USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 60 ASN :FLIP amide:sc= -0.352 F(o=-1.9,f=0.28) USER MOD Set 1.2: A 102 TYR OH : rot 48:sc= 0.628 USER MOD Set 2.1: A 97 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 78 MET CE :methyl -153:sc= -1.99 (180deg=-3.33!) USER MOD Set 3.2: A 93 TYR OH : rot 165:sc=-0.00227 USER MOD Set 4.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 54 SER OG : rot 180:sc= -0.0415 USER MOD Set 4.3: A 56 TYR OH : rot 150:sc= 0.113 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.134 F(o=-0.95,f=-0.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.2 K(o=-1.2,f=-6.2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 33 MET CE :methyl 166:sc= -6.1! (180deg=-7.16!) USER MOD Single : A 34 THR OG1 : rot -75:sc= 1.41 USER MOD Single : A 37 GLN : amide:sc= -0.195 K(o=-0.19,f=-2.5!) USER MOD Single : A 39 CYS SG : rot 54:sc= -1.99 USER MOD Single : A 40 SER OG : rot -51:sc= 0.589 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -66:sc= 0.686 USER MOD Single : A 62 ASN : amide:sc= -0.99 K(o=-0.99,f=-6.2!) USER MOD Single : A 64 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.555 USER MOD Single : A 73 ASN : amide:sc= -0.854 X(o=-0.85,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= -0.0495 K(o=-0.05,f=-1.7!) USER MOD Single : A 75 GLN : amide:sc= -3.95! C(o=-4!,f=-4.3!) USER MOD Single : A 77 MET CE :methyl 164:sc= -0.148 (180deg=-0.646) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 85 SER OG : rot -19:sc= 0.584 USER MOD Single : A 92 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.330 -3.591 -13.116 1.00 0.00 N ATOM 186 CA LYS A 16 -1.028 -2.312 -13.081 1.00 0.00 C ATOM 187 C LYS A 16 -0.045 -1.159 -12.906 1.00 0.00 C ATOM 188 O LYS A 16 1.131 -1.374 -12.610 1.00 0.00 O ATOM 189 CB LYS A 16 -2.054 -2.298 -11.946 1.00 0.00 C ATOM 190 CG LYS A 16 -3.022 -3.468 -11.986 1.00 0.00 C ATOM 191 CD LYS A 16 -4.109 -3.257 -13.027 1.00 0.00 C ATOM 192 CE LYS A 16 -5.347 -4.083 -12.715 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.533 -3.619 -13.487 1.00 0.00 N ATOM 0 HA LYS A 16 -1.545 -2.184 -14.032 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.528 -2.305 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.620 -1.367 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.477 -4.385 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.477 -3.598 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.376 -2.201 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.728 -3.528 -14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.152 -5.131 -12.944 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.563 -4.025 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.356 -4.207 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.735 -2.627 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.337 -3.698 -14.505 1.00 0.00 H new ATOM 207 N ILE A 17 -0.534 0.063 -13.089 1.00 0.00 N ATOM 208 CA ILE A 17 0.303 1.248 -12.948 1.00 0.00 C ATOM 209 C ILE A 17 0.395 1.686 -11.491 1.00 0.00 C ATOM 210 O ILE A 17 1.391 2.275 -11.071 1.00 0.00 O ATOM 211 CB ILE A 17 -0.235 2.420 -13.792 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.663 3.648 -13.629 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.666 2.746 -13.393 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.508 4.661 -14.741 1.00 0.00 C ATOM 0 H ILE A 17 -1.504 0.258 -13.335 1.00 0.00 H new ATOM 0 HA ILE A 17 1.296 0.978 -13.307 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.229 2.126 -14.842 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.438 4.129 -12.677 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.703 3.324 -13.585 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.032 3.576 -13.998 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.297 1.872 -13.555 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.696 3.024 -12.339 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.174 5.505 -14.560 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.761 4.197 -15.694 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.523 5.013 -14.771 1.00 0.00 H new ATOM 226 N TRP A 18 -0.649 1.393 -10.724 1.00 0.00 N ATOM 227 CA TRP A 18 -0.685 1.755 -9.311 1.00 0.00 C ATOM 228 C TRP A 18 -0.077 0.653 -8.451 1.00 0.00 C ATOM 229 O TRP A 18 0.240 0.869 -7.281 1.00 0.00 O ATOM 230 CB TRP A 18 -2.124 2.028 -8.870 1.00 0.00 C ATOM 231 CG TRP A 18 -3.082 0.944 -9.264 1.00 0.00 C ATOM 232 CD1 TRP A 18 -3.980 0.977 -10.292 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.237 -0.332 -8.634 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.684 -0.202 -10.339 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.247 -1.022 -9.333 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.621 -0.960 -7.548 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.653 -2.306 -8.980 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.025 -2.235 -7.199 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.032 -2.897 -7.913 1.00 0.00 C ATOM 0 H TRP A 18 -1.481 0.906 -11.056 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.094 2.661 -9.178 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.148 2.148 -7.787 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.456 2.972 -9.303 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.117 1.808 -10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.414 -0.430 -11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.843 -0.458 -6.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.430 -2.817 -9.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.556 -2.729 -6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.324 -3.893 -7.616 1.00 0.00 H new ATOM 250 N PHE A 19 0.083 -0.529 -9.037 1.00 0.00 N ATOM 251 CA PHE A 19 0.653 -1.665 -8.323 1.00 0.00 C ATOM 252 C PHE A 19 2.176 -1.661 -8.422 1.00 0.00 C ATOM 253 O PHE A 19 2.744 -1.224 -9.423 1.00 0.00 O ATOM 254 CB PHE A 19 0.098 -2.977 -8.883 1.00 0.00 C ATOM 255 CG PHE A 19 0.670 -4.200 -8.224 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.351 -4.507 -6.911 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.524 -5.041 -8.917 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.876 -5.631 -6.302 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.052 -6.167 -8.313 1.00 0.00 C ATOM 260 CZ PHE A 19 1.727 -6.463 -7.004 1.00 0.00 C ATOM 0 H PHE A 19 -0.174 -0.725 -10.004 1.00 0.00 H new ATOM 0 HA PHE A 19 0.374 -1.579 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.986 -2.984 -8.765 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.302 -3.021 -9.953 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.315 -3.861 -6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.781 -4.815 -9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.621 -5.859 -5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.718 -6.814 -8.864 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.137 -7.343 -6.530 1.00 0.00 H new ATOM 270 N HIS A 20 2.832 -2.151 -7.374 1.00 0.00 N ATOM 271 CA HIS A 20 4.289 -2.204 -7.342 1.00 0.00 C ATOM 272 C HIS A 20 4.772 -3.541 -6.786 1.00 0.00 C ATOM 273 O HIS A 20 4.355 -3.963 -5.708 1.00 0.00 O ATOM 274 CB HIS A 20 4.844 -1.057 -6.496 1.00 0.00 C ATOM 275 CG HIS A 20 4.769 0.276 -7.174 1.00 0.00 C ATOM 276 ND1 HIS A 20 3.794 1.215 -7.176 1.00 0.00 N flip ATOM 277 CD2 HIS A 20 5.782 0.776 -7.965 1.00 0.00 C flip ATOM 278 CE1 HIS A 20 4.231 2.255 -7.960 1.00 0.00 C flip ATOM 279 NE2 HIS A 20 5.434 1.965 -8.424 1.00 0.00 N flip ATOM 0 H HIS A 20 2.378 -2.516 -6.537 1.00 0.00 H new ATOM 0 HA HIS A 20 4.654 -2.102 -8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.293 -1.009 -5.557 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.883 -1.270 -6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 20 6.715 0.274 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.681 3.162 -8.164 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.998 2.558 -9.033 1.00 0.00 H new ATOM 287 N GLY A 21 5.652 -4.203 -7.531 1.00 0.00 N ATOM 288 CA GLY A 21 6.176 -5.485 -7.097 1.00 0.00 C ATOM 289 C GLY A 21 7.685 -5.563 -7.210 1.00 0.00 C ATOM 290 O GLY A 21 8.336 -6.285 -6.454 1.00 0.00 O ATOM 0 H GLY A 21 6.011 -3.874 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.883 -5.662 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.728 -6.278 -7.696 1.00 0.00 H new ATOM 294 N LYS A 22 8.245 -4.820 -8.159 1.00 0.00 N ATOM 295 CA LYS A 22 9.687 -4.808 -8.370 1.00 0.00 C ATOM 296 C LYS A 22 10.389 -3.994 -7.288 1.00 0.00 C ATOM 297 O LYS A 22 11.251 -4.506 -6.573 1.00 0.00 O ATOM 298 CB LYS A 22 10.017 -4.233 -9.750 1.00 0.00 C ATOM 299 CG LYS A 22 9.632 -5.150 -10.898 1.00 0.00 C ATOM 300 CD LYS A 22 10.757 -6.111 -11.245 1.00 0.00 C ATOM 301 CE LYS A 22 10.248 -7.298 -12.049 1.00 0.00 C ATOM 302 NZ LYS A 22 10.233 -7.012 -13.510 1.00 0.00 N ATOM 0 H LYS A 22 7.721 -4.218 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 22 10.045 -5.836 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.503 -3.279 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.086 -4.028 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.739 -5.715 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.380 -4.552 -11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.523 -5.585 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.229 -6.466 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.879 -8.165 -11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.242 -7.556 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.880 -7.845 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.611 -6.200 -13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.197 -6.791 -13.830 1.00 0.00 H new ATOM 316 N ILE A 23 10.014 -2.724 -7.172 1.00 0.00 N ATOM 317 CA ILE A 23 10.605 -1.841 -6.175 1.00 0.00 C ATOM 318 C ILE A 23 10.475 -2.428 -4.774 1.00 0.00 C ATOM 319 O ILE A 23 10.002 -3.551 -4.602 1.00 0.00 O ATOM 320 CB ILE A 23 9.950 -0.447 -6.198 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.510 -0.528 -5.687 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.987 0.132 -7.604 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.949 0.806 -5.248 1.00 0.00 C ATOM 0 H ILE A 23 9.303 -2.284 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 23 11.661 -1.742 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 23 10.513 0.214 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.877 -0.938 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.469 -1.224 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.521 1.117 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.022 0.221 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.445 -0.526 -8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.925 0.673 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.559 1.209 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.958 1.499 -6.089 1.00 0.00 H new ATOM 335 N SER A 24 10.898 -1.660 -3.775 1.00 0.00 N ATOM 336 CA SER A 24 10.831 -2.105 -2.388 1.00 0.00 C ATOM 337 C SER A 24 10.042 -1.114 -1.537 1.00 0.00 C ATOM 338 O SER A 24 9.550 -0.102 -2.037 1.00 0.00 O ATOM 339 CB SER A 24 12.239 -2.277 -1.816 1.00 0.00 C ATOM 340 OG SER A 24 12.890 -3.397 -2.391 1.00 0.00 O ATOM 0 H SER A 24 11.291 -0.727 -3.900 1.00 0.00 H new ATOM 0 HA SER A 24 10.318 -3.066 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.824 -1.377 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.183 -2.401 -0.734 1.00 0.00 H new ATOM 0 HG SER A 24 13.789 -3.484 -2.010 1.00 0.00 H new ATOM 346 N LYS A 25 9.925 -1.413 -0.248 1.00 0.00 N ATOM 347 CA LYS A 25 9.198 -0.550 0.676 1.00 0.00 C ATOM 348 C LYS A 25 9.801 0.851 0.700 1.00 0.00 C ATOM 349 O LYS A 25 9.094 1.843 0.526 1.00 0.00 O ATOM 350 CB LYS A 25 9.212 -1.148 2.084 1.00 0.00 C ATOM 351 CG LYS A 25 8.755 -0.179 3.161 1.00 0.00 C ATOM 352 CD LYS A 25 9.000 -0.737 4.553 1.00 0.00 C ATOM 353 CE LYS A 25 8.451 0.188 5.628 1.00 0.00 C ATOM 354 NZ LYS A 25 6.985 0.009 5.819 1.00 0.00 N ATOM 0 H LYS A 25 10.325 -2.247 0.181 1.00 0.00 H new ATOM 0 HA LYS A 25 8.167 -0.477 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.569 -2.028 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.222 -1.486 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.284 0.767 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.693 0.033 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.532 -1.717 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.070 -0.880 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.966 -0.004 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.658 1.223 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.650 0.657 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.491 0.217 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.789 -0.972 6.103 1.00 0.00 H new ATOM 368 N GLN A 26 11.110 0.923 0.916 1.00 0.00 N ATOM 369 CA GLN A 26 11.807 2.203 0.962 1.00 0.00 C ATOM 370 C GLN A 26 11.525 3.022 -0.293 1.00 0.00 C ATOM 371 O GLN A 26 11.008 4.136 -0.215 1.00 0.00 O ATOM 372 CB GLN A 26 13.313 1.983 1.113 1.00 0.00 C ATOM 373 CG GLN A 26 14.063 3.214 1.596 1.00 0.00 C ATOM 374 CD GLN A 26 14.449 4.144 0.463 1.00 0.00 C ATOM 375 OE1 GLN A 26 14.196 3.854 -0.707 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.065 5.269 0.804 1.00 0.00 N ATOM 0 H GLN A 26 11.709 0.111 1.062 1.00 0.00 H new ATOM 0 HA GLN A 26 11.439 2.757 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.484 1.166 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.724 1.671 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.443 3.756 2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.962 2.902 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.255 5.469 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.349 5.934 0.084 1.00 0.00 H new ATOM 385 N GLU A 27 11.868 2.462 -1.449 1.00 0.00 N ATOM 386 CA GLU A 27 11.652 3.142 -2.721 1.00 0.00 C ATOM 387 C GLU A 27 10.305 3.859 -2.732 1.00 0.00 C ATOM 388 O GLU A 27 10.226 5.051 -3.031 1.00 0.00 O ATOM 389 CB GLU A 27 11.720 2.143 -3.877 1.00 0.00 C ATOM 390 CG GLU A 27 13.128 1.912 -4.400 1.00 0.00 C ATOM 391 CD GLU A 27 13.872 0.846 -3.620 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.716 0.798 -2.382 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.611 0.059 -4.249 1.00 0.00 O ATOM 0 H GLU A 27 12.296 1.540 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 27 12.441 3.884 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.303 1.191 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.093 2.501 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.079 1.621 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.687 2.847 -4.354 1.00 0.00 H new ATOM 400 N ALA A 28 9.247 3.124 -2.406 1.00 0.00 N ATOM 401 CA ALA A 28 7.904 3.689 -2.377 1.00 0.00 C ATOM 402 C ALA A 28 7.910 5.091 -1.778 1.00 0.00 C ATOM 403 O ALA A 28 7.348 6.024 -2.351 1.00 0.00 O ATOM 404 CB ALA A 28 6.967 2.782 -1.593 1.00 0.00 C ATOM 0 H ALA A 28 9.294 2.136 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 28 7.546 3.763 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.967 3.216 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.930 1.801 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.332 2.678 -0.571 1.00 0.00 H new ATOM 410 N TYR A 29 8.549 5.232 -0.622 1.00 0.00 N ATOM 411 CA TYR A 29 8.626 6.520 0.057 1.00 0.00 C ATOM 412 C TYR A 29 9.189 7.592 -0.871 1.00 0.00 C ATOM 413 O TYR A 29 8.535 8.597 -1.145 1.00 0.00 O ATOM 414 CB TYR A 29 9.494 6.408 1.311 1.00 0.00 C ATOM 415 CG TYR A 29 8.769 5.818 2.499 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.971 6.611 3.315 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.883 4.468 2.808 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.306 6.077 4.402 1.00 0.00 C ATOM 419 CE2 TYR A 29 8.221 3.925 3.892 1.00 0.00 C ATOM 420 CZ TYR A 29 7.434 4.733 4.686 1.00 0.00 C ATOM 421 OH TYR A 29 6.775 4.196 5.767 1.00 0.00 O ATOM 0 H TYR A 29 9.021 4.470 -0.135 1.00 0.00 H new ATOM 0 HA TYR A 29 7.616 6.810 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.365 5.793 1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.863 7.399 1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.869 7.664 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.500 3.832 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.690 6.708 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.319 2.873 4.117 1.00 0.00 H new ATOM 0 HH TYR A 29 6.970 3.237 5.826 1.00 0.00 H new ATOM 431 N ASN A 30 10.407 7.368 -1.353 1.00 0.00 N ATOM 432 CA ASN A 30 11.060 8.314 -2.251 1.00 0.00 C ATOM 433 C ASN A 30 10.169 8.630 -3.448 1.00 0.00 C ATOM 434 O ASN A 30 10.046 9.786 -3.856 1.00 0.00 O ATOM 435 CB ASN A 30 12.399 7.752 -2.732 1.00 0.00 C ATOM 436 CG ASN A 30 13.116 8.695 -3.678 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.966 9.914 -3.590 1.00 0.00 O ATOM 438 ND2 ASN A 30 13.900 8.134 -4.591 1.00 0.00 N ATOM 0 H ASN A 30 10.962 6.540 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 30 11.239 9.237 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.036 7.552 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.231 6.798 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.407 8.718 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.995 7.119 -4.628 1.00 0.00 H new ATOM 445 N LEU A 31 9.550 7.597 -4.007 1.00 0.00 N ATOM 446 CA LEU A 31 8.669 7.764 -5.158 1.00 0.00 C ATOM 447 C LEU A 31 7.554 8.758 -4.851 1.00 0.00 C ATOM 448 O LEU A 31 7.454 9.810 -5.485 1.00 0.00 O ATOM 449 CB LEU A 31 8.068 6.417 -5.565 1.00 0.00 C ATOM 450 CG LEU A 31 9.053 5.378 -6.103 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.488 3.975 -5.944 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.383 5.660 -7.561 1.00 0.00 C ATOM 0 H LEU A 31 9.641 6.634 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 31 9.262 8.155 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.559 5.992 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.308 6.596 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 31 9.974 5.445 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.202 3.249 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.304 3.774 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.552 3.895 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.085 4.911 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.470 5.622 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.831 6.650 -7.648 1.00 0.00 H new ATOM 464 N LEU A 32 6.721 8.422 -3.874 1.00 0.00 N ATOM 465 CA LEU A 32 5.614 9.286 -3.480 1.00 0.00 C ATOM 466 C LEU A 32 6.122 10.656 -3.040 1.00 0.00 C ATOM 467 O LEU A 32 5.346 11.599 -2.893 1.00 0.00 O ATOM 468 CB LEU A 32 4.813 8.640 -2.349 1.00 0.00 C ATOM 469 CG LEU A 32 3.718 7.661 -2.775 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.206 6.877 -1.577 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.577 8.402 -3.458 1.00 0.00 C ATOM 0 H LEU A 32 6.791 7.556 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 32 4.965 9.420 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.507 8.114 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.354 9.432 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 32 4.145 6.956 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.428 6.186 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.027 6.316 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.795 7.567 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.807 7.690 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.152 9.130 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.955 8.917 -4.341 1.00 0.00 H new ATOM 483 N MET A 33 7.431 10.757 -2.834 1.00 0.00 N ATOM 484 CA MET A 33 8.044 12.012 -2.415 1.00 0.00 C ATOM 485 C MET A 33 8.580 12.784 -3.616 1.00 0.00 C ATOM 486 O MET A 33 8.824 13.988 -3.536 1.00 0.00 O ATOM 487 CB MET A 33 9.175 11.745 -1.420 1.00 0.00 C ATOM 488 CG MET A 33 8.709 11.678 0.026 1.00 0.00 C ATOM 489 SD MET A 33 8.739 13.287 0.840 1.00 0.00 S ATOM 490 CE MET A 33 7.495 14.166 -0.103 1.00 0.00 C ATOM 0 H MET A 33 8.087 9.985 -2.950 1.00 0.00 H new ATOM 0 HA MET A 33 7.278 12.617 -1.930 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.662 10.805 -1.680 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.925 12.530 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.696 11.277 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.344 10.984 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.217 15.079 0.423 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.895 14.420 -1.085 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.615 13.534 -0.222 1.00 0.00 H new ATOM 500 N THR A 34 8.761 12.083 -4.731 1.00 0.00 N ATOM 501 CA THR A 34 9.269 12.702 -5.949 1.00 0.00 C ATOM 502 C THR A 34 8.257 12.595 -7.084 1.00 0.00 C ATOM 503 O THR A 34 7.605 13.575 -7.442 1.00 0.00 O ATOM 504 CB THR A 34 10.595 12.057 -6.396 1.00 0.00 C ATOM 505 OG1 THR A 34 10.499 10.630 -6.309 1.00 0.00 O ATOM 506 CG2 THR A 34 11.751 12.546 -5.537 1.00 0.00 C ATOM 0 H THR A 34 8.563 11.086 -4.816 1.00 0.00 H new ATOM 0 HA THR A 34 9.444 13.753 -5.720 1.00 0.00 H new ATOM 0 HB THR A 34 10.784 12.346 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.556 10.355 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.676 12.077 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.839 13.629 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.567 12.283 -4.495 1.00 0.00 H new ATOM 514 N VAL A 35 8.131 11.397 -7.647 1.00 0.00 N ATOM 515 CA VAL A 35 7.196 11.161 -8.741 1.00 0.00 C ATOM 516 C VAL A 35 5.756 11.369 -8.287 1.00 0.00 C ATOM 517 O VAL A 35 4.915 11.842 -9.051 1.00 0.00 O ATOM 518 CB VAL A 35 7.344 9.737 -9.309 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.717 9.552 -9.937 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.103 8.703 -8.219 1.00 0.00 C ATOM 0 H VAL A 35 8.665 10.575 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 35 7.435 11.882 -9.523 1.00 0.00 H new ATOM 0 HB VAL A 35 6.594 9.594 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.803 8.540 -10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.847 10.270 -10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.487 9.713 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.211 7.702 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.829 8.843 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.096 8.823 -7.820 1.00 0.00 H new ATOM 530 N GLY A 36 5.477 11.013 -7.037 1.00 0.00 N ATOM 531 CA GLY A 36 4.137 11.168 -6.502 1.00 0.00 C ATOM 532 C GLY A 36 3.920 12.527 -5.867 1.00 0.00 C ATOM 533 O GLY A 36 4.873 13.272 -5.640 1.00 0.00 O ATOM 0 H GLY A 36 6.156 10.620 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.411 11.024 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.953 10.390 -5.761 1.00 0.00 H new ATOM 537 N GLN A 37 2.663 12.851 -5.582 1.00 0.00 N ATOM 538 CA GLN A 37 2.325 14.131 -4.971 1.00 0.00 C ATOM 539 C GLN A 37 1.392 13.937 -3.780 1.00 0.00 C ATOM 540 O GLN A 37 1.057 12.809 -3.419 1.00 0.00 O ATOM 541 CB GLN A 37 1.670 15.054 -6.001 1.00 0.00 C ATOM 542 CG GLN A 37 1.935 16.530 -5.750 1.00 0.00 C ATOM 543 CD GLN A 37 1.965 17.343 -7.030 1.00 0.00 C ATOM 544 OE1 GLN A 37 2.125 16.798 -8.122 1.00 0.00 O ATOM 545 NE2 GLN A 37 1.810 18.655 -6.901 1.00 0.00 N ATOM 0 H GLN A 37 1.863 12.246 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 37 3.248 14.590 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.033 14.792 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.594 14.881 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.164 16.927 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.887 16.641 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.680 19.065 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.821 19.253 -7.727 1.00 0.00 H new ATOM 554 N VAL A 38 0.977 15.044 -3.173 1.00 0.00 N ATOM 555 CA VAL A 38 0.082 14.996 -2.023 1.00 0.00 C ATOM 556 C VAL A 38 -1.250 14.352 -2.389 1.00 0.00 C ATOM 557 O VAL A 38 -2.079 14.079 -1.520 1.00 0.00 O ATOM 558 CB VAL A 38 -0.180 16.404 -1.456 1.00 0.00 C ATOM 559 CG1 VAL A 38 -0.912 16.316 -0.126 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.127 17.169 -1.305 1.00 0.00 C ATOM 0 H VAL A 38 1.246 15.985 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 38 0.577 14.392 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.814 16.947 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.088 17.320 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.866 15.809 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.307 15.755 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.923 18.162 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.787 16.631 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.608 17.263 -2.279 1.00 0.00 H new ATOM 570 N CYS A 39 -1.449 14.110 -3.680 1.00 0.00 N ATOM 571 CA CYS A 39 -2.681 13.497 -4.163 1.00 0.00 C ATOM 572 C CYS A 39 -2.381 12.252 -4.990 1.00 0.00 C ATOM 573 O CYS A 39 -3.075 11.959 -5.964 1.00 0.00 O ATOM 574 CB CYS A 39 -3.480 14.499 -4.998 1.00 0.00 C ATOM 575 SG CYS A 39 -2.741 14.876 -6.604 1.00 0.00 S ATOM 0 H CYS A 39 -0.773 14.329 -4.411 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.274 13.201 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.484 14.105 -5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.586 15.425 -4.432 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.528 13.770 -7.254 1.00 0.00 H new ATOM 581 N SER A 40 -1.342 11.522 -4.597 1.00 0.00 N ATOM 582 CA SER A 40 -0.947 10.311 -5.306 1.00 0.00 C ATOM 583 C SER A 40 -0.871 9.123 -4.351 1.00 0.00 C ATOM 584 O SER A 40 -0.532 9.276 -3.177 1.00 0.00 O ATOM 585 CB SER A 40 0.405 10.515 -5.993 1.00 0.00 C ATOM 586 OG SER A 40 1.446 10.647 -5.041 1.00 0.00 O ATOM 0 H SER A 40 -0.759 11.748 -3.791 1.00 0.00 H new ATOM 0 HA SER A 40 -1.703 10.099 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.614 9.671 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.367 11.405 -6.621 1.00 0.00 H new ATOM 0 HG SER A 40 1.201 11.328 -4.380 1.00 0.00 H new ATOM 592 N PHE A 41 -1.189 7.939 -4.863 1.00 0.00 N ATOM 593 CA PHE A 41 -1.158 6.724 -4.057 1.00 0.00 C ATOM 594 C PHE A 41 -0.513 5.576 -4.828 1.00 0.00 C ATOM 595 O PHE A 41 -0.162 5.720 -6.000 1.00 0.00 O ATOM 596 CB PHE A 41 -2.574 6.335 -3.629 1.00 0.00 C ATOM 597 CG PHE A 41 -3.371 5.679 -4.720 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.246 4.322 -4.968 1.00 0.00 C ATOM 599 CD2 PHE A 41 -4.246 6.420 -5.498 1.00 0.00 C ATOM 600 CE1 PHE A 41 -3.978 3.715 -5.971 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.981 5.819 -6.502 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.846 4.465 -6.740 1.00 0.00 C ATOM 0 H PHE A 41 -1.471 7.795 -5.833 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.559 6.922 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.514 5.658 -2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.101 7.227 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.568 3.731 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.355 7.479 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.871 2.656 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.661 6.408 -7.100 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.418 3.994 -7.526 1.00 0.00 H new ATOM 612 N LEU A 42 -0.361 4.436 -4.162 1.00 0.00 N ATOM 613 CA LEU A 42 0.242 3.262 -4.784 1.00 0.00 C ATOM 614 C LEU A 42 0.153 2.051 -3.860 1.00 0.00 C ATOM 615 O LEU A 42 0.262 2.179 -2.640 1.00 0.00 O ATOM 616 CB LEU A 42 1.703 3.542 -5.138 1.00 0.00 C ATOM 617 CG LEU A 42 2.714 3.372 -4.003 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.960 1.898 -3.723 1.00 0.00 C ATOM 619 CD2 LEU A 42 4.019 4.078 -4.341 1.00 0.00 C ATOM 0 H LEU A 42 -0.647 4.300 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.310 3.041 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.991 2.881 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.776 4.563 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 42 2.301 3.827 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.682 1.797 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.023 1.421 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.352 1.418 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.726 3.947 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.437 3.653 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.830 5.141 -4.490 1.00 0.00 H new ATOM 631 N VAL A 43 -0.042 0.877 -4.450 1.00 0.00 N ATOM 632 CA VAL A 43 -0.142 -0.358 -3.681 1.00 0.00 C ATOM 633 C VAL A 43 1.140 -1.177 -3.787 1.00 0.00 C ATOM 634 O VAL A 43 1.936 -0.986 -4.707 1.00 0.00 O ATOM 635 CB VAL A 43 -1.329 -1.219 -4.152 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.438 -2.483 -3.313 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.621 -0.419 -4.098 1.00 0.00 C ATOM 0 H VAL A 43 -0.134 0.754 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.302 -0.071 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.154 -1.514 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.282 -3.079 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.520 -3.064 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.590 -2.214 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.449 -1.043 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.804 -0.093 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.537 0.453 -4.747 1.00 0.00 H new ATOM 647 N ARG A 44 1.333 -2.089 -2.841 1.00 0.00 N ATOM 648 CA ARG A 44 2.519 -2.938 -2.827 1.00 0.00 C ATOM 649 C ARG A 44 2.330 -4.121 -1.883 1.00 0.00 C ATOM 650 O ARG A 44 1.720 -4.007 -0.819 1.00 0.00 O ATOM 651 CB ARG A 44 3.747 -2.127 -2.408 1.00 0.00 C ATOM 652 CG ARG A 44 3.798 -1.824 -0.920 1.00 0.00 C ATOM 653 CD ARG A 44 5.035 -1.018 -0.557 1.00 0.00 C ATOM 654 NE ARG A 44 5.466 -1.264 0.816 1.00 0.00 N ATOM 655 CZ ARG A 44 5.941 -2.430 1.239 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.046 -3.451 0.399 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.313 -2.577 2.504 1.00 0.00 N ATOM 0 H ARG A 44 0.683 -2.260 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 44 2.673 -3.322 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.647 -2.674 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.758 -1.188 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.904 -1.272 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.793 -2.757 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.845 -1.270 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.826 0.044 -0.686 1.00 0.00 H new ATOM 0 HE ARG A 44 5.399 -0.499 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.762 -3.342 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.411 -4.345 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.234 -1.794 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.678 -3.473 2.828 1.00 0.00 H new ATOM 671 N PRO A 45 2.865 -5.285 -2.278 1.00 0.00 N ATOM 672 CA PRO A 45 2.769 -6.512 -1.482 1.00 0.00 C ATOM 673 C PRO A 45 3.610 -6.445 -0.211 1.00 0.00 C ATOM 674 O PRO A 45 4.837 -6.374 -0.270 1.00 0.00 O ATOM 675 CB PRO A 45 3.310 -7.590 -2.424 1.00 0.00 C ATOM 676 CG PRO A 45 4.211 -6.860 -3.359 1.00 0.00 C ATOM 677 CD PRO A 45 3.606 -5.494 -3.534 1.00 0.00 C ATOM 0 HA PRO A 45 1.751 -6.697 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.851 -8.361 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.503 -8.088 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.221 -6.791 -2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.286 -7.379 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.371 -4.732 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.946 -5.455 -4.401 1.00 0.00 H new ATOM 685 N SER A 46 2.941 -6.470 0.937 1.00 0.00 N ATOM 686 CA SER A 46 3.626 -6.409 2.223 1.00 0.00 C ATOM 687 C SER A 46 4.833 -7.342 2.240 1.00 0.00 C ATOM 688 O SER A 46 4.690 -8.556 2.382 1.00 0.00 O ATOM 689 CB SER A 46 2.666 -6.777 3.355 1.00 0.00 C ATOM 690 OG SER A 46 3.245 -6.513 4.621 1.00 0.00 O ATOM 0 H SER A 46 1.925 -6.532 1.003 1.00 0.00 H new ATOM 0 HA SER A 46 3.976 -5.388 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.741 -6.211 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.404 -7.833 3.285 1.00 0.00 H new ATOM 0 HG SER A 46 2.611 -6.755 5.328 1.00 0.00 H new ATOM 757 N ASP A 52 0.159 -10.348 1.355 1.00 0.00 N ATOM 758 CA ASP A 52 -0.587 -9.201 1.857 1.00 0.00 C ATOM 759 C ASP A 52 -0.224 -7.936 1.085 1.00 0.00 C ATOM 760 O ASP A 52 0.839 -7.856 0.469 1.00 0.00 O ATOM 761 CB ASP A 52 -0.312 -9.000 3.348 1.00 0.00 C ATOM 762 CG ASP A 52 -1.181 -9.883 4.222 1.00 0.00 C ATOM 763 OD1 ASP A 52 -0.989 -11.116 4.196 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.055 -9.340 4.931 1.00 0.00 O ATOM 0 HA ASP A 52 -1.649 -9.399 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.737 -9.212 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.483 -7.955 3.608 1.00 0.00 H new ATOM 769 N TYR A 53 -1.115 -6.951 1.122 1.00 0.00 N ATOM 770 CA TYR A 53 -0.890 -5.691 0.423 1.00 0.00 C ATOM 771 C TYR A 53 -1.080 -4.505 1.363 1.00 0.00 C ATOM 772 O TYR A 53 -1.568 -4.658 2.483 1.00 0.00 O ATOM 773 CB TYR A 53 -1.841 -5.569 -0.769 1.00 0.00 C ATOM 774 CG TYR A 53 -1.685 -6.679 -1.784 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.547 -6.768 -2.576 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.677 -7.637 -1.952 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.401 -7.780 -3.505 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.539 -8.653 -2.878 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.399 -8.720 -3.652 1.00 0.00 C ATOM 780 OH TYR A 53 -1.258 -9.730 -4.576 1.00 0.00 O ATOM 0 H TYR A 53 -1.999 -7.001 1.628 1.00 0.00 H new ATOM 0 HA TYR A 53 0.138 -5.683 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.868 -5.563 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.672 -4.611 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.237 -6.034 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.571 -7.587 -1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.490 -7.835 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.319 -9.391 -2.995 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.049 -10.308 -4.552 1.00 0.00 H new ATOM 790 N SER A 54 -0.690 -3.322 0.899 1.00 0.00 N ATOM 791 CA SER A 54 -0.814 -2.109 1.698 1.00 0.00 C ATOM 792 C SER A 54 -0.781 -0.868 0.811 1.00 0.00 C ATOM 793 O SER A 54 0.101 -0.719 -0.036 1.00 0.00 O ATOM 794 CB SER A 54 0.310 -2.039 2.734 1.00 0.00 C ATOM 795 OG SER A 54 1.516 -2.573 2.216 1.00 0.00 O ATOM 0 H SER A 54 -0.286 -3.178 -0.026 1.00 0.00 H new ATOM 0 HA SER A 54 -1.774 -2.140 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.467 -1.003 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.019 -2.590 3.628 1.00 0.00 H new ATOM 0 HG SER A 54 2.218 -2.515 2.897 1.00 0.00 H new ATOM 801 N LEU A 55 -1.749 0.020 1.011 1.00 0.00 N ATOM 802 CA LEU A 55 -1.832 1.249 0.230 1.00 0.00 C ATOM 803 C LEU A 55 -0.942 2.335 0.826 1.00 0.00 C ATOM 804 O LEU A 55 -0.739 2.389 2.039 1.00 0.00 O ATOM 805 CB LEU A 55 -3.280 1.739 0.166 1.00 0.00 C ATOM 806 CG LEU A 55 -3.583 2.804 -0.888 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.975 2.155 -2.206 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.682 3.738 -0.402 1.00 0.00 C ATOM 0 H LEU A 55 -2.487 -0.088 1.707 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.483 1.033 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.925 0.880 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.551 2.137 1.144 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.680 3.393 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.187 2.929 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.156 1.529 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.863 1.541 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.885 4.490 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.588 3.164 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.361 4.230 0.516 1.00 0.00 H new ATOM 820 N TYR A 56 -0.415 3.199 -0.034 1.00 0.00 N ATOM 821 CA TYR A 56 0.454 4.284 0.407 1.00 0.00 C ATOM 822 C TYR A 56 0.040 5.607 -0.230 1.00 0.00 C ATOM 823 O TYR A 56 0.168 5.793 -1.441 1.00 0.00 O ATOM 824 CB TYR A 56 1.910 3.971 0.061 1.00 0.00 C ATOM 825 CG TYR A 56 2.516 2.882 0.917 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.012 1.587 0.886 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.591 3.146 1.756 1.00 0.00 C ATOM 828 CE1 TYR A 56 2.561 0.588 1.667 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.148 2.153 2.538 1.00 0.00 C ATOM 830 CZ TYR A 56 3.629 0.876 2.491 1.00 0.00 C ATOM 831 OH TYR A 56 4.180 -0.116 3.270 1.00 0.00 O ATOM 0 H TYR A 56 -0.574 3.169 -1.041 1.00 0.00 H new ATOM 0 HA TYR A 56 0.357 4.377 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.970 3.674 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.503 4.879 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.177 1.358 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.999 4.145 1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.156 -0.413 1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.985 2.375 3.183 1.00 0.00 H new ATOM 0 HH TYR A 56 5.134 0.065 3.404 1.00 0.00 H new ATOM 841 N PHE A 57 -0.456 6.523 0.594 1.00 0.00 N ATOM 842 CA PHE A 57 -0.890 7.830 0.112 1.00 0.00 C ATOM 843 C PHE A 57 -0.091 8.947 0.778 1.00 0.00 C ATOM 844 O PHE A 57 0.400 8.792 1.896 1.00 0.00 O ATOM 845 CB PHE A 57 -2.383 8.026 0.381 1.00 0.00 C ATOM 846 CG PHE A 57 -2.919 9.331 -0.137 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.877 9.624 -1.490 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.463 10.264 0.731 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.370 10.823 -1.969 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.957 11.465 0.257 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.910 11.745 -1.094 1.00 0.00 C ATOM 0 H PHE A 57 -0.568 6.385 1.598 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.713 7.871 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.937 7.207 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.561 7.970 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.454 8.907 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.501 10.051 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.333 11.039 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.380 12.184 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.295 12.683 -1.466 1.00 0.00 H new ATOM 861 N ARG A 58 0.035 10.072 0.081 1.00 0.00 N ATOM 862 CA ARG A 58 0.775 11.214 0.602 1.00 0.00 C ATOM 863 C ARG A 58 -0.175 12.261 1.178 1.00 0.00 C ATOM 864 O ARG A 58 -1.191 12.596 0.569 1.00 0.00 O ATOM 865 CB ARG A 58 1.632 11.840 -0.500 1.00 0.00 C ATOM 866 CG ARG A 58 2.260 13.166 -0.104 1.00 0.00 C ATOM 867 CD ARG A 58 3.494 12.962 0.761 1.00 0.00 C ATOM 868 NE ARG A 58 4.096 14.231 1.164 1.00 0.00 N ATOM 869 CZ ARG A 58 5.227 14.321 1.854 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.876 13.223 2.216 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.711 15.512 2.183 1.00 0.00 N ATOM 0 H ARG A 58 -0.366 10.216 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 58 1.425 10.859 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.422 11.141 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.016 11.990 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.531 13.724 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.530 13.768 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.224 12.391 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.227 12.371 0.213 1.00 0.00 H new ATOM 0 HE ARG A 58 3.622 15.095 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.507 12.306 1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.745 13.295 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.214 16.359 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.580 15.581 2.713 1.00 0.00 H new ATOM 885 N THR A 59 0.163 12.773 2.358 1.00 0.00 N ATOM 886 CA THR A 59 -0.660 13.779 3.017 1.00 0.00 C ATOM 887 C THR A 59 0.175 14.984 3.436 1.00 0.00 C ATOM 888 O THR A 59 1.382 14.871 3.646 1.00 0.00 O ATOM 889 CB THR A 59 -1.366 13.202 4.258 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.396 12.736 5.202 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.294 12.060 3.871 1.00 0.00 C ATOM 0 H THR A 59 1.001 12.507 2.876 1.00 0.00 H new ATOM 0 HA THR A 59 -1.412 14.095 2.294 1.00 0.00 H new ATOM 0 HB THR A 59 -1.961 13.995 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.089 11.974 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.781 11.669 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.050 12.425 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.717 11.267 3.396 1.00 0.00 H new ATOM 899 N ASN A 60 -0.476 16.136 3.557 1.00 0.00 N ATOM 900 CA ASN A 60 0.208 17.363 3.951 1.00 0.00 C ATOM 901 C ASN A 60 1.206 17.092 5.074 1.00 0.00 C ATOM 902 O ASN A 60 2.285 17.681 5.112 1.00 0.00 O ATOM 903 CB ASN A 60 -0.808 18.416 4.399 1.00 0.00 C ATOM 904 CG ASN A 60 -1.500 18.037 5.694 1.00 0.00 C ATOM 905 OD1 ASN A 60 -2.362 17.028 5.631 1.00 0.00 O flip ATOM 906 ND2 ASN A 60 -1.264 18.644 6.739 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.476 16.246 3.388 1.00 0.00 H new ATOM 0 HA ASN A 60 0.754 17.740 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.303 19.373 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.555 18.552 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.594 19.413 6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.738 18.378 7.602 1.00 0.00 H new ATOM 913 N GLU A 61 0.836 16.197 5.984 1.00 0.00 N ATOM 914 CA GLU A 61 1.698 15.849 7.107 1.00 0.00 C ATOM 915 C GLU A 61 2.775 14.855 6.679 1.00 0.00 C ATOM 916 O GLU A 61 3.939 15.217 6.518 1.00 0.00 O ATOM 917 CB GLU A 61 0.871 15.260 8.251 1.00 0.00 C ATOM 918 CG GLU A 61 0.033 16.290 8.990 1.00 0.00 C ATOM 919 CD GLU A 61 -1.216 15.692 9.607 1.00 0.00 C ATOM 920 OE1 GLU A 61 -1.948 14.978 8.892 1.00 0.00 O ATOM 921 OE2 GLU A 61 -1.461 15.939 10.807 1.00 0.00 O ATOM 0 H GLU A 61 -0.054 15.700 5.966 1.00 0.00 H new ATOM 0 HA GLU A 61 2.186 16.760 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.213 14.488 7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.541 14.773 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.636 16.749 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.252 17.084 8.300 1.00 0.00 H new ATOM 928 N ASN A 62 2.374 13.601 6.496 1.00 0.00 N ATOM 929 CA ASN A 62 3.304 12.554 6.088 1.00 0.00 C ATOM 930 C ASN A 62 2.560 11.382 5.456 1.00 0.00 C ATOM 931 O ASN A 62 1.389 11.144 5.754 1.00 0.00 O ATOM 932 CB ASN A 62 4.117 12.068 7.290 1.00 0.00 C ATOM 933 CG ASN A 62 3.242 11.731 8.482 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.423 12.542 8.913 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.414 10.529 9.020 1.00 0.00 N ATOM 0 H ASN A 62 1.412 13.285 6.624 1.00 0.00 H new ATOM 0 HA ASN A 62 3.982 12.974 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.692 11.187 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.834 12.838 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.855 10.246 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.105 9.889 8.629 1.00 0.00 H new ATOM 942 N ILE A 63 3.247 10.653 4.584 1.00 0.00 N ATOM 943 CA ILE A 63 2.652 9.505 3.911 1.00 0.00 C ATOM 944 C ILE A 63 2.045 8.532 4.917 1.00 0.00 C ATOM 945 O ILE A 63 2.666 8.203 5.928 1.00 0.00 O ATOM 946 CB ILE A 63 3.687 8.757 3.051 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.144 9.635 1.885 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.104 7.448 2.539 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.554 9.341 1.422 1.00 0.00 C ATOM 0 H ILE A 63 4.217 10.837 4.327 1.00 0.00 H new ATOM 0 HA ILE A 63 1.866 9.892 3.263 1.00 0.00 H new ATOM 0 HB ILE A 63 4.554 8.528 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.460 9.498 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.079 10.682 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.848 6.931 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.824 6.819 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.222 7.655 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.810 10.001 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.249 9.506 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.620 8.304 1.093 1.00 0.00 H new ATOM 961 N GLN A 64 0.830 8.075 4.632 1.00 0.00 N ATOM 962 CA GLN A 64 0.141 7.139 5.512 1.00 0.00 C ATOM 963 C GLN A 64 0.460 5.697 5.130 1.00 0.00 C ATOM 964 O GLN A 64 1.254 5.446 4.224 1.00 0.00 O ATOM 965 CB GLN A 64 -1.370 7.371 5.456 1.00 0.00 C ATOM 966 CG GLN A 64 -1.816 8.647 6.152 1.00 0.00 C ATOM 967 CD GLN A 64 -3.226 8.551 6.699 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.777 7.459 6.839 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.818 9.697 7.014 1.00 0.00 N ATOM 0 H GLN A 64 0.303 8.338 3.799 1.00 0.00 H new ATOM 0 HA GLN A 64 0.491 7.312 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.685 7.407 4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.877 6.521 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.128 8.871 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.759 9.479 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.324 10.579 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.767 9.695 7.388 1.00 0.00 H new ATOM 978 N ARG A 65 -0.164 4.754 5.827 1.00 0.00 N ATOM 979 CA ARG A 65 0.055 3.337 5.562 1.00 0.00 C ATOM 980 C ARG A 65 -1.178 2.517 5.932 1.00 0.00 C ATOM 981 O ARG A 65 -1.550 2.430 7.103 1.00 0.00 O ATOM 982 CB ARG A 65 1.269 2.832 6.343 1.00 0.00 C ATOM 983 CG ARG A 65 1.700 1.426 5.958 1.00 0.00 C ATOM 984 CD ARG A 65 2.489 0.759 7.074 1.00 0.00 C ATOM 985 NE ARG A 65 1.617 0.087 8.034 1.00 0.00 N ATOM 986 CZ ARG A 65 2.053 -0.462 9.163 1.00 0.00 C ATOM 987 NH1 ARG A 65 3.341 -0.418 9.471 1.00 0.00 N ATOM 988 NH2 ARG A 65 1.198 -1.055 9.986 1.00 0.00 N ATOM 0 H ARG A 65 -0.825 4.945 6.580 1.00 0.00 H new ATOM 0 HA ARG A 65 0.242 3.218 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.103 3.515 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.039 2.854 7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.821 0.826 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.308 1.466 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.182 0.035 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.089 1.508 7.591 1.00 0.00 H new ATOM 0 HE ARG A 65 0.620 0.036 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.001 0.038 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.673 -0.840 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.206 -1.090 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.533 -1.476 10.852 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.808 1.919 4.927 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.000 1.108 5.146 1.00 0.00 C ATOM 1004 C PHE A 66 -2.656 -0.379 5.134 1.00 0.00 C ATOM 1005 O PHE A 66 -1.524 -0.764 4.839 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.051 1.408 4.076 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.451 2.855 4.018 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.764 3.745 3.207 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.513 3.325 4.773 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -4.130 5.077 3.153 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.884 4.655 4.722 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.191 5.532 3.910 1.00 0.00 C ATOM 0 H PHE A 66 -1.513 1.981 3.953 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.406 1.361 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.663 1.107 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.936 0.802 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.934 3.394 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.058 2.643 5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.586 5.761 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.714 5.008 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.479 6.572 3.868 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.640 -1.210 5.458 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.445 -2.655 5.484 1.00 0.00 C ATOM 1024 C LYS A 67 -4.555 -3.368 4.719 1.00 0.00 C ATOM 1025 O LYS A 67 -5.738 -3.099 4.930 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.402 -3.158 6.929 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.754 -3.137 7.621 1.00 0.00 C ATOM 1028 CD LYS A 67 -4.607 -3.199 9.132 1.00 0.00 C ATOM 1029 CE LYS A 67 -4.233 -4.597 9.600 1.00 0.00 C ATOM 1030 NZ LYS A 67 -4.341 -4.734 11.078 1.00 0.00 N ATOM 0 H LYS A 67 -4.582 -0.908 5.707 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.494 -2.877 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.014 -4.177 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.703 -2.545 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.292 -2.230 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.353 -3.981 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.844 -2.490 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.542 -2.895 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.884 -5.327 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.214 -4.824 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.078 -5.701 11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.701 -4.055 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.319 -4.542 11.374 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.166 -4.279 3.833 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.130 -5.032 3.040 1.00 0.00 C ATOM 1046 C ILE A 68 -4.955 -6.533 3.242 1.00 0.00 C ATOM 1047 O ILE A 68 -4.051 -7.146 2.672 1.00 0.00 O ATOM 1048 CB ILE A 68 -4.999 -4.709 1.540 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.253 -3.221 1.292 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -5.965 -5.559 0.728 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.908 -2.775 -0.112 1.00 0.00 C ATOM 0 H ILE A 68 -3.191 -4.513 3.646 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.121 -4.735 3.383 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.983 -4.943 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.303 -3.003 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.669 -2.637 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.860 -5.319 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.741 -6.614 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.987 -5.354 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.113 -1.710 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.851 -2.961 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.511 -3.332 -0.829 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.825 -7.120 4.057 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.767 -8.551 4.335 1.00 0.00 C ATOM 1065 C CYS A 69 -6.711 -9.321 3.417 1.00 0.00 C ATOM 1066 O CYS A 69 -7.815 -8.875 3.105 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.124 -8.822 5.797 1.00 0.00 C ATOM 1068 SG CYS A 69 -4.985 -8.075 6.986 1.00 0.00 S ATOM 0 H CYS A 69 -6.578 -6.627 4.537 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.749 -8.892 4.148 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.130 -8.448 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.148 -9.899 5.960 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.372 -8.358 8.194 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.267 -10.506 2.971 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.056 -11.363 2.081 1.00 0.00 C ATOM 1076 C PRO A 70 -8.265 -11.970 2.783 1.00 0.00 C ATOM 1077 O PRO A 70 -8.239 -12.212 3.990 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.067 -12.459 1.675 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.079 -12.509 2.790 1.00 0.00 C ATOM 1080 CD PRO A 70 -4.961 -11.100 3.302 1.00 0.00 C ATOM 0 HA PRO A 70 -7.467 -10.807 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.569 -13.418 1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.583 -12.224 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.414 -13.184 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.115 -12.879 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.769 -11.077 4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.143 -10.565 2.821 1.00 0.00 H new ATOM 1088 N THR A 71 -9.326 -12.214 2.020 1.00 0.00 N ATOM 1089 CA THR A 71 -10.546 -12.792 2.569 1.00 0.00 C ATOM 1090 C THR A 71 -10.984 -14.014 1.769 1.00 0.00 C ATOM 1091 O THR A 71 -10.763 -14.107 0.562 1.00 0.00 O ATOM 1092 CB THR A 71 -11.695 -11.766 2.588 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.963 -11.306 1.259 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.349 -10.583 3.480 1.00 0.00 C ATOM 0 H THR A 71 -9.365 -12.020 1.019 1.00 0.00 H new ATOM 0 HA THR A 71 -10.320 -13.093 3.592 1.00 0.00 H new ATOM 0 HB THR A 71 -12.583 -12.255 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.144 -11.359 0.723 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.175 -9.872 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.174 -10.933 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.449 -10.095 3.105 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.621 -14.974 2.455 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.105 -16.207 1.828 1.00 0.00 C ATOM 1104 C PRO A 72 -13.283 -15.958 0.892 1.00 0.00 C ATOM 1105 O PRO A 72 -13.811 -16.887 0.283 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.540 -17.064 3.019 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.862 -16.084 4.093 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.919 -14.929 3.897 1.00 0.00 C ATOM 0 HA PRO A 72 -11.342 -16.674 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.406 -17.677 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.746 -17.744 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.899 -15.757 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.733 -16.530 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.378 -13.983 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.016 -15.041 4.498 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.689 -14.697 0.782 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.805 -14.326 -0.080 1.00 0.00 C ATOM 1118 C ASN A 73 -14.309 -13.627 -1.341 1.00 0.00 C ATOM 1119 O ASN A 73 -14.926 -12.676 -1.820 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.778 -13.416 0.673 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.989 -13.048 -0.162 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -17.559 -13.891 -0.854 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.388 -11.783 -0.099 1.00 0.00 N ATOM 0 H ASN A 73 -13.262 -13.915 1.279 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.325 -15.238 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.107 -13.915 1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.260 -12.507 0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.198 -11.476 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.885 -11.118 0.489 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.190 -14.105 -1.875 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.610 -13.526 -3.082 1.00 0.00 C ATOM 1132 C ASN A 74 -12.666 -12.002 -3.035 1.00 0.00 C ATOM 1133 O ASN A 74 -13.062 -11.356 -4.005 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.346 -14.036 -4.322 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.900 -15.428 -4.728 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -11.988 -15.998 -4.129 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.541 -15.980 -5.751 1.00 0.00 N ATOM 0 H ASN A 74 -12.666 -14.892 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.565 -13.832 -3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.418 -14.044 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.177 -13.348 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.283 -16.914 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.291 -15.470 -6.218 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.267 -11.436 -1.901 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.272 -9.988 -1.727 1.00 0.00 C ATOM 1146 C GLN A 75 -11.111 -9.541 -0.845 1.00 0.00 C ATOM 1147 O GLN A 75 -10.355 -10.366 -0.332 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.598 -9.531 -1.116 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.724 -9.405 -2.130 1.00 0.00 C ATOM 1150 CD GLN A 75 -15.878 -8.565 -1.619 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -15.908 -8.175 -0.451 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.836 -8.280 -2.493 1.00 0.00 N ATOM 0 H GLN A 75 -11.936 -11.957 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.155 -9.529 -2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.895 -10.239 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.451 -8.568 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.335 -8.962 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.089 -10.399 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.771 -8.624 -3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.637 -7.717 -2.206 1.00 0.00 H new ATOM 1161 N PHE A 76 -10.975 -8.230 -0.674 1.00 0.00 N ATOM 1162 CA PHE A 76 -9.904 -7.673 0.145 1.00 0.00 C ATOM 1163 C PHE A 76 -10.471 -6.786 1.250 1.00 0.00 C ATOM 1164 O PHE A 76 -11.419 -6.034 1.031 1.00 0.00 O ATOM 1165 CB PHE A 76 -8.935 -6.869 -0.723 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.056 -7.725 -1.590 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.076 -8.527 -1.028 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -8.210 -7.727 -2.967 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.266 -9.316 -1.823 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -7.403 -8.514 -3.767 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.429 -9.308 -3.195 1.00 0.00 C ATOM 0 H PHE A 76 -11.593 -7.534 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.365 -8.500 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.505 -6.189 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.307 -6.253 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.943 -8.536 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.969 -7.107 -3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.507 -9.938 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.534 -8.508 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.796 -9.922 -3.819 1.00 0.00 H new ATOM 1181 N MET A 77 -9.882 -6.882 2.438 1.00 0.00 N ATOM 1182 CA MET A 77 -10.326 -6.088 3.577 1.00 0.00 C ATOM 1183 C MET A 77 -9.335 -4.969 3.880 1.00 0.00 C ATOM 1184 O MET A 77 -8.147 -5.218 4.082 1.00 0.00 O ATOM 1185 CB MET A 77 -10.501 -6.978 4.809 1.00 0.00 C ATOM 1186 CG MET A 77 -11.890 -7.585 4.928 1.00 0.00 C ATOM 1187 SD MET A 77 -11.980 -8.871 6.190 1.00 0.00 S ATOM 1188 CE MET A 77 -11.197 -8.044 7.572 1.00 0.00 C ATOM 0 H MET A 77 -9.096 -7.502 2.636 1.00 0.00 H new ATOM 0 HA MET A 77 -11.286 -5.639 3.323 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.764 -7.781 4.775 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.292 -6.391 5.704 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.607 -6.799 5.164 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.183 -8.005 3.966 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.423 -8.581 8.493 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.118 -8.023 7.420 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.573 -7.024 7.646 1.00 0.00 H new ATOM 1198 N MET A 78 -9.832 -3.737 3.910 1.00 0.00 N ATOM 1199 CA MET A 78 -8.988 -2.580 4.189 1.00 0.00 C ATOM 1200 C MET A 78 -9.506 -1.810 5.401 1.00 0.00 C ATOM 1201 O MET A 78 -10.366 -0.940 5.274 1.00 0.00 O ATOM 1202 CB MET A 78 -8.931 -1.658 2.971 1.00 0.00 C ATOM 1203 CG MET A 78 -7.854 -0.589 3.067 1.00 0.00 C ATOM 1204 SD MET A 78 -7.494 0.180 1.476 1.00 0.00 S ATOM 1205 CE MET A 78 -7.145 1.862 1.985 1.00 0.00 C ATOM 0 H MET A 78 -10.813 -3.514 3.745 1.00 0.00 H new ATOM 0 HA MET A 78 -7.983 -2.939 4.410 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.756 -2.259 2.079 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.900 -1.175 2.845 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.171 0.178 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.942 -1.033 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.373 2.545 1.166 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.758 2.115 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.091 1.951 2.248 1.00 0.00 H new ATOM 1215 N GLY A 79 -8.975 -2.138 6.575 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.396 -1.468 7.792 1.00 0.00 C ATOM 1217 C GLY A 79 -10.537 -2.186 8.484 1.00 0.00 C ATOM 1218 O GLY A 79 -10.390 -2.657 9.612 1.00 0.00 O ATOM 0 H GLY A 79 -8.261 -2.855 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.549 -1.395 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.703 -0.449 7.555 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.679 -2.271 7.809 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.833 -2.937 8.383 1.00 0.00 C ATOM 1224 C GLY A 80 -14.004 -2.999 7.422 1.00 0.00 C ATOM 1225 O GLY A 80 -15.160 -3.034 7.844 1.00 0.00 O ATOM 0 H GLY A 80 -11.825 -1.890 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.555 -3.949 8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.138 -2.413 9.289 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.705 -3.013 6.127 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.742 -3.068 5.104 1.00 0.00 C ATOM 1231 C ARG A 81 -14.500 -4.232 4.147 1.00 0.00 C ATOM 1232 O ARG A 81 -13.493 -4.934 4.250 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.789 -1.754 4.323 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.282 -0.574 5.145 1.00 0.00 C ATOM 1235 CD ARG A 81 -16.798 -0.467 5.112 1.00 0.00 C ATOM 1236 NE ARG A 81 -17.264 0.846 5.549 1.00 0.00 N ATOM 1237 CZ ARG A 81 -18.542 1.207 5.558 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -19.478 0.357 5.157 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -18.888 2.420 5.970 1.00 0.00 N ATOM 0 H ARG A 81 -12.753 -2.987 5.762 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.700 -3.221 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.792 -1.531 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.439 -1.879 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.946 -0.682 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.843 0.347 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.153 -0.659 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.230 -1.236 5.752 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.570 1.523 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.217 -0.577 4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.459 0.637 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.172 3.077 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.870 2.696 5.976 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.429 -4.431 3.219 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.318 -5.511 2.246 1.00 0.00 C ATOM 1255 C TYR A 82 -15.561 -4.997 0.831 1.00 0.00 C ATOM 1256 O TYR A 82 -16.631 -4.469 0.525 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.313 -6.625 2.574 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.406 -6.939 4.050 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.334 -7.505 4.729 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.566 -6.670 4.766 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.415 -7.794 6.078 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.655 -6.954 6.115 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.577 -7.517 6.766 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.662 -7.803 8.110 1.00 0.00 O ATOM 0 H TYR A 82 -16.267 -3.859 3.120 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.305 -5.910 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.299 -6.339 2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.024 -7.528 2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.422 -7.723 4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.413 -6.231 4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.573 -8.234 6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.564 -6.736 6.657 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.547 -7.546 8.444 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.562 -5.156 -0.029 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.665 -4.706 -1.412 1.00 0.00 C ATOM 1276 C TYR A 83 -14.499 -5.875 -2.379 1.00 0.00 C ATOM 1277 O TYR A 83 -13.946 -6.915 -2.024 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.611 -3.637 -1.703 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.750 -2.400 -0.844 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.200 -2.351 0.431 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.432 -1.282 -1.308 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.325 -1.223 1.219 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.561 -0.150 -0.527 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.006 -0.125 0.736 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.133 1.000 1.518 1.00 0.00 O ATOM 0 H TYR A 83 -13.671 -5.593 0.207 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.657 -4.277 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.620 -4.065 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.677 -3.350 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.666 -3.209 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.869 -1.298 -2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -12.892 -1.201 2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.094 0.711 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.639 1.682 1.030 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.984 -5.695 -3.603 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.891 -6.734 -4.622 1.00 0.00 C ATOM 1297 C ASN A 84 -13.434 -7.038 -4.958 1.00 0.00 C ATOM 1298 O ASN A 84 -13.015 -8.195 -4.961 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.639 -6.306 -5.887 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.721 -7.418 -6.915 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -15.899 -8.586 -6.569 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.591 -7.059 -8.186 1.00 0.00 N ATOM 0 H ASN A 84 -15.445 -4.840 -3.913 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.350 -7.639 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.646 -5.987 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.138 -5.444 -6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.637 -7.763 -8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.445 -6.079 -8.427 1.00 0.00 H new ATOM 1309 N SER A 85 -12.667 -5.989 -5.240 1.00 0.00 N ATOM 1310 CA SER A 85 -11.257 -6.143 -5.580 1.00 0.00 C ATOM 1311 C SER A 85 -10.507 -4.828 -5.395 1.00 0.00 C ATOM 1312 O SER A 85 -11.117 -3.770 -5.233 1.00 0.00 O ATOM 1313 CB SER A 85 -11.109 -6.628 -7.024 1.00 0.00 C ATOM 1314 OG SER A 85 -11.804 -7.846 -7.226 1.00 0.00 O ATOM 0 H SER A 85 -12.998 -5.024 -5.240 1.00 0.00 H new ATOM 0 HA SER A 85 -10.826 -6.885 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.492 -5.870 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.053 -6.765 -7.259 1.00 0.00 H new ATOM 0 HG SER A 85 -11.977 -8.271 -6.360 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.180 -4.902 -5.419 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.346 -3.718 -5.254 1.00 0.00 C ATOM 1322 C ILE A 86 -8.820 -2.583 -6.155 1.00 0.00 C ATOM 1323 O ILE A 86 -9.187 -1.510 -5.678 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.869 -4.023 -5.565 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.307 -5.020 -4.550 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.052 -2.740 -5.563 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.873 -5.417 -4.823 1.00 0.00 C ATOM 0 H ILE A 86 -8.660 -5.769 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.434 -3.412 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.806 -4.469 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.372 -4.586 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.929 -5.915 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.010 -2.972 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.441 -2.060 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.118 -2.268 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.541 -6.125 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.805 -5.881 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.239 -4.531 -4.795 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.809 -2.827 -7.462 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.242 -1.817 -8.409 1.00 0.00 C ATOM 1341 C GLY A 87 -10.422 -1.012 -7.901 1.00 0.00 C ATOM 1342 O GLY A 87 -10.446 0.212 -8.025 1.00 0.00 O ATOM 0 H GLY A 87 -8.508 -3.707 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.412 -1.144 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.512 -2.297 -9.349 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.402 -1.701 -7.328 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.591 -1.043 -6.799 1.00 0.00 C ATOM 1348 C ASP A 88 -12.227 -0.093 -5.662 1.00 0.00 C ATOM 1349 O ASP A 88 -12.514 1.102 -5.723 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.600 -2.083 -6.308 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.882 -1.452 -5.801 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -14.862 -0.879 -4.692 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.905 -1.531 -6.514 1.00 0.00 O ATOM 0 H ASP A 88 -11.397 -2.715 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.042 -0.462 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.834 -2.770 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.149 -2.674 -5.511 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.594 -0.634 -4.627 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.191 0.165 -3.476 1.00 0.00 C ATOM 1360 C ILE A 89 -10.776 1.570 -3.901 1.00 0.00 C ATOM 1361 O ILE A 89 -11.170 2.558 -3.282 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.026 -0.493 -2.714 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.493 -1.788 -2.045 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.459 0.468 -1.680 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.358 -2.707 -1.649 1.00 0.00 C ATOM 0 H ILE A 89 -11.349 -1.622 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.057 0.227 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.237 -0.737 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.075 -1.540 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.159 -2.319 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.636 -0.012 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.094 1.366 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.239 0.740 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.763 -3.604 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.789 -2.985 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.703 -2.194 -0.944 1.00 0.00 H new ATOM 1377 N ILE A 90 -9.980 1.650 -4.962 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.514 2.934 -5.472 1.00 0.00 C ATOM 1379 C ILE A 90 -10.686 3.828 -5.862 1.00 0.00 C ATOM 1380 O ILE A 90 -10.851 4.923 -5.323 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.591 2.754 -6.692 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.277 2.093 -6.271 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.327 4.096 -7.358 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.325 0.581 -6.298 1.00 0.00 C ATOM 0 H ILE A 90 -9.644 0.841 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.951 3.408 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.087 2.104 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.480 2.435 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.020 2.422 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.673 3.953 -8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.271 4.531 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.847 4.768 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.360 0.181 -5.988 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.099 0.229 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.551 0.242 -7.309 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.497 3.354 -6.801 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.657 4.109 -7.262 1.00 0.00 C ATOM 1398 C ASP A 91 -13.542 4.516 -6.089 1.00 0.00 C ATOM 1399 O ASP A 91 -13.830 5.698 -5.895 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.465 3.283 -8.264 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.623 2.800 -9.429 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -12.074 3.653 -10.159 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -12.511 1.570 -9.610 1.00 0.00 O ATOM 0 H ASP A 91 -11.373 2.451 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.298 5.013 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.901 2.424 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.292 3.884 -8.642 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.972 3.530 -5.308 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.825 3.785 -4.153 1.00 0.00 C ATOM 1410 C HIS A 92 -14.264 4.920 -3.303 1.00 0.00 C ATOM 1411 O HIS A 92 -15.013 5.665 -2.671 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.966 2.520 -3.306 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.191 2.508 -2.446 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.160 2.745 -1.088 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.490 2.287 -2.758 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.386 2.668 -0.601 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.212 2.392 -1.594 1.00 0.00 N ATOM 0 H HIS A 92 -13.743 2.547 -5.454 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.809 4.080 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.986 1.652 -3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.086 2.418 -2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.885 2.069 -3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.665 2.807 0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.222 2.276 -1.510 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.941 5.046 -3.292 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.279 6.089 -2.517 1.00 0.00 C ATOM 1427 C TYR A 93 -12.311 7.422 -3.258 1.00 0.00 C ATOM 1428 O TYR A 93 -12.503 8.477 -2.653 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.832 5.692 -2.221 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.674 4.877 -0.957 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.232 5.303 0.242 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -9.968 3.681 -0.962 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.090 4.563 1.400 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -9.822 2.932 0.190 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.384 3.378 1.369 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.241 2.636 2.519 1.00 0.00 O ATOM 0 H TYR A 93 -12.306 4.439 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.817 6.204 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.441 5.120 -3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.226 6.594 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.787 6.229 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.525 3.330 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.529 4.910 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.271 2.003 0.168 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.936 1.733 2.290 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.123 7.366 -4.572 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.129 8.567 -5.397 1.00 0.00 C ATOM 1448 C ARG A 94 -13.321 9.456 -5.054 1.00 0.00 C ATOM 1449 O ARG A 94 -13.262 10.677 -5.202 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.168 8.194 -6.880 1.00 0.00 C ATOM 1451 CG ARG A 94 -10.804 7.859 -7.460 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.894 7.530 -8.942 1.00 0.00 C ATOM 1453 NE ARG A 94 -9.697 6.845 -9.424 1.00 0.00 N ATOM 1454 CZ ARG A 94 -8.518 7.439 -9.570 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -8.379 8.724 -9.271 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -7.476 6.749 -10.014 1.00 0.00 N ATOM 0 H ARG A 94 -11.965 6.501 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.213 9.121 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.830 7.338 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.599 9.022 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.128 8.702 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.377 7.012 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.768 6.903 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.039 8.449 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.771 5.856 -9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.178 9.257 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.473 9.179 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.579 5.761 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.571 7.207 -10.126 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.402 8.835 -4.596 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.609 9.568 -4.230 1.00 0.00 C ATOM 1472 C LYS A 95 -15.711 9.728 -2.717 1.00 0.00 C ATOM 1473 O LYS A 95 -16.457 10.573 -2.223 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.849 8.847 -4.763 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.836 8.645 -6.268 1.00 0.00 C ATOM 1476 CD LYS A 95 -16.163 7.337 -6.649 1.00 0.00 C ATOM 1477 CE LYS A 95 -16.507 6.927 -8.073 1.00 0.00 C ATOM 1478 NZ LYS A 95 -15.781 7.752 -9.078 1.00 0.00 N ATOM 0 H LYS A 95 -14.468 7.825 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.552 10.560 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.932 7.876 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.736 9.418 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.858 8.653 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.314 9.476 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.082 7.440 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.473 6.553 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.259 5.876 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.581 7.025 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.042 7.442 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.037 8.753 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.756 7.638 -8.945 1.00 0.00 H new ATOM 1492 N GLU A 96 -14.956 8.912 -1.988 1.00 0.00 N ATOM 1493 CA GLU A 96 -14.963 8.965 -0.531 1.00 0.00 C ATOM 1494 C GLU A 96 -13.569 9.274 0.009 1.00 0.00 C ATOM 1495 O GLU A 96 -12.633 8.499 -0.182 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.463 7.639 0.048 1.00 0.00 C ATOM 1497 CG GLU A 96 -16.961 7.437 -0.101 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.744 7.982 1.078 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.245 7.880 2.218 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.854 8.511 0.861 1.00 0.00 O ATOM 0 H GLU A 96 -14.333 8.207 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.638 9.764 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.943 6.818 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.202 7.592 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.300 7.925 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.171 6.373 -0.211 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.442 10.413 0.682 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.163 10.826 1.248 1.00 0.00 C ATOM 1509 C GLN A 97 -11.520 9.685 2.030 1.00 0.00 C ATOM 1510 O GLN A 97 -11.884 9.423 3.177 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.352 12.040 2.159 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.611 11.973 3.008 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.667 13.069 4.055 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.719 12.796 5.254 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.657 14.318 3.605 1.00 0.00 N ATOM 0 H GLN A 97 -14.208 11.066 0.849 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.501 11.097 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.486 12.130 2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.384 12.942 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.485 12.048 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.661 11.002 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.613 14.498 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.693 15.097 4.262 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.563 9.009 1.402 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.869 7.897 2.040 1.00 0.00 C ATOM 1526 C ILE A 98 -9.244 8.325 3.363 1.00 0.00 C ATOM 1527 O ILE A 98 -8.995 7.499 4.241 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.770 7.322 1.128 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -7.992 6.226 1.859 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.832 8.428 0.667 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.017 5.484 0.972 1.00 0.00 C ATOM 0 H ILE A 98 -10.251 9.212 0.452 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.615 7.125 2.227 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.241 6.882 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.447 6.672 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.698 5.513 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.060 8.006 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.397 9.177 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.365 8.894 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.501 4.722 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.558 5.009 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.288 6.185 0.566 1.00 0.00 H new ATOM 1543 N VAL A 99 -8.994 9.624 3.501 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.401 10.163 4.718 1.00 0.00 C ATOM 1545 C VAL A 99 -9.356 11.125 5.415 1.00 0.00 C ATOM 1546 O VAL A 99 -10.416 11.455 4.885 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.078 10.895 4.422 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.172 10.876 5.643 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.382 10.271 3.222 1.00 0.00 C ATOM 0 H VAL A 99 -9.193 10.322 2.784 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.200 9.316 5.374 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.303 11.934 4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.243 11.398 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.672 11.372 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.951 9.844 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.449 10.800 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.168 9.223 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.029 10.342 2.348 1.00 0.00 H new ATOM 1559 N GLU A 100 -8.972 11.571 6.608 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.795 12.496 7.378 1.00 0.00 C ATOM 1561 C GLU A 100 -10.339 13.611 6.488 1.00 0.00 C ATOM 1562 O GLU A 100 -11.385 14.192 6.772 1.00 0.00 O ATOM 1563 CB GLU A 100 -8.987 13.096 8.530 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.816 13.950 8.072 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.220 14.774 9.196 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -6.301 14.271 9.877 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.672 15.921 9.397 1.00 0.00 O ATOM 0 H GLU A 100 -8.097 11.307 7.061 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.637 11.938 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.648 13.703 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.613 12.289 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.044 13.306 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.147 14.615 7.275 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.618 13.905 5.410 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.042 14.949 4.496 1.00 0.00 C ATOM 1576 C GLY A 101 -9.195 14.998 3.240 1.00 0.00 C ATOM 1577 O GLY A 101 -8.595 16.027 2.928 1.00 0.00 O ATOM 0 H GLY A 101 -8.748 13.439 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.084 14.786 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.992 15.913 5.002 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.145 13.885 2.518 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.362 13.804 1.291 1.00 0.00 C ATOM 1583 C TYR A 102 -8.943 12.760 0.342 1.00 0.00 C ATOM 1584 O TYR A 102 -9.425 11.712 0.773 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.906 13.464 1.611 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.105 14.644 2.113 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.204 15.066 3.433 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.247 15.336 1.267 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.475 16.144 3.895 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.512 16.414 1.721 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.630 16.815 3.036 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.901 17.888 3.493 1.00 0.00 O ATOM 0 H TYR A 102 -9.638 13.026 2.761 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.401 14.777 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.883 12.674 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.429 13.067 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.863 14.542 4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.153 15.026 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.566 16.460 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.849 16.940 1.050 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.460 17.649 4.335 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.892 13.054 -0.953 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.415 12.143 -1.964 1.00 0.00 C ATOM 1604 C TYR A 103 -8.307 11.683 -2.908 1.00 0.00 C ATOM 1605 O TYR A 103 -7.183 12.185 -2.856 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.531 12.818 -2.762 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.774 13.097 -1.947 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.919 14.291 -1.251 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.803 12.166 -1.871 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.052 14.550 -0.505 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.940 12.417 -1.129 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.060 13.610 -0.447 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.191 13.863 0.295 1.00 0.00 O ATOM 0 H TYR A 103 -8.494 13.916 -1.327 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.820 11.269 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -10.157 13.756 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.796 12.184 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.132 15.029 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.712 11.230 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.148 15.483 0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.731 11.683 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.803 13.100 0.229 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.632 10.726 -3.769 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.666 10.198 -4.726 1.00 0.00 C ATOM 1625 C LEU A 104 -7.700 10.991 -6.029 1.00 0.00 C ATOM 1626 O LEU A 104 -8.760 11.178 -6.627 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.953 8.722 -5.008 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.963 7.796 -3.790 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.455 6.410 -4.178 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.576 7.717 -3.169 1.00 0.00 C ATOM 0 H LEU A 104 -9.557 10.299 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.671 10.293 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.921 8.649 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.206 8.355 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.648 8.208 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.455 5.765 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.467 6.481 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.795 5.989 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.602 7.054 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.870 7.328 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.261 8.712 -2.854 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.533 11.455 -6.464 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.427 12.225 -7.697 1.00 0.00 C ATOM 1644 C LYS A 105 -5.849 11.373 -8.823 1.00 0.00 C ATOM 1645 O LYS A 105 -6.544 11.044 -9.783 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.552 13.461 -7.477 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.250 14.573 -6.713 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.284 15.278 -7.575 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.663 16.632 -6.996 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.802 16.529 -6.043 1.00 0.00 N ATOM 0 H LYS A 105 -5.647 11.311 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.429 12.543 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.653 13.168 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.229 13.844 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.734 14.160 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.512 15.295 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.890 15.410 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.174 14.655 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.801 17.063 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.928 17.312 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.030 17.473 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.632 16.141 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.541 15.900 -5.257 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.574 11.020 -8.696 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.904 10.206 -9.703 1.00 0.00 C ATOM 1666 C GLU A 106 -2.810 9.350 -9.071 1.00 0.00 C ATOM 1667 O GLU A 106 -2.061 9.797 -8.202 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.304 11.096 -10.794 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.314 12.121 -10.268 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.434 12.696 -11.360 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.293 12.042 -12.414 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.886 13.801 -11.161 1.00 0.00 O ATOM 0 H GLU A 106 -3.985 11.285 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.646 9.545 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.805 10.467 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.111 11.615 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.859 12.930 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.686 11.657 -9.507 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.714 8.089 -9.518 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.715 7.144 -9.011 1.00 0.00 C ATOM 1681 C PRO A 107 -0.299 7.508 -9.443 1.00 0.00 C ATOM 1682 O PRO A 107 -0.099 8.431 -10.233 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.138 5.811 -9.634 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.883 6.191 -10.868 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.572 7.489 -10.553 1.00 0.00 C ATOM 0 HA PRO A 107 -1.684 7.130 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.273 5.191 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.766 5.237 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.205 6.305 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.606 5.422 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.647 8.128 -11.433 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.587 7.327 -10.189 1.00 0.00 H new ATOM 1693 N VAL A 108 0.681 6.778 -8.921 1.00 0.00 N ATOM 1694 CA VAL A 108 2.079 7.024 -9.255 1.00 0.00 C ATOM 1695 C VAL A 108 2.562 6.066 -10.339 1.00 0.00 C ATOM 1696 O VAL A 108 2.401 4.849 -10.243 1.00 0.00 O ATOM 1697 CB VAL A 108 2.985 6.881 -8.018 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.439 6.722 -8.436 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.816 8.077 -7.093 1.00 0.00 C ATOM 0 H VAL A 108 0.533 6.011 -8.265 1.00 0.00 H new ATOM 0 HA VAL A 108 2.141 8.047 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 108 2.688 5.984 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.064 6.622 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.544 5.831 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.752 7.598 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.464 7.959 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.085 8.989 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.778 8.140 -6.766 1.00 0.00 H new ATOM 1709 N PRO A 109 3.170 6.626 -11.395 1.00 0.00 N ATOM 1710 CA PRO A 109 3.690 5.839 -12.517 1.00 0.00 C ATOM 1711 C PRO A 109 4.911 5.013 -12.129 1.00 0.00 C ATOM 1712 O PRO A 109 5.682 5.402 -11.252 1.00 0.00 O ATOM 1713 CB PRO A 109 4.071 6.903 -13.550 1.00 0.00 C ATOM 1714 CG PRO A 109 4.334 8.131 -12.749 1.00 0.00 C ATOM 1715 CD PRO A 109 3.396 8.070 -11.576 1.00 0.00 C ATOM 0 HA PRO A 109 2.960 5.115 -12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.952 6.605 -14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.267 7.063 -14.268 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.372 8.165 -12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.159 9.029 -13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.835 8.523 -10.687 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.465 8.600 -11.778 1.00 0.00 H new ATOM 1723 N MET A 110 5.081 3.871 -12.788 1.00 0.00 N ATOM 1724 CA MET A 110 6.211 2.991 -12.512 1.00 0.00 C ATOM 1725 C MET A 110 7.380 3.300 -13.441 1.00 0.00 C ATOM 1726 O MET A 110 7.184 3.715 -14.583 1.00 0.00 O ATOM 1727 CB MET A 110 5.794 1.527 -12.667 1.00 0.00 C ATOM 1728 CG MET A 110 4.897 1.274 -13.868 1.00 0.00 C ATOM 1729 SD MET A 110 5.102 -0.382 -14.552 1.00 0.00 S ATOM 1730 CE MET A 110 5.579 0.003 -16.235 1.00 0.00 C ATOM 0 H MET A 110 4.451 3.534 -13.516 1.00 0.00 H new ATOM 0 HA MET A 110 6.531 3.163 -11.485 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.689 0.911 -12.756 1.00 0.00 H new ATOM 0 HB3 MET A 110 5.275 1.208 -11.763 1.00 0.00 H new ATOM 0 HG2 MET A 110 3.857 1.416 -13.576 1.00 0.00 H new ATOM 0 HG3 MET A 110 5.114 2.011 -14.641 1.00 0.00 H new ATOM 0 HE1 MET A 110 5.742 -0.922 -16.788 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.787 0.578 -16.715 1.00 0.00 H new ATOM 0 HE3 MET A 110 6.499 0.588 -16.228 1.00 0.00 H new