USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 814 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 88 MET CE :methyl 178:sc= -1.07 (180deg=-0.26) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.75 K(o=-2.8,f=-14!) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -4.5! C(o=-3.5!,f=-12!) USER MOD Set 2.2: A 115 TYR OH : rot 42:sc= 0.955 USER MOD Single : A 17 GLN : amide:sc= -1.54! X(o=-1.5!,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 78:sc= 0.755 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0775 F(o=-1.2,f=-0.078) USER MOD Single : A 33 SER OG : rot -160:sc= 0.121 USER MOD Single : A 39 TYR OH : rot 60:sc= -1.95! USER MOD Single : A 44 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.1) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= -4.31! (180deg=-6.33!) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0306) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.082 (180deg=-0.565) USER MOD Single : A 63 MET CE :methyl -165:sc=-0.00539 (180deg=-0.0691) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -49:sc= 0.5 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.84! C(o=-3.4!,f=-2.8!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3.2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 98:sc= 0.115 USER MOD Single : A 121 TYR OH : rot -12:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.802 10.308 1.690 1.00 0.00 N ATOM 157 CA GLU A 11 -9.826 11.119 2.470 1.00 0.00 C ATOM 158 C GLU A 11 -8.736 10.202 3.031 1.00 0.00 C ATOM 159 O GLU A 11 -7.603 10.604 3.206 1.00 0.00 O ATOM 160 CB GLU A 11 -10.550 11.817 3.623 1.00 0.00 C ATOM 161 CG GLU A 11 -9.614 12.839 4.268 1.00 0.00 C ATOM 162 CD GLU A 11 -9.854 14.215 3.645 1.00 0.00 C ATOM 163 OE1 GLU A 11 -10.533 14.275 2.634 1.00 0.00 O ATOM 164 OE2 GLU A 11 -9.355 15.186 4.189 1.00 0.00 O ATOM 0 HA GLU A 11 -9.372 11.868 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.449 12.312 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.870 11.083 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.788 12.880 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.576 12.539 4.124 1.00 0.00 H new ATOM 171 N GLU A 12 -9.071 8.973 3.314 1.00 0.00 N ATOM 172 CA GLU A 12 -8.055 8.031 3.864 1.00 0.00 C ATOM 173 C GLU A 12 -7.017 7.717 2.785 1.00 0.00 C ATOM 174 O GLU A 12 -5.829 7.691 3.043 1.00 0.00 O ATOM 175 CB GLU A 12 -8.743 6.737 4.298 1.00 0.00 C ATOM 176 CG GLU A 12 -9.924 7.067 5.211 1.00 0.00 C ATOM 177 CD GLU A 12 -9.491 6.939 6.672 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.813 5.975 6.986 1.00 0.00 O ATOM 179 OE2 GLU A 12 -9.844 7.808 7.452 1.00 0.00 O ATOM 0 H GLU A 12 -10.004 8.580 3.188 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.563 8.487 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.089 6.186 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.035 6.094 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.279 8.078 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.755 6.392 5.007 1.00 0.00 H new ATOM 186 N LEU A 13 -7.456 7.476 1.581 1.00 0.00 N ATOM 187 CA LEU A 13 -6.496 7.160 0.487 1.00 0.00 C ATOM 188 C LEU A 13 -5.591 8.368 0.235 1.00 0.00 C ATOM 189 O LEU A 13 -4.390 8.298 0.396 1.00 0.00 O ATOM 190 CB LEU A 13 -7.273 6.831 -0.790 1.00 0.00 C ATOM 191 CG LEU A 13 -8.313 5.750 -0.489 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.266 5.613 -1.678 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.604 4.415 -0.250 1.00 0.00 C ATOM 0 H LEU A 13 -8.439 7.484 1.307 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.886 6.304 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.763 7.727 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.589 6.487 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.879 6.028 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.007 4.843 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.770 6.564 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.701 5.335 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.344 3.644 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.039 4.139 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.924 4.511 0.596 1.00 0.00 H new ATOM 205 N ILE A 14 -6.157 9.474 -0.163 1.00 0.00 N ATOM 206 CA ILE A 14 -5.328 10.684 -0.428 1.00 0.00 C ATOM 207 C ILE A 14 -4.398 10.945 0.760 1.00 0.00 C ATOM 208 O ILE A 14 -3.204 11.102 0.603 1.00 0.00 O ATOM 209 CB ILE A 14 -6.246 11.891 -0.631 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.884 11.817 -2.020 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.428 13.179 -0.515 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.179 12.633 -2.031 1.00 0.00 C ATOM 0 H ILE A 14 -7.158 9.592 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.729 10.523 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.027 11.886 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.193 12.201 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.093 10.780 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.081 14.039 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.971 13.232 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.648 13.184 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.634 12.581 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.870 12.228 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.956 13.672 -1.789 1.00 0.00 H new ATOM 224 N GLU A 15 -4.938 10.996 1.946 1.00 0.00 N ATOM 225 CA GLU A 15 -4.089 11.251 3.145 1.00 0.00 C ATOM 226 C GLU A 15 -2.817 10.403 3.074 1.00 0.00 C ATOM 227 O GLU A 15 -1.719 10.918 2.989 1.00 0.00 O ATOM 228 CB GLU A 15 -4.875 10.886 4.407 1.00 0.00 C ATOM 229 CG GLU A 15 -5.843 12.021 4.751 1.00 0.00 C ATOM 230 CD GLU A 15 -5.187 12.986 5.742 1.00 0.00 C ATOM 231 OE1 GLU A 15 -4.107 12.677 6.219 1.00 0.00 O ATOM 232 OE2 GLU A 15 -5.777 14.021 6.008 1.00 0.00 O ATOM 0 H GLU A 15 -5.932 10.872 2.138 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.814 12.305 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.426 9.959 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.191 10.713 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.127 12.555 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.758 11.612 5.180 1.00 0.00 H new ATOM 239 N ILE A 16 -2.953 9.106 3.116 1.00 0.00 N ATOM 240 CA ILE A 16 -1.749 8.230 3.058 1.00 0.00 C ATOM 241 C ILE A 16 -0.989 8.482 1.754 1.00 0.00 C ATOM 242 O ILE A 16 0.164 8.868 1.762 1.00 0.00 O ATOM 243 CB ILE A 16 -2.181 6.763 3.122 1.00 0.00 C ATOM 244 CG1 ILE A 16 -2.977 6.526 4.408 1.00 0.00 C ATOM 245 CG2 ILE A 16 -0.944 5.865 3.117 1.00 0.00 C ATOM 246 CD1 ILE A 16 -3.507 5.091 4.424 1.00 0.00 C ATOM 0 H ILE A 16 -3.844 8.616 3.188 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.099 8.456 3.903 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.802 6.528 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.343 6.700 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.806 7.232 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.252 4.821 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.374 6.036 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.322 6.098 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.074 4.923 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.155 4.933 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.670 4.394 4.382 1.00 0.00 H new ATOM 258 N GLN A 17 -1.622 8.267 0.633 1.00 0.00 N ATOM 259 CA GLN A 17 -0.933 8.495 -0.668 1.00 0.00 C ATOM 260 C GLN A 17 0.001 9.702 -0.549 1.00 0.00 C ATOM 261 O GLN A 17 1.064 9.735 -1.137 1.00 0.00 O ATOM 262 CB GLN A 17 -1.975 8.758 -1.757 1.00 0.00 C ATOM 263 CG GLN A 17 -2.481 7.425 -2.314 1.00 0.00 C ATOM 264 CD GLN A 17 -3.881 7.614 -2.901 1.00 0.00 C ATOM 265 OE1 GLN A 17 -4.218 8.684 -3.367 1.00 0.00 O ATOM 266 NE2 GLN A 17 -4.717 6.611 -2.900 1.00 0.00 N ATOM 0 H GLN A 17 -2.587 7.943 0.562 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.350 7.612 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.806 9.332 -1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.538 9.356 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.800 7.058 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.505 6.674 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.435 5.712 -2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.652 6.726 -3.290 1.00 0.00 H new ATOM 275 N LYS A 18 -0.386 10.693 0.207 1.00 0.00 N ATOM 276 CA LYS A 18 0.486 11.893 0.361 1.00 0.00 C ATOM 277 C LYS A 18 1.694 11.532 1.227 1.00 0.00 C ATOM 278 O LYS A 18 2.815 11.490 0.759 1.00 0.00 O ATOM 279 CB LYS A 18 -0.306 13.018 1.032 1.00 0.00 C ATOM 280 CG LYS A 18 -1.179 13.721 -0.009 1.00 0.00 C ATOM 281 CD LYS A 18 -2.310 14.471 0.697 1.00 0.00 C ATOM 282 CE LYS A 18 -2.919 15.496 -0.260 1.00 0.00 C ATOM 283 NZ LYS A 18 -4.020 16.225 0.430 1.00 0.00 N ATOM 0 H LYS A 18 -1.265 10.724 0.723 1.00 0.00 H new ATOM 0 HA LYS A 18 0.826 12.226 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.928 12.613 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.376 13.733 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.577 14.416 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.591 12.991 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.075 13.769 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.929 14.971 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.155 16.199 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.301 14.996 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.435 16.923 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.752 15.548 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.642 16.713 1.267 1.00 0.00 H new ATOM 297 N GLU A 19 1.476 11.265 2.485 1.00 0.00 N ATOM 298 CA GLU A 19 2.615 10.902 3.376 1.00 0.00 C ATOM 299 C GLU A 19 3.582 9.997 2.612 1.00 0.00 C ATOM 300 O GLU A 19 4.782 10.070 2.783 1.00 0.00 O ATOM 301 CB GLU A 19 2.087 10.159 4.605 1.00 0.00 C ATOM 302 CG GLU A 19 1.482 11.163 5.588 1.00 0.00 C ATOM 303 CD GLU A 19 0.131 10.641 6.081 1.00 0.00 C ATOM 304 OE1 GLU A 19 0.004 9.436 6.232 1.00 0.00 O ATOM 305 OE2 GLU A 19 -0.752 11.453 6.299 1.00 0.00 O ATOM 0 H GLU A 19 0.560 11.282 2.934 1.00 0.00 H new ATOM 0 HA GLU A 19 3.132 11.807 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.335 9.428 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.895 9.607 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.156 11.314 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.355 12.131 5.104 1.00 0.00 H new ATOM 312 N GLU A 20 3.067 9.146 1.768 1.00 0.00 N ATOM 313 CA GLU A 20 3.955 8.238 0.991 1.00 0.00 C ATOM 314 C GLU A 20 4.776 9.061 -0.001 1.00 0.00 C ATOM 315 O GLU A 20 5.984 9.144 0.096 1.00 0.00 O ATOM 316 CB GLU A 20 3.104 7.220 0.227 1.00 0.00 C ATOM 317 CG GLU A 20 2.647 6.116 1.183 1.00 0.00 C ATOM 318 CD GLU A 20 3.795 5.131 1.411 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.952 4.236 0.598 1.00 0.00 O ATOM 320 OE2 GLU A 20 4.498 5.290 2.395 1.00 0.00 O ATOM 0 H GLU A 20 2.069 9.041 1.583 1.00 0.00 H new ATOM 0 HA GLU A 20 4.624 7.712 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.239 7.713 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.680 6.790 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.332 6.550 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.784 5.595 0.768 1.00 0.00 H new ATOM 327 N THR A 21 4.129 9.676 -0.954 1.00 0.00 N ATOM 328 CA THR A 21 4.874 10.497 -1.946 1.00 0.00 C ATOM 329 C THR A 21 6.019 11.222 -1.240 1.00 0.00 C ATOM 330 O THR A 21 7.140 11.239 -1.708 1.00 0.00 O ATOM 331 CB THR A 21 3.929 11.524 -2.574 1.00 0.00 C ATOM 332 OG1 THR A 21 2.783 10.858 -3.087 1.00 0.00 O ATOM 333 CG2 THR A 21 4.647 12.255 -3.709 1.00 0.00 C ATOM 0 H THR A 21 3.118 9.644 -1.087 1.00 0.00 H new ATOM 0 HA THR A 21 5.275 9.851 -2.727 1.00 0.00 H new ATOM 0 HB THR A 21 3.622 12.246 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.173 10.643 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.973 12.986 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.526 12.765 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.955 11.536 -4.468 1.00 0.00 H new ATOM 341 N ARG A 22 5.747 11.820 -0.112 1.00 0.00 N ATOM 342 CA ARG A 22 6.822 12.540 0.625 1.00 0.00 C ATOM 343 C ARG A 22 7.940 11.558 0.978 1.00 0.00 C ATOM 344 O ARG A 22 9.109 11.876 0.889 1.00 0.00 O ATOM 345 CB ARG A 22 6.243 13.142 1.909 1.00 0.00 C ATOM 346 CG ARG A 22 5.648 14.517 1.602 1.00 0.00 C ATOM 347 CD ARG A 22 5.245 15.201 2.909 1.00 0.00 C ATOM 348 NE ARG A 22 3.847 15.717 2.798 1.00 0.00 N ATOM 349 CZ ARG A 22 3.444 16.329 1.714 1.00 0.00 C ATOM 350 NH1 ARG A 22 4.281 16.568 0.742 1.00 0.00 N ATOM 351 NH2 ARG A 22 2.203 16.721 1.614 1.00 0.00 N ATOM 0 H ARG A 22 4.828 11.841 0.330 1.00 0.00 H new ATOM 0 HA ARG A 22 7.224 13.338 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.476 12.485 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.023 13.232 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.375 15.129 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.780 14.412 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.318 14.496 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.929 16.021 3.127 1.00 0.00 H new ATOM 0 HE ARG A 22 3.200 15.591 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.255 16.277 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.961 17.045 -0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.551 16.550 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.885 17.198 0.770 1.00 0.00 H new ATOM 365 N ASP A 23 7.590 10.365 1.374 1.00 0.00 N ATOM 366 CA ASP A 23 8.634 9.362 1.729 1.00 0.00 C ATOM 367 C ASP A 23 9.506 9.085 0.503 1.00 0.00 C ATOM 368 O ASP A 23 10.717 9.027 0.591 1.00 0.00 O ATOM 369 CB ASP A 23 7.962 8.064 2.181 1.00 0.00 C ATOM 370 CG ASP A 23 9.021 6.975 2.360 1.00 0.00 C ATOM 371 OD1 ASP A 23 10.180 7.324 2.514 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.655 5.811 2.341 1.00 0.00 O ATOM 0 H ASP A 23 6.627 10.041 1.467 1.00 0.00 H new ATOM 0 HA ASP A 23 9.253 9.750 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.429 8.225 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.223 7.749 1.444 1.00 0.00 H new ATOM 377 N ILE A 24 8.901 8.913 -0.641 1.00 0.00 N ATOM 378 CA ILE A 24 9.695 8.642 -1.872 1.00 0.00 C ATOM 379 C ILE A 24 10.516 9.881 -2.229 1.00 0.00 C ATOM 380 O ILE A 24 11.730 9.862 -2.207 1.00 0.00 O ATOM 381 CB ILE A 24 8.749 8.308 -3.027 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.867 7.120 -2.636 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.568 7.947 -4.268 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.765 6.935 -3.681 1.00 0.00 C ATOM 0 H ILE A 24 7.891 8.949 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 24 10.364 7.799 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 24 8.121 9.172 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.470 6.215 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.426 7.289 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.895 7.709 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.198 8.792 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.196 7.083 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.137 6.089 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.156 7.838 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.216 6.747 -4.655 1.00 0.00 H new ATOM 396 N ILE A 25 9.861 10.963 -2.556 1.00 0.00 N ATOM 397 CA ILE A 25 10.603 12.203 -2.911 1.00 0.00 C ATOM 398 C ILE A 25 11.707 12.444 -1.879 1.00 0.00 C ATOM 399 O ILE A 25 12.793 12.881 -2.208 1.00 0.00 O ATOM 400 CB ILE A 25 9.633 13.390 -2.920 1.00 0.00 C ATOM 401 CG1 ILE A 25 9.037 13.547 -4.321 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.376 14.673 -2.540 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.120 12.360 -4.626 1.00 0.00 C ATOM 0 H ILE A 25 8.845 11.040 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 25 11.050 12.096 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 25 8.837 13.208 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.476 14.479 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.834 13.603 -5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.681 15.512 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.802 14.565 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.175 14.857 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.697 12.474 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.695 11.435 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.315 12.325 -3.892 1.00 0.00 H new ATOM 415 N GLN A 26 11.439 12.162 -0.633 1.00 0.00 N ATOM 416 CA GLN A 26 12.475 12.374 0.418 1.00 0.00 C ATOM 417 C GLN A 26 13.689 11.493 0.119 1.00 0.00 C ATOM 418 O GLN A 26 14.821 11.922 0.231 1.00 0.00 O ATOM 419 CB GLN A 26 11.898 12.001 1.785 1.00 0.00 C ATOM 420 CG GLN A 26 10.904 13.076 2.230 1.00 0.00 C ATOM 421 CD GLN A 26 11.598 14.051 3.183 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.898 14.165 3.149 1.00 0.00 O flip ATOM 423 NE2 GLN A 26 10.952 14.717 3.967 1.00 0.00 N flip ATOM 0 H GLN A 26 10.549 11.794 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 26 12.778 13.421 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.402 11.032 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.700 11.907 2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.519 13.611 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.050 12.614 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.936 14.629 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.425 15.364 4.597 1.00 0.00 H new ATOM 432 N ALA A 27 13.463 10.266 -0.262 1.00 0.00 N ATOM 433 CA ALA A 27 14.606 9.360 -0.568 1.00 0.00 C ATOM 434 C ALA A 27 15.361 9.889 -1.789 1.00 0.00 C ATOM 435 O ALA A 27 16.566 10.038 -1.768 1.00 0.00 O ATOM 436 CB ALA A 27 14.078 7.954 -0.864 1.00 0.00 C ATOM 0 H ALA A 27 12.538 9.852 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 27 15.280 9.322 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.914 7.291 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.539 7.577 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.405 7.991 -1.720 1.00 0.00 H new ATOM 442 N LEU A 28 14.663 10.173 -2.854 1.00 0.00 N ATOM 443 CA LEU A 28 15.343 10.694 -4.073 1.00 0.00 C ATOM 444 C LEU A 28 16.174 11.924 -3.703 1.00 0.00 C ATOM 445 O LEU A 28 17.380 11.933 -3.838 1.00 0.00 O ATOM 446 CB LEU A 28 14.296 11.075 -5.122 1.00 0.00 C ATOM 447 CG LEU A 28 13.490 9.834 -5.509 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.127 10.260 -6.058 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.248 9.051 -6.584 1.00 0.00 C ATOM 0 H LEU A 28 13.652 10.067 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 28 15.997 9.924 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.633 11.844 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.783 11.495 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 28 13.347 9.205 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.553 9.375 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.586 10.820 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.269 10.889 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.675 8.166 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.389 9.682 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.220 8.747 -6.195 1.00 0.00 H new ATOM 461 N LEU A 29 15.540 12.962 -3.232 1.00 0.00 N ATOM 462 CA LEU A 29 16.304 14.182 -2.850 1.00 0.00 C ATOM 463 C LEU A 29 17.488 13.774 -1.972 1.00 0.00 C ATOM 464 O LEU A 29 18.615 14.160 -2.212 1.00 0.00 O ATOM 465 CB LEU A 29 15.393 15.134 -2.073 1.00 0.00 C ATOM 466 CG LEU A 29 14.812 16.176 -3.028 1.00 0.00 C ATOM 467 CD1 LEU A 29 15.946 17.020 -3.614 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.067 15.468 -4.163 1.00 0.00 C ATOM 0 H LEU A 29 14.531 13.018 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 29 16.667 14.685 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.589 14.575 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.955 15.626 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 29 14.121 16.821 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.532 17.763 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.479 17.524 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.636 16.375 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.652 16.210 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.758 14.823 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.259 14.865 -3.748 1.00 0.00 H new ATOM 480 N GLU A 30 17.241 12.990 -0.958 1.00 0.00 N ATOM 481 CA GLU A 30 18.350 12.549 -0.067 1.00 0.00 C ATOM 482 C GLU A 30 19.479 11.963 -0.918 1.00 0.00 C ATOM 483 O GLU A 30 20.645 12.193 -0.663 1.00 0.00 O ATOM 484 CB GLU A 30 17.829 11.483 0.900 1.00 0.00 C ATOM 485 CG GLU A 30 19.002 10.680 1.469 1.00 0.00 C ATOM 486 CD GLU A 30 20.023 11.635 2.090 1.00 0.00 C ATOM 487 OE1 GLU A 30 19.747 12.152 3.161 1.00 0.00 O ATOM 488 OE2 GLU A 30 21.065 11.833 1.487 1.00 0.00 O ATOM 0 H GLU A 30 16.318 12.636 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 30 18.727 13.400 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.273 11.955 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.137 10.817 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.644 9.976 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.471 10.093 0.680 1.00 0.00 H new ATOM 495 N ASP A 31 19.142 11.208 -1.928 1.00 0.00 N ATOM 496 CA ASP A 31 20.196 10.609 -2.795 1.00 0.00 C ATOM 497 C ASP A 31 21.010 11.726 -3.453 1.00 0.00 C ATOM 498 O ASP A 31 22.225 11.711 -3.439 1.00 0.00 O ATOM 499 CB ASP A 31 19.540 9.749 -3.878 1.00 0.00 C ATOM 500 CG ASP A 31 19.581 8.279 -3.457 1.00 0.00 C ATOM 501 OD1 ASP A 31 20.672 7.770 -3.257 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.521 7.685 -3.344 1.00 0.00 O ATOM 0 H ASP A 31 18.183 10.980 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 31 20.855 9.987 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.508 10.065 -4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.060 9.881 -4.827 1.00 0.00 H new ATOM 507 N GLY A 32 20.352 12.697 -4.027 1.00 0.00 N ATOM 508 CA GLY A 32 21.093 13.813 -4.680 1.00 0.00 C ATOM 509 C GLY A 32 20.528 14.064 -6.082 1.00 0.00 C ATOM 510 O GLY A 32 21.134 14.736 -6.891 1.00 0.00 O ATOM 0 H GLY A 32 19.335 12.765 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.010 14.718 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.153 13.569 -4.744 1.00 0.00 H new ATOM 514 N SER A 33 19.373 13.532 -6.375 1.00 0.00 N ATOM 515 CA SER A 33 18.777 13.746 -7.724 1.00 0.00 C ATOM 516 C SER A 33 18.243 15.178 -7.824 1.00 0.00 C ATOM 517 O SER A 33 18.077 15.859 -6.831 1.00 0.00 O ATOM 518 CB SER A 33 17.631 12.755 -7.937 1.00 0.00 C ATOM 519 OG SER A 33 17.330 12.114 -6.705 1.00 0.00 O ATOM 0 H SER A 33 18.817 12.959 -5.740 1.00 0.00 H new ATOM 0 HA SER A 33 19.538 13.589 -8.488 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.751 13.275 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.910 12.015 -8.687 1.00 0.00 H new ATOM 0 HG SER A 33 16.844 11.281 -6.880 1.00 0.00 H new ATOM 525 N ASP A 34 17.974 15.643 -9.015 1.00 0.00 N ATOM 526 CA ASP A 34 17.455 17.032 -9.171 1.00 0.00 C ATOM 527 C ASP A 34 16.240 17.027 -10.104 1.00 0.00 C ATOM 528 O ASP A 34 16.078 16.144 -10.922 1.00 0.00 O ATOM 529 CB ASP A 34 18.549 17.923 -9.764 1.00 0.00 C ATOM 530 CG ASP A 34 19.862 17.140 -9.834 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.556 17.096 -8.831 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.151 16.599 -10.888 1.00 0.00 O ATOM 0 H ASP A 34 18.091 15.122 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 34 17.160 17.418 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.260 18.258 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.678 18.816 -9.152 1.00 0.00 H new ATOM 537 N PRO A 35 15.397 18.015 -9.977 1.00 0.00 N ATOM 538 CA PRO A 35 14.170 18.146 -10.816 1.00 0.00 C ATOM 539 C PRO A 35 14.504 18.499 -12.268 1.00 0.00 C ATOM 540 O PRO A 35 13.629 18.730 -13.079 1.00 0.00 O ATOM 541 CB PRO A 35 13.390 19.285 -10.155 1.00 0.00 C ATOM 542 CG PRO A 35 14.403 20.084 -9.405 1.00 0.00 C ATOM 543 CD PRO A 35 15.525 19.119 -9.014 1.00 0.00 C ATOM 0 HA PRO A 35 13.611 17.212 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.882 19.897 -10.901 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.623 18.897 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.789 20.896 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.958 20.539 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.503 19.596 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.411 18.769 -7.988 1.00 0.00 H new ATOM 551 N ASP A 36 15.765 18.545 -12.600 1.00 0.00 N ATOM 552 CA ASP A 36 16.158 18.884 -13.997 1.00 0.00 C ATOM 553 C ASP A 36 16.301 17.599 -14.815 1.00 0.00 C ATOM 554 O ASP A 36 16.502 17.635 -16.013 1.00 0.00 O ATOM 555 CB ASP A 36 17.495 19.630 -13.982 1.00 0.00 C ATOM 556 CG ASP A 36 17.365 20.897 -13.134 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.754 20.821 -12.081 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.877 21.921 -13.554 1.00 0.00 O ATOM 0 H ASP A 36 16.541 18.362 -11.964 1.00 0.00 H new ATOM 0 HA ASP A 36 15.392 19.516 -14.446 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.277 18.988 -13.577 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.790 19.889 -14.999 1.00 0.00 H new ATOM 563 N ALA A 37 16.203 16.464 -14.179 1.00 0.00 N ATOM 564 CA ALA A 37 16.337 15.180 -14.924 1.00 0.00 C ATOM 565 C ALA A 37 14.948 14.611 -15.225 1.00 0.00 C ATOM 566 O ALA A 37 14.807 13.474 -15.633 1.00 0.00 O ATOM 567 CB ALA A 37 17.130 14.179 -14.078 1.00 0.00 C ATOM 0 H ALA A 37 16.036 16.370 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 37 16.863 15.359 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.228 13.240 -14.622 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.121 14.583 -13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.606 14.001 -13.139 1.00 0.00 H new ATOM 573 N LEU A 38 13.919 15.390 -15.029 1.00 0.00 N ATOM 574 CA LEU A 38 12.541 14.888 -15.306 1.00 0.00 C ATOM 575 C LEU A 38 12.304 13.591 -14.532 1.00 0.00 C ATOM 576 O LEU A 38 13.209 13.032 -13.945 1.00 0.00 O ATOM 577 CB LEU A 38 12.390 14.621 -16.806 1.00 0.00 C ATOM 578 CG LEU A 38 11.781 15.848 -17.488 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.385 16.111 -16.920 1.00 0.00 C ATOM 580 CD2 LEU A 38 12.672 17.065 -17.234 1.00 0.00 C ATOM 0 H LEU A 38 13.972 16.350 -14.690 1.00 0.00 H new ATOM 0 HA LEU A 38 11.812 15.635 -14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.362 14.394 -17.245 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.755 13.750 -16.968 1.00 0.00 H new ATOM 0 HG LEU A 38 11.707 15.667 -18.560 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.953 16.985 -17.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.750 15.244 -17.100 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.457 16.291 -15.847 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.240 17.940 -17.719 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.746 17.244 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.666 16.879 -17.640 1.00 0.00 H new ATOM 592 N TYR A 39 11.093 13.105 -14.527 1.00 0.00 N ATOM 593 CA TYR A 39 10.799 11.841 -13.794 1.00 0.00 C ATOM 594 C TYR A 39 9.584 11.159 -14.424 1.00 0.00 C ATOM 595 O TYR A 39 8.713 11.806 -14.973 1.00 0.00 O ATOM 596 CB TYR A 39 10.507 12.157 -12.325 1.00 0.00 C ATOM 597 CG TYR A 39 11.701 11.780 -11.481 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.752 12.690 -11.310 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.758 10.521 -10.871 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.859 12.340 -10.529 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.866 10.171 -10.090 1.00 0.00 C ATOM 602 CZ TYR A 39 13.916 11.081 -9.918 1.00 0.00 C ATOM 603 OH TYR A 39 15.008 10.737 -9.149 1.00 0.00 O ATOM 0 H TYR A 39 10.294 13.529 -14.999 1.00 0.00 H new ATOM 0 HA TYR A 39 11.660 11.176 -13.855 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.286 13.218 -12.207 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.626 11.609 -11.992 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.708 13.661 -11.781 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.947 9.820 -11.003 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.670 13.041 -10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.911 9.199 -9.620 1.00 0.00 H new ATOM 0 HH TYR A 39 15.094 11.367 -8.403 1.00 0.00 H new ATOM 613 N GLU A 40 9.517 9.857 -14.354 1.00 0.00 N ATOM 614 CA GLU A 40 8.359 9.138 -14.954 1.00 0.00 C ATOM 615 C GLU A 40 7.412 8.670 -13.847 1.00 0.00 C ATOM 616 O GLU A 40 7.784 7.907 -12.979 1.00 0.00 O ATOM 617 CB GLU A 40 8.864 7.925 -15.739 1.00 0.00 C ATOM 618 CG GLU A 40 10.188 8.272 -16.425 1.00 0.00 C ATOM 619 CD GLU A 40 11.344 8.051 -15.448 1.00 0.00 C ATOM 620 OE1 GLU A 40 11.113 8.156 -14.254 1.00 0.00 O ATOM 621 OE2 GLU A 40 12.439 7.779 -15.910 1.00 0.00 O ATOM 0 H GLU A 40 10.214 9.261 -13.907 1.00 0.00 H new ATOM 0 HA GLU A 40 7.825 9.811 -15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.002 7.077 -15.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.125 7.627 -16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.324 7.652 -17.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.175 9.309 -16.760 1.00 0.00 H new ATOM 628 N ILE A 41 6.187 9.120 -13.876 1.00 0.00 N ATOM 629 CA ILE A 41 5.211 8.700 -12.831 1.00 0.00 C ATOM 630 C ILE A 41 4.219 7.707 -13.441 1.00 0.00 C ATOM 631 O ILE A 41 3.624 7.964 -14.470 1.00 0.00 O ATOM 632 CB ILE A 41 4.456 9.926 -12.315 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.370 10.733 -11.391 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.217 9.477 -11.540 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.503 11.355 -12.210 1.00 0.00 C ATOM 0 H ILE A 41 5.820 9.761 -14.579 1.00 0.00 H new ATOM 0 HA ILE A 41 5.740 8.228 -12.003 1.00 0.00 H new ATOM 0 HB ILE A 41 4.150 10.545 -13.158 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.799 11.514 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.780 10.088 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.680 10.352 -11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.566 8.901 -12.197 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.520 8.857 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.154 11.930 -11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.080 10.565 -12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.083 12.013 -12.971 1.00 0.00 H new ATOM 647 N GLU A 42 4.038 6.573 -12.823 1.00 0.00 N ATOM 648 CA GLU A 42 3.089 5.568 -13.377 1.00 0.00 C ATOM 649 C GLU A 42 1.938 5.343 -12.395 1.00 0.00 C ATOM 650 O GLU A 42 2.140 5.205 -11.205 1.00 0.00 O ATOM 651 CB GLU A 42 3.824 4.247 -13.611 1.00 0.00 C ATOM 652 CG GLU A 42 2.863 3.229 -14.227 1.00 0.00 C ATOM 653 CD GLU A 42 3.660 2.170 -14.991 1.00 0.00 C ATOM 654 OE1 GLU A 42 4.349 1.396 -14.348 1.00 0.00 O ATOM 655 OE2 GLU A 42 3.567 2.152 -16.207 1.00 0.00 O ATOM 0 H GLU A 42 4.506 6.299 -11.959 1.00 0.00 H new ATOM 0 HA GLU A 42 2.688 5.936 -14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.676 4.405 -14.272 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.218 3.866 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.267 2.757 -13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.167 3.731 -14.899 1.00 0.00 H new ATOM 662 N HIS A 43 0.730 5.300 -12.888 1.00 0.00 N ATOM 663 CA HIS A 43 -0.438 5.078 -11.991 1.00 0.00 C ATOM 664 C HIS A 43 -1.120 3.761 -12.371 1.00 0.00 C ATOM 665 O HIS A 43 -1.097 3.349 -13.514 1.00 0.00 O ATOM 666 CB HIS A 43 -1.429 6.233 -12.149 1.00 0.00 C ATOM 667 CG HIS A 43 -0.837 7.484 -11.558 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.581 7.610 -10.200 1.00 0.00 N ATOM 669 CD2 HIS A 43 -0.445 8.672 -12.125 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.056 8.833 -9.997 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.045 9.518 -11.138 1.00 0.00 N ATOM 0 H HIS A 43 0.502 5.409 -13.876 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.102 5.031 -10.955 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.658 6.389 -13.203 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.368 5.992 -11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.508 8.912 -13.176 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.246 9.212 -9.032 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.406 10.464 -11.260 1.00 0.00 H new ATOM 679 N HIS A 44 -1.720 3.094 -11.424 1.00 0.00 N ATOM 680 CA HIS A 44 -2.393 1.800 -11.739 1.00 0.00 C ATOM 681 C HIS A 44 -3.891 1.910 -11.447 1.00 0.00 C ATOM 682 O HIS A 44 -4.298 2.364 -10.397 1.00 0.00 O ATOM 683 CB HIS A 44 -1.788 0.690 -10.876 1.00 0.00 C ATOM 684 CG HIS A 44 -0.351 0.478 -11.265 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.597 0.010 -10.365 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.317 0.665 -12.451 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.772 -0.070 -11.018 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.654 0.318 -12.289 1.00 0.00 N ATOM 0 H HIS A 44 -1.774 3.387 -10.448 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.248 1.566 -12.794 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.854 0.958 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.351 -0.234 -11.006 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.127 1.026 -13.367 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.695 -0.406 -10.569 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.390 0.353 -12.994 1.00 0.00 H new ATOM 696 N LEU A 45 -4.715 1.492 -12.370 1.00 0.00 N ATOM 697 CA LEU A 45 -6.186 1.566 -12.147 1.00 0.00 C ATOM 698 C LEU A 45 -6.852 0.319 -12.735 1.00 0.00 C ATOM 699 O LEU A 45 -6.582 -0.072 -13.854 1.00 0.00 O ATOM 700 CB LEU A 45 -6.750 2.812 -12.832 1.00 0.00 C ATOM 701 CG LEU A 45 -5.660 3.879 -12.931 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.665 3.495 -14.029 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.299 5.228 -13.272 1.00 0.00 C ATOM 0 H LEU A 45 -4.432 1.102 -13.269 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.386 1.620 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.116 2.558 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.600 3.197 -12.268 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.137 3.953 -11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.888 4.257 -14.099 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.210 2.534 -13.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.187 3.421 -14.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.523 5.990 -13.343 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.822 5.152 -14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.007 5.503 -12.491 1.00 0.00 H new ATOM 715 N PHE A 46 -7.723 -0.308 -11.991 1.00 0.00 N ATOM 716 CA PHE A 46 -8.404 -1.526 -12.510 1.00 0.00 C ATOM 717 C PHE A 46 -9.918 -1.344 -12.412 1.00 0.00 C ATOM 718 O PHE A 46 -10.405 -0.480 -11.712 1.00 0.00 O ATOM 719 CB PHE A 46 -7.986 -2.745 -11.686 1.00 0.00 C ATOM 720 CG PHE A 46 -7.431 -2.294 -10.355 1.00 0.00 C ATOM 721 CD1 PHE A 46 -6.259 -1.529 -10.307 1.00 0.00 C ATOM 722 CD2 PHE A 46 -8.088 -2.645 -9.169 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.744 -1.115 -9.074 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.573 -2.231 -7.936 1.00 0.00 C ATOM 725 CZ PHE A 46 -6.401 -1.465 -7.887 1.00 0.00 C ATOM 0 H PHE A 46 -7.991 -0.029 -11.047 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.119 -1.679 -13.551 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.842 -3.402 -11.530 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.236 -3.322 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.753 -1.259 -11.222 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.992 -3.235 -9.206 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.840 -0.525 -9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.079 -2.502 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.004 -1.145 -6.935 1.00 0.00 H new ATOM 735 N ALA A 47 -10.667 -2.152 -13.109 1.00 0.00 N ATOM 736 CA ALA A 47 -12.151 -2.023 -13.053 1.00 0.00 C ATOM 737 C ALA A 47 -12.793 -3.392 -13.279 1.00 0.00 C ATOM 738 O ALA A 47 -12.147 -4.330 -13.703 1.00 0.00 O ATOM 739 CB ALA A 47 -12.618 -1.054 -14.142 1.00 0.00 C ATOM 0 H ALA A 47 -10.317 -2.895 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.446 -1.643 -12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.703 -0.958 -14.103 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.161 -0.078 -13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.322 -1.435 -15.119 1.00 0.00 H new ATOM 745 N GLU A 48 -14.061 -3.515 -13.000 1.00 0.00 N ATOM 746 CA GLU A 48 -14.745 -4.821 -13.198 1.00 0.00 C ATOM 747 C GLU A 48 -15.596 -4.762 -14.470 1.00 0.00 C ATOM 748 O GLU A 48 -15.742 -5.739 -15.176 1.00 0.00 O ATOM 749 CB GLU A 48 -15.644 -5.113 -11.996 1.00 0.00 C ATOM 750 CG GLU A 48 -14.782 -5.539 -10.805 1.00 0.00 C ATOM 751 CD GLU A 48 -15.618 -5.489 -9.525 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.415 -6.390 -9.326 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.445 -4.551 -8.764 1.00 0.00 O ATOM 0 H GLU A 48 -14.653 -2.765 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.000 -5.611 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.225 -4.227 -11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.356 -5.901 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.399 -6.547 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.918 -4.880 -10.714 1.00 0.00 H new ATOM 760 N ASP A 49 -16.154 -3.620 -14.767 1.00 0.00 N ATOM 761 CA ASP A 49 -16.991 -3.497 -15.993 1.00 0.00 C ATOM 762 C ASP A 49 -16.163 -2.857 -17.109 1.00 0.00 C ATOM 763 O ASP A 49 -15.837 -1.688 -17.062 1.00 0.00 O ATOM 764 CB ASP A 49 -18.210 -2.622 -15.694 1.00 0.00 C ATOM 765 CG ASP A 49 -19.148 -3.365 -14.740 1.00 0.00 C ATOM 766 OD1 ASP A 49 -19.082 -4.583 -14.706 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.917 -2.704 -14.062 1.00 0.00 O ATOM 0 H ASP A 49 -16.066 -2.768 -14.214 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.325 -4.486 -16.308 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.894 -1.679 -15.249 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.732 -2.379 -16.619 1.00 0.00 H new ATOM 772 N PHE A 50 -15.816 -3.616 -18.112 1.00 0.00 N ATOM 773 CA PHE A 50 -15.005 -3.054 -19.230 1.00 0.00 C ATOM 774 C PHE A 50 -15.648 -1.759 -19.733 1.00 0.00 C ATOM 775 O PHE A 50 -14.997 -0.922 -20.328 1.00 0.00 O ATOM 776 CB PHE A 50 -14.941 -4.070 -20.374 1.00 0.00 C ATOM 777 CG PHE A 50 -15.658 -5.334 -19.967 1.00 0.00 C ATOM 778 CD1 PHE A 50 -15.069 -6.208 -19.045 1.00 0.00 C ATOM 779 CD2 PHE A 50 -16.912 -5.635 -20.513 1.00 0.00 C ATOM 780 CE1 PHE A 50 -15.734 -7.382 -18.670 1.00 0.00 C ATOM 781 CE2 PHE A 50 -17.577 -6.808 -20.138 1.00 0.00 C ATOM 782 CZ PHE A 50 -16.987 -7.682 -19.216 1.00 0.00 C ATOM 0 H PHE A 50 -16.059 -4.602 -18.206 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.997 -2.841 -18.874 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -15.399 -3.653 -21.271 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.902 -4.292 -20.620 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -14.102 -5.977 -18.623 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -17.366 -4.961 -21.224 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -15.280 -8.056 -17.959 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -18.544 -7.039 -20.559 1.00 0.00 H new ATOM 0 HZ PHE A 50 -17.499 -8.588 -18.926 1.00 0.00 H new ATOM 792 N ASP A 51 -16.920 -1.586 -19.503 1.00 0.00 N ATOM 793 CA ASP A 51 -17.601 -0.346 -19.972 1.00 0.00 C ATOM 794 C ASP A 51 -16.944 0.877 -19.329 1.00 0.00 C ATOM 795 O ASP A 51 -16.320 1.681 -19.994 1.00 0.00 O ATOM 796 CB ASP A 51 -19.078 -0.397 -19.578 1.00 0.00 C ATOM 797 CG ASP A 51 -19.757 -1.570 -20.286 1.00 0.00 C ATOM 798 OD1 ASP A 51 -20.006 -1.454 -21.475 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.014 -2.565 -19.629 1.00 0.00 O ATOM 0 H ASP A 51 -17.518 -2.250 -19.010 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.514 -0.274 -21.056 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.173 -0.507 -18.498 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -19.569 0.538 -19.848 1.00 0.00 H new ATOM 804 N LYS A 52 -17.083 1.027 -18.041 1.00 0.00 N ATOM 805 CA LYS A 52 -16.473 2.201 -17.353 1.00 0.00 C ATOM 806 C LYS A 52 -14.952 2.177 -17.535 1.00 0.00 C ATOM 807 O LYS A 52 -14.311 3.205 -17.607 1.00 0.00 O ATOM 808 CB LYS A 52 -16.807 2.144 -15.861 1.00 0.00 C ATOM 809 CG LYS A 52 -16.004 1.021 -15.202 1.00 0.00 C ATOM 810 CD LYS A 52 -16.676 0.616 -13.889 1.00 0.00 C ATOM 811 CE LYS A 52 -16.055 -0.685 -13.377 1.00 0.00 C ATOM 812 NZ LYS A 52 -17.135 -1.604 -12.917 1.00 0.00 N ATOM 0 H LYS A 52 -17.594 0.386 -17.433 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.872 3.119 -17.785 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.574 3.098 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.874 1.972 -15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.942 0.163 -15.871 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.983 1.352 -15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.555 1.406 -13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.747 0.484 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.472 -1.158 -14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.368 -0.475 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.826 -2.590 -13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.340 -1.424 -11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.994 -1.440 -13.480 1.00 0.00 H new ATOM 826 N LEU A 53 -14.372 1.010 -17.605 1.00 0.00 N ATOM 827 CA LEU A 53 -12.894 0.922 -17.774 1.00 0.00 C ATOM 828 C LEU A 53 -12.466 1.712 -19.014 1.00 0.00 C ATOM 829 O LEU A 53 -11.491 2.437 -18.994 1.00 0.00 O ATOM 830 CB LEU A 53 -12.489 -0.544 -17.941 1.00 0.00 C ATOM 831 CG LEU A 53 -10.964 -0.655 -17.955 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.538 -1.908 -17.189 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.475 -0.754 -19.402 1.00 0.00 C ATOM 0 H LEU A 53 -14.857 0.114 -17.553 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.405 1.341 -16.894 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.900 -1.141 -17.127 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.902 -0.943 -18.868 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.530 0.226 -17.482 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.451 -1.988 -17.198 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.888 -1.841 -16.159 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.971 -2.789 -17.663 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.388 -0.833 -19.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.908 -1.636 -19.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.780 0.137 -19.951 1.00 0.00 H new ATOM 845 N GLU A 54 -13.181 1.573 -20.096 1.00 0.00 N ATOM 846 CA GLU A 54 -12.808 2.312 -21.336 1.00 0.00 C ATOM 847 C GLU A 54 -13.102 3.803 -21.158 1.00 0.00 C ATOM 848 O GLU A 54 -12.289 4.648 -21.478 1.00 0.00 O ATOM 849 CB GLU A 54 -13.621 1.770 -22.514 1.00 0.00 C ATOM 850 CG GLU A 54 -13.184 2.471 -23.802 1.00 0.00 C ATOM 851 CD GLU A 54 -11.965 1.758 -24.386 1.00 0.00 C ATOM 852 OE1 GLU A 54 -10.920 1.803 -23.758 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.095 1.178 -25.451 1.00 0.00 O ATOM 0 H GLU A 54 -14.007 0.980 -20.176 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.744 2.176 -21.531 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.475 0.694 -22.606 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.685 1.934 -22.341 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.000 2.468 -24.524 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.944 3.514 -23.597 1.00 0.00 H new ATOM 860 N LYS A 55 -14.259 4.134 -20.658 1.00 0.00 N ATOM 861 CA LYS A 55 -14.607 5.572 -20.467 1.00 0.00 C ATOM 862 C LYS A 55 -13.562 6.245 -19.572 1.00 0.00 C ATOM 863 O LYS A 55 -13.128 7.349 -19.833 1.00 0.00 O ATOM 864 CB LYS A 55 -15.985 5.681 -19.809 1.00 0.00 C ATOM 865 CG LYS A 55 -17.055 5.174 -20.778 1.00 0.00 C ATOM 866 CD LYS A 55 -18.302 6.055 -20.666 1.00 0.00 C ATOM 867 CE LYS A 55 -18.204 7.208 -21.664 1.00 0.00 C ATOM 868 NZ LYS A 55 -18.579 6.722 -23.022 1.00 0.00 N ATOM 0 H LYS A 55 -14.980 3.472 -20.373 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.624 6.068 -21.437 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.007 5.098 -18.888 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.188 6.716 -19.535 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.674 5.192 -21.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.306 4.138 -20.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.196 5.464 -20.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.395 6.445 -19.652 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.864 8.022 -21.362 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.190 7.608 -21.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.104 7.303 -23.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.286 5.730 -23.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.609 6.793 -23.144 1.00 0.00 H new ATOM 882 N ALA A 56 -13.160 5.593 -18.515 1.00 0.00 N ATOM 883 CA ALA A 56 -12.150 6.201 -17.602 1.00 0.00 C ATOM 884 C ALA A 56 -10.795 6.288 -18.308 1.00 0.00 C ATOM 885 O ALA A 56 -10.058 7.239 -18.138 1.00 0.00 O ATOM 886 CB ALA A 56 -12.015 5.339 -16.345 1.00 0.00 C ATOM 0 H ALA A 56 -13.487 4.666 -18.244 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.475 7.204 -17.325 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.277 5.783 -15.677 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.978 5.284 -15.837 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.694 4.335 -16.625 1.00 0.00 H new ATOM 892 N ALA A 57 -10.456 5.304 -19.095 1.00 0.00 N ATOM 893 CA ALA A 57 -9.145 5.337 -19.803 1.00 0.00 C ATOM 894 C ALA A 57 -9.134 6.487 -20.814 1.00 0.00 C ATOM 895 O ALA A 57 -8.210 7.275 -20.860 1.00 0.00 O ATOM 896 CB ALA A 57 -8.926 4.011 -20.537 1.00 0.00 C ATOM 0 H ALA A 57 -11.029 4.480 -19.278 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.347 5.487 -19.076 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.967 4.036 -21.055 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.929 3.192 -19.818 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.726 3.860 -21.262 1.00 0.00 H new ATOM 902 N VAL A 58 -10.151 6.588 -21.625 1.00 0.00 N ATOM 903 CA VAL A 58 -10.196 7.685 -22.634 1.00 0.00 C ATOM 904 C VAL A 58 -10.001 9.034 -21.936 1.00 0.00 C ATOM 905 O VAL A 58 -9.056 9.749 -22.200 1.00 0.00 O ATOM 906 CB VAL A 58 -11.551 7.669 -23.346 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.684 8.914 -24.224 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.653 6.417 -24.220 1.00 0.00 C ATOM 0 H VAL A 58 -10.953 5.958 -21.633 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.400 7.538 -23.364 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.349 7.662 -22.604 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.649 8.901 -24.730 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.612 9.807 -23.603 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.885 8.923 -24.966 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.618 6.405 -24.727 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.854 6.424 -24.961 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.561 5.529 -23.595 1.00 0.00 H new ATOM 918 N GLU A 59 -10.891 9.387 -21.049 1.00 0.00 N ATOM 919 CA GLU A 59 -10.757 10.691 -20.338 1.00 0.00 C ATOM 920 C GLU A 59 -9.321 10.859 -19.837 1.00 0.00 C ATOM 921 O GLU A 59 -8.722 11.908 -19.979 1.00 0.00 O ATOM 922 CB GLU A 59 -11.721 10.724 -19.150 1.00 0.00 C ATOM 923 CG GLU A 59 -12.452 12.067 -19.121 1.00 0.00 C ATOM 924 CD GLU A 59 -13.548 12.077 -20.189 1.00 0.00 C ATOM 925 OE1 GLU A 59 -14.411 11.216 -20.130 1.00 0.00 O ATOM 926 OE2 GLU A 59 -13.504 12.942 -21.046 1.00 0.00 O ATOM 0 H GLU A 59 -11.704 8.830 -20.786 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.996 11.504 -21.024 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.440 9.909 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.173 10.576 -18.219 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.888 12.234 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.748 12.880 -19.300 1.00 0.00 H new ATOM 933 N ALA A 60 -8.762 9.836 -19.251 1.00 0.00 N ATOM 934 CA ALA A 60 -7.365 9.941 -18.740 1.00 0.00 C ATOM 935 C ALA A 60 -6.428 10.320 -19.889 1.00 0.00 C ATOM 936 O ALA A 60 -5.580 11.180 -19.753 1.00 0.00 O ATOM 937 CB ALA A 60 -6.935 8.595 -18.154 1.00 0.00 C ATOM 0 H ALA A 60 -9.211 8.932 -19.104 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.318 10.707 -17.966 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.914 8.670 -17.780 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.602 8.325 -17.335 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.982 7.829 -18.928 1.00 0.00 H new ATOM 943 N PHE A 61 -6.572 9.684 -21.020 1.00 0.00 N ATOM 944 CA PHE A 61 -5.688 10.010 -22.174 1.00 0.00 C ATOM 945 C PHE A 61 -5.785 11.504 -22.487 1.00 0.00 C ATOM 946 O PHE A 61 -4.798 12.155 -22.769 1.00 0.00 O ATOM 947 CB PHE A 61 -6.126 9.200 -23.395 1.00 0.00 C ATOM 948 CG PHE A 61 -5.201 9.489 -24.551 1.00 0.00 C ATOM 949 CD1 PHE A 61 -5.318 10.692 -25.258 1.00 0.00 C ATOM 950 CD2 PHE A 61 -4.224 8.555 -24.916 1.00 0.00 C ATOM 951 CE1 PHE A 61 -4.459 10.961 -26.330 1.00 0.00 C ATOM 952 CE2 PHE A 61 -3.365 8.825 -25.989 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.483 10.027 -26.695 1.00 0.00 C ATOM 0 H PHE A 61 -7.263 8.954 -21.194 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.657 9.760 -21.924 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.112 8.135 -23.162 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.151 9.454 -23.664 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.071 11.413 -24.976 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.133 7.627 -24.371 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.549 11.889 -26.875 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.611 8.105 -26.271 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.820 10.234 -27.522 1.00 0.00 H new ATOM 963 N LYS A 62 -6.968 12.054 -22.440 1.00 0.00 N ATOM 964 CA LYS A 62 -7.127 13.506 -22.734 1.00 0.00 C ATOM 965 C LYS A 62 -6.618 14.326 -21.545 1.00 0.00 C ATOM 966 O LYS A 62 -6.235 15.470 -21.688 1.00 0.00 O ATOM 967 CB LYS A 62 -8.606 13.818 -22.975 1.00 0.00 C ATOM 968 CG LYS A 62 -8.765 14.558 -24.305 1.00 0.00 C ATOM 969 CD LYS A 62 -10.249 14.813 -24.573 1.00 0.00 C ATOM 970 CE LYS A 62 -10.404 15.639 -25.851 1.00 0.00 C ATOM 971 NZ LYS A 62 -9.829 16.997 -25.636 1.00 0.00 N ATOM 0 H LYS A 62 -7.831 11.560 -22.211 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.552 13.762 -23.624 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.185 12.895 -22.990 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.997 14.427 -22.160 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.222 15.503 -24.275 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.334 13.969 -25.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.779 13.866 -24.673 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.696 15.341 -23.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.898 15.145 -26.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.457 15.717 -26.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.256 17.665 -26.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.029 17.309 -24.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.800 16.966 -25.784 1.00 0.00 H new ATOM 985 N MET A 63 -6.612 13.751 -20.373 1.00 0.00 N ATOM 986 CA MET A 63 -6.127 14.499 -19.179 1.00 0.00 C ATOM 987 C MET A 63 -4.600 14.585 -19.216 1.00 0.00 C ATOM 988 O MET A 63 -4.019 15.616 -18.940 1.00 0.00 O ATOM 989 CB MET A 63 -6.563 13.769 -17.907 1.00 0.00 C ATOM 990 CG MET A 63 -8.061 13.984 -17.684 1.00 0.00 C ATOM 991 SD MET A 63 -8.774 12.509 -16.914 1.00 0.00 S ATOM 992 CE MET A 63 -8.281 12.881 -15.213 1.00 0.00 C ATOM 0 H MET A 63 -6.922 12.796 -20.191 1.00 0.00 H new ATOM 0 HA MET A 63 -6.549 15.504 -19.185 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.346 12.704 -17.994 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.000 14.140 -17.051 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.224 14.854 -17.048 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.556 14.187 -18.634 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.381 11.985 -14.601 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.244 13.215 -15.200 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.921 13.667 -14.812 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.944 13.509 -19.556 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.455 13.530 -19.613 1.00 0.00 C ATOM 1004 C GLY A 64 -1.898 12.287 -18.914 1.00 0.00 C ATOM 1005 O GLY A 64 -1.397 12.358 -17.808 1.00 0.00 O ATOM 0 H GLY A 64 -4.375 12.616 -19.797 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.121 13.557 -20.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.075 14.431 -19.132 1.00 0.00 H new ATOM 1009 N PHE A 65 -1.981 11.150 -19.547 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.456 9.906 -18.915 1.00 0.00 C ATOM 1011 C PHE A 65 -1.309 8.815 -19.978 1.00 0.00 C ATOM 1012 O PHE A 65 -2.282 8.272 -20.462 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.432 9.430 -17.836 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.487 10.444 -16.719 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.584 10.360 -15.652 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.442 11.468 -16.748 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.636 11.298 -14.615 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -3.494 12.406 -15.711 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.591 12.321 -14.644 1.00 0.00 C ATOM 0 H PHE A 65 -2.389 11.028 -20.474 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.485 10.112 -18.465 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.425 9.292 -18.265 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.116 8.462 -17.447 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.847 9.571 -15.629 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.138 11.534 -17.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.939 11.233 -13.792 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.231 13.196 -15.733 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.631 13.045 -13.843 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.099 8.485 -20.344 1.00 0.00 N ATOM 1030 CA GLU A 66 0.105 7.426 -21.370 1.00 0.00 C ATOM 1031 C GLU A 66 -0.548 6.128 -20.890 1.00 0.00 C ATOM 1032 O GLU A 66 0.091 5.280 -20.299 1.00 0.00 O ATOM 1033 CB GLU A 66 1.603 7.198 -21.580 1.00 0.00 C ATOM 1034 CG GLU A 66 2.113 8.133 -22.679 1.00 0.00 C ATOM 1035 CD GLU A 66 2.186 7.369 -24.003 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.672 6.251 -23.992 1.00 0.00 O ATOM 1037 OE2 GLU A 66 1.754 7.916 -25.004 1.00 0.00 O ATOM 0 H GLU A 66 0.755 8.904 -19.976 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.347 7.737 -22.312 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.143 7.382 -20.651 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.788 6.160 -21.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.449 8.992 -22.778 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.097 8.520 -22.415 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.821 5.971 -21.132 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.521 4.733 -20.685 1.00 0.00 C ATOM 1046 C VAL A 67 -1.892 3.507 -21.352 1.00 0.00 C ATOM 1047 O VAL A 67 -1.545 3.530 -22.517 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.001 4.820 -21.065 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.129 5.308 -22.509 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.643 3.438 -20.935 1.00 0.00 C ATOM 0 H VAL A 67 -2.407 6.648 -21.621 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.426 4.638 -19.603 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.506 5.519 -20.399 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.183 5.370 -22.780 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.672 6.293 -22.602 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.624 4.609 -23.175 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.697 3.500 -21.206 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.138 2.738 -21.601 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.552 3.090 -19.906 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.748 2.434 -20.622 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.147 1.203 -21.207 1.00 0.00 C ATOM 1062 C LEU A 68 -2.160 0.058 -21.124 1.00 0.00 C ATOM 1063 O LEU A 68 -2.939 -0.028 -20.196 1.00 0.00 O ATOM 1064 CB LEU A 68 0.113 0.826 -20.426 1.00 0.00 C ATOM 1065 CG LEU A 68 1.029 -0.022 -21.310 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.912 0.897 -22.157 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.913 -0.906 -20.428 1.00 0.00 C ATOM 0 H LEU A 68 -2.022 2.358 -19.642 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.884 1.386 -22.249 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.635 1.726 -20.102 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.156 0.272 -19.527 1.00 0.00 H new ATOM 0 HG LEU A 68 0.424 -0.650 -21.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.565 0.294 -22.788 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.283 1.528 -22.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.517 1.524 -21.503 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.566 -1.511 -21.057 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.519 -0.278 -19.774 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.285 -1.560 -19.823 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.158 -0.819 -22.091 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.124 -1.955 -22.072 1.00 0.00 C ATOM 1081 C GLU A 69 -3.115 -2.621 -20.695 1.00 0.00 C ATOM 1082 O GLU A 69 -2.172 -2.497 -19.938 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.727 -2.981 -23.136 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.642 -4.204 -23.031 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.904 -4.770 -24.428 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.972 -3.986 -25.360 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.031 -5.978 -24.542 1.00 0.00 O ATOM 0 H GLU A 69 -1.529 -0.798 -22.894 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.125 -1.578 -22.283 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.805 -2.539 -24.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.687 -3.278 -23.000 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.180 -4.964 -22.401 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.584 -3.927 -22.557 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.162 -3.329 -20.367 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.224 -4.007 -19.043 1.00 0.00 C ATOM 1096 C ALA A 70 -3.878 -5.488 -19.214 1.00 0.00 C ATOM 1097 O ALA A 70 -3.789 -5.990 -20.316 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.638 -3.878 -18.472 1.00 0.00 C ATOM 0 H ALA A 70 -4.979 -3.467 -20.962 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.512 -3.542 -18.361 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.686 -4.374 -17.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.888 -2.824 -18.353 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.349 -4.345 -19.153 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.682 -6.190 -18.132 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.342 -7.637 -18.235 1.00 0.00 C ATOM 1106 C GLU A 71 -4.161 -8.429 -17.217 1.00 0.00 C ATOM 1107 O GLU A 71 -3.940 -8.343 -16.024 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.851 -7.831 -17.952 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.568 -9.313 -17.698 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.141 -9.642 -18.138 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.070 -9.796 -19.329 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.717 -9.736 -17.275 1.00 0.00 O ATOM 0 H GLU A 71 -3.743 -5.824 -17.182 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.571 -7.993 -19.239 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.261 -7.477 -18.797 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.554 -7.240 -17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.696 -9.543 -16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.280 -9.929 -18.246 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.107 -9.204 -17.677 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.939 -10.004 -16.735 1.00 0.00 C ATOM 1121 C GLU A 72 -5.073 -10.471 -15.563 1.00 0.00 C ATOM 1122 O GLU A 72 -4.180 -11.279 -15.720 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.506 -11.220 -17.471 1.00 0.00 C ATOM 1124 CG GLU A 72 -5.366 -11.986 -18.147 1.00 0.00 C ATOM 1125 CD GLU A 72 -4.868 -13.096 -17.218 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -5.377 -13.193 -16.114 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -3.983 -13.829 -17.628 1.00 0.00 O ATOM 0 H GLU A 72 -5.339 -9.317 -18.664 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.758 -9.392 -16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.030 -11.870 -16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.235 -10.900 -18.216 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.711 -12.414 -19.088 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.549 -11.305 -18.386 1.00 0.00 H new ATOM 1134 N THR A 73 -5.328 -9.966 -14.387 1.00 0.00 N ATOM 1135 CA THR A 73 -4.516 -10.379 -13.208 1.00 0.00 C ATOM 1136 C THR A 73 -5.442 -10.893 -12.104 1.00 0.00 C ATOM 1137 O THR A 73 -6.337 -11.677 -12.345 1.00 0.00 O ATOM 1138 CB THR A 73 -3.723 -9.176 -12.690 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.249 -9.454 -11.380 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.625 -7.941 -12.658 1.00 0.00 C ATOM 0 H THR A 73 -6.063 -9.286 -14.192 1.00 0.00 H new ATOM 0 HA THR A 73 -3.827 -11.171 -13.501 1.00 0.00 H new ATOM 0 HB THR A 73 -2.877 -8.986 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.739 -8.686 -11.047 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.058 -7.086 -12.289 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.988 -7.729 -13.664 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.473 -8.127 -11.998 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.397 -12.590 -11.913 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.927 -12.090 -13.236 1.00 0.00 C ATOM 1225 C LYS A 80 -10.431 -10.662 -13.452 1.00 0.00 C ATOM 1226 O LYS A 80 -11.583 -10.442 -13.770 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.468 -12.995 -14.345 1.00 0.00 C ATOM 1228 CG LYS A 80 -9.598 -12.849 -15.595 1.00 0.00 C ATOM 1229 CD LYS A 80 -10.494 -12.722 -16.829 1.00 0.00 C ATOM 1230 CE LYS A 80 -9.674 -13.006 -18.090 1.00 0.00 C ATOM 1231 NZ LYS A 80 -9.942 -14.397 -18.553 1.00 0.00 N ATOM 0 HA LYS A 80 -8.837 -12.097 -13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.473 -14.033 -14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.500 -12.729 -14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.958 -11.971 -15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.941 -13.713 -15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.327 -13.421 -16.760 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.922 -11.721 -16.879 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.933 -12.294 -18.874 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.612 -12.879 -17.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.385 -14.591 -19.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.674 -15.069 -17.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.954 -14.503 -18.767 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.577 -9.688 -13.286 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.007 -8.276 -13.487 1.00 0.00 C ATOM 1247 C LEU A 81 -9.048 -7.584 -14.457 1.00 0.00 C ATOM 1248 O LEU A 81 -8.001 -8.105 -14.787 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.997 -7.541 -12.144 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.629 -7.703 -11.481 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.842 -6.397 -11.607 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.818 -8.042 -10.000 1.00 0.00 C ATOM 0 H LEU A 81 -8.600 -9.810 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.015 -8.259 -13.900 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.216 -6.484 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.777 -7.939 -11.494 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.080 -8.507 -11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.867 -6.513 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.708 -6.153 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.390 -5.593 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.843 -8.158 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.367 -7.238 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.379 -8.972 -9.908 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.398 -6.415 -14.920 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.507 -5.694 -15.874 1.00 0.00 C ATOM 1266 C LEU A 82 -7.738 -4.599 -15.132 1.00 0.00 C ATOM 1267 O LEU A 82 -8.283 -3.894 -14.304 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.356 -5.065 -16.980 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.103 -6.166 -17.735 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.490 -6.358 -17.117 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.252 -5.766 -19.204 1.00 0.00 C ATOM 0 H LEU A 82 -10.261 -5.928 -14.679 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.798 -6.396 -16.312 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.065 -4.357 -16.551 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.722 -4.504 -17.666 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.542 -7.098 -17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.023 -7.142 -17.655 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.386 -6.642 -16.070 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.051 -5.426 -17.186 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.784 -6.550 -19.742 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.813 -4.834 -19.272 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.265 -5.628 -19.646 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.472 -4.452 -15.422 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.661 -3.407 -14.735 1.00 0.00 C ATOM 1285 C CYS A 83 -4.795 -2.674 -15.761 1.00 0.00 C ATOM 1286 O CYS A 83 -3.752 -3.154 -16.160 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.756 -4.069 -13.693 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.262 -3.072 -13.469 1.00 0.00 S ATOM 0 H CYS A 83 -5.965 -5.012 -16.107 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.327 -2.696 -14.245 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.286 -4.167 -12.746 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.489 -5.076 -14.015 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.747 -2.795 -14.630 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.210 -1.512 -16.190 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.394 -0.759 -17.184 1.00 0.00 C ATOM 1296 C PHE A 84 -3.436 0.173 -16.444 1.00 0.00 C ATOM 1297 O PHE A 84 -3.639 0.496 -15.291 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.309 0.059 -18.099 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.398 0.714 -17.285 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.453 -0.054 -16.777 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.357 2.093 -17.043 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.465 0.557 -16.027 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.369 2.703 -16.294 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.423 1.936 -15.785 1.00 0.00 C ATOM 0 H PHE A 84 -6.073 -1.055 -15.897 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.824 -1.461 -17.793 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.729 0.818 -18.623 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.749 -0.587 -18.859 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.486 -1.117 -16.964 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.544 2.686 -17.435 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.279 -0.035 -15.635 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.337 3.766 -16.109 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.204 2.407 -15.206 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.386 0.600 -17.090 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.416 1.502 -16.407 1.00 0.00 C ATOM 1316 C ASP A 85 -1.483 2.902 -17.020 1.00 0.00 C ATOM 1317 O ASP A 85 -2.083 3.111 -18.056 1.00 0.00 O ATOM 1318 CB ASP A 85 0.000 0.944 -16.566 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.001 -0.552 -16.247 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.421 -0.906 -15.157 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.417 -1.319 -17.098 1.00 0.00 O ATOM 0 H ASP A 85 -2.158 0.365 -18.056 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.670 1.562 -15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.355 1.109 -17.583 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.686 1.468 -15.900 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.868 3.862 -16.384 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.889 5.252 -16.922 1.00 0.00 C ATOM 1328 C ALA A 86 0.470 5.910 -16.676 1.00 0.00 C ATOM 1329 O ALA A 86 0.870 6.127 -15.550 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.981 6.055 -16.214 1.00 0.00 C ATOM 0 H ALA A 86 -0.351 3.743 -15.513 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.094 5.227 -17.992 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.997 7.072 -16.607 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.949 5.584 -16.386 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.776 6.083 -15.144 1.00 0.00 H new ATOM 1336 N THR A 87 1.183 6.228 -17.721 1.00 0.00 N ATOM 1337 CA THR A 87 2.515 6.871 -17.544 1.00 0.00 C ATOM 1338 C THR A 87 2.380 8.383 -17.732 1.00 0.00 C ATOM 1339 O THR A 87 1.495 8.856 -18.418 1.00 0.00 O ATOM 1340 CB THR A 87 3.492 6.311 -18.581 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.770 5.584 -19.565 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.494 5.384 -17.891 1.00 0.00 C ATOM 0 H THR A 87 0.901 6.071 -18.689 1.00 0.00 H new ATOM 0 HA THR A 87 2.890 6.663 -16.542 1.00 0.00 H new ATOM 0 HB THR A 87 4.028 7.132 -19.057 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.394 5.226 -20.231 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.189 4.985 -18.630 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.047 5.943 -17.136 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.960 4.562 -17.414 1.00 0.00 H new ATOM 1350 N MET A 88 3.248 9.146 -17.126 1.00 0.00 N ATOM 1351 CA MET A 88 3.164 10.627 -17.268 1.00 0.00 C ATOM 1352 C MET A 88 4.536 11.244 -16.986 1.00 0.00 C ATOM 1353 O MET A 88 4.952 11.363 -15.850 1.00 0.00 O ATOM 1354 CB MET A 88 2.139 11.171 -16.268 1.00 0.00 C ATOM 1355 CG MET A 88 2.106 12.702 -16.331 1.00 0.00 C ATOM 1356 SD MET A 88 1.280 13.228 -17.853 1.00 0.00 S ATOM 1357 CE MET A 88 0.358 14.612 -17.140 1.00 0.00 C ATOM 0 H MET A 88 4.011 8.808 -16.539 1.00 0.00 H new ATOM 0 HA MET A 88 2.856 10.883 -18.282 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.151 10.768 -16.492 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.395 10.846 -15.260 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.580 13.101 -15.463 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.120 13.099 -16.300 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.207 15.115 -17.924 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.329 14.239 -16.380 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.054 15.317 -16.685 1.00 0.00 H new ATOM 1367 N GLN A 89 5.240 11.642 -18.010 1.00 0.00 N ATOM 1368 CA GLN A 89 6.581 12.256 -17.797 1.00 0.00 C ATOM 1369 C GLN A 89 6.409 13.638 -17.163 1.00 0.00 C ATOM 1370 O GLN A 89 5.776 14.512 -17.721 1.00 0.00 O ATOM 1371 CB GLN A 89 7.298 12.397 -19.141 1.00 0.00 C ATOM 1372 CG GLN A 89 8.799 12.175 -18.945 1.00 0.00 C ATOM 1373 CD GLN A 89 9.084 10.676 -18.848 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.091 9.830 -18.898 1.00 0.00 O flip ATOM 1375 NE2 GLN A 89 10.222 10.268 -18.725 1.00 0.00 N flip ATOM 0 H GLN A 89 4.945 11.569 -18.984 1.00 0.00 H new ATOM 0 HA GLN A 89 7.172 11.622 -17.137 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.903 11.673 -19.854 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.118 13.387 -19.559 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.353 12.608 -19.778 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.137 12.680 -18.040 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.999 10.928 -18.686 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.400 9.266 -18.661 1.00 0.00 H new ATOM 1384 N SER A 90 6.966 13.844 -16.001 1.00 0.00 N ATOM 1385 CA SER A 90 6.828 15.171 -15.338 1.00 0.00 C ATOM 1386 C SER A 90 7.997 15.388 -14.376 1.00 0.00 C ATOM 1387 O SER A 90 8.595 14.451 -13.886 1.00 0.00 O ATOM 1388 CB SER A 90 5.514 15.217 -14.559 1.00 0.00 C ATOM 1389 OG SER A 90 5.681 16.028 -13.405 1.00 0.00 O ATOM 0 H SER A 90 7.509 13.153 -15.484 1.00 0.00 H new ATOM 0 HA SER A 90 6.831 15.955 -16.095 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.719 15.618 -15.188 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.214 14.210 -14.270 1.00 0.00 H new ATOM 0 HG SER A 90 4.840 16.061 -12.904 1.00 0.00 H new ATOM 1395 N ALA A 91 8.326 16.621 -14.097 1.00 0.00 N ATOM 1396 CA ALA A 91 9.453 16.899 -13.165 1.00 0.00 C ATOM 1397 C ALA A 91 9.227 16.141 -11.854 1.00 0.00 C ATOM 1398 O ALA A 91 8.312 15.351 -11.734 1.00 0.00 O ATOM 1399 CB ALA A 91 9.521 18.402 -12.883 1.00 0.00 C ATOM 0 H ALA A 91 7.862 17.447 -14.475 1.00 0.00 H new ATOM 0 HA ALA A 91 10.390 16.572 -13.616 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.346 18.607 -12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.680 18.941 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.585 18.730 -12.430 1.00 0.00 H new ATOM 1405 N LEU A 92 10.053 16.375 -10.872 1.00 0.00 N ATOM 1406 CA LEU A 92 9.882 15.668 -9.571 1.00 0.00 C ATOM 1407 C LEU A 92 9.486 16.675 -8.490 1.00 0.00 C ATOM 1408 O LEU A 92 10.274 17.503 -8.081 1.00 0.00 O ATOM 1409 CB LEU A 92 11.199 14.993 -9.181 1.00 0.00 C ATOM 1410 CG LEU A 92 10.972 14.096 -7.962 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.692 12.664 -8.425 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.222 14.109 -7.079 1.00 0.00 C ATOM 0 H LEU A 92 10.838 17.025 -10.914 1.00 0.00 H new ATOM 0 HA LEU A 92 9.101 14.914 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.578 14.402 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.953 15.747 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 92 10.120 14.467 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.530 12.026 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.802 12.653 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.544 12.293 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.061 13.470 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.074 13.738 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.423 15.128 -6.748 1.00 0.00 H new ATOM 1424 N ASP A 93 8.269 16.611 -8.024 1.00 0.00 N ATOM 1425 CA ASP A 93 7.825 17.566 -6.971 1.00 0.00 C ATOM 1426 C ASP A 93 6.606 16.993 -6.244 1.00 0.00 C ATOM 1427 O ASP A 93 5.597 16.688 -6.849 1.00 0.00 O ATOM 1428 CB ASP A 93 7.450 18.901 -7.619 1.00 0.00 C ATOM 1429 CG ASP A 93 6.647 19.742 -6.625 1.00 0.00 C ATOM 1430 OD1 ASP A 93 6.936 19.665 -5.443 1.00 0.00 O ATOM 1431 OD2 ASP A 93 5.755 20.450 -7.065 1.00 0.00 O ATOM 0 H ASP A 93 7.564 15.939 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 93 8.634 17.722 -6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.350 19.436 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.864 18.728 -8.522 1.00 0.00 H new ATOM 1436 N ALA A 94 6.692 16.845 -4.950 1.00 0.00 N ATOM 1437 CA ALA A 94 5.539 16.292 -4.186 1.00 0.00 C ATOM 1438 C ALA A 94 4.279 17.094 -4.517 1.00 0.00 C ATOM 1439 O ALA A 94 3.223 16.543 -4.753 1.00 0.00 O ATOM 1440 CB ALA A 94 5.828 16.388 -2.687 1.00 0.00 C ATOM 0 H ALA A 94 7.510 17.083 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 94 5.387 15.248 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.985 15.984 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.726 15.817 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.979 17.432 -2.412 1.00 0.00 H new ATOM 1446 N LYS A 95 4.382 18.396 -4.534 1.00 0.00 N ATOM 1447 CA LYS A 95 3.191 19.235 -4.849 1.00 0.00 C ATOM 1448 C LYS A 95 2.634 18.836 -6.217 1.00 0.00 C ATOM 1449 O LYS A 95 1.552 18.292 -6.323 1.00 0.00 O ATOM 1450 CB LYS A 95 3.599 20.710 -4.874 1.00 0.00 C ATOM 1451 CG LYS A 95 2.441 21.569 -4.362 1.00 0.00 C ATOM 1452 CD LYS A 95 2.466 21.603 -2.833 1.00 0.00 C ATOM 1453 CE LYS A 95 1.034 21.681 -2.301 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.402 22.949 -2.761 1.00 0.00 N ATOM 0 H LYS A 95 5.240 18.914 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 95 2.427 19.082 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.482 20.864 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.866 21.007 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.521 22.581 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.492 21.164 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.961 20.712 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.041 22.462 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.457 20.826 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.036 21.638 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.486 23.102 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.049 23.744 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.202 22.887 -3.780 1.00 0.00 H new ATOM 1468 N LEU A 96 3.363 19.101 -7.266 1.00 0.00 N ATOM 1469 CA LEU A 96 2.873 18.737 -8.625 1.00 0.00 C ATOM 1470 C LEU A 96 2.230 17.348 -8.578 1.00 0.00 C ATOM 1471 O LEU A 96 1.125 17.149 -9.041 1.00 0.00 O ATOM 1472 CB LEU A 96 4.048 18.721 -9.606 1.00 0.00 C ATOM 1473 CG LEU A 96 3.573 19.187 -10.984 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.388 18.329 -11.436 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.141 20.652 -10.904 1.00 0.00 C ATOM 0 H LEU A 96 4.277 19.554 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 96 2.136 19.470 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.845 19.372 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.464 17.716 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 96 4.387 19.086 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.051 18.662 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.696 17.285 -11.493 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.573 18.428 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.802 20.986 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.327 20.753 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.985 21.263 -10.584 1.00 0.00 H new ATOM 1487 N ILE A 97 2.916 16.387 -8.022 1.00 0.00 N ATOM 1488 CA ILE A 97 2.347 15.011 -7.947 1.00 0.00 C ATOM 1489 C ILE A 97 1.080 15.027 -7.089 1.00 0.00 C ATOM 1490 O ILE A 97 0.249 14.145 -7.177 1.00 0.00 O ATOM 1491 CB ILE A 97 3.375 14.069 -7.320 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.611 13.994 -8.218 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.767 12.673 -7.174 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.826 13.579 -7.385 1.00 0.00 C ATOM 0 H ILE A 97 3.846 16.495 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 97 2.100 14.665 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 97 3.660 14.445 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.446 13.276 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.792 14.961 -8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.500 12.002 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.886 12.725 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.481 12.296 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.706 13.526 -8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.995 14.313 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.644 12.602 -6.938 1.00 0.00 H new ATOM 1506 N ASP A 98 0.923 16.023 -6.261 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.292 16.093 -5.402 1.00 0.00 C ATOM 1508 C ASP A 98 -1.501 16.469 -6.262 1.00 0.00 C ATOM 1509 O ASP A 98 -2.586 15.950 -6.086 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.089 17.150 -4.315 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.197 17.025 -3.268 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.318 16.731 -3.653 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -0.908 17.223 -2.100 1.00 0.00 O ATOM 0 H ASP A 98 1.584 16.791 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.465 15.123 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.886 17.021 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.101 18.147 -4.756 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.322 17.364 -7.194 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.460 17.771 -8.066 1.00 0.00 C ATOM 1520 C GLU A 99 -2.711 16.681 -9.110 1.00 0.00 C ATOM 1521 O GLU A 99 -3.834 16.284 -9.351 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.119 19.086 -8.771 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.033 19.822 -7.983 1.00 0.00 C ATOM 1524 CD GLU A 99 -1.113 21.319 -8.282 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -2.217 21.824 -8.401 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.066 21.938 -8.387 1.00 0.00 O ATOM 0 H GLU A 99 -0.437 17.831 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.355 17.908 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.775 18.888 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.010 19.709 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.161 19.646 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.049 19.438 -8.253 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.672 16.191 -9.730 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.851 15.125 -10.754 1.00 0.00 C ATOM 1535 C GLN A 100 -2.635 13.963 -10.140 1.00 0.00 C ATOM 1536 O GLN A 100 -3.612 13.499 -10.693 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.481 14.628 -11.218 1.00 0.00 C ATOM 1538 CG GLN A 100 0.190 15.707 -12.070 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.175 15.498 -13.540 1.00 0.00 C ATOM 1540 OE1 GLN A 100 0.630 15.024 -14.318 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -1.364 15.834 -13.960 1.00 0.00 N ATOM 0 H GLN A 100 -0.708 16.483 -9.571 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.398 15.525 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.142 14.390 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.591 13.710 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.131 16.696 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.272 15.664 -11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.041 16.232 -13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.616 15.699 -14.939 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.216 13.494 -8.996 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.941 12.368 -8.344 1.00 0.00 C ATOM 1552 C VAL A 101 -4.371 12.809 -8.028 1.00 0.00 C ATOM 1553 O VAL A 101 -5.329 12.218 -8.489 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.226 11.981 -7.048 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.076 10.969 -6.277 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.871 11.354 -7.385 1.00 0.00 C ATOM 0 H VAL A 101 -1.404 13.842 -8.486 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.962 11.508 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.076 12.870 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.566 10.694 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.043 11.412 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.226 10.079 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.359 11.077 -6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.024 10.465 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.264 12.073 -7.935 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.525 13.846 -7.250 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.894 14.325 -6.913 1.00 0.00 C ATOM 1568 C GLU A 102 -6.769 14.260 -8.165 1.00 0.00 C ATOM 1569 O GLU A 102 -7.916 13.862 -8.114 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.820 15.771 -6.415 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.209 16.230 -5.963 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.731 17.301 -6.922 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -7.237 18.416 -6.860 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.616 16.990 -7.702 1.00 0.00 O ATOM 0 H GLU A 102 -3.763 14.381 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.323 13.696 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.114 15.846 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.451 16.421 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.894 15.382 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.160 16.627 -4.949 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.234 14.644 -9.293 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.032 14.600 -10.549 1.00 0.00 C ATOM 1583 C LYS A 103 -7.429 13.153 -10.844 1.00 0.00 C ATOM 1584 O LYS A 103 -8.553 12.869 -11.209 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.193 15.144 -11.708 1.00 0.00 C ATOM 1586 CG LYS A 103 -7.064 15.253 -12.962 1.00 0.00 C ATOM 1587 CD LYS A 103 -7.628 16.671 -13.077 1.00 0.00 C ATOM 1588 CE LYS A 103 -6.768 17.487 -14.043 1.00 0.00 C ATOM 1589 NZ LYS A 103 -7.381 18.831 -14.240 1.00 0.00 N ATOM 0 H LYS A 103 -5.279 14.986 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.928 15.210 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.786 16.121 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.345 14.486 -11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.475 15.013 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.878 14.530 -12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.658 16.636 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.644 17.148 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.757 17.591 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.685 16.970 -14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.796 19.386 -14.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.337 18.722 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.438 19.324 -13.326 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.515 12.234 -10.684 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.841 10.806 -10.952 1.00 0.00 C ATOM 1605 C LEU A 104 -7.906 10.336 -9.959 1.00 0.00 C ATOM 1606 O LEU A 104 -9.007 9.991 -10.333 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.581 9.954 -10.788 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.744 10.022 -12.066 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.432 9.263 -11.858 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.521 9.384 -13.219 1.00 0.00 C ATOM 0 H LEU A 104 -5.558 12.411 -10.380 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.218 10.703 -11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.997 10.311 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.854 8.920 -10.575 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.529 11.064 -12.303 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.835 9.311 -12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.877 9.715 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.648 8.221 -11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.925 9.432 -14.130 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.736 8.342 -12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.457 9.922 -13.369 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.584 10.322 -8.694 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.577 9.875 -7.677 1.00 0.00 C ATOM 1624 C VAL A 105 -9.937 10.512 -7.976 1.00 0.00 C ATOM 1625 O VAL A 105 -10.971 9.901 -7.796 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.107 10.303 -6.285 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.289 10.273 -5.314 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.022 9.342 -5.796 1.00 0.00 C ATOM 0 H VAL A 105 -6.676 10.601 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.670 8.790 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.703 11.314 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.953 10.578 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.063 10.957 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.694 9.262 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.687 9.646 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.426 8.331 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.179 9.363 -6.487 1.00 0.00 H new ATOM 1638 N ASN A 106 -9.944 11.736 -8.428 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.237 12.410 -8.736 1.00 0.00 C ATOM 1640 C ASN A 106 -11.945 11.662 -9.869 1.00 0.00 C ATOM 1641 O ASN A 106 -13.103 11.311 -9.766 1.00 0.00 O ATOM 1642 CB ASN A 106 -10.971 13.853 -9.168 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.020 14.770 -7.945 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.077 15.218 -7.549 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -9.911 15.071 -7.325 1.00 0.00 N ATOM 0 H ASN A 106 -9.110 12.299 -8.597 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.868 12.407 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.996 13.925 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.714 14.167 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.933 15.682 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.023 14.695 -7.657 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.257 11.417 -10.950 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.890 10.694 -12.089 1.00 0.00 C ATOM 1654 C LEU A 107 -12.211 9.259 -11.665 1.00 0.00 C ATOM 1655 O LEU A 107 -13.327 8.798 -11.794 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.924 10.669 -13.275 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.602 9.995 -14.470 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -12.558 10.981 -15.149 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.535 9.547 -15.473 1.00 0.00 C ATOM 0 H LEU A 107 -10.284 11.686 -11.094 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.809 11.203 -12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.626 11.684 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.016 10.130 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.166 9.129 -14.123 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -13.038 10.496 -15.999 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.319 11.300 -14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.999 11.850 -15.496 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.016 9.067 -16.325 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.971 10.414 -15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.858 8.841 -14.993 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.238 8.549 -11.162 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.485 7.145 -10.732 1.00 0.00 C ATOM 1673 C ALA A 108 -12.789 7.075 -9.934 1.00 0.00 C ATOM 1674 O ALA A 108 -13.596 6.188 -10.124 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.325 6.669 -9.855 1.00 0.00 C ATOM 0 H ALA A 108 -10.283 8.881 -11.031 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.563 6.506 -11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.505 5.641 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.396 6.717 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.246 7.309 -8.976 1.00 0.00 H new ATOM 1681 N GLU A 109 -12.999 8.003 -9.040 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.249 7.986 -8.229 1.00 0.00 C ATOM 1683 C GLU A 109 -15.405 8.548 -9.058 1.00 0.00 C ATOM 1684 O GLU A 109 -16.562 8.360 -8.733 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.057 8.845 -6.977 1.00 0.00 C ATOM 1686 CG GLU A 109 -12.886 8.301 -6.158 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.328 7.043 -5.408 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.047 7.181 -4.432 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -12.941 5.963 -5.822 1.00 0.00 O ATOM 0 H GLU A 109 -12.360 8.771 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.476 6.961 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.867 9.880 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.967 8.840 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.046 8.070 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.541 9.056 -5.452 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.104 9.236 -10.125 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.188 9.810 -10.971 1.00 0.00 C ATOM 1698 C LYS A 110 -16.841 8.701 -11.798 1.00 0.00 C ATOM 1699 O LYS A 110 -17.993 8.792 -12.175 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.597 10.865 -11.909 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.712 11.465 -12.771 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.731 10.775 -14.137 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.639 11.554 -15.090 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.015 10.987 -15.037 1.00 0.00 N ATOM 0 H LYS A 110 -14.155 9.425 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.940 10.271 -10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.109 11.649 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.834 10.415 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.675 11.341 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.553 12.536 -12.895 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.721 10.721 -14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.088 9.750 -14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.657 12.608 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.250 11.499 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.634 11.516 -15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.990 9.987 -15.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.384 11.062 -14.068 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.118 7.654 -12.087 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.706 6.547 -12.892 1.00 0.00 C ATOM 1720 C PHE A 111 -17.124 5.400 -11.968 1.00 0.00 C ATOM 1721 O PHE A 111 -18.289 5.229 -11.667 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.673 6.047 -13.905 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.846 6.796 -15.205 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -17.071 6.749 -15.881 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.784 7.541 -15.731 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.233 7.446 -17.085 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.946 8.238 -16.935 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.171 8.190 -17.611 1.00 0.00 C ATOM 0 H PHE A 111 -15.148 7.518 -11.801 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.584 6.914 -13.424 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.665 6.196 -13.518 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.796 4.977 -14.069 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.891 6.176 -15.474 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.840 7.578 -15.208 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -18.178 7.409 -17.607 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.127 8.812 -17.342 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.296 8.728 -18.539 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.189 4.611 -11.511 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.552 3.482 -10.607 1.00 0.00 C ATOM 1740 C ASP A 112 -15.365 2.527 -10.463 1.00 0.00 C ATOM 1741 O ASP A 112 -15.534 1.330 -10.333 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.743 2.723 -11.197 1.00 0.00 C ATOM 1743 CG ASP A 112 -19.024 3.137 -10.471 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -19.019 3.127 -9.250 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.988 3.455 -11.147 1.00 0.00 O ATOM 0 H ASP A 112 -15.195 4.698 -11.723 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.815 3.878 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.831 2.936 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.588 1.649 -11.098 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.166 3.039 -10.480 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.980 2.148 -10.340 1.00 0.00 C ATOM 1752 C ILE A 113 -12.203 2.526 -9.078 1.00 0.00 C ATOM 1753 O ILE A 113 -12.438 3.556 -8.478 1.00 0.00 O ATOM 1754 CB ILE A 113 -12.073 2.307 -11.560 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.338 3.645 -11.473 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.919 2.271 -12.835 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.720 3.976 -12.833 1.00 0.00 C ATOM 0 H ILE A 113 -13.956 4.032 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.313 1.113 -10.267 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.348 1.493 -11.584 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.029 4.433 -11.174 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.561 3.596 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -12.272 2.384 -13.705 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -13.445 1.318 -12.896 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.644 3.085 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.196 4.930 -12.772 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.016 3.192 -13.113 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.507 4.042 -13.584 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.279 1.701 -8.672 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.487 2.012 -7.449 1.00 0.00 C ATOM 1771 C ILE A 114 -9.032 2.282 -7.842 1.00 0.00 C ATOM 1772 O ILE A 114 -8.266 1.373 -8.088 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.548 0.823 -6.487 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.425 0.940 -5.454 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.385 -0.478 -7.272 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.504 2.303 -4.765 1.00 0.00 C ATOM 0 H ILE A 114 -11.038 0.824 -9.134 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.900 2.894 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.511 0.821 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.511 0.142 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.456 0.822 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.428 -1.324 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.187 -0.563 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.423 -0.475 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.704 2.386 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.397 3.093 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.468 2.403 -4.266 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.650 3.528 -7.907 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.248 3.860 -8.286 1.00 0.00 C ATOM 1790 C TYR A 115 -6.390 3.970 -7.023 1.00 0.00 C ATOM 1791 O TYR A 115 -6.571 4.857 -6.213 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.231 5.194 -9.043 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.919 5.904 -8.803 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.718 5.184 -8.821 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.905 7.283 -8.562 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.504 5.843 -8.597 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.691 7.942 -8.339 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.489 7.222 -8.356 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.292 7.873 -8.136 1.00 0.00 O ATOM 0 H TYR A 115 -9.249 4.331 -7.714 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.844 3.075 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.370 5.019 -10.110 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -8.059 5.820 -8.712 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.729 4.120 -9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.831 7.838 -8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.578 5.287 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.680 9.006 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.617 7.537 -8.762 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.455 3.076 -6.850 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.586 3.131 -5.640 1.00 0.00 C ATOM 1811 C ASP A 116 -3.313 2.318 -5.890 1.00 0.00 C ATOM 1812 O ASP A 116 -3.193 1.189 -5.458 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.338 2.546 -4.444 1.00 0.00 C ATOM 1814 CG ASP A 116 -5.934 1.191 -4.828 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -6.244 1.012 -5.995 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -6.069 0.354 -3.951 1.00 0.00 O ATOM 0 H ASP A 116 -5.255 2.310 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.321 4.167 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.662 2.431 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.129 3.227 -4.130 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.363 2.884 -6.584 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.099 2.141 -6.858 1.00 0.00 C ATOM 1823 C GLY A 117 -0.254 2.921 -7.867 1.00 0.00 C ATOM 1824 O GLY A 117 -0.301 2.668 -9.055 1.00 0.00 O ATOM 0 H GLY A 117 -2.407 3.826 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.540 2.000 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.326 1.149 -7.248 1.00 0.00 H new ATOM 1828 N TRP A 118 0.520 3.866 -7.406 1.00 0.00 N ATOM 1829 CA TRP A 118 1.367 4.658 -8.342 1.00 0.00 C ATOM 1830 C TRP A 118 2.843 4.485 -7.969 1.00 0.00 C ATOM 1831 O TRP A 118 3.180 4.264 -6.823 1.00 0.00 O ATOM 1832 CB TRP A 118 0.981 6.137 -8.251 1.00 0.00 C ATOM 1833 CG TRP A 118 1.757 6.795 -7.155 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.337 6.926 -5.875 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.077 7.408 -7.217 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.314 7.582 -5.149 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.407 7.900 -5.931 1.00 0.00 C ATOM 1838 CE3 TRP A 118 4.012 7.584 -8.254 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.619 8.544 -5.683 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.234 8.233 -8.007 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.536 8.711 -6.724 1.00 0.00 C ATOM 0 H TRP A 118 0.602 4.123 -6.422 1.00 0.00 H new ATOM 0 HA TRP A 118 1.211 4.306 -9.362 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.181 6.634 -9.200 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.088 6.233 -8.061 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.393 6.575 -5.485 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.237 7.804 -4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.789 7.218 -9.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.847 8.911 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.944 8.364 -8.810 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.477 9.208 -6.540 1.00 0.00 H new ATOM 1852 N GLY A 119 3.724 4.586 -8.927 1.00 0.00 N ATOM 1853 CA GLY A 119 5.176 4.428 -8.625 1.00 0.00 C ATOM 1854 C GLY A 119 6.002 4.967 -9.793 1.00 0.00 C ATOM 1855 O GLY A 119 5.519 5.098 -10.900 1.00 0.00 O ATOM 0 H GLY A 119 3.502 4.771 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.428 4.964 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.410 3.377 -8.454 1.00 0.00 H new ATOM 1859 N THR A 120 7.247 5.283 -9.558 1.00 0.00 N ATOM 1860 CA THR A 120 8.102 5.814 -10.657 1.00 0.00 C ATOM 1861 C THR A 120 9.453 5.095 -10.649 1.00 0.00 C ATOM 1862 O THR A 120 9.793 4.404 -9.709 1.00 0.00 O ATOM 1863 CB THR A 120 8.322 7.315 -10.453 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.306 7.776 -11.368 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.794 7.575 -9.021 1.00 0.00 C ATOM 0 H THR A 120 7.708 5.196 -8.652 1.00 0.00 H new ATOM 0 HA THR A 120 7.608 5.645 -11.614 1.00 0.00 H new ATOM 0 HB THR A 120 7.386 7.846 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 120 8.866 8.185 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.950 8.644 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.039 7.221 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.730 7.045 -8.844 1.00 0.00 H new ATOM 1873 N TYR A 121 10.226 5.251 -11.689 1.00 0.00 N ATOM 1874 CA TYR A 121 11.554 4.578 -11.739 1.00 0.00 C ATOM 1875 C TYR A 121 12.661 5.626 -11.608 1.00 0.00 C ATOM 1876 O TYR A 121 12.458 6.794 -11.876 1.00 0.00 O ATOM 1877 CB TYR A 121 11.706 3.846 -13.075 1.00 0.00 C ATOM 1878 CG TYR A 121 10.488 2.989 -13.323 1.00 0.00 C ATOM 1879 CD1 TYR A 121 9.273 3.583 -13.682 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.576 1.597 -13.194 1.00 0.00 C ATOM 1881 CE1 TYR A 121 8.145 2.787 -13.913 1.00 0.00 C ATOM 1882 CE2 TYR A 121 9.449 0.801 -13.425 1.00 0.00 C ATOM 1883 CZ TYR A 121 8.233 1.396 -13.784 1.00 0.00 C ATOM 1884 OH TYR A 121 7.121 0.610 -14.011 1.00 0.00 O ATOM 0 H TYR A 121 9.995 5.816 -12.506 1.00 0.00 H new ATOM 0 HA TYR A 121 11.629 3.862 -10.920 1.00 0.00 H new ATOM 0 HB2 TYR A 121 11.828 4.566 -13.884 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.603 3.227 -13.062 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.205 4.656 -13.781 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.514 1.138 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 121 7.207 3.246 -14.191 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.517 -0.272 -13.326 1.00 0.00 H new ATOM 0 HH TYR A 121 6.324 1.178 -14.062 1.00 0.00 H new