 0.56 H new ATOM 0 HB3 TYR A 85 -4.556 -2.891 3.992 1.00 0.56 H new ATOM 0 HD1 TYR A 85 -2.897 -6.116 4.055 1.00 1.90 H new ATOM 0 HD2 TYR A 85 -3.962 -2.673 6.419 1.00 1.94 H new ATOM 0 HE1 TYR A 85 -1.517 -6.982 5.931 1.00 1.90 H new ATOM 0 HE2 TYR A 85 -2.550 -3.522 8.290 1.00 1.93 H new ATOM 0 HH TYR A 85 -1.293 -5.221 9.043 1.00 0.46 H new ATOM 831 N ALA A 86 -5.617 -6.171 2.268 1.00 0.57 N ATOM 832 CA ALA A 86 -5.003 -7.374 1.722 1.00 0.57 C ATOM 833 C ALA A 86 -3.550 -7.037 1.361 1.00 0.54 C ATOM 834 O ALA A 86 -3.311 -6.151 0.541 1.00 0.59 O ATOM 835 CB ALA A 86 -5.831 -7.842 0.523 1.00 0.64 C ATOM 0 H ALA A 86 -5.784 -5.452 1.564 1.00 0.57 H new ATOM 0 HA ALA A 86 -4.986 -8.196 2.438 1.00 0.57 H new ATOM 0 HB1 ALA A 86 -5.385 -8.743 0.102 1.00 0.64 H new ATOM 0 HB2 ALA A 86 -6.849 -8.059 0.846 1.00 0.64 H new ATOM 0 HB3 ALA A 86 -5.850 -7.058 -0.234 1.00 0.64 H new ATOM 841 N ALA A 87 -2.582 -7.685 2.016 1.00 0.49 N ATOM 842 CA ALA A 87 -1.160 -7.466 1.778 1.00 0.49 C ATOM 843 C ALA A 87 -0.643 -8.514 0.753 1.00 0.55 C ATOM 844 O ALA A 87 -0.712 -9.719 1.017 1.00 0.80 O ATOM 845 CB ALA A 87 -0.375 -7.574 3.096 1.00 0.44 C ATOM 0 H ALA A 87 -2.771 -8.384 2.734 1.00 0.49 H new ATOM 0 HA ALA A 87 -1.012 -6.464 1.374 1.00 0.49 H new ATOM 0 HB1 ALA A 87 0.685 -7.408 2.903 1.00 0.44 H new ATOM 0 HB2 ALA A 87 -0.738 -6.823 3.798 1.00 0.44 H new ATOM 0 HB3 ALA A 87 -0.515 -8.567 3.523 1.00 0.44 H new ATOM 851 N TYR A 88 -0.118 -8.074 -0.389 1.00 0.42 N ATOM 852 CA TYR A 88 0.444 -8.877 -1.482 1.00 0.47 C ATOM 853 C TYR A 88 1.959 -9.045 -1.360 1.00 0.46 C ATOM 854 O TYR A 88 2.710 -8.064 -1.375 1.00 0.49 O ATOM 855 CB TYR A 88 0.094 -8.236 -2.838 1.00 0.49 C ATOM 856 CG TYR A 88 -1.330 -8.486 -3.302 1.00 0.55 C ATOM 857 CD1 TYR A 88 -2.429 -7.968 -2.583 1.00 1.81 C ATOM 858 CD2 TYR A 88 -1.557 -9.250 -4.462 1.00 1.90 C ATOM 859 CE1 TYR A 88 -3.746 -8.259 -2.988 1.00 1.82 C ATOM 860 CE2 TYR A 88 -2.870 -9.534 -4.871 1.00 1.99 C ATOM 861 CZ TYR A 88 -3.968 -9.052 -4.134 1.00 0.84 C ATOM 862 OH TYR A 88 -5.223 -9.381 -4.528 1.00 1.02 O ATOM 0 H TYR A 88 -0.069 -7.076 -0.593 1.00 0.42 H new ATOM 0 HA TYR A 88 0.001 -9.871 -1.417 1.00 0.47 H new ATOM 0 HB2 TYR A 88 0.257 -7.160 -2.770 1.00 0.49 H new ATOM 0 HB3 TYR A 88 0.781 -8.616 -3.594 1.00 0.49 H new ATOM 0 HD1 TYR A 88 -2.259 -7.345 -1.717 1.00 1.81 H new ATOM 0 HD2 TYR A 88 -0.721 -9.618 -5.038 1.00 1.90 H new ATOM 0 HE1 TYR A 88 -4.583 -7.877 -2.423 1.00 1.82 H new ATOM 0 HE2 TYR A 88 -3.039 -10.127 -5.758 1.00 1.99 H new ATOM 0 HH TYR A 88 -5.178 -9.931 -5.338 1.00 1.02 H new ATOM 872 N ASN A 89 2.397 -10.307 -1.317 1.00 0.47 N ATOM 873 CA ASN A 89 3.772 -10.736 -1.319 1.00 0.49 C ATOM 874 C ASN A 89 4.329 -10.868 -2.742 1.00 0.46 C ATOM 875 O ASN A 89 4.110 -11.879 -3.417 1.00 0.51 O ATOM 876 CB ASN A 89 3.797 -12.082 -0.579 1.00 0.59 C ATOM 877 CG ASN A 89 5.209 -12.549 -0.357 1.00 1.12 C ATOM 878 OD1 ASN A 89 5.720 -13.469 -0.981 1.00 2.24 O ATOM 879 ND2 ASN A 89 5.880 -11.853 0.515 1.00 1.03 N ATOM 0 H ASN A 89 1.749 -11.094 -1.278 1.00 0.47 H new ATOM 0 HA ASN A 89 4.409 -10.001 -0.827 1.00 0.49 H new ATOM 0 HB2 ASN A 89 3.288 -11.983 0.380 1.00 0.59 H new ATOM 0 HB3 ASN A 89 3.250 -12.828 -1.155 1.00 0.59 H new ATOM 0 HD21 ASN A 89 6.861 -12.069 0.694 1.00 1.03 H new ATOM 0 HD22 ASN A 89 5.425 -11.092 1.019 1.00 1.03 H new ATOM 886 N VAL A 90 5.087 -9.868 -3.194 1.00 0.44 N ATOM 887 CA VAL A 90 5.654 -9.880 -4.562 1.00 0.49 C ATOM 888 C VAL A 90 6.983 -10.651 -4.698 1.00 0.59 C ATOM 889 O VAL A 90 7.610 -10.607 -5.751 1.00 0.84 O ATOM 890 CB VAL A 90 5.682 -8.483 -5.210 1.00 0.52 C ATOM 891 CG1 VAL A 90 4.324 -7.787 -5.044 1.00 0.62 C ATOM 892 CG2 VAL A 90 6.762 -7.571 -4.632 1.00 0.56 C ATOM 0 H VAL A 90 5.327 -9.042 -2.646 1.00 0.44 H new ATOM 0 HA VAL A 90 4.950 -10.469 -5.150 1.00 0.49 H new ATOM 0 HB VAL A 90 5.909 -8.650 -6.263 1.00 0.52 H new ATOM 0 HG11 VAL A 90 4.361 -6.801 -5.508 1.00 0.62 H new ATOM 0 HG12 VAL A 90 3.548 -8.384 -5.523 1.00 0.62 H new ATOM 0 HG13 VAL A 90 4.097 -7.681 -3.983 1.00 0.62 H new ATOM 0 HG21 VAL A 90 6.727 -6.603 -5.132 1.00 0.56 H new ATOM 0 HG22 VAL A 90 6.590 -7.434 -3.564 1.00 0.56 H new ATOM 0 HG23 VAL A 90 7.741 -8.024 -4.786 1.00 0.56 H new ATOM 902 N LEU A 91 7.417 -11.380 -3.657 1.00 0.57 N ATOM 903 CA LEU A 91 8.553 -12.318 -3.741 1.00 0.70 C ATOM 904 C LEU A 91 8.175 -13.644 -4.398 1.00 0.70 C ATOM 905 O LEU A 91 8.968 -14.190 -5.166 1.00 0.85 O ATOM 906 CB LEU A 91 9.111 -12.637 -2.343 1.00 0.82 C ATOM 907 CG LEU A 91 9.934 -11.515 -1.718 1.00 0.95 C ATOM 908 CD1 LEU A 91 10.277 -11.881 -0.276 1.00 1.00 C ATOM 909 CD2 LEU A 91 11.242 -11.241 -2.468 1.00 1.38 C ATOM 0 H LEU A 91 6.991 -11.337 -2.731 1.00 0.57 H new ATOM 0 HA LEU A 91 9.302 -11.815 -4.353 1.00 0.70 H new ATOM 0 HB2 LEU A 91 8.279 -12.873 -1.679 1.00 0.82 H new ATOM 0 HB3 LEU A 91 9.731 -13.531 -2.409 1.00 0.82 H new ATOM 0 HG LEU A 91 9.324 -10.613 -1.769 1.00 0.95 H new ATOM 0 HD11 LEU A 91 10.865 -11.080 0.173 1.00 1.00 H new ATOM 0 HD12 LEU A 91 9.358 -12.018 0.293 1.00 1.00 H new ATOM 0 HD13 LEU A 91 10.853 -12.806 -0.263 1.00 1.00 H new ATOM 0 HD21 LEU A 91 11.782 -10.433 -1.975 1.00 1.38 H new ATOM 0 HD22 LEU A 91 11.857 -12.141 -2.468 1.00 1.38 H new ATOM 0 HD23 LEU A 91 11.019 -10.954 -3.496 1.00 1.38 H new ATOM 921 N ASP A 92 6.990 -14.165 -4.070 1.00 0.79 N ATOM 922 CA ASP A 92 6.524 -15.487 -4.529 1.00 0.95 C ATOM 923 C ASP A 92 6.216 -15.495 -6.039 1.00 0.83 C ATOM 924 O ASP A 92 6.457 -16.485 -6.735 1.00 1.00 O ATOM 925 CB ASP A 92 5.286 -15.903 -3.722 1.00 1.23 C ATOM 926 CG ASP A 92 5.250 -17.396 -3.378 1.00 1.70 C ATOM 927 OD1 ASP A 92 5.834 -17.764 -2.329 1.00 2.85 O ATOM 928 OD2 ASP A 92 4.580 -18.177 -4.097 1.00 2.17 O ATOM 0 H ASP A 92 6.318 -13.682 -3.474 1.00 0.79 H new ATOM 0 HA ASP A 92 7.325 -16.207 -4.363 1.00 0.95 H new ATOM 0 HB2 ASP A 92 5.254 -15.325 -2.798 1.00 1.23 H new ATOM 0 HB3 ASP A 92 4.391 -15.648 -4.289 1.00 1.23 H new ATOM 933 N ASP A 93 5.715 -14.361 -6.539 1.00 0.71 N ATOM 934 CA ASP A 93 5.188 -14.157 -7.880 1.00 0.67 C ATOM 935 C ASP A 93 6.033 -13.136 -8.680 1.00 0.66 C ATOM 936 O ASP A 93 5.828 -11.923 -8.545 1.00 0.57 O ATOM 937 CB ASP A 93 3.742 -13.665 -7.733 1.00 0.92 C ATOM 938 CG ASP A 93 2.761 -14.751 -7.293 1.00 1.13 C ATOM 939 OD1 ASP A 93 2.563 -15.707 -8.081 1.00 1.57 O ATOM 940 OD2 ASP A 93 2.151 -14.623 -6.204 1.00 2.18 O ATOM 0 H ASP A 93 5.666 -13.511 -5.977 1.00 0.71 H new ATOM 0 HA ASP A 93 5.226 -15.093 -8.438 1.00 0.67 H new ATOM 0 HB2 ASP A 93 3.717 -12.851 -7.008 1.00 0.92 H new ATOM 0 HB3 ASP A 93 3.410 -13.253 -8.686 1.00 0.92 H new ATOM 945 N PRO A 94 6.936 -13.577 -9.581 1.00 0.80 N ATOM 946 CA PRO A 94 7.702 -12.666 -10.438 1.00 0.82 C ATOM 947 C PRO A 94 6.817 -11.908 -11.446 1.00 0.72 C ATOM 948 O PRO A 94 7.193 -10.850 -11.953 1.00 0.67 O ATOM 949 CB PRO A 94 8.731 -13.558 -11.125 1.00 1.05 C ATOM 950 CG PRO A 94 8.042 -14.915 -11.214 1.00 1.11 C ATOM 951 CD PRO A 94 7.260 -14.963 -9.902 1.00 0.98 C ATOM 0 HA PRO A 94 8.172 -11.871 -9.859 1.00 0.82 H new ATOM 0 HB2 PRO A 94 8.993 -13.178 -12.112 1.00 1.05 H new ATOM 0 HB3 PRO A 94 9.655 -13.617 -10.550 1.00 1.05 H new ATOM 0 HG2 PRO A 94 7.386 -14.983 -12.082 1.00 1.11 H new ATOM 0 HG3 PRO A 94 8.759 -15.732 -11.291 1.00 1.11 H new ATOM 0 HD2 PRO A 94 6.355 -15.562 -10.008 1.00 0.98 H new ATOM 0 HD3 PRO A 94 7.853 -15.419 -9.110 1.00 0.98 H new ATOM 959 N GLU A 95 5.611 -12.422 -11.691 1.00 0.73 N ATOM 960 CA GLU A 95 4.490 -11.755 -12.334 1.00 0.70 C ATOM 961 C GLU A 95 4.087 -10.465 -11.617 1.00 0.65 C ATOM 962 O GLU A 95 4.050 -9.397 -12.233 1.00 0.71 O ATOM 963 CB GLU A 95 3.318 -12.723 -12.278 1.00 0.86 C ATOM 964 CG GLU A 95 3.492 -13.936 -13.196 1.00 0.87 C ATOM 965 CD GLU A 95 3.390 -13.591 -14.687 1.00 1.79 C ATOM 966 OE1 GLU A 95 2.354 -13.029 -15.124 1.00 3.12 O ATOM 967 OE2 GLU A 95 4.317 -13.947 -15.453 1.00 2.68 O ATOM 0 H GLU A 95 5.381 -13.380 -11.426 1.00 0.73 H new ATOM 0 HA GLU A 95 4.772 -11.485 -13.351 1.00 0.70 H new ATOM 0 HB2 GLU A 95 3.189 -13.068 -11.252 1.00 0.86 H new ATOM 0 HB3 GLU A 95 2.405 -12.195 -12.554 1.00 0.86 H new ATOM 0 HG2 GLU A 95 4.462 -14.393 -13.002 1.00 0.87 H new ATOM 0 HG3 GLU A 95 2.734 -14.680 -12.950 1.00 0.87 H new ATOM 974 N LEU A 96 3.838 -10.564 -10.305 1.00 0.57 N ATOM 975 CA LEU A 96 3.493 -9.420 -9.458 1.00 0.50 C ATOM 976 C LEU A 96 4.675 -8.450 -9.374 1.00 0.48 C ATOM 977 O LEU A 96 4.488 -7.240 -9.468 1.00 0.48 O ATOM 978 CB LEU A 96 3.113 -9.842 -8.020 1.00 0.52 C ATOM 979 CG LEU A 96 1.798 -10.607 -7.796 1.00 0.49 C ATOM 980 CD1 LEU A 96 1.614 -10.859 -6.290 1.00 0.56 C ATOM 981 CD2 LEU A 96 0.588 -9.814 -8.288 1.00 0.64 C ATOM 0 H LEU A 96 3.871 -11.449 -9.799 1.00 0.57 H new ATOM 0 HA LEU A 96 2.629 -8.943 -9.920 1.00 0.50 H new ATOM 0 HB2 LEU A 96 3.924 -10.458 -7.632 1.00 0.52 H new ATOM 0 HB3 LEU A 96 3.078 -8.940 -7.409 1.00 0.52 H new ATOM 0 HG LEU A 96 1.860 -11.540 -8.356 1.00 0.49 H new ATOM 0 HD11 LEU A 96 0.683 -11.401 -6.123 1.00 0.56 H new ATOM 0 HD12 LEU A 96 2.450 -11.449 -5.915 1.00 0.56 H new ATOM 0 HD13 LEU A 96 1.578 -9.905 -5.763 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.321 -10.390 -8.111 1.00 0.64 H new ATOM 0 HD22 LEU A 96 0.529 -8.868 -7.749 1.00 0.64 H new ATOM 0 HD23 LEU A 96 0.691 -9.618 -9.355 1.00 0.64 H new ATOM 993 N ARG A 97 5.893 -8.987 -9.231 1.00 0.52 N ATOM 994 CA ARG A 97 7.147 -8.221 -9.131 1.00 0.56 C ATOM 995 C ARG A 97 7.317 -7.298 -10.338 1.00 0.57 C ATOM 996 O ARG A 97 7.406 -6.081 -10.191 1.00 0.57 O ATOM 997 CB ARG A 97 8.304 -9.225 -8.992 1.00 0.60 C ATOM 998 CG ARG A 97 9.624 -8.600 -8.525 1.00 0.69 C ATOM 999 CD ARG A 97 10.715 -9.678 -8.439 1.00 0.81 C ATOM 1000 NE ARG A 97 11.177 -10.110 -9.775 1.00 1.70 N ATOM 1001 CZ ARG A 97 11.877 -11.196 -10.061 1.00 2.20 C ATOM 1002 NH1 ARG A 97 12.124 -12.138 -9.203 1.00 1.64 N ATOM 1003 NH2 ARG A 97 12.370 -11.376 -11.248 1.00 3.52 N ATOM 0 H ARG A 97 6.040 -9.995 -9.180 1.00 0.52 H new ATOM 0 HA ARG A 97 7.133 -7.572 -8.256 1.00 0.56 H new ATOM 0 HB2 ARG A 97 8.013 -10.003 -8.286 1.00 0.60 H new ATOM 0 HB3 ARG A 97 8.465 -9.712 -9.954 1.00 0.60 H new ATOM 0 HG2 ARG A 97 9.930 -7.816 -9.218 1.00 0.69 H new ATOM 0 HG3 ARG A 97 9.489 -8.130 -7.551 1.00 0.69 H new ATOM 0 HD2 ARG A 97 11.561 -9.292 -7.871 1.00 0.81 H new ATOM 0 HD3 ARG A 97 10.331 -10.539 -7.893 1.00 0.81 H new ATOM 0 HE ARG A 97 10.930 -9.507 -10.560 1.00 1.70 H new ATOM 0 HH11 ARG A 97 11.772 -12.064 -8.249 1.00 1.64 H new ATOM 0 HH12 ARG A 97 12.670 -12.953 -9.483 1.00 1.64 H new ATOM 0 HH21 ARG A 97 12.220 -10.676 -11.974 1.00 3.52 H new ATOM 0 HH22 ARG A 97 12.908 -12.218 -11.455 1.00 3.52 H new ATOM 1017 N GLN A 98 7.251 -7.865 -11.539 1.00 0.58 N ATOM 1018 CA GLN A 98 7.303 -7.127 -12.802 1.00 0.58 C ATOM 1019 C GLN A 98 6.135 -6.155 -12.959 1.00 0.62 C ATOM 1020 O GLN A 98 6.316 -4.967 -13.242 1.00 0.71 O ATOM 1021 CB GLN A 98 7.304 -8.193 -13.905 1.00 0.62 C ATOM 1022 CG GLN A 98 7.402 -7.696 -15.353 1.00 0.94 C ATOM 1023 CD GLN A 98 7.425 -8.883 -16.313 1.00 1.57 C ATOM 1024 OE1 GLN A 98 8.418 -9.172 -16.970 1.00 2.07 O ATOM 1025 NE2 GLN A 98 6.357 -9.645 -16.405 1.00 2.60 N ATOM 0 H GLN A 98 7.158 -8.873 -11.667 1.00 0.58 H new ATOM 0 HA GLN A 98 8.193 -6.500 -12.848 1.00 0.58 H new ATOM 0 HB2 GLN A 98 8.139 -8.869 -13.722 1.00 0.62 H new ATOM 0 HB3 GLN A 98 6.391 -8.780 -13.809 1.00 0.62 H new ATOM 0 HG2 GLN A 98 6.555 -7.049 -15.582 1.00 0.94 H new ATOM 0 HG3 GLN A 98 8.304 -7.097 -15.480 1.00 0.94 H new ATOM 0 HE21 GLN A 98 5.521 -9.419 -15.865 1.00 2.60 H new ATOM 0 HE22 GLN A 98 6.364 -10.462 -17.016 1.00 2.60 H new ATOM 1034 N GLY A 99 4.933 -6.663 -12.689 1.00 0.58 N ATOM 1035 CA GLY A 99 3.699 -5.890 -12.802 1.00 0.58 C ATOM 1036 C GLY A 99 3.732 -4.606 -11.965 1.00 0.57 C ATOM 1037 O GLY A 99 3.291 -3.553 -12.433 1.00 0.62 O ATOM 0 H GLY A 99 4.788 -7.626 -12.385 1.00 0.58 H new ATOM 0 HA2 GLY A 99 3.529 -5.634 -13.848 1.00 0.58 H new ATOM 0 HA3 GLY A 99 2.858 -6.506 -12.484 1.00 0.58 H new ATOM 1041 N ILE A 100 4.309 -4.672 -10.760 1.00 0.53 N ATOM 1042 CA ILE A 100 4.338 -3.568 -9.804 1.00 0.56 C ATOM 1043 C ILE A 100 5.543 -2.646 -10.008 1.00 0.66 C ATOM 1044 O ILE A 100 5.407 -1.433 -9.839 1.00 0.76 O ATOM 1045 CB ILE A 100 4.175 -4.120 -8.386 1.00 0.49 C ATOM 1046 CG1 ILE A 100 3.337 -3.152 -7.549 1.00 0.54 C ATOM 1047 CG2 ILE A 100 5.496 -4.441 -7.666 1.00 0.57 C ATOM 1048 CD1 ILE A 100 1.870 -2.970 -7.974 1.00 0.77 C ATOM 0 H ILE A 100 4.777 -5.512 -10.419 1.00 0.53 H new ATOM 0 HA ILE A 100 3.489 -2.908 -9.982 1.00 0.56 H new ATOM 0 HB ILE A 100 3.666 -5.078 -8.494 1.00 0.49 H new ATOM 0 HG12 ILE A 100 3.352 -3.494 -6.514 1.00 0.54 H new ATOM 0 HG13 ILE A 100 3.822 -2.176 -7.569 1.00 0.54 H new ATOM 0 HG21 ILE A 100 5.283 -4.826 -6.669 1.00 0.57 H new ATOM 0 HG22 ILE A 100 6.047 -5.190 -8.234 1.00 0.57 H new ATOM 0 HG23 ILE A 100 6.095 -3.534 -7.584 1.00 0.57 H new ATOM 0 HD11 ILE A 100 1.383 -2.261 -7.305 1.00 0.77 H new ATOM 0 HD12 ILE A 100 1.831 -2.591 -8.995 1.00 0.77 H new ATOM 0 HD13 ILE A 100 1.355 -3.929 -7.924 1.00 0.77 H new ATOM 1060 N LYS A 101 6.687 -3.184 -10.462 1.00 0.64 N ATOM 1061 CA LYS A 101 7.827 -2.381 -10.939 1.00 0.71 C ATOM 1062 C LYS A 101 7.444 -1.485 -12.112 1.00 0.79 C ATOM 1063 O LYS A 101 7.889 -0.337 -12.163 1.00 0.89 O ATOM 1064 CB LYS A 101 8.995 -3.294 -11.338 1.00 0.70 C ATOM 1065 CG LYS A 101 9.698 -3.878 -10.097 1.00 0.68 C ATOM 1066 CD LYS A 101 10.693 -4.991 -10.446 1.00 0.71 C ATOM 1067 CE LYS A 101 11.940 -4.420 -11.126 1.00 1.27 C ATOM 1068 NZ LYS A 101 12.701 -5.466 -11.842 1.00 1.48 N ATOM 0 H LYS A 101 6.848 -4.190 -10.509 1.00 0.64 H new ATOM 0 HA LYS A 101 8.135 -1.737 -10.116 1.00 0.71 H new ATOM 0 HB2 LYS A 101 8.627 -4.106 -11.966 1.00 0.70 H new ATOM 0 HB3 LYS A 101 9.713 -2.730 -11.934 1.00 0.70 H new ATOM 0 HG2 LYS A 101 10.223 -3.079 -9.573 1.00 0.68 H new ATOM 0 HG3 LYS A 101 8.947 -4.270 -9.411 1.00 0.68 H new ATOM 0 HD2 LYS A 101 10.981 -5.524 -9.540 1.00 0.71 H new ATOM 0 HD3 LYS A 101 10.216 -5.717 -11.104 1.00 0.71 H new ATOM 0 HE2 LYS A 101 11.646 -3.639 -11.828 1.00 1.27 H new ATOM 0 HE3 LYS A 101 12.580 -3.952 -10.378 1.00 1.27 H new ATOM 0 HZ1 LYS A 101 13.538 -5.041 -12.290 1.00 1.48 H new ATOM 0 HZ2 LYS A 101 13.003 -6.198 -11.168 1.00 1.48 H new ATOM 0 HZ3 LYS A 101 12.098 -5.895 -12.573 1.00 1.48 H new ATOM 1082 N ASP A 102 6.583 -1.969 -13.006 1.00 0.78 N ATOM 1083 CA ASP A 102 5.994 -1.144 -14.061 1.00 0.90 C ATOM 1084 C ASP A 102 4.933 -0.161 -13.524 1.00 0.96 C ATOM 1085 O ASP A 102 5.065 1.048 -13.710 1.00 1.03 O ATOM 1086 CB ASP A 102 5.433 -2.062 -15.154 1.00 0.96 C ATOM 1087 CG ASP A 102 4.614 -1.300 -16.205 1.00 1.40 C ATOM 1088 OD1 ASP A 102 5.066 -0.244 -16.706 1.00 2.15 O ATOM 1089 OD2 ASP A 102 3.482 -1.739 -16.517 1.00 2.19 O ATOM 0 H ASP A 102 6.274 -2.941 -13.020 1.00 0.78 H new ATOM 0 HA ASP A 102 6.774 -0.514 -14.488 1.00 0.90 H new ATOM 0 HB2 ASP A 102 6.257 -2.579 -15.646 1.00 0.96 H new ATOM 0 HB3 ASP A 102 4.806 -2.826 -14.695 1.00 0.96 H new ATOM 1094 N TYR A 103 3.888 -0.636 -12.835 1.00 0.94 N ATOM 1095 CA TYR A 103 2.737 0.194 -12.444 1.00 0.98 C ATOM 1096 C TYR A 103 3.092 1.303 -11.430 1.00 1.07 C ATOM 1097 O TYR A 103 2.569 2.414 -11.521 1.00 1.20 O ATOM 1098 CB TYR A 103 1.654 -0.758 -11.922 1.00 0.87 C ATOM 1099 CG TYR A 103 0.253 -0.197 -11.779 1.00 0.82 C ATOM 1100 CD1 TYR A 103 -0.108 0.513 -10.620 1.00 2.37 C ATOM 1101 CD2 TYR A 103 -0.719 -0.501 -12.751 1.00 1.59 C ATOM 1102 CE1 TYR A 103 -1.461 0.864 -10.408 1.00 2.33 C ATOM 1103 CE2 TYR A 103 -2.076 -0.180 -12.528 1.00 1.65 C ATOM 1104 CZ TYR A 103 -2.447 0.499 -11.353 1.00 0.80 C ATOM 1105 OH TYR A 103 -3.753 0.802 -11.136 1.00 0.86 O ATOM 0 H TYR A 103 3.815 -1.607 -12.532 1.00 0.94 H new ATOM 0 HA TYR A 103 2.375 0.747 -13.311 1.00 0.98 H new ATOM 0 HB2 TYR A 103 1.608 -1.617 -12.591 1.00 0.87 H new ATOM 0 HB3 TYR A 103 1.971 -1.129 -10.947 1.00 0.87 H new ATOM 0 HD1 TYR A 103 0.644 0.789 -9.896 1.00 2.37 H new ATOM 0 HD2 TYR A 103 -0.425 -0.982 -13.672 1.00 1.59 H new ATOM 0 HE1 TYR A 103 -1.742 1.413 -9.521 1.00 2.33 H new ATOM 0 HE2 TYR A 103 -2.825 -0.454 -13.256 1.00 1.65 H new ATOM 0 HH TYR A 103 -4.293 0.478 -11.887 1.00 0.86 H new ATOM 1115 N SER A 104 4.037 1.049 -10.514 1.00 1.03 N ATOM 1116 CA SER A 104 4.625 2.057 -9.608 1.00 1.10 C ATOM 1117 C SER A 104 5.842 2.787 -10.211 1.00 1.11 C ATOM 1118 O SER A 104 6.433 3.643 -9.546 1.00 1.21 O ATOM 1119 CB SER A 104 5.019 1.380 -8.290 1.00 1.07 C ATOM 1120 OG SER A 104 5.432 2.321 -7.311 1.00 2.67 O ATOM 0 H SER A 104 4.426 0.116 -10.376 1.00 1.03 H new ATOM 0 HA SER A 104 3.865 2.820 -9.438 1.00 1.10 H new ATOM 0 HB2 SER A 104 4.173 0.808 -7.909 1.00 1.07 H new ATOM 0 HB3 SER A 104 5.826 0.671 -8.474 1.00 1.07 H new ATOM 0 HG SER A 104 5.844 3.093 -7.752 1.00 2.67 H new ATOM 1126 N ASN A 105 6.236 2.428 -11.437 1.00 1.07 N ATOM 1127 CA ASN A 105 7.389 2.936 -12.198 1.00 1.08 C ATOM 1128 C ASN A 105 8.761 2.902 -11.469 1.00 1.00 C ATOM 1129 O ASN A 105 9.651 3.698 -11.774 1.00 1.11 O ATOM 1130 CB ASN A 105 7.017 4.306 -12.805 1.00 1.21 C ATOM 1131 CG ASN A 105 7.809 4.628 -14.057 1.00 1.36 C ATOM 1132 OD1 ASN A 105 7.496 4.162 -15.143 1.00 1.46 O ATOM 1133 ND2 ASN A 105 8.866 5.391 -13.965 1.00 1.58 N ATOM 0 H ASN A 105 5.721 1.723 -11.965 1.00 1.07 H new ATOM 0 HA ASN A 105 7.581 2.228 -13.004 1.00 1.08 H new ATOM 0 HB2 ASN A 105 5.953 4.317 -13.041 1.00 1.21 H new ATOM 0 HB3 ASN A 105 7.187 5.086 -12.062 1.00 1.21 H new ATOM 0 HD21 ASN A 105 9.423 5.594 -14.795 1.00 1.58 H new ATOM 0 HD22 ASN A 105 9.134 5.784 -13.063 1.00 1.58 H new ATOM 1140 N TRP A 106 8.946 2.016 -10.482 1.00 0.89 N ATOM 1141 CA TRP A 106 10.120 1.982 -9.601 1.00 0.82 C ATOM 1142 C TRP A 106 10.720 0.573 -9.540 1.00 0.73 C ATOM 1143 O TRP A 106 9.962 -0.377 -9.317 1.00 0.81 O ATOM 1144 CB TRP A 106 9.723 2.424 -8.182 1.00 0.85 C ATOM 1145 CG TRP A 106 10.452 3.617 -7.660 1.00 0.92 C ATOM 1146 CD1 TRP A 106 11.425 3.608 -6.723 1.00 0.92 C ATOM 1147 CD2 TRP A 106 10.259 5.017 -8.018 1.00 1.09 C ATOM 1148 NE1 TRP A 106 11.779 4.905 -6.410 1.00 1.09 N ATOM 1149 CE2 TRP A 106 11.090 5.814 -7.179 1.00 1.23 C ATOM 1150 CE3 TRP A 106 9.466 5.692 -8.967 1.00 1.22 C ATOM 1151 CZ2 TRP A 106 11.117 7.211 -7.261 1.00 1.49 C ATOM 1152 CZ3 TRP A 106 9.471 7.097 -9.046 1.00 1.50 C ATOM 1153 CH2 TRP A 106 10.294 7.858 -8.197 1.00 1.64 C ATOM 0 H TRP A 106 8.267 1.285 -10.269 1.00 0.89 H new ATOM 0 HA TRP A 106 10.867 2.664 -10.007 1.00 0.82 H new ATOM 0 HB2 TRP A 106 8.654 2.638 -8.171 1.00 0.85 H new ATOM 0 HB3 TRP A 106 9.888 1.590 -7.500 1.00 0.85 H new ATOM 0 HD1 TRP A 106 11.860 2.721 -6.286 1.00 0.92 H new ATOM 0 HE1 TRP A 106 12.465 5.157 -5.698 1.00 1.09 H new ATOM 0 HE3 TRP A 106 8.845 5.123 -9.643 1.00 1.22 H new ATOM 0 HZ2 TRP A 106 11.763 7.784 -6.612 1.00 1.49 H new ATOM 0 HZ3 TRP A 106 8.837 7.595 -9.765 1.00 1.50 H new ATOM 0 HH2 TRP A 106 10.293 8.936 -8.265 1.00 1.64 H new ATOM 1164 N PRO A 107 12.051 0.405 -9.625 1.00 0.69 N ATOM 1165 CA PRO A 107 12.661 -0.920 -9.572 1.00 0.69 C ATOM 1166 C PRO A 107 12.517 -1.611 -8.207 1.00 0.69 C ATOM 1167 O PRO A 107 12.417 -2.838 -8.176 1.00 0.73 O ATOM 1168 CB PRO A 107 14.119 -0.728 -9.993 1.00 0.82 C ATOM 1169 CG PRO A 107 14.407 0.755 -9.759 1.00 0.98 C ATOM 1170 CD PRO A 107 13.046 1.433 -9.900 1.00 0.76 C ATOM 0 HA PRO A 107 12.144 -1.603 -10.247 1.00 0.69 H new ATOM 0 HB2 PRO A 107 14.786 -1.357 -9.404 1.00 0.82 H new ATOM 0 HB3 PRO A 107 14.267 -0.998 -11.039 1.00 0.82 H new ATOM 0 HG2 PRO A 107 14.835 0.926 -8.771 1.00 0.98 H new ATOM 0 HG3 PRO A 107 15.121 1.141 -10.487 1.00 0.98 H new ATOM 0 HD2 PRO A 107 12.951 2.264 -9.201 1.00 0.76 H new ATOM 0 HD3 PRO A 107 12.917 1.842 -10.902 1.00 0.76 H new ATOM 1178 N THR A 108 12.478 -0.879 -7.081 1.00 0.73 N ATOM 1179 CA THR A 108 12.281 -1.494 -5.744 1.00 0.92 C ATOM 1180 C THR A 108 11.703 -0.537 -4.687 1.00 0.83 C ATOM 1181 O THR A 108 12.419 0.059 -3.881 1.00 1.37 O ATOM 1182 CB THR A 108 13.571 -2.135 -5.196 1.00 1.34 C ATOM 1183 OG1 THR A 108 14.396 -2.668 -6.212 1.00 2.73 O ATOM 1184 CG2 THR A 108 13.259 -3.280 -4.238 1.00 1.93 C ATOM 0 H THR A 108 12.579 0.136 -7.063 1.00 0.73 H new ATOM 0 HA THR A 108 11.537 -2.271 -5.922 1.00 0.92 H new ATOM 0 HB THR A 108 14.092 -1.324 -4.688 1.00 1.34 H new ATOM 0 HG1 THR A 108 15.199 -3.060 -5.809 1.00 2.73 H new ATOM 0 HG21 THR A 108 14.190 -3.710 -3.870 1.00 1.93 H new ATOM 0 HG22 THR A 108 12.676 -2.903 -3.398 1.00 1.93 H new ATOM 0 HG23 THR A 108 12.687 -4.046 -4.761 1.00 1.93 H new ATOM 1192 N ILE A 109 10.377 -0.414 -4.669 1.00 0.71 N ATOM 1193 CA ILE A 109 9.576 0.234 -3.606 1.00 0.64 C ATOM 1194 C ILE A 109 8.316 -0.610 -3.307 1.00 0.79 C ATOM 1195 O ILE A 109 7.793 -1.236 -4.234 1.00 1.30 O ATOM 1196 CB ILE A 109 9.235 1.696 -4.014 1.00 0.99 C ATOM 1197 CG1 ILE A 109 10.386 2.679 -3.697 1.00 1.97 C ATOM 1198 CG2 ILE A 109 7.935 2.262 -3.416 1.00 1.35 C ATOM 1199 CD1 ILE A 109 10.668 2.951 -2.212 1.00 3.47 C ATOM 0 H ILE A 109 9.796 -0.776 -5.425 1.00 0.71 H new ATOM 0 HA ILE A 109 10.154 0.286 -2.683 1.00 0.64 H new ATOM 0 HB ILE A 109 9.086 1.616 -5.091 1.00 0.99 H new ATOM 0 HG12 ILE A 109 11.298 2.294 -4.152 1.00 1.97 H new ATOM 0 HG13 ILE A 109 10.165 3.630 -4.182 1.00 1.97 H new ATOM 0 HG21 ILE A 109 7.790 3.285 -3.762 1.00 1.35 H new ATOM 0 HG22 ILE A 109 7.091 1.649 -3.733 1.00 1.35 H new ATOM 0 HG23 ILE A 109 8.001 2.253 -2.328 1.00 1.35 H new ATOM 0 HD11 ILE A 109 11.496 3.655 -2.122 1.00 3.47 H new ATOM 0 HD12 ILE A 109 9.779 3.374 -1.744 1.00 3.47 H new ATOM 0 HD13 ILE A 109 10.930 2.017 -1.714 1.00 3.47 H new ATOM 1211 N PRO A 110 7.807 -0.644 -2.056 1.00 0.69 N ATOM 1212 CA PRO A 110 6.470 -1.154 -1.730 1.00 0.78 C ATOM 1213 C PRO A 110 5.409 -0.032 -1.627 1.00 0.59 C ATOM 1214 O PRO A 110 5.756 1.124 -1.360 1.00 0.58 O ATOM 1215 CB PRO A 110 6.676 -1.910 -0.423 1.00 1.11 C ATOM 1216 CG PRO A 110 7.820 -1.209 0.287 1.00 0.68 C ATOM 1217 CD PRO A 110 8.578 -0.474 -0.826 1.00 0.68 C ATOM 0 HA PRO A 110 6.068 -1.797 -2.513 1.00 0.78 H new ATOM 0 HB2 PRO A 110 5.771 -1.894 0.184 1.00 1.11 H new ATOM 0 HB3 PRO A 110 6.916 -2.957 -0.611 1.00 1.11 H new ATOM 0 HG2 PRO A 110 7.451 -0.513 1.041 1.00 0.68 H new ATOM 0 HG3 PRO A 110 8.464 -1.923 0.800 1.00 0.68 H new ATOM 0 HD2 PRO A 110 8.688 0.583 -0.584 1.00 0.68 H new ATOM 0 HD3 PRO A 110 9.582 -0.881 -0.942 1.00 0.68 H new ATOM 1225 N GLN A 111 4.122 -0.346 -1.839 1.00 0.54 N ATOM 1226 CA GLN A 111 3.030 0.632 -2.016 1.00 0.55 C ATOM 1227 C GLN A 111 1.762 0.292 -1.213 1.00 0.49 C ATOM 1228 O GLN A 111 1.581 -0.836 -0.745 1.00 0.49 O ATOM 1229 CB GLN A 111 2.618 0.728 -3.503 1.00 0.85 C ATOM 1230 CG GLN A 111 3.722 1.024 -4.528 1.00 0.69 C ATOM 1231 CD GLN A 111 4.577 -0.186 -4.892 1.00 1.34 C ATOM 1232 OE1 GLN A 111 4.276 -1.333 -4.607 1.00 2.62 O ATOM 1233 NE2 GLN A 111 5.691 0.042 -5.536 1.00 1.51 N ATOM 0 H GLN A 111 3.800 -1.312 -1.894 1.00 0.54 H new ATOM 0 HA GLN A 111 3.433 1.576 -1.648 1.00 0.55 H new ATOM 0 HB2 GLN A 111 2.144 -0.213 -3.782 1.00 0.85 H new ATOM 0 HB3 GLN A 111 1.859 1.506 -3.592 1.00 0.85 H new ATOM 0 HG2 GLN A 111 3.264 1.418 -5.435 1.00 0.69 H new ATOM 0 HG3 GLN A 111 4.369 1.807 -4.132 1.00 0.69 H new ATOM 0 HE21 GLN A 111 5.953 0.997 -5.780 1.00 1.51 H new ATOM 0 HE22 GLN A 111 6.299 -0.735 -5.795 1.00 1.51 H new ATOM 1242 N VAL A 112 0.819 1.244 -1.149 1.00 0.50 N ATOM 1243 CA VAL A 112 -0.590 0.975 -0.863 1.00 0.48 C ATOM 1244 C VAL A 112 -1.486 1.726 -1.844 1.00 0.50 C ATOM 1245 O VAL A 112 -1.184 2.852 -2.254 1.00 0.65 O ATOM 1246 CB VAL A 112 -0.923 1.263 0.611 1.00 0.50 C ATOM 1247 CG1 VAL A 112 -0.803 2.733 1.015 1.00 0.51 C ATOM 1248 CG2 VAL A 112 -2.322 0.760 0.997 1.00 0.48 C ATOM 0 H VAL A 112 1.020 2.233 -1.297 1.00 0.50 H new ATOM 0 HA VAL A 112 -0.787 -0.087 -1.010 1.00 0.48 H new ATOM 0 HB VAL A 112 -0.160 0.710 1.159 1.00 0.50 H new ATOM 0 HG11 VAL A 112 -1.056 2.842 2.070 1.00 0.51 H new ATOM 0 HG12 VAL A 112 0.219 3.073 0.850 1.00 0.51 H new ATOM 0 HG13 VAL A 112 -1.487 3.333 0.414 1.00 0.51 H new ATOM 0 HG21 VAL A 112 -2.513 0.985 2.046 1.00 0.48 H new ATOM 0 HG22 VAL A 112 -3.070 1.255 0.378 1.00 0.48 H new ATOM 0 HG23 VAL A 112 -2.377 -0.317 0.841 1.00 0.48 H new ATOM 1258 N TYR A 113 -2.585 1.078 -2.218 1.00 0.49 N ATOM 1259 CA TYR A 113 -3.609 1.594 -3.121 1.00 0.43 C ATOM 1260 C TYR A 113 -4.958 1.547 -2.399 1.00 0.48 C ATOM 1261 O TYR A 113 -5.311 0.516 -1.814 1.00 0.50 O ATOM 1262 CB TYR A 113 -3.630 0.777 -4.423 1.00 0.38 C ATOM 1263 CG TYR A 113 -2.296 0.687 -5.148 1.00 0.58 C ATOM 1264 CD1 TYR A 113 -1.346 -0.257 -4.720 1.00 1.76 C ATOM 1265 CD2 TYR A 113 -2.006 1.496 -6.262 1.00 1.33 C ATOM 1266 CE1 TYR A 113 -0.124 -0.416 -5.403 1.00 1.96 C ATOM 1267 CE2 TYR A 113 -0.764 1.373 -6.922 1.00 1.40 C ATOM 1268 CZ TYR A 113 0.177 0.413 -6.501 1.00 1.12 C ATOM 1269 OH TYR A 113 1.357 0.278 -7.163 1.00 1.42 O ATOM 0 H TYR A 113 -2.796 0.137 -1.885 1.00 0.49 H new ATOM 0 HA TYR A 113 -3.391 2.626 -3.395 1.00 0.43 H new ATOM 0 HB2 TYR A 113 -3.971 -0.233 -4.195 1.00 0.38 H new ATOM 0 HB3 TYR A 113 -4.364 1.217 -5.098 1.00 0.38 H new ATOM 0 HD1 TYR A 113 -1.556 -0.869 -3.855 1.00 1.76 H new ATOM 0 HD2 TYR A 113 -2.734 2.212 -6.613 1.00 1.33 H new ATOM 0 HE1 TYR A 113 0.580 -1.171 -5.086 1.00 1.96 H new ATOM 0 HE2 TYR A 113 -0.534 2.020 -7.756 1.00 1.40 H new ATOM 0 HH TYR A 113 1.398 0.929 -7.894 1.00 1.42 H new ATOM 1279 N LEU A 114 -5.708 2.655 -2.414 1.00 0.53 N ATOM 1280 CA LEU A 114 -7.019 2.751 -1.761 1.00 0.58 C ATOM 1281 C LEU A 114 -8.146 2.815 -2.785 1.00 0.63 C ATOM 1282 O LEU A 114 -8.110 3.654 -3.687 1.00 0.66 O ATOM 1283 CB LEU A 114 -7.101 3.895 -0.734 1.00 0.65 C ATOM 1284 CG LEU A 114 -6.862 3.437 0.717 1.00 0.66 C ATOM 1285 CD1 LEU A 114 -5.442 2.957 0.942 1.00 0.60 C ATOM 1286 CD2 LEU A 114 -7.184 4.581 1.676 1.00 0.76 C ATOM 0 H LEU A 114 -5.421 3.515 -2.882 1.00 0.53 H new ATOM 0 HA LEU A 114 -7.147 1.833 -1.187 1.00 0.58 H new ATOM 0 HB2 LEU A 114 -6.366 4.657 -0.992 1.00 0.65 H new ATOM 0 HB3 LEU A 114 -8.083 4.364 -0.802 1.00 0.65 H new ATOM 0 HG LEU A 114 -7.523 2.592 0.909 1.00 0.66 H new ATOM 0 HD11 LEU A 114 -5.324 2.645 1.980 1.00 0.60 H new ATOM 0 HD12 LEU A 114 -5.234 2.114 0.284 1.00 0.60 H new ATOM 0 HD13 LEU A 114 -4.745 3.767 0.725 1.00 0.60 H new ATOM 0 HD21 LEU A 114 -7.014 4.254 2.702 1.00 0.76 H new ATOM 0 HD22 LEU A 114 -6.541 5.433 1.455 1.00 0.76 H new ATOM 0 HD23 LEU A 114 -8.227 4.873 1.556 1.00 0.76 H new ATOM 1298 N ASN A 115 -9.150 1.945 -2.638 1.00 0.65 N ATOM 1299 CA ASN A 115 -10.271 1.841 -3.584 1.00 0.68 C ATOM 1300 C ASN A 115 -9.809 1.631 -5.048 1.00 0.64 C ATOM 1301 O ASN A 115 -10.379 2.179 -5.993 1.00 0.68 O ATOM 1302 CB ASN A 115 -11.186 3.057 -3.397 1.00 0.76 C ATOM 1303 CG ASN A 115 -12.649 2.763 -3.641 1.00 0.87 C ATOM 1304 OD1 ASN A 115 -13.052 1.709 -4.115 1.00 0.92 O ATOM 1305 ND2 ASN A 115 -13.494 3.667 -3.223 1.00 0.96 N ATOM 0 H ASN A 115 -9.211 1.290 -1.858 1.00 0.65 H new ATOM 0 HA ASN A 115 -10.844 0.941 -3.362 1.00 0.68 H new ATOM 0 HB2 ASN A 115 -11.066 3.438 -2.383 1.00 0.76 H new ATOM 0 HB3 ASN A 115 -10.866 3.848 -4.075 1.00 0.76 H new ATOM 0 HD21 ASN A 115 -14.497 3.497 -3.290 1.00 0.96 H new ATOM 0 HD22 ASN A 115 -13.150 4.543 -2.829 1.00 0.96 H new ATOM 1312 N GLY A 116 -8.713 0.892 -5.238 1.00 0.60 N ATOM 1313 CA GLY A 116 -8.039 0.714 -6.522 1.00 0.60 C ATOM 1314 C GLY A 116 -7.256 1.919 -7.090 1.00 0.63 C ATOM 1315 O GLY A 116 -6.892 1.886 -8.268 1.00 0.78 O ATOM 0 H GLY A 116 -8.258 0.387 -4.478 1.00 0.60 H new ATOM 0 HA2 GLY A 116 -7.346 -0.122 -6.425 1.00 0.60 H new ATOM 0 HA3 GLY A 116 -8.789 0.423 -7.258 1.00 0.60 H new ATOM 1319 N GLU A 117 -7.018 2.998 -6.333 1.00 0.60 N ATOM 1320 CA GLU A 117 -6.281 4.193 -6.782 1.00 0.62 C ATOM 1321 C GLU A 117 -4.960 4.351 -6.025 1.00 0.61 C ATOM 1322 O GLU A 117 -4.853 4.025 -4.842 1.00 0.61 O ATOM 1323 CB GLU A 117 -7.187 5.429 -6.748 1.00 0.69 C ATOM 1324 CG GLU A 117 -6.494 6.707 -7.191 1.00 0.79 C ATOM 1325 CD GLU A 117 -7.476 7.846 -7.521 1.00 0.97 C ATOM 1326 OE1 GLU A 117 -7.939 8.577 -6.610 1.00 2.08 O ATOM 1327 OE2 GLU A 117 -7.824 8.011 -8.717 1.00 2.20 O ATOM 0 H GLU A 117 -7.339 3.069 -5.367 1.00 0.60 H new ATOM 0 HA GLU A 117 -5.991 4.067 -7.825 1.00 0.62 H new ATOM 0 HB2 GLU A 117 -8.051 5.253 -7.390 1.00 0.69 H new ATOM 0 HB3 GLU A 117 -7.565 5.564 -5.735 1.00 0.69 H new ATOM 0 HG2 GLU A 117 -5.816 7.037 -6.404 1.00 0.79 H new ATOM 0 HG3 GLU A 117 -5.884 6.496 -8.069 1.00 0.79 H new ATOM 1334 N PHE A 118 -3.938 4.822 -6.738 1.00 0.65 N ATOM 1335 CA PHE A 118 -2.584 4.995 -6.233 1.00 0.67 C ATOM 1336 C PHE A 118 -2.414 6.324 -5.506 1.00 0.63 C ATOM 1337 O PHE A 118 -3.038 7.347 -5.797 1.00 0.74 O ATOM 1338 CB PHE A 118 -1.590 4.822 -7.376 1.00 0.80 C ATOM 1339 CG PHE A 118 -0.108 4.745 -7.056 1.00 0.88 C ATOM 1340 CD1 PHE A 118 0.402 4.234 -5.843 1.00 2.33 C ATOM 1341 CD2 PHE A 118 0.781 5.122 -8.074 1.00 1.80 C ATOM 1342 CE1 PHE A 118 1.790 4.068 -5.680 1.00 2.43 C ATOM 1343 CE2 PHE A 118 2.168 4.969 -7.908 1.00 1.86 C ATOM 1344 CZ PHE A 118 2.672 4.422 -6.716 1.00 1.24 C ATOM 0 H PHE A 118 -4.037 5.102 -7.714 1.00 0.65 H new ATOM 0 HA PHE A 118 -2.383 4.226 -5.487 1.00 0.67 H new ATOM 0 HB2 PHE A 118 -1.859 3.911 -7.911 1.00 0.80 H new ATOM 0 HB3 PHE A 118 -1.735 5.652 -8.067 1.00 0.80 H new ATOM 0 HD1 PHE A 118 -0.272 3.971 -5.041 1.00 2.33 H new ATOM 0 HD2 PHE A 118 0.395 5.534 -8.995 1.00 1.80 H new ATOM 0 HE1 PHE A 118 2.179 3.667 -4.756 1.00 2.43 H new ATOM 0 HE2 PHE A 118 2.844 5.271 -8.694 1.00 1.86 H new ATOM 0 HZ PHE A 118 3.735 4.274 -6.596 1.00 1.24 H new ATOM 1354 N VAL A 119 -1.648 6.186 -4.437 1.00 0.55 N ATOM 1355 CA VAL A 119 -1.959 6.723 -3.118 1.00 0.63 C ATOM 1356 C VAL A 119 -0.650 6.849 -2.357 1.00 0.75 C ATOM 1357 O VAL A 119 -0.320 7.947 -1.916 1.00 0.86 O ATOM 1358 CB VAL A 119 -2.990 5.754 -2.507 1.00 0.81 C ATOM 1359 CG1 VAL A 119 -2.950 5.446 -1.027 1.00 0.87 C ATOM 1360 CG2 VAL A 119 -4.375 6.333 -2.795 1.00 1.59 C ATOM 0 H VAL A 119 -0.762 5.681 -4.462 1.00 0.55 H new ATOM 0 HA VAL A 119 -2.401 7.719 -3.110 1.00 0.63 H new ATOM 0 HB VAL A 119 -2.740 4.801 -2.974 1.00 0.81 H new ATOM 0 HG11 VAL A 119 -3.749 4.747 -0.779 1.00 0.87 H new ATOM 0 HG12 VAL A 119 -1.987 5.002 -0.774 1.00 0.87 H new ATOM 0 HG13 VAL A 119 -3.085 6.367 -0.460 1.00 0.87 H new ATOM 0 HG21 VAL A 119 -5.138 5.676 -2.378 1.00 1.59 H new ATOM 0 HG22 VAL A 119 -4.458 7.320 -2.340 1.00 1.59 H new ATOM 0 HG23 VAL A 119 -4.518 6.417 -3.872 1.00 1.59 H new ATOM 1370 N GLY A 120 0.196 5.811 -2.412 1.00 0.76 N ATOM 1371 CA GLY A 120 1.622 6.073 -2.566 1.00 0.78 C ATOM 1372 C GLY A 120 2.583 4.911 -2.316 1.00 0.63 C ATOM 1373 O GLY A 120 2.202 3.859 -1.801 1.00 0.61 O ATOM 0 H GLY A 120 -0.070 4.828 -2.355 1.00 0.76 H new ATOM 0 HA2 GLY A 120 1.790 6.436 -3.580 1.00 0.78 H new ATOM 0 HA3 GLY A 120 1.890 6.883 -1.888 1.00 0.78 H new ATOM 1377 N GLY A 121 3.842 5.124 -2.709 1.00 0.64 N ATOM 1378 CA GLY A 121 4.994 4.301 -2.327 1.00 0.55 C ATOM 1379 C GLY A 121 5.543 4.656 -0.939 1.00 0.50 C ATOM 1380 O GLY A 121 5.141 5.650 -0.335 1.00 0.51 O ATOM 0 H GLY A 121 4.096 5.899 -3.322 1.00 0.64 H new ATOM 0 HA2 GLY A 121 4.705 3.250 -2.341 1.00 0.55 H new ATOM 0 HA3 GLY A 121 5.784 4.424 -3.068 1.00 0.55 H new ATOM 1384 N CYS A 122 6.461 3.847 -0.409 1.00 0.52 N ATOM 1385 CA CYS A 122 6.913 3.945 0.985 1.00 0.56 C ATOM 1386 C CYS A 122 7.612 5.263 1.380 1.00 0.57 C ATOM 1387 O CYS A 122 7.517 5.666 2.540 1.00 0.69 O ATOM 1388 CB CYS A 122 7.814 2.731 1.250 1.00 0.70 C ATOM 1389 SG CYS A 122 8.104 2.458 3.020 1.00 0.98 S ATOM 0 H CYS A 122 6.916 3.101 -0.935 1.00 0.52 H new ATOM 0 HA CYS A 122 6.025 3.949 1.617 1.00 0.56 H new ATOM 0 HB2 CYS A 122 7.356 1.841 0.818 1.00 0.70 H new ATOM 0 HB3 CYS A 122 8.770 2.874 0.746 1.00 0.70 H new ATOM 0 HG CYS A 122 9.270 1.908 3.189 1.00 0.98 H new ATOM 1395 N ASP A 123 8.275 5.970 0.458 1.00 0.55 N ATOM 1396 CA ASP A 123 8.815 7.312 0.767 1.00 0.57 C ATOM 1397 C ASP A 123 7.715 8.383 0.770 1.00 0.60 C ATOM 1398 O ASP A 123 7.759 9.326 1.559 1.00 0.75 O ATOM 1399 CB ASP A 123 9.932 7.698 -0.214 1.00 0.63 C ATOM 1400 CG ASP A 123 10.695 8.944 0.259 1.00 1.01 C ATOM 1401 OD1 ASP A 123 11.259 8.924 1.380 1.00 1.94 O ATOM 1402 OD2 ASP A 123 10.778 9.949 -0.486 1.00 2.08 O ATOM 0 H ASP A 123 8.452 5.649 -0.494 1.00 0.55 H new ATOM 0 HA ASP A 123 9.236 7.263 1.771 1.00 0.57 H new ATOM 0 HB2 ASP A 123 10.626 6.865 -0.322 1.00 0.63 H new ATOM 0 HB3 ASP A 123 9.504 7.885 -1.199 1.00 0.63 H new ATOM 1407 N ILE A 124 6.693 8.205 -0.070 1.00 0.56 N ATOM 1408 CA ILE A 124 5.542 9.112 -0.194 1.00 0.58 C ATOM 1409 C ILE A 124 4.628 8.982 1.020 1.00 0.54 C ATOM 1410 O ILE A 124 4.222 9.980 1.613 1.00 0.54 O ATOM 1411 CB ILE A 124 4.789 8.832 -1.501 1.00 0.63 C ATOM 1412 CG1 ILE A 124 5.692 9.080 -2.722 1.00 0.68 C ATOM 1413 CG2 ILE A 124 3.496 9.659 -1.588 1.00 0.70 C ATOM 1414 CD1 ILE A 124 6.313 10.478 -2.846 1.00 1.03 C ATOM 0 H ILE A 124 6.639 7.406 -0.701 1.00 0.56 H new ATOM 0 HA ILE A 124 5.900 10.141 -0.227 1.00 0.58 H new ATOM 0 HB ILE A 124 4.506 7.779 -1.503 1.00 0.63 H new ATOM 0 HG12 ILE A 124 6.500 8.349 -2.702 1.00 0.68 H new ATOM 0 HG13 ILE A 124 5.109 8.885 -3.622 1.00 0.68 H new ATOM 0 HG21 ILE A 124 2.985 9.438 -2.525 1.00 0.70 H new ATOM 0 HG22 ILE A 124 2.845 9.405 -0.751 1.00 0.70 H new ATOM 0 HG23 ILE A 124 3.740 10.721 -1.549 1.00 0.70 H new ATOM 0 HD11 ILE A 124 6.926 10.525 -3.746 1.00 1.03 H new ATOM 0 HD12 ILE A 124 5.521 11.224 -2.907 1.00 1.03 H new ATOM 0 HD13 ILE A 124 6.934 10.679 -1.973 1.00 1.03 H new ATOM 1426 N LEU A 125 4.373 7.747 1.449 1.00 0.49 N ATOM 1427 CA LEU A 125 3.617 7.459 2.666 1.00 0.43 C ATOM 1428 C LEU A 125 4.250 8.119 3.905 1.00 0.45 C ATOM 1429 O LEU A 125 3.522 8.578 4.784 1.00 0.46 O ATOM 1430 CB LEU A 125 3.494 5.927 2.835 1.00 0.43 C ATOM 1431 CG LEU A 125 2.120 5.514 3.390 1.00 0.57 C ATOM 1432 CD1 LEU A 125 1.037 5.634 2.314 1.00 0.72 C ATOM 1433 CD2 LEU A 125 2.126 4.065 3.870 1.00 0.63 C ATOM 0 H LEU A 125 4.688 6.911 0.957 1.00 0.49 H new ATOM 0 HA LEU A 125 2.620 7.888 2.571 1.00 0.43 H new ATOM 0 HB2 LEU A 125 3.656 5.442 1.872 1.00 0.43 H new ATOM 0 HB3 LEU A 125 4.277 5.573 3.506 1.00 0.43 H new ATOM 0 HG LEU A 125 1.909 6.184 4.223 1.00 0.57 H new ATOM 0 HD11 LEU A 125 0.075 5.336 2.731 1.00 0.72 H new ATOM 0 HD12 LEU A 125 0.979 6.666 1.969 1.00 0.72 H new ATOM 0 HD13 LEU A 125 1.285 4.985 1.474 1.00 0.72 H new ATOM 0 HD21 LEU A 125 1.140 3.805 4.256 1.00 0.63 H new ATOM 0 HD22 LEU A 125 2.374 3.407 3.037 1.00 0.63 H new ATOM 0 HD23 LEU A 125 2.868 3.946 4.660 1.00 0.63 H new ATOM 1445 N LEU A 126 5.584 8.247 3.933 1.00 0.50 N ATOM 1446 CA LEU A 126 6.327 8.934 5.000 1.00 0.56 C ATOM 1447 C LEU A 126 6.053 10.446 5.007 1.00 0.60 C ATOM 1448 O LEU A 126 5.997 11.061 6.068 1.00 0.72 O ATOM 1449 CB LEU A 126 7.843 8.651 4.854 1.00 0.62 C ATOM 1450 CG LEU A 126 8.610 8.291 6.140 1.00 0.67 C ATOM 1451 CD1 LEU A 126 8.472 9.341 7.239 1.00 0.68 C ATOM 1452 CD2 LEU A 126 8.168 6.943 6.702 1.00 0.80 C ATOM 0 H LEU A 126 6.188 7.870 3.203 1.00 0.50 H new ATOM 0 HA LEU A 126 5.981 8.542 5.956 1.00 0.56 H new ATOM 0 HB2 LEU A 126 7.969 7.834 4.144 1.00 0.62 H new ATOM 0 HB3 LEU A 126 8.312 9.531 4.414 1.00 0.62 H new ATOM 0 HG LEU A 126 9.656 8.245 5.838 1.00 0.67 H new ATOM 0 HD11 LEU A 126 9.036 9.025 8.117 1.00 0.68 H new ATOM 0 HD12 LEU A 126 8.860 10.295 6.882 1.00 0.68 H new ATOM 0 HD13 LEU A 126 7.421 9.454 7.505 1.00 0.68 H new ATOM 0 HD21 LEU A 126 8.732 6.724 7.609 1.00 0.80 H new ATOM 0 HD22 LEU A 126 7.104 6.978 6.936 1.00 0.80 H new ATOM 0 HD23 LEU A 126 8.352 6.163 5.963 1.00 0.80 H new ATOM 1464 N GLN A 127 5.808 11.057 3.845 1.00 0.59 N ATOM 1465 CA GLN A 127 5.358 12.444 3.773 1.00 0.61 C ATOM 1466 C GLN A 127 3.923 12.563 4.292 1.00 0.52 C ATOM 1467 O GLN A 127 3.640 13.306 5.236 1.00 0.54 O ATOM 1468 CB GLN A 127 5.421 12.949 2.323 1.00 0.68 C ATOM 1469 CG GLN A 127 6.706 12.601 1.559 1.00 0.81 C ATOM 1470 CD GLN A 127 7.985 12.828 2.356 1.00 0.90 C ATOM 1471 OE1 GLN A 127 8.321 13.946 2.735 1.00 1.07 O ATOM 1472 NE2 GLN A 127 8.715 11.775 2.647 1.00 0.88 N ATOM 0 H GLN A 127 5.916 10.606 2.936 1.00 0.59 H new ATOM 0 HA GLN A 127 6.016 13.052 4.394 1.00 0.61 H new ATOM 0 HB2 GLN A 127 4.572 12.539 1.776 1.00 0.68 H new ATOM 0 HB3 GLN A 127 5.304 14.033 2.328 1.00 0.68 H new ATOM 0 HG2 GLN A 127 6.662 11.556 1.253 1.00 0.81 H new ATOM 0 HG3 GLN A 127 6.747 13.198 0.648 1.00 0.81 H new ATOM 0 HE21 GLN A 127 8.427 10.850 2.327 1.00 0.88 H new ATOM 0 HE22 GLN A 127 9.570 11.882 3.193 1.00 0.88 H new ATOM 1481 N MET A 128 3.025 11.785 3.685 1.00 0.47 N ATOM 1482 CA MET A 128 1.585 11.948 3.800 1.00 0.44 C ATOM 1483 C MET A 128 1.027 11.555 5.166 1.00 0.44 C ATOM 1484 O MET A 128 0.026 12.121 5.603 1.00 0.45 O ATOM 1485 CB MET A 128 0.935 11.101 2.714 1.00 0.40 C ATOM 1486 CG MET A 128 1.259 11.587 1.301 1.00 0.43 C ATOM 1487 SD MET A 128 0.382 10.688 0.005 1.00 0.46 S ATOM 1488 CE MET A 128 -1.277 11.276 0.383 1.00 0.48 C ATOM 0 H MET A 128 3.292 11.005 3.085 1.00 0.47 H new ATOM 0 HA MET A 128 1.358 13.008 3.683 1.00 0.44 H new ATOM 0 HB2 MET A 128 1.265 10.068 2.821 1.00 0.40 H new ATOM 0 HB3 MET A 128 -0.146 11.107 2.855 1.00 0.40 H new ATOM 0 HG2 MET A 128 1.014 12.646 1.226 1.00 0.43 H new ATOM 0 HG3 MET A 128 2.332 11.495 1.132 1.00 0.43 H new ATOM 0 HE1 MET A 128 -1.917 10.428 0.627 1.00 0.48 H new ATOM 0 HE2 MET A 128 -1.237 11.957 1.233 1.00 0.48 H new ATOM 0 HE3 MET A 128 -1.683 11.800 -0.482 1.00 0.48 H new ATOM 1498 N HIS A 129 1.672 10.610 5.850 1.00 0.44 N ATOM 1499 CA HIS A 129 1.346 10.261 7.247 1.00 0.46 C ATOM 1500 C HIS A 129 1.442 11.479 8.153 1.00 0.55 C ATOM 1501 O HIS A 129 0.565 11.774 8.964 1.00 0.54 O ATOM 1502 CB HIS A 129 2.360 9.248 7.782 1.00 0.52 C ATOM 1503 CG HIS A 129 2.046 8.663 9.135 1.00 0.56 C ATOM 1504 ND1 HIS A 129 0.865 8.128 9.596 1.00 0.53 N ATOM 1505 CD2 HIS A 129 2.958 8.525 10.135 1.00 0.71 C ATOM 1506 CE1 HIS A 129 1.092 7.625 10.821 1.00 0.66 C ATOM 1507 NE2 HIS A 129 2.364 7.842 11.202 1.00 0.79 N ATOM 0 H HIS A 129 2.437 10.060 5.458 1.00 0.44 H new ATOM 0 HA HIS A 129 0.333 9.860 7.248 1.00 0.46 H new ATOM 0 HB2 HIS A 129 2.444 8.432 7.064 1.00 0.52 H new ATOM 0 HB3 HIS A 129 3.336 9.730 7.833 1.00 0.52 H new ATOM 0 HD2 HIS A 129 3.976 8.885 10.109 1.00 0.71 H new ATOM 0 HE1 HIS A 129 0.352 7.115 11.420 1.00 0.66 H new ATOM 0 HE2 HIS A 129 2.802 7.567 12.081 1.00 0.79 H new ATOM 1515 N GLN A 130 2.587 12.136 8.008 1.00 0.66 N ATOM 1516 CA GLN A 130 3.159 13.015 9.007 1.00 0.80 C ATOM 1517 C GLN A 130 2.722 14.475 8.779 1.00 0.85 C ATOM 1518 O GLN A 130 2.789 15.307 9.685 1.00 1.09 O ATOM 1519 CB GLN A 130 4.669 12.749 9.025 1.00 0.90 C ATOM 1520 CG GLN A 130 4.979 11.266 9.204 1.00 0.88 C ATOM 1521 CD GLN A 130 6.247 10.945 9.981 1.00 1.06 C ATOM 1522 OE1 GLN A 130 6.215 10.241 10.983 1.00 1.48 O ATOM 1523 NE2 GLN A 130 7.408 11.374 9.544 1.00 0.96 N ATOM 0 H GLN A 130 3.156 12.066 7.164 1.00 0.66 H new ATOM 0 HA GLN A 130 2.787 12.812 10.011 1.00 0.80 H new ATOM 0 HB2 GLN A 130 5.112 13.104 8.094 1.00 0.90 H new ATOM 0 HB3 GLN A 130 5.129 13.317 9.834 1.00 0.90 H new ATOM 0 HG2 GLN A 130 4.136 10.796 9.711 1.00 0.88 H new ATOM 0 HG3 GLN A 130 5.054 10.808 8.218 1.00 0.88 H new ATOM 0 HE21 GLN A 130 7.454 11.961 8.711 1.00 0.96 H new ATOM 0 HE22 GLN A 130 8.264 11.120 10.037 1.00 0.96 H new ATOM 1532 N ASN A 131 2.208 14.752 7.571 1.00 0.71 N ATOM 1533 CA ASN A 131 1.384 15.910 7.223 1.00 0.75 C ATOM 1534 C ASN A 131 -0.130 15.636 7.404 1.00 0.74 C ATOM 1535 O ASN A 131 -0.845 16.537 7.839 1.00 0.93 O ATOM 1536 CB ASN A 131 1.781 16.372 5.804 1.00 0.71 C ATOM 1537 CG ASN A 131 0.649 16.243 4.815 1.00 1.18 C ATOM 1538 OD1 ASN A 131 0.446 15.203 4.211 1.00 2.95 O ATOM 1539 ND2 ASN A 131 -0.174 17.248 4.699 1.00 1.18 N ATOM 0 H ASN A 131 2.367 14.139 6.771 1.00 0.71 H new ATOM 0 HA ASN A 131 1.577 16.730 7.915 1.00 0.75 H new ATOM 0 HB2 ASN A 131 2.109 17.411 5.842 1.00 0.71 H new ATOM 0 HB3 ASN A 131 2.630 15.783 5.458 1.00 0.71 H new ATOM 0 HD21 ASN A 131 -0.995 17.168 4.099 1.00 1.18 H new ATOM 0 HD22 ASN A 131 0.004 18.114 5.208 1.00 1.18 H new ATOM 1546 N GLY A 132 -0.623 14.414 7.150 1.00 0.59 N ATOM 1547 CA GLY A 132 -2.027 14.038 7.361 1.00 0.55 C ATOM 1548 C GLY A 132 -2.869 13.986 6.079 1.00 0.53 C ATOM 1549 O GLY A 132 -4.093 13.880 6.148 1.00 0.54 O ATOM 0 H GLY A 132 -0.050 13.651 6.788 1.00 0.59 H new ATOM 0 HA2 GLY A 132 -2.060 13.061 7.843 1.00 0.55 H new ATOM 0 HA3 GLY A 132 -2.481 14.749 8.051 1.00 0.55 H new ATOM 1553 N ASP A 133 -2.260 13.998 4.896 1.00 0.52 N ATOM 1554 CA ASP A 133 -2.969 13.833 3.621 1.00 0.52 C ATOM 1555 C ASP A 133 -3.457 12.384 3.415 1.00 0.48 C ATOM 1556 O ASP A 133 -4.258 12.137 2.512 1.00 0.54 O ATOM 1557 CB ASP A 133 -2.087 14.314 2.456 1.00 0.59 C ATOM 1558 CG ASP A 133 -2.009 15.841 2.292 1.00 0.99 C ATOM 1559 OD1 ASP A 133 -2.482 16.610 3.167 1.00 2.27 O ATOM 1560 OD2 ASP A 133 -1.487 16.282 1.237 1.00 1.85 O ATOM 0 H ASP A 133 -1.253 14.123 4.790 1.00 0.52 H new ATOM 0 HA ASP A 133 -3.864 14.455 3.648 1.00 0.52 H new ATOM 0 HB2 ASP A 133 -1.078 13.926 2.599 1.00 0.59 H new ATOM 0 HB3 ASP A 133 -2.466 13.882 1.530 1.00 0.59 H new ATOM 1565 N LEU A 134 -3.037 11.420 4.261 1.00 0.40 N ATOM 1566 CA LEU A 134 -3.621 10.071 4.238 1.00 0.33 C ATOM 1567 C LEU A 134 -5.036 10.076 4.812 1.00 0.35 C ATOM 1568 O LEU A 134 -5.847 9.200 4.535 1.00 0.35 O ATOM 1569 CB LEU A 134 -2.787 9.077 5.069 1.00 0.27 C ATOM 1570 CG LEU A 134 -1.342 8.876 4.612 1.00 0.32 C ATOM 1571 CD1 LEU A 134 -0.649 7.818 5.461 1.00 0.35 C ATOM 1572 CD2 LEU A 134 -1.235 8.449 3.155 1.00 0.38 C ATOM 0 H LEU A 134 -2.305 11.552 4.959 1.00 0.40 H new ATOM 0 HA LEU A 134 -3.634 9.761 3.193 1.00 0.33 H new ATOM 0 HB2 LEU A 134 -2.777 9.417 6.104 1.00 0.27 H new ATOM 0 HB3 LEU A 134 -3.290 8.110 5.056 1.00 0.27 H new ATOM 0 HG LEU A 134 -0.859 9.846 4.728 1.00 0.32 H new ATOM 0 HD11 LEU A 134 0.378 7.692 5.118 1.00 0.35 H new ATOM 0 HD12 LEU A 134 -0.647 8.133 6.505 1.00 0.35 H new ATOM 0 HD13 LEU A 134 -1.181 6.871 5.369 1.00 0.35 H new ATOM 0 HD21 LEU A 134 -0.186 8.322 2.889 1.00 0.38 H new ATOM 0 HD22 LEU A 134 -1.762 7.506 3.013 1.00 0.38 H new ATOM 0 HD23 LEU A 134 -1.681 9.213 2.518 1.00 0.38 H new ATOM 1584 N VAL A 135 -5.305 11.057 5.665 1.00 0.40 N ATOM 1585 CA VAL A 135 -6.459 11.096 6.554 1.00 0.40 C ATOM 1586 C VAL A 135 -7.691 11.576 5.794 1.00 0.43 C ATOM 1587 O VAL A 135 -8.771 11.009 5.941 1.00 0.46 O ATOM 1588 CB VAL A 135 -6.127 11.996 7.750 1.00 0.37 C ATOM 1589 CG1 VAL A 135 -7.054 11.702 8.905 1.00 0.39 C ATOM 1590 CG2 VAL A 135 -4.763 11.626 8.334 1.00 0.39 C ATOM 0 H VAL A 135 -4.704 11.876 5.760 1.00 0.40 H new ATOM 0 HA VAL A 135 -6.688 10.098 6.928 1.00 0.40 H new ATOM 0 HB VAL A 135 -6.189 13.020 7.383 1.00 0.37 H new ATOM 0 HG11 VAL A 135 -6.805 12.349 9.746 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -8.084 11.884 8.600 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -6.943 10.660 9.204 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -4.542 12.274 9.182 1.00 0.39 H new ATOM 0 HG22 VAL A 135 -4.779 10.588 8.665 1.00 0.39 H new ATOM 0 HG23 VAL A 135 -3.994 11.752 7.571 1.00 0.39 H new ATOM 1600 N GLU A 136 -7.493 12.545 4.899 1.00 0.45 N ATOM 1601 CA GLU A 136 -8.485 13.013 3.927 1.00 0.50 C ATOM 1602 C GLU A 136 -8.750 11.945 2.859 1.00 0.53 C ATOM 1603 O GLU A 136 -9.885 11.767 2.424 1.00 0.64 O ATOM 1604 CB GLU A 136 -7.978 14.298 3.248 1.00 0.61 C ATOM 1605 CG GLU A 136 -7.544 15.399 4.218 1.00 1.08 C ATOM 1606 CD GLU A 136 -8.689 15.886 5.116 1.00 1.50 C ATOM 1607 OE1 GLU A 136 -9.446 16.803 4.713 1.00 2.25 O ATOM 1608 OE2 GLU A 136 -8.820 15.384 6.255 1.00 2.42 O ATOM 0 H GLU A 136 -6.606 13.044 4.828 1.00 0.45 H new ATOM 0 HA GLU A 136 -9.416 13.215 4.457 1.00 0.50 H new ATOM 0 HB2 GLU A 136 -7.135 14.046 2.604 1.00 0.61 H new ATOM 0 HB3 GLU A 136 -8.766 14.689 2.604 1.00 0.61 H new ATOM 0 HG2 GLU A 136 -6.732 15.027 4.842 1.00 1.08 H new ATOM 0 HG3 GLU A 136 -7.150 16.242 3.651 1.00 1.08 H new ATOM 1615 N GLU A 137 -7.711 11.194 2.480 1.00 0.50 N ATOM 1616 CA GLU A 137 -7.821 10.044 1.568 1.00 0.54 C ATOM 1617 C GLU A 137 -8.637 8.894 2.194 1.00 0.54 C ATOM 1618 O GLU A 137 -9.518 8.338 1.543 1.00 0.62 O ATOM 1619 CB GLU A 137 -6.415 9.574 1.146 1.00 0.57 C ATOM 1620 CG GLU A 137 -6.371 8.876 -0.228 1.00 0.75 C ATOM 1621 CD GLU A 137 -6.557 9.821 -1.431 1.00 0.72 C ATOM 1622 OE1 GLU A 137 -6.266 11.034 -1.328 1.00 1.58 O ATOM 1623 OE2 GLU A 137 -6.998 9.369 -2.516 1.00 1.58 O ATOM 0 H GLU A 137 -6.758 11.367 2.800 1.00 0.50 H new ATOM 0 HA GLU A 137 -8.363 10.363 0.678 1.00 0.54 H new ATOM 0 HB2 GLU A 137 -5.747 10.435 1.126 1.00 0.57 H new ATOM 0 HB3 GLU A 137 -6.030 8.889 1.902 1.00 0.57 H new ATOM 0 HG2 GLU A 137 -5.415 8.362 -0.330 1.00 0.75 H new ATOM 0 HG3 GLU A 137 -7.148 8.112 -0.258 1.00 0.75 H new ATOM 1630 N LEU A 138 -8.425 8.585 3.480 1.00 0.48 N ATOM 1631 CA LEU A 138 -9.227 7.612 4.238 1.00 0.48 C ATOM 1632 C LEU A 138 -10.701 8.043 4.357 1.00 0.51 C ATOM 1633 O LEU A 138 -11.595 7.203 4.244 1.00 0.50 O ATOM 1634 CB LEU A 138 -8.591 7.411 5.629 1.00 0.43 C ATOM 1635 CG LEU A 138 -7.373 6.468 5.648 1.00 0.38 C ATOM 1636 CD1 LEU A 138 -6.608 6.628 6.965 1.00 0.42 C ATOM 1637 CD2 LEU A 138 -7.791 4.999 5.536 1.00 0.36 C ATOM 0 H LEU A 138 -7.680 9.010 4.033 1.00 0.48 H new ATOM 0 HA LEU A 138 -9.228 6.666 3.697 1.00 0.48 H new ATOM 0 HB2 LEU A 138 -8.288 8.383 6.019 1.00 0.43 H new ATOM 0 HB3 LEU A 138 -9.349 7.018 6.307 1.00 0.43 H new ATOM 0 HG LEU A 138 -6.751 6.736 4.794 1.00 0.38 H new ATOM 0 HD11 LEU A 138 -5.748 5.958 6.970 1.00 0.42 H new ATOM 0 HD12 LEU A 138 -6.266 7.658 7.064 1.00 0.42 H new ATOM 0 HD13 LEU A 138 -7.265 6.382 7.799 1.00 0.42 H new ATOM 0 HD21 LEU A 138 -6.904 4.366 5.553 1.00 0.36 H new ATOM 0 HD22 LEU A 138 -8.438 4.740 6.374 1.00 0.36 H new ATOM 0 HD23 LEU A 138 -8.329 4.844 4.601 1.00 0.36 H new ATOM 1649 N LYS A 139 -10.972 9.350 4.500 1.00 0.56 N ATOM 1650 CA LYS A 139 -12.341 9.903 4.539 1.00 0.64 C ATOM 1651 C LYS A 139 -13.098 9.729 3.210 1.00 0.72 C ATOM 1652 O LYS A 139 -14.325 9.626 3.247 1.00 0.81 O ATOM 1653 CB LYS A 139 -12.313 11.372 5.004 1.00 0.73 C ATOM 1654 CG LYS A 139 -11.923 11.533 6.483 1.00 0.66 C ATOM 1655 CD LYS A 139 -11.604 13.000 6.808 1.00 0.69 C ATOM 1656 CE LYS A 139 -10.686 13.136 8.028 1.00 0.65 C ATOM 1657 NZ LYS A 139 -10.455 14.567 8.321 1.00 0.81 N ATOM 0 H LYS A 139 -10.245 10.060 4.593 1.00 0.56 H new ATOM 0 HA LYS A 139 -12.905 9.324 5.270 1.00 0.64 H new ATOM 0 HB2 LYS A 139 -11.608 11.928 4.387 1.00 0.73 H new ATOM 0 HB3 LYS A 139 -13.296 11.816 4.844 1.00 0.73 H new ATOM 0 HG2 LYS A 139 -12.737 11.184 7.118 1.00 0.66 H new ATOM 0 HG3 LYS A 139 -11.056 10.910 6.705 1.00 0.66 H new ATOM 0 HD2 LYS A 139 -11.130 13.467 5.945 1.00 0.69 H new ATOM 0 HD3 LYS A 139 -12.533 13.540 6.992 1.00 0.69 H new ATOM 0 HE2 LYS A 139 -11.137 12.646 8.891 1.00 0.65 H new ATOM 0 HE3 LYS A 139 -9.736 12.636 7.838 1.00 0.65 H new ATOM 0 HZ1 LYS A 139 -10.167 14.676 9.314 1.00 0.81 H new ATOM 0 HZ2 LYS A 139 -9.704 14.932 7.701 1.00 0.81 H new ATOM 0 HZ3 LYS A 139 -11.331 15.101 8.154 1.00 0.81 H new ATOM 1671 N LYS A 140 -12.422 9.553 2.059 1.00 0.74 N ATOM 1672 CA LYS A 140 -13.058 9.152 0.782 1.00 0.82 C ATOM 1673 C LYS A 140 -13.732 7.781 0.859 1.00 0.70 C ATOM 1674 O LYS A 140 -14.776 7.594 0.238 1.00 0.78 O ATOM 1675 CB LYS A 140 -12.037 9.117 -0.368 1.00 1.06 C ATOM 1676 CG LYS A 140 -11.284 10.437 -0.538 1.00 1.29 C ATOM 1677 CD LYS A 140 -10.238 10.329 -1.645 1.00 1.58 C ATOM 1678 CE LYS A 140 -9.530 11.679 -1.757 1.00 1.65 C ATOM 1679 NZ LYS A 140 -8.656 11.752 -2.950 1.00 1.88 N ATOM 0 H LYS A 140 -11.413 9.685 1.985 1.00 0.74 H new ATOM 0 HA LYS A 140 -13.819 9.908 0.590 1.00 0.82 H new ATOM 0 HB2 LYS A 140 -11.320 8.317 -0.186 1.00 1.06 H new ATOM 0 HB3 LYS A 140 -12.553 8.877 -1.298 1.00 1.06 H new ATOM 0 HG2 LYS A 140 -11.989 11.234 -0.774 1.00 1.29 H new ATOM 0 HG3 LYS A 140 -10.800 10.707 0.400 1.00 1.29 H new ATOM 0 HD2 LYS A 140 -9.521 9.540 -1.417 1.00 1.58 H new ATOM 0 HD3 LYS A 140 -10.710 10.066 -2.592 1.00 1.58 H new ATOM 0 HE2 LYS A 140 -10.273 12.475 -1.803 1.00 1.65 H new ATOM 0 HE3 LYS A 140 -8.934 11.851 -0.861 1.00 1.65 H new ATOM 0 HZ1 LYS A 140 -7.944 12.498 -2.814 1.00 1.88 H new ATOM 0 HZ2 LYS A 140 -8.178 10.838 -3.087 1.00 1.88 H new ATOM 0 HZ3 LYS A 140 -9.231 11.971 -3.789 1.00 1.88 H new ATOM 1693 N LEU A 141 -13.163 6.852 1.634 1.00 0.61 N ATOM 1694 CA LEU A 141 -13.718 5.540 1.967 1.00 0.59 C ATOM 1695 C LEU A 141 -14.608 5.584 3.229 1.00 0.60 C ATOM 1696 O LEU A 141 -15.084 4.551 3.700 1.00 0.81 O ATOM 1697 CB LEU A 141 -12.540 4.570 2.176 1.00 0.60 C ATOM 1698 CG LEU A 141 -11.875 3.927 0.946 1.00 0.62 C ATOM 1699 CD1 LEU A 141 -12.847 3.073 0.134 1.00 1.29 C ATOM 1700 CD2 LEU A 141 -11.179 4.959 0.066 1.00 1.19 C ATOM 0 H LEU A 141 -12.253 7.006 2.069 1.00 0.61 H new ATOM 0 HA LEU A 141 -14.358 5.207 1.150 1.00 0.59 H new ATOM 0 HB2 LEU A 141 -11.766 5.106 2.726 1.00 0.60 H new ATOM 0 HB3 LEU A 141 -12.889 3.763 2.821 1.00 0.60 H new ATOM 0 HG LEU A 141 -11.109 3.256 1.334 1.00 0.62 H new ATOM 0 HD11 LEU A 141 -12.326 2.643 -0.722 1.00 1.29 H new ATOM 0 HD12 LEU A 141 -13.238 2.272 0.761 1.00 1.29 H new ATOM 0 HD13 LEU A 141 -13.671 3.694 -0.217 1.00 1.29 H new ATOM 0 HD21 LEU A 141 -10.724 4.460 -0.790 1.00 1.19 H new ATOM 0 HD22 LEU A 141 -11.908 5.689 -0.285 1.00 1.19 H new ATOM 0 HD23 LEU A 141 -10.406 5.467 0.643 1.00 1.19 H new ATOM 1712 N GLY A 142 -14.767 6.762 3.840 1.00 0.61 N ATOM 1713 CA GLY A 142 -15.451 6.955 5.117 1.00 0.77 C ATOM 1714 C GLY A 142 -14.679 6.463 6.347 1.00 0.79 C ATOM 1715 O GLY A 142 -15.206 6.582 7.461 1.00 1.12 O ATOM 0 H GLY A 142 -14.411 7.633 3.445 1.00 0.61 H new ATOM 0 HA2 GLY A 142 -15.664 8.017 5.241 1.00 0.77 H new ATOM 0 HA3 GLY A 142 -16.411 6.440 5.079 1.00 0.77 H new ATOM 1719 N ILE A 143 -13.459 5.930 6.178 1.00 0.53 N ATOM 1720 CA ILE A 143 -12.685 5.309 7.258 1.00 0.46 C ATOM 1721 C ILE A 143 -12.160 6.371 8.231 1.00 0.44 C ATOM 1722 O ILE A 143 -11.532 7.359 7.841 1.00 0.50 O ATOM 1723 CB ILE A 143 -11.534 4.391 6.763 1.00 0.41 C ATOM 1724 CG1 ILE A 143 -12.024 3.238 5.848 1.00 0.48 C ATOM 1725 CG2 ILE A 143 -10.827 3.815 8.013 1.00 0.46 C ATOM 1726 CD1 ILE A 143 -10.907 2.447 5.126 1.00 0.54 C ATOM 0 H ILE A 143 -12.980 5.919 5.278 1.00 0.53 H new ATOM 0 HA ILE A 143 -13.379 4.653 7.783 1.00 0.46 H new ATOM 0 HB ILE A 143 -10.853 4.986 6.154 1.00 0.41 H new ATOM 0 HG12 ILE A 143 -12.609 2.542 6.450 1.00 0.48 H new ATOM 0 HG13 ILE A 143 -12.696 3.653 5.097 1.00 0.48 H new ATOM 0 HG21 ILE A 143 -10.011 3.164 7.701 1.00 0.46 H new ATOM 0 HG22 ILE A 143 -10.430 4.632 8.615 1.00 0.46 H new ATOM 0 HG23 ILE A 143 -11.542 3.243 8.604 1.00 0.46 H new ATOM 0 HD11 ILE A 143 -11.354 1.665 4.512 1.00 0.54 H new ATOM 0 HD12 ILE A 143 -10.334 3.123 4.491 1.00 0.54 H new ATOM 0 HD13 ILE A 143 -10.245 1.995 5.865 1.00 0.54 H new ATOM 1738 N HIS A 144 -12.354 6.100 9.518 1.00 0.49 N ATOM 1739 CA HIS A 144 -11.811 6.868 10.630 1.00 0.50 C ATOM 1740 C HIS A 144 -10.351 6.494 10.895 1.00 0.43 C ATOM 1741 O HIS A 144 -10.059 5.386 11.348 1.00 0.48 O ATOM 1742 CB HIS A 144 -12.678 6.558 11.850 1.00 0.65 C ATOM 1743 CG HIS A 144 -12.547 7.523 13.003 1.00 0.85 C ATOM 1744 ND1 HIS A 144 -13.288 8.665 13.203 1.00 1.08 N ATOM 1745 CD2 HIS A 144 -11.742 7.375 14.101 1.00 1.02 C ATOM 1746 CE1 HIS A 144 -12.945 9.188 14.389 1.00 1.26 C ATOM 1747 NE2 HIS A 144 -12.000 8.435 14.986 1.00 1.23 N ATOM 0 H HIS A 144 -12.917 5.307 9.826 1.00 0.49 H new ATOM 0 HA HIS A 144 -11.826 7.934 10.403 1.00 0.50 H new ATOM 0 HB2 HIS A 144 -13.721 6.534 11.536 1.00 0.65 H new ATOM 0 HB3 HIS A 144 -12.429 5.558 12.206 1.00 0.65 H new ATOM 0 HD2 HIS A 144 -11.030 6.579 14.260 1.00 1.02 H new ATOM 0 HE1 HIS A 144 -13.368 10.089 14.808 1.00 1.26 H new ATOM 0 HE2 HIS A 144 -11.563 8.600 15.893 1.00 1.23 H new ATOM 1755 N SER A 145 -9.419 7.412 10.662 1.00 0.40 N ATOM 1756 CA SER A 145 -8.072 7.308 11.217 1.00 0.39 C ATOM 1757 C SER A 145 -8.124 7.356 12.750 1.00 0.43 C ATOM 1758 O SER A 145 -8.648 8.278 13.347 1.00 0.55 O ATOM 1759 CB SER A 145 -7.228 8.449 10.633 1.00 0.43 C ATOM 1760 OG SER A 145 -6.189 8.858 11.505 1.00 0.43 O ATOM 0 H SER A 145 -9.572 8.242 10.089 1.00 0.40 H new ATOM 0 HA SER A 145 -7.615 6.356 10.949 1.00 0.39 H new ATOM 0 HB2 SER A 145 -6.797 8.129 9.685 1.00 0.43 H new ATOM 0 HB3 SER A 145 -7.874 9.301 10.418 1.00 0.43 H new ATOM 0 HG SER A 145 -5.330 8.526 11.169 1.00 0.43 H new ATOM 1766 N ALA A 146 -7.513 6.388 13.414 1.00 0.40 N ATOM 1767 CA ALA A 146 -7.375 6.288 14.871 1.00 0.46 C ATOM 1768 C ALA A 146 -6.553 7.434 15.510 1.00 0.56 C ATOM 1769 O ALA A 146 -6.371 7.460 16.733 1.00 0.90 O ATOM 1770 CB ALA A 146 -6.805 4.905 15.209 1.00 0.43 C ATOM 0 H ALA A 146 -7.074 5.605 12.931 1.00 0.40 H new ATOM 0 HA ALA A 146 -8.365 6.403 15.312 1.00 0.46 H new ATOM 0 HB1 ALA A 146 -6.695 4.811 16.289 1.00 0.43 H new ATOM 0 HB2 ALA A 146 -7.483 4.133 14.845 1.00 0.43 H new ATOM 0 HB3 ALA A 146 -5.831 4.787 14.733 1.00 0.43 H new ATOM 1776 N LEU A 147 -6.040 8.375 14.706 1.00 0.46 N ATOM 1777 CA LEU A 147 -5.349 9.589 15.089 1.00 0.54 C ATOM 1778 C LEU A 147 -6.267 10.831 15.089 1.00 0.68 C ATOM 1779 O LEU A 147 -5.831 11.907 15.501 1.00 0.88 O ATOM 1780 CB LEU A 147 -4.196 9.743 14.092 1.00 0.50 C ATOM 1781 CG LEU A 147 -3.289 8.524 13.855 1.00 0.45 C ATOM 1782 CD1 LEU A 147 -2.057 8.932 13.057 1.00 0.53 C ATOM 1783 CD2 LEU A 147 -2.839 7.911 15.171 1.00 0.47 C ATOM 0 H LEU A 147 -6.109 8.289 13.692 1.00 0.46 H new ATOM 0 HA LEU A 147 -4.991 9.514 16.116 1.00 0.54 H new ATOM 0 HB2 LEU A 147 -4.620 10.038 13.132 1.00 0.50 H new ATOM 0 HB3 LEU A 147 -3.568 10.568 14.430 1.00 0.50 H new ATOM 0 HG LEU A 147 -3.867 7.786 13.298 1.00 0.45 H new ATOM 0 HD11 LEU A 147 -1.423 8.060 12.896 1.00 0.53 H new ATOM 0 HD12 LEU A 147 -2.366 9.339 12.094 1.00 0.53 H new ATOM 0 HD13 LEU A 147 -1.500 9.689 13.609 1.00 0.53 H new ATOM 0 HD21 LEU A 147 -2.199 7.051 14.972 1.00 0.47 H new ATOM 0 HD22 LEU A 147 -2.283 8.652 15.746 1.00 0.47 H new ATOM 0 HD23 LEU A 147 -3.711 7.590 15.740 1.00 0.47 H new ATOM 1795 N LEU A 148 -7.525 10.700 14.639 1.00 0.65 N ATOM 1796 CA LEU A 148 -8.498 11.781 14.485 1.00 0.92 C ATOM 1797 C LEU A 148 -8.738 12.590 15.764 1.00 1.33 C ATOM 1798 O LEU A 148 -9.055 13.780 15.701 1.00 1.74 O ATOM 1799 CB LEU A 148 -9.846 11.178 14.020 1.00 0.76 C ATOM 1800 CG LEU A 148 -10.207 11.646 12.596 1.00 0.93 C ATOM 1801 CD1 LEU A 148 -9.917 10.541 11.620 1.00 2.01 C ATOM 1802 CD2 LEU A 148 -11.649 12.123 12.449 1.00 2.17 C ATOM 0 H LEU A 148 -7.904 9.795 14.361 1.00 0.65 H new ATOM 0 HA LEU A 148 -8.082 12.471 13.750 1.00 0.92 H new ATOM 0 HB2 LEU A 148 -9.788 10.090 14.044 1.00 0.76 H new ATOM 0 HB3 LEU A 148 -10.636 11.470 14.712 1.00 0.76 H new ATOM 0 HG LEU A 148 -9.586 12.516 12.383 1.00 0.93 H new ATOM 0 HD11 LEU A 148 -10.171 10.870 10.612 1.00 2.01 H new ATOM 0 HD12 LEU A 148 -8.858 10.287 11.662 1.00 2.01 H new ATOM 0 HD13 LEU A 148 -10.511 9.664 11.876 1.00 2.01 H new ATOM 0 HD21 LEU A 148 -11.826 12.436 11.420 1.00 2.17 H new ATOM 0 HD22 LEU A 148 -12.329 11.310 12.703 1.00 2.17 H new ATOM 0 HD23 LEU A 148 -11.824 12.965 13.119 1.00 2.17 H new ATOM 1814 N ASP A 149 -8.618 11.936 16.917 1.00 1.42 N ATOM 1815 CA ASP A 149 -8.956 12.456 18.241 1.00 1.95 C ATOM 1816 C ASP A 149 -7.752 12.396 19.194 1.00 1.90 C ATOM 1817 O ASP A 149 -7.879 12.130 20.391 1.00 2.15 O ATOM 1818 CB ASP A 149 -10.197 11.708 18.733 1.00 2.38 C ATOM 1819 CG ASP A 149 -10.897 12.368 19.926 1.00 3.07 C ATOM 1820 OD1 ASP A 149 -10.875 13.622 20.046 1.00 4.63 O ATOM 1821 OD2 ASP A 149 -11.499 11.613 20.731 1.00 2.63 O ATOM 0 H ASP A 149 -8.264 10.980 16.956 1.00 1.42 H new ATOM 0 HA ASP A 149 -9.201 13.517 18.198 1.00 1.95 H new ATOM 0 HB2 ASP A 149 -10.907 11.625 17.910 1.00 2.38 H new ATOM 0 HB3 ASP A 149 -9.910 10.694 19.010 1.00 2.38 H new ATOM 1826 N GLU A 150 -6.558 12.607 18.640 1.00 1.78 N ATOM 1827 CA GLU A 150 -5.265 12.676 19.324 1.00 2.06 C ATOM 1828 C GLU A 150 -4.926 14.085 19.834 1.00 2.42 C ATOM 1829 O GLU A 150 -4.608 14.210 21.043 1.00 3.02 O ATOM 1830 CB GLU A 150 -4.206 12.116 18.362 1.00 2.32 C ATOM 1831 CG GLU A 150 -2.949 11.732 19.130 1.00 2.73 C ATOM 1832 CD GLU A 150 -1.856 11.147 18.228 1.00 3.36 C ATOM 1833 OE1 GLU A 150 -1.197 11.912 17.483 1.00 4.14 O ATOM 1834 OE2 GLU A 150 -1.543 9.937 18.343 1.00 3.92 O ATOM 0 H GLU A 150 -6.461 12.744 17.634 1.00 1.78 H new ATOM 0 HA GLU A 150 -5.297 12.073 20.232 1.00 2.06 H new ATOM 0 HB2 GLU A 150 -4.602 11.245 17.840 1.00 2.32 H new ATOM 0 HB3 GLU A 150 -3.964 12.860 17.603 1.00 2.32 H new ATOM 0 HG2 GLU A 150 -2.559 12.612 19.642 1.00 2.73 H new ATOM 0 HG3 GLU A 150 -3.207 11.004 19.899 1.00 2.73 H new