USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -3.12! K(o=-3.4!,f=-2.7) USER MOD Set 1.2: A 83 SER OG : rot -153:sc= -0.327 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-2.7!) USER MOD Set 3.1: A 33 MET CE :methyl 166:sc= -1.77 (180deg=-2.36!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -2.4 K(o=-4.2,f=-8!) USER MOD Set 4.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 58 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -131:sc= 0.451 USER MOD Single : A 22 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -2:sc= 0.242! USER MOD Single : A 36 HIS : no HD1:sc= -0.596 K(o=-0.6,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.529 K(o=-0.53,f=-1.6) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.78) USER MOD Single : A 66 MET CE :methyl 143:sc= -0.904 (180deg=-1.98!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.391 -6.024 -5.440 1.00 0.00 N ATOM 142 CA ALA A 13 -2.034 -6.324 -4.998 1.00 0.00 C ATOM 143 C ALA A 13 -1.670 -7.776 -5.292 1.00 0.00 C ATOM 144 O ALA A 13 -2.542 -8.606 -5.551 1.00 0.00 O ATOM 145 CB ALA A 13 -1.886 -6.031 -3.513 1.00 0.00 C ATOM 0 HA ALA A 13 -1.347 -5.685 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.868 -6.259 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.096 -4.978 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.588 -6.646 -2.949 1.00 0.00 H new ATOM 151 N THR A 14 -0.376 -8.076 -5.250 1.00 0.00 N ATOM 152 CA THR A 14 0.104 -9.427 -5.513 1.00 0.00 C ATOM 153 C THR A 14 0.894 -9.971 -4.328 1.00 0.00 C ATOM 154 O THR A 14 1.602 -9.228 -3.648 1.00 0.00 O ATOM 155 CB THR A 14 0.992 -9.472 -6.771 1.00 0.00 C ATOM 156 OG1 THR A 14 0.299 -8.891 -7.881 1.00 0.00 O ATOM 157 CG2 THR A 14 1.385 -10.903 -7.105 1.00 0.00 C ATOM 0 H THR A 14 0.359 -7.401 -5.036 1.00 0.00 H new ATOM 0 HA THR A 14 -0.776 -10.049 -5.675 1.00 0.00 H new ATOM 0 HB THR A 14 1.898 -8.901 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.871 -8.922 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.012 -10.909 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.938 -11.333 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.487 -11.494 -7.288 1.00 0.00 H new ATOM 165 N VAL A 15 0.768 -11.271 -4.085 1.00 0.00 N ATOM 166 CA VAL A 15 1.471 -11.915 -2.983 1.00 0.00 C ATOM 167 C VAL A 15 2.948 -12.107 -3.310 1.00 0.00 C ATOM 168 O VAL A 15 3.300 -12.548 -4.403 1.00 0.00 O ATOM 169 CB VAL A 15 0.850 -13.284 -2.643 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.806 -14.171 -3.878 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.626 -13.957 -1.521 1.00 0.00 C ATOM 0 H VAL A 15 0.185 -11.900 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 15 1.375 -11.256 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.173 -13.125 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.365 -15.133 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.204 -13.691 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.818 -14.325 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.174 -14.922 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.660 -14.105 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.601 -13.327 -0.632 1.00 0.00 H new ATOM 181 N GLY A 16 3.809 -11.772 -2.353 1.00 0.00 N ATOM 182 CA GLY A 16 5.238 -11.914 -2.559 1.00 0.00 C ATOM 183 C GLY A 16 5.827 -10.765 -3.354 1.00 0.00 C ATOM 184 O GLY A 16 6.891 -10.248 -3.015 1.00 0.00 O ATOM 0 H GLY A 16 3.542 -11.405 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.737 -11.976 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.435 -12.851 -3.080 1.00 0.00 H new ATOM 188 N SER A 17 5.134 -10.366 -4.416 1.00 0.00 N ATOM 189 CA SER A 17 5.597 -9.275 -5.265 1.00 0.00 C ATOM 190 C SER A 17 5.409 -7.929 -4.571 1.00 0.00 C ATOM 191 O SER A 17 4.481 -7.750 -3.782 1.00 0.00 O ATOM 192 CB SER A 17 4.847 -9.284 -6.598 1.00 0.00 C ATOM 193 OG SER A 17 5.375 -10.265 -7.474 1.00 0.00 O ATOM 0 H SER A 17 4.250 -10.782 -4.709 1.00 0.00 H new ATOM 0 HA SER A 17 6.660 -9.421 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.789 -9.480 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.916 -8.301 -7.064 1.00 0.00 H new ATOM 0 HG SER A 17 4.877 -10.252 -8.318 1.00 0.00 H new ATOM 199 N ILE A 18 6.296 -6.987 -4.872 1.00 0.00 N ATOM 200 CA ILE A 18 6.228 -5.657 -4.279 1.00 0.00 C ATOM 201 C ILE A 18 4.927 -4.955 -4.652 1.00 0.00 C ATOM 202 O ILE A 18 4.469 -5.039 -5.792 1.00 0.00 O ATOM 203 CB ILE A 18 7.416 -4.782 -4.721 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.738 -5.434 -4.312 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.298 -3.389 -4.121 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.030 -5.332 -2.831 1.00 0.00 C ATOM 0 H ILE A 18 7.070 -7.120 -5.523 1.00 0.00 H new ATOM 0 HA ILE A 18 6.269 -5.791 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 18 7.398 -4.692 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.719 -6.485 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.551 -4.967 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.144 -2.782 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.371 -2.925 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.294 -3.460 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.982 -5.815 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.082 -4.282 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.237 -5.825 -2.269 1.00 0.00 H new ATOM 218 N CYS A 19 4.337 -4.261 -3.684 1.00 0.00 N ATOM 219 CA CYS A 19 3.088 -3.543 -3.911 1.00 0.00 C ATOM 220 C CYS A 19 3.325 -2.036 -3.940 1.00 0.00 C ATOM 221 O CYS A 19 3.906 -1.471 -3.013 1.00 0.00 O ATOM 222 CB CYS A 19 2.071 -3.890 -2.823 1.00 0.00 C ATOM 223 SG CYS A 19 0.512 -2.984 -2.954 1.00 0.00 S ATOM 0 H CYS A 19 4.703 -4.181 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 19 2.692 -3.849 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.862 -4.959 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.515 -3.689 -1.848 1.00 0.00 H new ATOM 0 HG CYS A 19 0.206 -2.477 -1.797 1.00 0.00 H new ATOM 229 N ASP A 20 2.874 -1.393 -5.011 1.00 0.00 N ATOM 230 CA ASP A 20 3.038 0.049 -5.162 1.00 0.00 C ATOM 231 C ASP A 20 1.736 0.779 -4.848 1.00 0.00 C ATOM 232 O ASP A 20 0.669 0.409 -5.342 1.00 0.00 O ATOM 233 CB ASP A 20 3.496 0.386 -6.582 1.00 0.00 C ATOM 234 CG ASP A 20 2.380 0.251 -7.598 1.00 0.00 C ATOM 235 OD1 ASP A 20 1.641 -0.755 -7.540 1.00 0.00 O ATOM 236 OD2 ASP A 20 2.243 1.153 -8.451 1.00 0.00 O ATOM 0 H ASP A 20 2.392 -1.846 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 20 3.799 0.379 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.882 1.405 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.319 -0.272 -6.861 1.00 0.00 H new ATOM 241 N LEU A 21 1.829 1.817 -4.024 1.00 0.00 N ATOM 242 CA LEU A 21 0.659 2.599 -3.643 1.00 0.00 C ATOM 243 C LEU A 21 0.688 3.977 -4.296 1.00 0.00 C ATOM 244 O LEU A 21 1.668 4.711 -4.176 1.00 0.00 O ATOM 245 CB LEU A 21 0.592 2.745 -2.121 1.00 0.00 C ATOM 246 CG LEU A 21 -0.805 2.920 -1.525 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.621 1.649 -1.695 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.713 3.304 -0.055 1.00 0.00 C ATOM 0 H LEU A 21 2.703 2.136 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.229 2.071 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.050 1.864 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.199 3.603 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.309 3.725 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.612 1.793 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.716 1.417 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.121 0.825 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.717 3.424 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.190 2.521 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.167 4.242 0.042 1.00 0.00 H new ATOM 260 N ASN A 22 -0.394 4.322 -4.987 1.00 0.00 N ATOM 261 CA ASN A 22 -0.493 5.613 -5.658 1.00 0.00 C ATOM 262 C ASN A 22 -0.963 6.695 -4.691 1.00 0.00 C ATOM 263 O ASN A 22 -2.154 6.807 -4.399 1.00 0.00 O ATOM 264 CB ASN A 22 -1.454 5.521 -6.845 1.00 0.00 C ATOM 265 CG ASN A 22 -1.123 4.366 -7.770 1.00 0.00 C ATOM 266 OD1 ASN A 22 -1.978 3.532 -8.070 1.00 0.00 O ATOM 267 ND2 ASN A 22 0.123 4.312 -8.226 1.00 0.00 N ATOM 0 H ASN A 22 -1.214 3.726 -5.097 1.00 0.00 H new ATOM 0 HA ASN A 22 0.499 5.883 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.473 5.406 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.422 6.454 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.405 3.557 -8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.798 5.025 -7.951 1.00 0.00 H new ATOM 274 N LEU A 23 -0.019 7.489 -4.197 1.00 0.00 N ATOM 275 CA LEU A 23 -0.336 8.563 -3.262 1.00 0.00 C ATOM 276 C LEU A 23 0.246 9.890 -3.740 1.00 0.00 C ATOM 277 O LEU A 23 1.394 9.954 -4.179 1.00 0.00 O ATOM 278 CB LEU A 23 0.202 8.230 -1.870 1.00 0.00 C ATOM 279 CG LEU A 23 -0.729 7.419 -0.967 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.063 7.136 0.370 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.047 8.152 -0.764 1.00 0.00 C ATOM 0 H LEU A 23 0.971 7.409 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.421 8.659 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.135 7.678 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.444 9.164 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.937 6.467 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.740 6.558 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.853 6.569 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.176 8.078 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.697 7.560 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.857 9.119 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.532 8.302 -1.728 1.00 0.00 H new ATOM 293 N LYS A 24 -0.554 10.947 -3.650 1.00 0.00 N ATOM 294 CA LYS A 24 -0.118 12.274 -4.070 1.00 0.00 C ATOM 295 C LYS A 24 -0.715 13.352 -3.171 1.00 0.00 C ATOM 296 O LYS A 24 -1.934 13.502 -3.092 1.00 0.00 O ATOM 297 CB LYS A 24 -0.519 12.529 -5.524 1.00 0.00 C ATOM 298 CG LYS A 24 -2.022 12.549 -5.746 1.00 0.00 C ATOM 299 CD LYS A 24 -2.378 12.190 -7.179 1.00 0.00 C ATOM 300 CE LYS A 24 -2.211 10.701 -7.438 1.00 0.00 C ATOM 301 NZ LYS A 24 -3.401 9.923 -6.994 1.00 0.00 N ATOM 0 H LYS A 24 -1.508 10.911 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 24 0.968 12.315 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.100 13.482 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.077 11.757 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.501 11.846 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.413 13.539 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.408 12.483 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.744 12.753 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.045 10.534 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.325 10.339 -6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.247 8.913 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.545 10.062 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.242 10.251 -7.510 1.00 0.00 H new ATOM 315 N ILE A 25 0.152 14.100 -2.496 1.00 0.00 N ATOM 316 CA ILE A 25 -0.290 15.165 -1.605 1.00 0.00 C ATOM 317 C ILE A 25 0.746 16.281 -1.525 1.00 0.00 C ATOM 318 O ILE A 25 1.788 16.150 -0.882 1.00 0.00 O ATOM 319 CB ILE A 25 -0.567 14.634 -0.186 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.051 13.184 -0.246 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.591 15.512 0.518 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.139 12.520 1.110 1.00 0.00 C ATOM 0 H ILE A 25 1.164 13.988 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.216 15.561 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 25 0.361 14.664 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.032 13.156 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.375 12.610 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.776 15.124 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.210 16.531 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.522 15.511 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.489 11.495 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.154 12.516 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.837 13.071 1.740 1.00 0.00 H new ATOM 334 N PRO A 26 0.455 17.408 -2.193 1.00 0.00 N ATOM 335 CA PRO A 26 1.348 18.570 -2.211 1.00 0.00 C ATOM 336 C PRO A 26 1.414 19.272 -0.859 1.00 0.00 C ATOM 337 O PRO A 26 2.440 19.846 -0.497 1.00 0.00 O ATOM 338 CB PRO A 26 0.714 19.488 -3.259 1.00 0.00 C ATOM 339 CG PRO A 26 -0.726 19.108 -3.274 1.00 0.00 C ATOM 340 CD PRO A 26 -0.768 17.634 -2.980 1.00 0.00 C ATOM 0 HA PRO A 26 2.377 18.289 -2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.844 20.538 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.171 19.346 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.286 19.671 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.177 19.326 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.662 17.361 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.772 17.042 -3.895 1.00 0.00 H new ATOM 348 N GLU A 27 0.313 19.221 -0.116 1.00 0.00 N ATOM 349 CA GLU A 27 0.247 19.852 1.196 1.00 0.00 C ATOM 350 C GLU A 27 1.107 19.099 2.207 1.00 0.00 C ATOM 351 O GLU A 27 1.621 19.685 3.160 1.00 0.00 O ATOM 352 CB GLU A 27 -1.201 19.911 1.687 1.00 0.00 C ATOM 353 CG GLU A 27 -1.954 21.143 1.214 1.00 0.00 C ATOM 354 CD GLU A 27 -1.274 22.436 1.621 1.00 0.00 C ATOM 355 OE1 GLU A 27 -0.547 22.429 2.637 1.00 0.00 O ATOM 356 OE2 GLU A 27 -1.468 23.453 0.924 1.00 0.00 O ATOM 0 H GLU A 27 -0.545 18.749 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 27 0.633 20.867 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.728 19.020 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.208 19.888 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.047 21.112 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.965 21.125 1.621 1.00 0.00 H new ATOM 363 N ILE A 28 1.259 17.797 1.991 1.00 0.00 N ATOM 364 CA ILE A 28 2.057 16.963 2.881 1.00 0.00 C ATOM 365 C ILE A 28 3.336 16.495 2.196 1.00 0.00 C ATOM 366 O ILE A 28 3.311 16.048 1.051 1.00 0.00 O ATOM 367 CB ILE A 28 1.264 15.732 3.360 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.001 16.170 4.100 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.132 14.859 4.254 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.881 15.016 4.527 1.00 0.00 C ATOM 0 H ILE A 28 0.840 17.297 1.207 1.00 0.00 H new ATOM 0 HA ILE A 28 2.314 17.578 3.744 1.00 0.00 H new ATOM 0 HB ILE A 28 0.968 15.146 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.284 16.745 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.576 16.836 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.558 13.993 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.006 14.523 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.454 15.434 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.759 15.401 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.196 14.454 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.323 14.361 5.196 1.00 0.00 H new ATOM 382 N ASN A 29 4.454 16.599 2.908 1.00 0.00 N ATOM 383 CA ASN A 29 5.745 16.185 2.369 1.00 0.00 C ATOM 384 C ASN A 29 6.052 14.739 2.746 1.00 0.00 C ATOM 385 O ASN A 29 5.839 14.325 3.885 1.00 0.00 O ATOM 386 CB ASN A 29 6.854 17.105 2.883 1.00 0.00 C ATOM 387 CG ASN A 29 7.051 18.323 2.001 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.324 19.310 2.115 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.037 18.257 1.114 1.00 0.00 N ATOM 0 H ASN A 29 4.492 16.966 3.859 1.00 0.00 H new ATOM 0 HA ASN A 29 5.698 16.257 1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.614 17.428 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.788 16.546 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.217 19.045 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.615 17.418 1.055 1.00 0.00 H new ATOM 396 N SER A 30 6.555 13.977 1.780 1.00 0.00 N ATOM 397 CA SER A 30 6.890 12.576 2.009 1.00 0.00 C ATOM 398 C SER A 30 7.761 12.421 3.251 1.00 0.00 C ATOM 399 O SER A 30 7.632 11.450 3.996 1.00 0.00 O ATOM 400 CB SER A 30 7.612 11.997 0.790 1.00 0.00 C ATOM 401 OG SER A 30 8.617 12.881 0.325 1.00 0.00 O ATOM 0 H SER A 30 6.739 14.306 0.832 1.00 0.00 H new ATOM 0 HA SER A 30 5.962 12.027 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.059 11.038 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.893 11.808 -0.007 1.00 0.00 H new ATOM 0 HG SER A 30 9.064 12.487 -0.453 1.00 0.00 H new ATOM 407 N SER A 31 8.649 13.387 3.468 1.00 0.00 N ATOM 408 CA SER A 31 9.545 13.357 4.618 1.00 0.00 C ATOM 409 C SER A 31 8.757 13.424 5.922 1.00 0.00 C ATOM 410 O SER A 31 9.168 12.862 6.938 1.00 0.00 O ATOM 411 CB SER A 31 10.537 14.520 4.548 1.00 0.00 C ATOM 412 OG SER A 31 9.864 15.767 4.572 1.00 0.00 O ATOM 0 H SER A 31 8.767 14.199 2.863 1.00 0.00 H new ATOM 0 HA SER A 31 10.096 12.417 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.231 14.461 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.131 14.441 3.637 1.00 0.00 H new ATOM 0 HG SER A 31 10.520 16.494 4.528 1.00 0.00 H new ATOM 418 N ASP A 32 7.623 14.114 5.887 1.00 0.00 N ATOM 419 CA ASP A 32 6.776 14.255 7.065 1.00 0.00 C ATOM 420 C ASP A 32 5.643 13.233 7.044 1.00 0.00 C ATOM 421 O ASP A 32 4.598 13.439 7.660 1.00 0.00 O ATOM 422 CB ASP A 32 6.202 15.670 7.141 1.00 0.00 C ATOM 423 CG ASP A 32 7.122 16.629 7.872 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.133 16.605 9.121 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.830 17.403 7.195 1.00 0.00 O ATOM 0 H ASP A 32 7.269 14.585 5.055 1.00 0.00 H new ATOM 0 HA ASP A 32 7.390 14.073 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.023 16.041 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.237 15.641 7.646 1.00 0.00 H new ATOM 430 N MET A 33 5.857 12.134 6.330 1.00 0.00 N ATOM 431 CA MET A 33 4.854 11.080 6.229 1.00 0.00 C ATOM 432 C MET A 33 5.344 9.797 6.891 1.00 0.00 C ATOM 433 O MET A 33 6.540 9.626 7.125 1.00 0.00 O ATOM 434 CB MET A 33 4.510 10.813 4.762 1.00 0.00 C ATOM 435 CG MET A 33 3.402 11.704 4.225 1.00 0.00 C ATOM 436 SD MET A 33 2.493 10.940 2.868 1.00 0.00 S ATOM 437 CE MET A 33 3.797 10.738 1.657 1.00 0.00 C ATOM 0 H MET A 33 6.716 11.949 5.812 1.00 0.00 H new ATOM 0 HA MET A 33 3.957 11.415 6.750 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.405 10.955 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.212 9.770 4.651 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.710 11.943 5.032 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.832 12.646 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.461 10.063 0.870 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.044 11.707 1.224 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.680 10.320 2.140 1.00 0.00 H new ATOM 447 N SER A 34 4.412 8.897 7.190 1.00 0.00 N ATOM 448 CA SER A 34 4.749 7.631 7.829 1.00 0.00 C ATOM 449 C SER A 34 3.684 6.577 7.543 1.00 0.00 C ATOM 450 O SER A 34 2.525 6.730 7.928 1.00 0.00 O ATOM 451 CB SER A 34 4.901 7.822 9.339 1.00 0.00 C ATOM 452 OG SER A 34 5.938 8.741 9.635 1.00 0.00 O ATOM 0 H SER A 34 3.418 9.022 7.000 1.00 0.00 H new ATOM 0 HA SER A 34 5.697 7.286 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.962 8.181 9.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.115 6.863 9.810 1.00 0.00 H new ATOM 0 HG SER A 34 6.359 9.039 8.802 1.00 0.00 H new ATOM 458 N ALA A 35 4.086 5.507 6.864 1.00 0.00 N ATOM 459 CA ALA A 35 3.168 4.427 6.527 1.00 0.00 C ATOM 460 C ALA A 35 3.577 3.126 7.209 1.00 0.00 C ATOM 461 O ALA A 35 4.754 2.909 7.500 1.00 0.00 O ATOM 462 CB ALA A 35 3.106 4.237 5.019 1.00 0.00 C ATOM 0 H ALA A 35 5.042 5.366 6.537 1.00 0.00 H new ATOM 0 HA ALA A 35 2.177 4.701 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.416 3.427 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.759 5.158 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.099 3.990 4.642 1.00 0.00 H new ATOM 468 N HIS A 36 2.599 2.262 7.463 1.00 0.00 N ATOM 469 CA HIS A 36 2.858 0.982 8.111 1.00 0.00 C ATOM 470 C HIS A 36 1.884 -0.084 7.618 1.00 0.00 C ATOM 471 O HIS A 36 0.669 0.111 7.643 1.00 0.00 O ATOM 472 CB HIS A 36 2.750 1.124 9.630 1.00 0.00 C ATOM 473 CG HIS A 36 3.673 2.156 10.202 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.337 3.490 10.308 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.926 2.045 10.702 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.344 4.154 10.847 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.320 3.300 11.096 1.00 0.00 N ATOM 0 H HIS A 36 1.620 2.426 7.230 1.00 0.00 H new ATOM 0 HA HIS A 36 3.870 0.671 7.853 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.724 1.382 9.891 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.964 0.161 10.093 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.508 1.138 10.777 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.365 5.215 11.049 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.221 3.535 11.513 1.00 0.00 H new ATOM 486 N VAL A 37 2.426 -1.212 7.169 1.00 0.00 N ATOM 487 CA VAL A 37 1.605 -2.309 6.670 1.00 0.00 C ATOM 488 C VAL A 37 1.223 -3.264 7.795 1.00 0.00 C ATOM 489 O VAL A 37 2.031 -4.085 8.230 1.00 0.00 O ATOM 490 CB VAL A 37 2.334 -3.098 5.566 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.500 -4.291 5.124 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.652 -2.192 4.386 1.00 0.00 C ATOM 0 H VAL A 37 3.430 -1.390 7.141 1.00 0.00 H new ATOM 0 HA VAL A 37 0.702 -1.865 6.252 1.00 0.00 H new ATOM 0 HB VAL A 37 3.274 -3.472 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.031 -4.837 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.328 -4.950 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.543 -3.942 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.167 -2.766 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.726 -1.787 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.291 -1.374 4.717 1.00 0.00 H new ATOM 502 N THR A 38 -0.017 -3.154 8.262 1.00 0.00 N ATOM 503 CA THR A 38 -0.507 -4.007 9.337 1.00 0.00 C ATOM 504 C THR A 38 -1.118 -5.290 8.785 1.00 0.00 C ATOM 505 O THR A 38 -1.909 -5.257 7.842 1.00 0.00 O ATOM 506 CB THR A 38 -1.559 -3.280 10.197 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.064 -1.996 10.593 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.909 -4.098 11.431 1.00 0.00 C ATOM 0 H THR A 38 -0.700 -2.482 7.912 1.00 0.00 H new ATOM 0 HA THR A 38 0.352 -4.255 9.960 1.00 0.00 H new ATOM 0 HB THR A 38 -2.461 -3.153 9.599 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.739 -1.539 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.653 -3.564 12.022 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.313 -5.063 11.125 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.012 -4.253 12.031 1.00 0.00 H new ATOM 516 N SER A 39 -0.747 -6.420 9.379 1.00 0.00 N ATOM 517 CA SER A 39 -1.256 -7.715 8.944 1.00 0.00 C ATOM 518 C SER A 39 -2.529 -8.081 9.702 1.00 0.00 C ATOM 519 O SER A 39 -2.808 -7.563 10.783 1.00 0.00 O ATOM 520 CB SER A 39 -0.196 -8.799 9.150 1.00 0.00 C ATOM 521 OG SER A 39 0.697 -8.855 8.052 1.00 0.00 O ATOM 0 H SER A 39 -0.096 -6.465 10.163 1.00 0.00 H new ATOM 0 HA SER A 39 -1.493 -7.646 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.361 -8.598 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.681 -9.767 9.278 1.00 0.00 H new ATOM 0 HG SER A 39 1.365 -9.554 8.209 1.00 0.00 H new ATOM 527 N PRO A 40 -3.319 -8.996 9.122 1.00 0.00 N ATOM 528 CA PRO A 40 -4.575 -9.453 9.724 1.00 0.00 C ATOM 529 C PRO A 40 -4.346 -10.299 10.972 1.00 0.00 C ATOM 530 O PRO A 40 -5.286 -10.617 11.699 1.00 0.00 O ATOM 531 CB PRO A 40 -5.214 -10.295 8.617 1.00 0.00 C ATOM 532 CG PRO A 40 -4.069 -10.759 7.785 1.00 0.00 C ATOM 533 CD PRO A 40 -3.048 -9.655 7.833 1.00 0.00 C ATOM 0 HA PRO A 40 -5.194 -8.620 10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.769 -11.137 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.918 -9.707 8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.656 -11.690 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.385 -10.954 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.031 -10.045 7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.162 -8.965 6.997 1.00 0.00 H new ATOM 541 N SER A 41 -3.090 -10.660 11.213 1.00 0.00 N ATOM 542 CA SER A 41 -2.737 -11.472 12.372 1.00 0.00 C ATOM 543 C SER A 41 -2.296 -10.593 13.538 1.00 0.00 C ATOM 544 O SER A 41 -2.337 -11.010 14.695 1.00 0.00 O ATOM 545 CB SER A 41 -1.624 -12.457 12.011 1.00 0.00 C ATOM 546 OG SER A 41 -0.491 -11.780 11.494 1.00 0.00 O ATOM 0 H SER A 41 -2.300 -10.403 10.621 1.00 0.00 H new ATOM 0 HA SER A 41 -3.622 -12.031 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.339 -13.028 12.895 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.992 -13.172 11.275 1.00 0.00 H new ATOM 0 HG SER A 41 0.207 -12.432 11.273 1.00 0.00 H new ATOM 552 N GLY A 42 -1.873 -9.372 13.224 1.00 0.00 N ATOM 553 CA GLY A 42 -1.429 -8.452 14.255 1.00 0.00 C ATOM 554 C GLY A 42 0.021 -8.045 14.084 1.00 0.00 C ATOM 555 O GLY A 42 0.636 -7.512 15.007 1.00 0.00 O ATOM 0 H GLY A 42 -1.830 -9.004 12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.057 -7.562 14.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.560 -8.916 15.233 1.00 0.00 H new ATOM 559 N ARG A 43 0.570 -8.299 12.900 1.00 0.00 N ATOM 560 CA ARG A 43 1.958 -7.958 12.613 1.00 0.00 C ATOM 561 C ARG A 43 2.039 -6.757 11.676 1.00 0.00 C ATOM 562 O ARG A 43 1.637 -6.833 10.514 1.00 0.00 O ATOM 563 CB ARG A 43 2.680 -9.154 11.990 1.00 0.00 C ATOM 564 CG ARG A 43 4.122 -8.863 11.608 1.00 0.00 C ATOM 565 CD ARG A 43 4.587 -9.753 10.466 1.00 0.00 C ATOM 566 NE ARG A 43 5.127 -11.022 10.946 1.00 0.00 N ATOM 567 CZ ARG A 43 5.994 -11.758 10.260 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.417 -11.353 9.070 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.440 -12.902 10.764 1.00 0.00 N ATOM 0 H ARG A 43 0.075 -8.740 12.125 1.00 0.00 H new ATOM 0 HA ARG A 43 2.445 -7.698 13.553 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.660 -9.986 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.135 -9.474 11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.218 -7.817 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.766 -9.014 12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.751 -9.946 9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.349 -9.231 9.887 1.00 0.00 H new ATOM 0 HE ARG A 43 4.822 -11.362 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.076 -10.474 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.083 -11.920 8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.117 -13.217 11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.106 -13.467 10.236 1.00 0.00 H new ATOM 583 N VAL A 44 2.562 -5.647 12.188 1.00 0.00 N ATOM 584 CA VAL A 44 2.697 -4.430 11.398 1.00 0.00 C ATOM 585 C VAL A 44 4.164 -4.062 11.202 1.00 0.00 C ATOM 586 O VAL A 44 4.968 -4.150 12.131 1.00 0.00 O ATOM 587 CB VAL A 44 1.966 -3.247 12.059 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.484 -3.021 13.472 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.121 -1.988 11.219 1.00 0.00 C ATOM 0 H VAL A 44 2.899 -5.566 13.147 1.00 0.00 H new ATOM 0 HA VAL A 44 2.243 -4.631 10.428 1.00 0.00 H new ATOM 0 HB VAL A 44 0.905 -3.487 12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.956 -2.181 13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.317 -3.918 14.069 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.551 -2.802 13.438 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.598 -1.162 11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.179 -1.742 11.124 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.698 -2.157 10.229 1.00 0.00 H new ATOM 599 N THR A 45 4.507 -3.647 9.986 1.00 0.00 N ATOM 600 CA THR A 45 5.877 -3.265 9.667 1.00 0.00 C ATOM 601 C THR A 45 5.937 -1.848 9.109 1.00 0.00 C ATOM 602 O THR A 45 4.908 -1.247 8.805 1.00 0.00 O ATOM 603 CB THR A 45 6.507 -4.233 8.648 1.00 0.00 C ATOM 604 OG1 THR A 45 5.501 -4.731 7.759 1.00 0.00 O ATOM 605 CG2 THR A 45 7.186 -5.397 9.355 1.00 0.00 C ATOM 0 H THR A 45 3.854 -3.567 9.206 1.00 0.00 H new ATOM 0 HA THR A 45 6.443 -3.310 10.598 1.00 0.00 H new ATOM 0 HB THR A 45 7.258 -3.686 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.910 -5.344 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.623 -6.067 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.971 -5.017 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.451 -5.941 9.948 1.00 0.00 H new ATOM 613 N GLU A 46 7.150 -1.320 8.977 1.00 0.00 N ATOM 614 CA GLU A 46 7.343 0.027 8.454 1.00 0.00 C ATOM 615 C GLU A 46 7.538 0.002 6.941 1.00 0.00 C ATOM 616 O GLU A 46 8.370 -0.742 6.424 1.00 0.00 O ATOM 617 CB GLU A 46 8.549 0.690 9.124 1.00 0.00 C ATOM 618 CG GLU A 46 8.835 2.092 8.613 1.00 0.00 C ATOM 619 CD GLU A 46 10.269 2.520 8.855 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.573 2.966 9.982 1.00 0.00 O ATOM 621 OE2 GLU A 46 11.088 2.411 7.919 1.00 0.00 O ATOM 0 H GLU A 46 8.013 -1.804 9.225 1.00 0.00 H new ATOM 0 HA GLU A 46 6.447 0.607 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.378 0.732 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.430 0.068 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.622 2.136 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.162 2.797 9.101 1.00 0.00 H new ATOM 628 N ALA A 47 6.763 0.821 6.237 1.00 0.00 N ATOM 629 CA ALA A 47 6.850 0.894 4.784 1.00 0.00 C ATOM 630 C ALA A 47 7.755 2.040 4.345 1.00 0.00 C ATOM 631 O ALA A 47 7.955 3.002 5.085 1.00 0.00 O ATOM 632 CB ALA A 47 5.463 1.053 4.179 1.00 0.00 C ATOM 0 H ALA A 47 6.068 1.443 6.650 1.00 0.00 H new ATOM 0 HA ALA A 47 7.287 -0.038 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.544 1.106 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.845 0.199 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.005 1.968 4.554 1.00 0.00 H new ATOM 638 N GLU A 48 8.300 1.928 3.138 1.00 0.00 N ATOM 639 CA GLU A 48 9.186 2.956 2.602 1.00 0.00 C ATOM 640 C GLU A 48 8.465 3.806 1.560 1.00 0.00 C ATOM 641 O GLU A 48 7.771 3.282 0.688 1.00 0.00 O ATOM 642 CB GLU A 48 10.430 2.316 1.983 1.00 0.00 C ATOM 643 CG GLU A 48 11.298 3.296 1.211 1.00 0.00 C ATOM 644 CD GLU A 48 12.741 2.841 1.109 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.968 1.626 0.930 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.643 3.699 1.207 1.00 0.00 O ATOM 0 H GLU A 48 8.144 1.137 2.513 1.00 0.00 H new ATOM 0 HA GLU A 48 9.491 3.603 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.026 1.861 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.121 1.513 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.890 3.426 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.262 4.270 1.698 1.00 0.00 H new ATOM 653 N ILE A 49 8.634 5.120 1.658 1.00 0.00 N ATOM 654 CA ILE A 49 8.001 6.043 0.724 1.00 0.00 C ATOM 655 C ILE A 49 8.995 6.535 -0.322 1.00 0.00 C ATOM 656 O ILE A 49 9.719 7.506 -0.099 1.00 0.00 O ATOM 657 CB ILE A 49 7.398 7.258 1.455 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.446 6.795 2.559 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.675 8.163 0.469 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.153 7.862 3.590 1.00 0.00 C ATOM 0 H ILE A 49 9.204 5.570 2.375 1.00 0.00 H new ATOM 0 HA ILE A 49 7.201 5.492 0.230 1.00 0.00 H new ATOM 0 HB ILE A 49 8.207 7.826 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.509 6.471 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.876 5.927 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.254 9.017 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.379 8.515 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.873 7.606 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.472 7.464 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.082 8.170 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.693 8.722 3.103 1.00 0.00 H new ATOM 672 N VAL A 50 9.024 5.860 -1.467 1.00 0.00 N ATOM 673 CA VAL A 50 9.927 6.229 -2.550 1.00 0.00 C ATOM 674 C VAL A 50 9.473 7.516 -3.229 1.00 0.00 C ATOM 675 O VAL A 50 8.287 7.727 -3.486 1.00 0.00 O ATOM 676 CB VAL A 50 10.025 5.112 -3.605 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.006 5.497 -4.702 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.431 3.798 -2.954 1.00 0.00 C ATOM 0 H VAL A 50 8.432 5.054 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 50 10.909 6.384 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 50 9.043 4.979 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.062 4.695 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.668 6.413 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.992 5.660 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.495 3.020 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.402 3.915 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.687 3.516 -2.209 1.00 0.00 H new ATOM 688 N PRO A 51 10.437 8.399 -3.530 1.00 0.00 N ATOM 689 CA PRO A 51 10.160 9.681 -4.185 1.00 0.00 C ATOM 690 C PRO A 51 9.730 9.509 -5.637 1.00 0.00 C ATOM 691 O PRO A 51 10.459 8.936 -6.447 1.00 0.00 O ATOM 692 CB PRO A 51 11.501 10.415 -4.108 1.00 0.00 C ATOM 693 CG PRO A 51 12.521 9.333 -4.019 1.00 0.00 C ATOM 694 CD PRO A 51 11.871 8.214 -3.253 1.00 0.00 C ATOM 0 HA PRO A 51 9.338 10.214 -3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.662 11.039 -4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.544 11.072 -3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.826 9.001 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.419 9.684 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.223 7.239 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.086 8.279 -2.186 1.00 0.00 H new ATOM 702 N MET A 52 8.541 10.008 -5.961 1.00 0.00 N ATOM 703 CA MET A 52 8.015 9.910 -7.317 1.00 0.00 C ATOM 704 C MET A 52 8.074 11.262 -8.022 1.00 0.00 C ATOM 705 O MET A 52 8.294 11.333 -9.231 1.00 0.00 O ATOM 706 CB MET A 52 6.574 9.397 -7.293 1.00 0.00 C ATOM 707 CG MET A 52 6.467 7.894 -7.096 1.00 0.00 C ATOM 708 SD MET A 52 4.970 7.203 -7.826 1.00 0.00 S ATOM 709 CE MET A 52 5.658 5.887 -8.828 1.00 0.00 C ATOM 0 H MET A 52 7.924 10.484 -5.303 1.00 0.00 H new ATOM 0 HA MET A 52 8.635 9.204 -7.870 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.031 9.900 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.085 9.668 -8.229 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.338 7.411 -7.538 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.484 7.669 -6.030 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.853 5.364 -9.344 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.345 6.309 -9.561 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.195 5.186 -8.189 1.00 0.00 H new ATOM 719 N GLY A 53 7.876 12.332 -7.259 1.00 0.00 N ATOM 720 CA GLY A 53 7.911 13.666 -7.828 1.00 0.00 C ATOM 721 C GLY A 53 7.736 14.748 -6.781 1.00 0.00 C ATOM 722 O GLY A 53 8.000 14.528 -5.599 1.00 0.00 O ATOM 0 H GLY A 53 7.692 12.299 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.860 13.813 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.125 13.759 -8.577 1.00 0.00 H new ATOM 726 N LYS A 54 7.291 15.923 -7.215 1.00 0.00 N ATOM 727 CA LYS A 54 7.081 17.044 -6.307 1.00 0.00 C ATOM 728 C LYS A 54 6.036 16.701 -5.250 1.00 0.00 C ATOM 729 O LYS A 54 6.299 16.792 -4.052 1.00 0.00 O ATOM 730 CB LYS A 54 6.642 18.284 -7.089 1.00 0.00 C ATOM 731 CG LYS A 54 7.711 18.824 -8.023 1.00 0.00 C ATOM 732 CD LYS A 54 7.576 20.325 -8.218 1.00 0.00 C ATOM 733 CE LYS A 54 8.449 20.820 -9.361 1.00 0.00 C ATOM 734 NZ LYS A 54 9.889 20.857 -8.983 1.00 0.00 N ATOM 0 H LYS A 54 7.069 16.123 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 54 8.025 17.253 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.753 18.041 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.358 19.066 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.697 18.596 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.639 18.323 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.534 20.574 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.854 20.839 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.317 20.170 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.126 21.817 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.451 21.200 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.019 21.497 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.204 19.901 -8.723 1.00 0.00 H new ATOM 748 N ASN A 55 4.851 16.305 -5.703 1.00 0.00 N ATOM 749 CA ASN A 55 3.767 15.946 -4.795 1.00 0.00 C ATOM 750 C ASN A 55 3.328 14.502 -5.016 1.00 0.00 C ATOM 751 O ASN A 55 2.150 14.173 -4.876 1.00 0.00 O ATOM 752 CB ASN A 55 2.578 16.889 -4.991 1.00 0.00 C ATOM 753 CG ASN A 55 2.358 17.248 -6.448 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.448 16.393 -7.330 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.070 18.518 -6.707 1.00 0.00 N ATOM 0 H ASN A 55 4.617 16.225 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 55 4.134 16.042 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.677 16.420 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.742 17.800 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.913 18.819 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.006 19.192 -5.944 1.00 0.00 H new ATOM 762 N SER A 56 4.283 13.645 -5.361 1.00 0.00 N ATOM 763 CA SER A 56 3.994 12.236 -5.604 1.00 0.00 C ATOM 764 C SER A 56 4.745 11.349 -4.615 1.00 0.00 C ATOM 765 O SER A 56 5.866 11.661 -4.211 1.00 0.00 O ATOM 766 CB SER A 56 4.373 11.856 -7.037 1.00 0.00 C ATOM 767 OG SER A 56 3.726 10.660 -7.435 1.00 0.00 O ATOM 0 H SER A 56 5.263 13.901 -5.479 1.00 0.00 H new ATOM 0 HA SER A 56 2.924 12.080 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.100 12.664 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.453 11.730 -7.110 1.00 0.00 H new ATOM 0 HG SER A 56 3.983 10.439 -8.355 1.00 0.00 H new ATOM 773 N HIS A 57 4.119 10.243 -4.229 1.00 0.00 N ATOM 774 CA HIS A 57 4.727 9.309 -3.287 1.00 0.00 C ATOM 775 C HIS A 57 4.283 7.878 -3.578 1.00 0.00 C ATOM 776 O HIS A 57 3.141 7.641 -3.975 1.00 0.00 O ATOM 777 CB HIS A 57 4.360 9.688 -1.852 1.00 0.00 C ATOM 778 CG HIS A 57 4.139 11.156 -1.658 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.164 12.078 -1.654 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.000 11.862 -1.462 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.666 13.287 -1.463 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.355 13.183 -1.344 1.00 0.00 N ATOM 0 H HIS A 57 3.191 9.971 -4.553 1.00 0.00 H new ATOM 0 HA HIS A 57 5.809 9.366 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.456 9.152 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.154 9.357 -1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.999 11.461 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.234 14.204 -1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.711 13.958 -1.189 1.00 0.00 H new ATOM 791 N CYS A 58 5.191 6.930 -3.378 1.00 0.00 N ATOM 792 CA CYS A 58 4.894 5.523 -3.620 1.00 0.00 C ATOM 793 C CYS A 58 5.294 4.669 -2.422 1.00 0.00 C ATOM 794 O CYS A 58 6.352 4.873 -1.826 1.00 0.00 O ATOM 795 CB CYS A 58 5.619 5.035 -4.875 1.00 0.00 C ATOM 796 SG CYS A 58 4.805 3.652 -5.707 1.00 0.00 S ATOM 0 H CYS A 58 6.139 7.110 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 58 3.819 5.425 -3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.708 5.865 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.632 4.737 -4.604 1.00 0.00 H new ATOM 0 HG CYS A 58 5.492 3.313 -6.757 1.00 0.00 H new ATOM 802 N VAL A 59 4.441 3.712 -2.072 1.00 0.00 N ATOM 803 CA VAL A 59 4.705 2.826 -0.944 1.00 0.00 C ATOM 804 C VAL A 59 5.004 1.408 -1.417 1.00 0.00 C ATOM 805 O VAL A 59 4.142 0.737 -1.985 1.00 0.00 O ATOM 806 CB VAL A 59 3.514 2.790 0.032 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.853 1.955 1.258 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.111 4.201 0.433 1.00 0.00 C ATOM 0 H VAL A 59 3.560 3.530 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 59 5.577 3.224 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 59 2.667 2.324 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.000 1.941 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.089 0.936 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.714 2.389 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.268 4.157 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.952 4.695 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.824 4.764 -0.455 1.00 0.00 H new ATOM 818 N ARG A 60 6.231 0.957 -1.178 1.00 0.00 N ATOM 819 CA ARG A 60 6.645 -0.382 -1.581 1.00 0.00 C ATOM 820 C ARG A 60 6.763 -1.301 -0.369 1.00 0.00 C ATOM 821 O ARG A 60 7.451 -0.982 0.601 1.00 0.00 O ATOM 822 CB ARG A 60 7.981 -0.325 -2.323 1.00 0.00 C ATOM 823 CG ARG A 60 7.835 -0.137 -3.825 1.00 0.00 C ATOM 824 CD ARG A 60 9.183 -0.199 -4.527 1.00 0.00 C ATOM 825 NE ARG A 60 9.056 -0.023 -5.971 1.00 0.00 N ATOM 826 CZ ARG A 60 8.963 1.164 -6.562 1.00 0.00 C ATOM 827 NH1 ARG A 60 8.982 2.273 -5.835 1.00 0.00 N ATOM 828 NH2 ARG A 60 8.850 1.242 -7.881 1.00 0.00 N ATOM 0 H ARG A 60 6.956 1.499 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 60 5.884 -0.785 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.577 0.493 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.533 -1.246 -2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.178 -0.908 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.361 0.823 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.838 0.574 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.656 -1.159 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 60 9.038 -0.857 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.068 2.216 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.911 3.183 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.834 0.391 -8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.779 2.153 -8.334 1.00 0.00 H new ATOM 842 N PHE A 61 6.088 -2.444 -0.431 1.00 0.00 N ATOM 843 CA PHE A 61 6.116 -3.409 0.662 1.00 0.00 C ATOM 844 C PHE A 61 5.780 -4.810 0.159 1.00 0.00 C ATOM 845 O PHE A 61 5.167 -4.973 -0.896 1.00 0.00 O ATOM 846 CB PHE A 61 5.132 -2.999 1.759 1.00 0.00 C ATOM 847 CG PHE A 61 3.720 -2.843 1.270 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.913 -3.953 1.077 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.201 -1.587 1.002 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.614 -3.813 0.627 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.902 -1.441 0.553 1.00 0.00 C ATOM 852 CZ PHE A 61 1.108 -2.555 0.364 1.00 0.00 C ATOM 0 H PHE A 61 5.515 -2.725 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 61 7.124 -3.422 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.153 -3.746 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.462 -2.058 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.304 -4.939 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.818 -0.712 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.995 -4.686 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.508 -0.456 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.093 -2.443 0.011 1.00 0.00 H new ATOM 862 N VAL A 62 6.186 -5.820 0.922 1.00 0.00 N ATOM 863 CA VAL A 62 5.928 -7.207 0.555 1.00 0.00 C ATOM 864 C VAL A 62 4.778 -7.786 1.371 1.00 0.00 C ATOM 865 O VAL A 62 4.937 -8.172 2.529 1.00 0.00 O ATOM 866 CB VAL A 62 7.178 -8.083 0.758 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.925 -9.499 0.262 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.379 -7.470 0.053 1.00 0.00 C ATOM 0 H VAL A 62 6.695 -5.703 1.798 1.00 0.00 H new ATOM 0 HA VAL A 62 5.659 -7.210 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 62 7.397 -8.131 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.820 -10.103 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.094 -9.936 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.680 -9.474 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.253 -8.102 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.173 -7.390 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.573 -6.478 0.460 1.00 0.00 H new ATOM 878 N PRO A 63 3.588 -7.850 0.754 1.00 0.00 N ATOM 879 CA PRO A 63 2.387 -8.382 1.404 1.00 0.00 C ATOM 880 C PRO A 63 2.465 -9.889 1.622 1.00 0.00 C ATOM 881 O PRO A 63 3.490 -10.512 1.348 1.00 0.00 O ATOM 882 CB PRO A 63 1.268 -8.041 0.416 1.00 0.00 C ATOM 883 CG PRO A 63 1.948 -7.944 -0.906 1.00 0.00 C ATOM 884 CD PRO A 63 3.325 -7.408 -0.626 1.00 0.00 C ATOM 0 HA PRO A 63 2.240 -7.959 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.497 -8.812 0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.779 -7.103 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.000 -8.919 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.401 -7.283 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.061 -7.808 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.359 -6.322 -0.714 1.00 0.00 H new ATOM 892 N GLN A 64 1.374 -10.468 2.114 1.00 0.00 N ATOM 893 CA GLN A 64 1.321 -11.903 2.368 1.00 0.00 C ATOM 894 C GLN A 64 0.303 -12.580 1.456 1.00 0.00 C ATOM 895 O GLN A 64 -0.439 -11.912 0.736 1.00 0.00 O ATOM 896 CB GLN A 64 0.968 -12.170 3.833 1.00 0.00 C ATOM 897 CG GLN A 64 2.097 -11.849 4.798 1.00 0.00 C ATOM 898 CD GLN A 64 3.387 -12.565 4.448 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.701 -13.613 5.013 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.142 -12.002 3.513 1.00 0.00 N ATOM 0 H GLN A 64 0.516 -9.966 2.344 1.00 0.00 H new ATOM 0 HA GLN A 64 2.305 -12.321 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.093 -11.578 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.691 -13.218 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.272 -10.773 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.795 -12.125 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.843 -11.133 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.021 -12.438 3.236 1.00 0.00 H new ATOM 909 N GLU A 65 0.273 -13.908 1.493 1.00 0.00 N ATOM 910 CA GLU A 65 -0.654 -14.674 0.669 1.00 0.00 C ATOM 911 C GLU A 65 -2.027 -14.758 1.329 1.00 0.00 C ATOM 912 O GLU A 65 -2.137 -15.018 2.527 1.00 0.00 O ATOM 913 CB GLU A 65 -0.108 -16.082 0.421 1.00 0.00 C ATOM 914 CG GLU A 65 -0.048 -16.940 1.674 1.00 0.00 C ATOM 915 CD GLU A 65 0.870 -18.137 1.517 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.072 -17.932 1.251 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.385 -19.279 1.660 1.00 0.00 O ATOM 0 H GLU A 65 0.880 -14.476 2.085 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.760 -14.160 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.733 -16.580 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.892 -16.005 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.295 -16.331 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.052 -17.286 1.921 1.00 0.00 H new ATOM 924 N MET A 66 -3.072 -14.536 0.538 1.00 0.00 N ATOM 925 CA MET A 66 -4.438 -14.587 1.045 1.00 0.00 C ATOM 926 C MET A 66 -4.554 -13.846 2.373 1.00 0.00 C ATOM 927 O MET A 66 -5.127 -14.359 3.333 1.00 0.00 O ATOM 928 CB MET A 66 -4.887 -16.040 1.217 1.00 0.00 C ATOM 929 CG MET A 66 -4.301 -16.984 0.180 1.00 0.00 C ATOM 930 SD MET A 66 -4.756 -16.532 -1.506 1.00 0.00 S ATOM 931 CE MET A 66 -3.142 -16.236 -2.224 1.00 0.00 C ATOM 0 H MET A 66 -2.999 -14.319 -0.456 1.00 0.00 H new ATOM 0 HA MET A 66 -5.087 -14.097 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.603 -16.384 2.211 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.975 -16.084 1.163 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.215 -16.988 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.642 -17.999 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.133 -16.587 -3.256 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.924 -15.168 -2.202 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.385 -16.773 -1.652 1.00 0.00 H new ATOM 941 N GLY A 67 -4.004 -12.636 2.420 1.00 0.00 N ATOM 942 CA GLY A 67 -4.056 -11.845 3.636 1.00 0.00 C ATOM 943 C GLY A 67 -4.380 -10.389 3.366 1.00 0.00 C ATOM 944 O GLY A 67 -3.855 -9.792 2.426 1.00 0.00 O ATOM 0 H GLY A 67 -3.524 -12.190 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.807 -12.263 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.097 -11.912 4.151 1.00 0.00 H new ATOM 948 N VAL A 68 -5.249 -9.815 4.193 1.00 0.00 N ATOM 949 CA VAL A 68 -5.642 -8.419 4.039 1.00 0.00 C ATOM 950 C VAL A 68 -4.823 -7.513 4.950 1.00 0.00 C ATOM 951 O VAL A 68 -4.862 -7.645 6.174 1.00 0.00 O ATOM 952 CB VAL A 68 -7.139 -8.221 4.347 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.598 -6.842 3.901 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.968 -9.310 3.683 1.00 0.00 C ATOM 0 H VAL A 68 -5.694 -10.295 4.976 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.453 -8.150 3.000 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.283 -8.294 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.657 -6.721 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.025 -6.080 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.441 -6.736 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.022 -9.155 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.821 -9.272 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.656 -10.285 4.058 1.00 0.00 H new ATOM 964 N HIS A 69 -4.079 -6.592 4.346 1.00 0.00 N ATOM 965 CA HIS A 69 -3.250 -5.661 5.104 1.00 0.00 C ATOM 966 C HIS A 69 -3.840 -4.255 5.068 1.00 0.00 C ATOM 967 O HIS A 69 -4.626 -3.921 4.181 1.00 0.00 O ATOM 968 CB HIS A 69 -1.826 -5.644 4.546 1.00 0.00 C ATOM 969 CG HIS A 69 -1.235 -7.009 4.372 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.789 -7.970 3.553 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.129 -7.570 4.915 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.051 -9.065 3.602 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.037 -8.848 4.421 1.00 0.00 N ATOM 0 H HIS A 69 -4.033 -6.470 3.334 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.223 -5.998 6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.828 -5.132 3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.190 -5.064 5.214 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.636 -7.854 2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.554 -7.100 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.244 -9.981 3.064 1.00 0.00 H new ATOM 982 N THR A 70 -3.456 -3.432 6.040 1.00 0.00 N ATOM 983 CA THR A 70 -3.948 -2.063 6.121 1.00 0.00 C ATOM 984 C THR A 70 -2.796 -1.069 6.207 1.00 0.00 C ATOM 985 O THR A 70 -1.894 -1.217 7.032 1.00 0.00 O ATOM 986 CB THR A 70 -4.870 -1.869 7.340 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.596 -3.075 7.602 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.845 -0.725 7.104 1.00 0.00 C ATOM 0 H THR A 70 -2.806 -3.691 6.782 1.00 0.00 H new ATOM 0 HA THR A 70 -4.517 -1.877 5.210 1.00 0.00 H new ATOM 0 HB THR A 70 -4.249 -1.625 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.178 -2.944 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.486 -0.607 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.289 0.197 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.459 -0.945 6.231 1.00 0.00 H new ATOM 996 N VAL A 71 -2.831 -0.054 5.348 1.00 0.00 N ATOM 997 CA VAL A 71 -1.789 0.966 5.328 1.00 0.00 C ATOM 998 C VAL A 71 -2.179 2.166 6.185 1.00 0.00 C ATOM 999 O VAL A 71 -3.037 2.962 5.804 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.502 1.446 3.893 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.224 2.271 3.852 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.412 0.261 2.943 1.00 0.00 C ATOM 0 H VAL A 71 -3.569 0.083 4.658 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.889 0.508 5.737 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.327 2.081 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.037 2.602 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.331 3.140 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.613 1.663 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.209 0.619 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.607 -0.401 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.356 -0.285 2.952 1.00 0.00 H new ATOM 1012 N SER A 72 -1.541 2.289 7.345 1.00 0.00 N ATOM 1013 CA SER A 72 -1.823 3.390 8.259 1.00 0.00 C ATOM 1014 C SER A 72 -0.900 4.574 7.984 1.00 0.00 C ATOM 1015 O SER A 72 0.263 4.575 8.386 1.00 0.00 O ATOM 1016 CB SER A 72 -1.664 2.930 9.709 1.00 0.00 C ATOM 1017 OG SER A 72 -2.399 1.743 9.952 1.00 0.00 O ATOM 0 H SER A 72 -0.826 1.640 7.674 1.00 0.00 H new ATOM 0 HA SER A 72 -2.853 3.709 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.610 2.759 9.926 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.005 3.716 10.383 1.00 0.00 H new ATOM 0 HG SER A 72 -2.279 1.469 10.885 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.429 5.581 7.296 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.654 6.772 6.968 1.00 0.00 C ATOM 1025 C VAL A 73 -1.150 7.982 7.750 1.00 0.00 C ATOM 1026 O VAL A 73 -2.143 8.610 7.382 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.720 7.086 5.461 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.148 8.467 5.179 1.00 0.00 C ATOM 1029 CG2 VAL A 73 0.017 6.021 4.663 1.00 0.00 C ATOM 0 H VAL A 73 -2.390 5.596 6.955 1.00 0.00 H new ATOM 0 HA VAL A 73 0.380 6.564 7.244 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.765 7.081 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.203 8.672 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.723 9.217 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.892 8.503 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.040 6.258 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.062 5.992 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.442 5.049 4.843 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.451 8.307 8.833 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.818 9.444 9.669 1.00 0.00 C ATOM 1041 C LYS A 74 0.066 10.649 9.365 1.00 0.00 C ATOM 1042 O LYS A 74 1.168 10.505 8.835 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.703 9.073 11.149 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.970 8.466 11.725 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.984 8.537 13.242 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.404 8.586 13.786 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.467 9.260 15.112 1.00 0.00 N ATOM 0 H LYS A 74 0.373 7.798 9.152 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.852 9.709 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.118 8.367 11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.446 9.965 11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.839 8.991 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.053 7.426 11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.466 7.670 13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.437 9.421 13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.045 9.113 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.794 7.572 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.451 9.273 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.875 8.743 15.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.119 10.236 15.022 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.423 11.836 9.706 1.00 0.00 N ATOM 1062 CA TYR A 75 0.323 13.067 9.469 1.00 0.00 C ATOM 1063 C TYR A 75 0.227 14.002 10.671 1.00 0.00 C ATOM 1064 O TYR A 75 -0.807 14.629 10.903 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.201 13.772 8.217 1.00 0.00 C ATOM 1066 CG TYR A 75 0.291 15.194 8.072 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.541 15.466 7.529 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.493 16.267 8.480 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.995 16.763 7.396 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.047 17.568 8.349 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.198 17.811 7.807 1.00 0.00 C ATOM 1072 OH TYR A 75 1.646 19.105 7.676 1.00 0.00 O ATOM 0 H TYR A 75 -1.332 11.972 10.147 1.00 0.00 H new ATOM 0 HA TYR A 75 1.370 12.804 9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.098 13.202 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.291 13.774 8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.168 14.649 7.205 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.467 16.080 8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.969 16.956 6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.670 18.390 8.669 1.00 0.00 H new ATOM 0 HH TYR A 75 0.964 19.723 8.012 1.00 0.00 H new ATOM 1082 N ARG A 76 1.313 14.090 11.431 1.00 0.00 N ATOM 1083 CA ARG A 76 1.353 14.948 12.610 1.00 0.00 C ATOM 1084 C ARG A 76 0.261 14.559 13.602 1.00 0.00 C ATOM 1085 O ARG A 76 -0.354 15.418 14.232 1.00 0.00 O ATOM 1086 CB ARG A 76 1.191 16.414 12.205 1.00 0.00 C ATOM 1087 CG ARG A 76 2.474 17.052 11.699 1.00 0.00 C ATOM 1088 CD ARG A 76 2.480 18.554 11.935 1.00 0.00 C ATOM 1089 NE ARG A 76 2.366 18.886 13.352 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.695 20.069 13.859 1.00 0.00 C ATOM 1091 NH1 ARG A 76 3.156 21.028 13.068 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.562 20.295 15.160 1.00 0.00 N ATOM 0 H ARG A 76 2.177 13.578 11.252 1.00 0.00 H new ATOM 0 HA ARG A 76 2.322 14.816 13.092 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.429 16.485 11.429 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.827 16.981 13.062 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.329 16.600 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.587 16.849 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.401 18.980 11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.655 19.010 11.388 1.00 0.00 H new ATOM 0 HE ARG A 76 2.014 18.170 13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.259 20.858 12.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.408 21.935 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.207 19.560 15.772 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.815 21.204 15.548 1.00 0.00 H new ATOM 1106 N GLY A 77 0.026 13.257 13.736 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.992 12.777 14.652 1.00 0.00 C ATOM 1108 C GLY A 77 -2.396 12.997 14.126 1.00 0.00 C ATOM 1109 O GLY A 77 -3.303 13.338 14.884 1.00 0.00 O ATOM 0 H GLY A 77 0.523 12.526 13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.839 11.714 14.836 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.883 13.285 15.610 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.576 12.803 12.823 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.879 12.985 12.196 1.00 0.00 C ATOM 1115 C GLN A 78 -3.966 12.211 10.885 1.00 0.00 C ATOM 1116 O GLN A 78 -3.334 12.578 9.893 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.145 14.470 11.945 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.362 15.273 13.217 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.914 16.659 12.945 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.910 17.129 11.807 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.392 17.322 13.992 1.00 0.00 N ATOM 0 H GLN A 78 -1.835 12.520 12.182 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.638 12.597 12.876 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.303 14.894 11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.023 14.570 11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.049 14.734 13.870 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.417 15.361 13.752 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.375 16.894 14.918 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.776 18.259 13.870 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.751 11.138 10.886 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.920 10.313 9.696 1.00 0.00 C ATOM 1132 C HIS A 79 -5.365 11.159 8.507 1.00 0.00 C ATOM 1133 O HIS A 79 -6.261 11.994 8.627 1.00 0.00 O ATOM 1134 CB HIS A 79 -5.940 9.205 9.959 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.347 7.982 10.588 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.401 7.197 9.963 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.570 7.410 11.794 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.069 6.195 10.757 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.764 6.302 11.875 1.00 0.00 N ATOM 0 H HIS A 79 -5.280 10.820 11.698 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.957 9.861 9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.726 9.592 10.607 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.412 8.926 9.017 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.255 7.760 12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.351 5.420 10.531 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.710 5.665 12.670 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.731 10.938 7.359 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.062 11.679 6.148 1.00 0.00 C ATOM 1150 C VAL A 80 -6.305 11.108 5.476 1.00 0.00 C ATOM 1151 O VAL A 80 -6.870 10.113 5.932 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.895 11.662 5.143 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.659 12.310 5.749 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.597 10.238 4.698 1.00 0.00 C ATOM 0 H VAL A 80 -3.985 10.252 7.243 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.257 12.708 6.450 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.185 12.240 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.845 12.289 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.883 13.344 6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.363 11.763 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.770 10.244 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.327 9.635 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.481 9.813 4.222 1.00 0.00 H new ATOM 1164 N THR A 81 -6.728 11.744 4.388 1.00 0.00 N ATOM 1165 CA THR A 81 -7.906 11.300 3.653 1.00 0.00 C ATOM 1166 C THR A 81 -7.645 9.974 2.947 1.00 0.00 C ATOM 1167 O THR A 81 -6.615 9.797 2.299 1.00 0.00 O ATOM 1168 CB THR A 81 -8.345 12.346 2.611 1.00 0.00 C ATOM 1169 OG1 THR A 81 -9.735 12.184 2.309 1.00 0.00 O ATOM 1170 CG2 THR A 81 -7.526 12.216 1.335 1.00 0.00 C ATOM 0 H THR A 81 -6.272 12.568 3.996 1.00 0.00 H new ATOM 0 HA THR A 81 -8.704 11.169 4.384 1.00 0.00 H new ATOM 0 HB THR A 81 -8.178 13.337 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.006 12.854 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.854 12.965 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.471 12.369 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.665 11.221 0.913 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.587 9.045 3.076 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.441 7.747 2.444 1.00 0.00 C ATOM 1180 C GLY A 82 -7.729 6.746 3.333 1.00 0.00 C ATOM 1181 O GLY A 82 -7.930 5.539 3.205 1.00 0.00 O ATOM 0 H GLY A 82 -9.449 9.168 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.426 7.360 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.886 7.860 1.513 1.00 0.00 H new ATOM 1185 N SER A 83 -6.893 7.249 4.236 1.00 0.00 N ATOM 1186 CA SER A 83 -6.144 6.390 5.146 1.00 0.00 C ATOM 1187 C SER A 83 -6.914 6.174 6.446 1.00 0.00 C ATOM 1188 O SER A 83 -7.651 7.043 6.912 1.00 0.00 O ATOM 1189 CB SER A 83 -4.774 7.001 5.447 1.00 0.00 C ATOM 1190 OG SER A 83 -4.212 6.441 6.620 1.00 0.00 O ATOM 0 H SER A 83 -6.717 8.246 4.357 1.00 0.00 H new ATOM 0 HA SER A 83 -6.004 5.424 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.104 6.833 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.872 8.080 5.566 1.00 0.00 H new ATOM 0 HG SER A 83 -3.605 7.090 7.034 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.739 4.988 7.046 1.00 0.00 N ATOM 1197 CA PRO A 84 -5.864 3.946 6.499 1.00 0.00 C ATOM 1198 C PRO A 84 -6.425 3.328 5.223 1.00 0.00 C ATOM 1199 O PRO A 84 -7.639 3.189 5.070 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.812 2.904 7.619 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.078 3.101 8.380 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.383 4.571 8.303 1.00 0.00 C ATOM 0 HA PRO A 84 -4.887 4.340 6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.745 1.893 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.940 3.051 8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.888 2.511 7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.965 2.780 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.457 4.758 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.979 5.111 9.160 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.534 2.959 4.309 1.00 0.00 N ATOM 1211 CA PHE A 85 -5.941 2.357 3.044 1.00 0.00 C ATOM 1212 C PHE A 85 -5.929 0.834 3.139 1.00 0.00 C ATOM 1213 O PHE A 85 -4.868 0.217 3.231 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.017 2.817 1.915 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.054 4.299 1.676 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.017 4.856 0.849 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.128 5.135 2.278 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.053 6.220 0.626 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.160 6.500 2.059 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.124 7.043 1.233 1.00 0.00 C ATOM 0 H PHE A 85 -4.526 3.066 4.420 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.958 2.682 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.995 2.520 2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.296 2.302 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.747 4.218 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.372 4.716 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.807 6.642 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.432 7.141 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.152 8.109 1.062 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.115 0.236 3.115 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.241 -1.214 3.200 1.00 0.00 C ATOM 1232 C GLN A 86 -7.184 -1.847 1.813 1.00 0.00 C ATOM 1233 O GLN A 86 -7.760 -1.327 0.858 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.550 -1.594 3.893 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.533 -2.986 4.506 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.925 -3.542 4.730 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.523 -4.133 3.830 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.450 -3.356 5.935 1.00 0.00 N ATOM 0 H GLN A 86 -8.002 0.733 3.037 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.404 -1.592 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.763 -0.865 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.364 -1.534 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.978 -3.659 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.001 -2.954 5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.919 -2.861 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.384 -3.709 6.144 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.484 -2.972 1.710 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.350 -3.676 0.440 1.00 0.00 C ATOM 1249 C PHE A 87 -6.193 -5.177 0.664 1.00 0.00 C ATOM 1250 O PHE A 87 -5.622 -5.612 1.665 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.150 -3.137 -0.342 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.826 -3.488 0.275 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.288 -2.706 1.284 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.120 -4.599 -0.156 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.070 -3.027 1.854 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.902 -4.925 0.410 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.376 -4.137 1.416 1.00 0.00 C ATOM 0 H PHE A 87 -6.001 -3.416 2.491 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.258 -3.506 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.183 -3.529 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.232 -2.053 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.826 -1.836 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.526 -5.217 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.662 -2.410 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.362 -5.795 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.424 -4.389 1.859 1.00 0.00 H new ATOM 1267 N THR A 88 -6.704 -5.966 -0.276 1.00 0.00 N ATOM 1268 CA THR A 88 -6.623 -7.418 -0.183 1.00 0.00 C ATOM 1269 C THR A 88 -5.631 -7.980 -1.194 1.00 0.00 C ATOM 1270 O THR A 88 -5.580 -7.536 -2.341 1.00 0.00 O ATOM 1271 CB THR A 88 -7.998 -8.074 -0.411 1.00 0.00 C ATOM 1272 OG1 THR A 88 -8.974 -7.479 0.452 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.933 -9.572 -0.155 1.00 0.00 C ATOM 0 H THR A 88 -7.179 -5.623 -1.111 1.00 0.00 H new ATOM 0 HA THR A 88 -6.281 -7.650 0.825 1.00 0.00 H new ATOM 0 HB THR A 88 -8.285 -7.912 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.846 -7.900 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.916 -10.013 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.211 -10.026 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.625 -9.752 0.875 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.843 -8.959 -0.762 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.852 -9.584 -1.631 1.00 0.00 C ATOM 1283 C VAL A 89 -4.407 -10.849 -2.277 1.00 0.00 C ATOM 1284 O VAL A 89 -5.120 -11.622 -1.639 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.568 -9.935 -0.857 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.492 -10.437 -1.808 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.076 -8.732 -0.068 1.00 0.00 C ATOM 0 H VAL A 89 -4.871 -9.337 0.185 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.611 -8.859 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.796 -10.734 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.592 -10.680 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.849 -11.329 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.263 -9.662 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.168 -8.998 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.863 -7.910 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.844 -8.424 0.642 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.072 -11.054 -3.547 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.545 -12.228 -4.258 1.00 0.00 C ATOM 1299 C GLY A 90 -3.427 -13.199 -4.582 1.00 0.00 C ATOM 1300 O GLY A 90 -2.381 -13.214 -3.932 1.00 0.00 O ATOM 0 H GLY A 90 -3.482 -10.429 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.299 -12.735 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.032 -11.917 -5.183 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.643 -14.034 -5.609 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.657 -15.030 -6.040 1.00 0.00 C ATOM 1306 C PRO A 91 -1.434 -14.390 -6.690 1.00 0.00 C ATOM 1307 O PRO A 91 -1.545 -13.378 -7.382 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.426 -15.872 -7.061 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.488 -14.964 -7.578 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.866 -14.072 -6.428 1.00 0.00 C ATOM 0 HA PRO A 91 -2.265 -15.606 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.773 -16.215 -7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.856 -16.760 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.124 -14.379 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.349 -15.532 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.153 -13.077 -6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.711 -14.473 -5.869 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.269 -14.988 -6.464 1.00 0.00 N ATOM 1319 CA LEU A 92 0.975 -14.477 -7.028 1.00 0.00 C ATOM 1320 C LEU A 92 0.841 -14.258 -8.532 1.00 0.00 C ATOM 1321 O LEU A 92 1.607 -13.503 -9.130 1.00 0.00 O ATOM 1322 CB LEU A 92 2.124 -15.445 -6.742 1.00 0.00 C ATOM 1323 CG LEU A 92 2.225 -16.658 -7.668 1.00 0.00 C ATOM 1324 CD1 LEU A 92 2.981 -16.298 -8.937 1.00 0.00 C ATOM 1325 CD2 LEU A 92 2.901 -17.819 -6.953 1.00 0.00 C ATOM 0 H LEU A 92 -0.160 -15.827 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 92 1.191 -13.518 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.061 -14.892 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.025 -15.802 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 92 1.217 -16.966 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.043 -17.173 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.456 -15.498 -9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.986 -15.965 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.965 -18.674 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.904 -17.523 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.319 -18.093 -6.073 1.00 0.00 H new