USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= -0.579 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0135 (180deg=-0.2) USER MOD Single : A 26 MET CE :methyl -137:sc= -3.04! (180deg=-3.83) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00846) USER MOD Single : A 29 HIS : no HD1:sc= -14.3! C(o=-14!,f=-14!) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.35 (180deg=-1.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -6.82! C(o=-6.8!,f=-8.9!) USER MOD Single : A 42 MET CE :methyl -154:sc= -2.92! (180deg=-4.31!) USER MOD Single : A 44 SER OG : rot 86:sc= 1.24 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 0.0824 (180deg=-0.0838) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.768 USER MOD Single : A 48 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.16) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 56 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 14 -10.148 -6.309 3.203 1.00 0.00 N ATOM 178 CA LEU A 14 -9.104 -6.634 4.169 1.00 0.00 C ATOM 179 C LEU A 14 -9.109 -5.643 5.329 1.00 0.00 C ATOM 180 O LEU A 14 -9.505 -4.486 5.188 1.00 0.00 O ATOM 181 CB LEU A 14 -7.734 -6.634 3.488 1.00 0.00 C ATOM 182 CG LEU A 14 -7.681 -7.242 2.086 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.503 -6.681 1.305 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.597 -8.759 2.166 1.00 0.00 C ATOM 0 HA LEU A 14 -9.306 -7.629 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.380 -5.605 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.034 -7.176 4.124 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.598 -6.976 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.482 -7.125 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.606 -5.599 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.575 -6.916 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.560 -9.175 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.697 -9.045 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.474 -9.145 2.686 1.00 0.00 H new ATOM 196 N PRO A 15 -8.656 -6.106 6.504 1.00 0.00 N ATOM 197 CA PRO A 15 -8.594 -5.276 7.711 1.00 0.00 C ATOM 198 C PRO A 15 -7.527 -4.191 7.615 1.00 0.00 C ATOM 199 O PRO A 15 -6.396 -4.454 7.207 1.00 0.00 O ATOM 200 CB PRO A 15 -8.241 -6.278 8.812 1.00 0.00 C ATOM 201 CG PRO A 15 -7.537 -7.385 8.106 1.00 0.00 C ATOM 202 CD PRO A 15 -8.168 -7.474 6.744 1.00 0.00 C ATOM 0 HA PRO A 15 -9.527 -4.741 7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.604 -5.824 9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.135 -6.638 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.469 -7.182 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.644 -8.324 8.648 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.447 -7.782 5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.981 -8.200 6.724 1.00 0.00 H new ATOM 210 N ALA A 16 -7.895 -2.971 7.993 1.00 0.00 N ATOM 211 CA ALA A 16 -6.968 -1.847 7.952 1.00 0.00 C ATOM 212 C ALA A 16 -5.545 -2.297 8.267 1.00 0.00 C ATOM 213 O ALA A 16 -4.662 -2.236 7.412 1.00 0.00 O ATOM 214 CB ALA A 16 -7.408 -0.763 8.925 1.00 0.00 C ATOM 0 H ALA A 16 -8.828 -2.736 8.331 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.977 -1.438 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.706 0.070 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.404 -0.413 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.430 -1.169 9.936 1.00 0.00 H new ATOM 220 N GLU A 17 -5.331 -2.747 9.500 1.00 0.00 N ATOM 221 CA GLU A 17 -4.014 -3.205 9.927 1.00 0.00 C ATOM 222 C GLU A 17 -3.287 -3.911 8.786 1.00 0.00 C ATOM 223 O GLU A 17 -2.189 -3.515 8.396 1.00 0.00 O ATOM 224 CB GLU A 17 -4.142 -4.147 11.126 1.00 0.00 C ATOM 225 CG GLU A 17 -2.848 -4.321 11.904 1.00 0.00 C ATOM 226 CD GLU A 17 -1.816 -5.132 11.146 1.00 0.00 C ATOM 227 OE1 GLU A 17 -1.925 -6.377 11.144 1.00 0.00 O ATOM 228 OE2 GLU A 17 -0.899 -4.524 10.556 1.00 0.00 O ATOM 0 H GLU A 17 -6.052 -2.804 10.220 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.431 -2.332 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.911 -3.765 11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.480 -5.123 10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.434 -3.340 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.063 -4.810 12.854 1.00 0.00 H new ATOM 235 N SER A 18 -3.908 -4.960 8.256 1.00 0.00 N ATOM 236 CA SER A 18 -3.320 -5.725 7.163 1.00 0.00 C ATOM 237 C SER A 18 -3.075 -4.836 5.948 1.00 0.00 C ATOM 238 O SER A 18 -2.007 -4.880 5.336 1.00 0.00 O ATOM 239 CB SER A 18 -4.232 -6.892 6.780 1.00 0.00 C ATOM 240 OG SER A 18 -4.284 -7.860 7.814 1.00 0.00 O ATOM 0 H SER A 18 -4.818 -5.299 8.566 1.00 0.00 H new ATOM 0 HA SER A 18 -2.362 -6.119 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.236 -6.521 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.869 -7.355 5.862 1.00 0.00 H new ATOM 0 HG SER A 18 -4.991 -8.510 7.618 1.00 0.00 H new ATOM 246 N VAL A 19 -4.072 -4.028 5.603 1.00 0.00 N ATOM 247 CA VAL A 19 -3.967 -3.126 4.462 1.00 0.00 C ATOM 248 C VAL A 19 -2.722 -2.253 4.565 1.00 0.00 C ATOM 249 O VAL A 19 -1.930 -2.167 3.626 1.00 0.00 O ATOM 250 CB VAL A 19 -5.207 -2.221 4.344 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.090 -1.308 3.134 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.473 -3.061 4.268 1.00 0.00 C ATOM 0 H VAL A 19 -4.963 -3.979 6.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.897 -3.750 3.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.265 -1.596 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.976 -0.676 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.204 -0.681 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.006 -1.911 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.340 -2.406 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.426 -3.712 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.562 -3.668 5.169 1.00 0.00 H new ATOM 262 N LYS A 20 -2.554 -1.605 5.713 1.00 0.00 N ATOM 263 CA LYS A 20 -1.404 -0.738 5.942 1.00 0.00 C ATOM 264 C LYS A 20 -0.149 -1.316 5.295 1.00 0.00 C ATOM 265 O LYS A 20 0.702 -0.577 4.801 1.00 0.00 O ATOM 266 CB LYS A 20 -1.175 -0.546 7.443 1.00 0.00 C ATOM 267 CG LYS A 20 0.176 0.060 7.779 1.00 0.00 C ATOM 268 CD LYS A 20 1.235 -1.012 7.977 1.00 0.00 C ATOM 269 CE LYS A 20 2.518 -0.429 8.549 1.00 0.00 C ATOM 270 NZ LYS A 20 2.345 0.016 9.960 1.00 0.00 N ATOM 0 H LYS A 20 -3.200 -1.664 6.500 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.614 0.230 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.961 0.095 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.265 -1.511 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.483 0.733 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.091 0.661 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.854 -1.782 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.447 -1.496 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.310 -1.176 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.837 0.416 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.278 0.167 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.806 0.905 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.829 -0.713 10.493 1.00 0.00 H new ATOM 284 N ILE A 21 -0.043 -2.641 5.301 1.00 0.00 N ATOM 285 CA ILE A 21 1.107 -3.317 4.713 1.00 0.00 C ATOM 286 C ILE A 21 1.113 -3.170 3.195 1.00 0.00 C ATOM 287 O ILE A 21 2.152 -2.900 2.590 1.00 0.00 O ATOM 288 CB ILE A 21 1.124 -4.814 5.072 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.439 -5.001 6.558 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.139 -5.553 4.213 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.210 -5.021 7.438 1.00 0.00 C ATOM 0 H ILE A 21 -0.739 -3.267 5.706 1.00 0.00 H new ATOM 0 HA ILE A 21 1.997 -2.843 5.126 1.00 0.00 H new ATOM 0 HB ILE A 21 0.137 -5.231 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.986 -5.934 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.097 -4.196 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.139 -6.610 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.874 -5.443 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.132 -5.136 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.509 -5.157 8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.327 -4.078 7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.440 -5.843 7.137 1.00 0.00 H new ATOM 303 N LEU A 22 -0.053 -3.347 2.584 1.00 0.00 N ATOM 304 CA LEU A 22 -0.184 -3.232 1.136 1.00 0.00 C ATOM 305 C LEU A 22 -0.142 -1.771 0.699 1.00 0.00 C ATOM 306 O LEU A 22 0.550 -1.417 -0.255 1.00 0.00 O ATOM 307 CB LEU A 22 -1.488 -3.879 0.668 1.00 0.00 C ATOM 308 CG LEU A 22 -1.667 -5.357 1.018 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.056 -5.835 0.621 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.597 -6.199 0.338 1.00 0.00 C ATOM 0 H LEU A 22 -0.922 -3.571 3.069 1.00 0.00 H new ATOM 0 HA LEU A 22 0.657 -3.753 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.321 -3.321 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.555 -3.772 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.560 -5.471 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.165 -6.889 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.807 -5.252 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.192 -5.707 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.740 -7.248 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.672 -6.080 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.388 -5.873 0.671 1.00 0.00 H new ATOM 322 N ARG A 23 -0.887 -0.927 1.406 1.00 0.00 N ATOM 323 CA ARG A 23 -0.935 0.496 1.092 1.00 0.00 C ATOM 324 C ARG A 23 0.463 1.108 1.129 1.00 0.00 C ATOM 325 O ARG A 23 0.918 1.699 0.149 1.00 0.00 O ATOM 326 CB ARG A 23 -1.849 1.227 2.077 1.00 0.00 C ATOM 327 CG ARG A 23 -3.324 1.135 1.721 1.00 0.00 C ATOM 328 CD ARG A 23 -4.180 1.949 2.679 1.00 0.00 C ATOM 329 NE ARG A 23 -3.765 1.773 4.068 1.00 0.00 N ATOM 330 CZ ARG A 23 -2.835 2.517 4.657 1.00 0.00 C ATOM 331 NH1 ARG A 23 -2.227 3.482 3.981 1.00 0.00 N ATOM 332 NH2 ARG A 23 -2.511 2.296 5.925 1.00 0.00 N ATOM 0 H ARG A 23 -1.465 -1.204 2.199 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.336 0.607 0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.698 0.815 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.559 2.277 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.477 1.492 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.641 0.092 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.118 3.004 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.224 1.654 2.572 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.214 1.039 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.473 3.655 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.513 4.052 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.976 1.554 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.797 2.868 6.376 1.00 0.00 H new ATOM 346 N ASP A 24 1.136 0.963 2.264 1.00 0.00 N ATOM 347 CA ASP A 24 2.482 1.501 2.429 1.00 0.00 C ATOM 348 C ASP A 24 3.341 1.199 1.205 1.00 0.00 C ATOM 349 O ASP A 24 4.140 2.031 0.775 1.00 0.00 O ATOM 350 CB ASP A 24 3.136 0.920 3.683 1.00 0.00 C ATOM 351 CG ASP A 24 4.247 1.803 4.219 1.00 0.00 C ATOM 352 OD1 ASP A 24 5.403 1.635 3.778 1.00 0.00 O ATOM 353 OD2 ASP A 24 3.960 2.662 5.079 1.00 0.00 O ATOM 0 H ASP A 24 0.772 0.478 3.084 1.00 0.00 H new ATOM 0 HA ASP A 24 2.404 2.583 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.378 0.785 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.538 -0.067 3.455 1.00 0.00 H new ATOM 358 N TRP A 25 3.173 0.003 0.651 1.00 0.00 N ATOM 359 CA TRP A 25 3.935 -0.409 -0.522 1.00 0.00 C ATOM 360 C TRP A 25 3.392 0.253 -1.784 1.00 0.00 C ATOM 361 O TRP A 25 4.156 0.738 -2.618 1.00 0.00 O ATOM 362 CB TRP A 25 3.895 -1.931 -0.673 1.00 0.00 C ATOM 363 CG TRP A 25 4.622 -2.427 -1.885 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.867 -2.988 -1.922 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.150 -2.405 -3.237 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.197 -3.316 -3.215 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.160 -2.969 -4.040 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.972 -1.965 -3.846 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.025 -3.103 -5.420 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.840 -2.098 -5.215 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.861 -2.664 -5.990 1.00 0.00 C ATOM 0 H TRP A 25 2.516 -0.698 0.995 1.00 0.00 H new ATOM 0 HA TRP A 25 4.968 -0.091 -0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.330 -2.389 0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.856 -2.257 -0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.499 -3.150 -1.061 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.072 -3.748 -3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.179 -1.529 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.811 -3.538 -6.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.934 -1.760 -5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.727 -2.756 -7.058 1.00 0.00 H new ATOM 382 N MET A 26 2.070 0.271 -1.916 1.00 0.00 N ATOM 383 CA MET A 26 1.426 0.876 -3.076 1.00 0.00 C ATOM 384 C MET A 26 1.923 2.302 -3.292 1.00 0.00 C ATOM 385 O MET A 26 1.977 2.786 -4.422 1.00 0.00 O ATOM 386 CB MET A 26 -0.094 0.874 -2.901 1.00 0.00 C ATOM 387 CG MET A 26 -0.829 1.662 -3.973 1.00 0.00 C ATOM 388 SD MET A 26 -2.382 2.360 -3.380 1.00 0.00 S ATOM 389 CE MET A 26 -3.568 1.350 -4.266 1.00 0.00 C ATOM 0 H MET A 26 1.424 -0.126 -1.234 1.00 0.00 H new ATOM 0 HA MET A 26 1.684 0.284 -3.954 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.451 -0.156 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.340 1.289 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.187 2.467 -4.331 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.029 1.011 -4.824 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.368 1.982 -4.652 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.070 0.848 -5.095 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.988 0.605 -3.590 1.00 0.00 H new ATOM 399 N TYR A 27 2.286 2.968 -2.201 1.00 0.00 N ATOM 400 CA TYR A 27 2.776 4.340 -2.271 1.00 0.00 C ATOM 401 C TYR A 27 4.137 4.397 -2.958 1.00 0.00 C ATOM 402 O TYR A 27 4.309 5.083 -3.966 1.00 0.00 O ATOM 403 CB TYR A 27 2.874 4.941 -0.868 1.00 0.00 C ATOM 404 CG TYR A 27 2.878 6.453 -0.856 1.00 0.00 C ATOM 405 CD1 TYR A 27 3.924 7.169 -1.426 1.00 0.00 C ATOM 406 CD2 TYR A 27 1.837 7.166 -0.274 1.00 0.00 C ATOM 407 CE1 TYR A 27 3.932 8.550 -1.417 1.00 0.00 C ATOM 408 CE2 TYR A 27 1.836 8.547 -0.262 1.00 0.00 C ATOM 409 CZ TYR A 27 2.886 9.235 -0.834 1.00 0.00 C ATOM 410 OH TYR A 27 2.890 10.611 -0.822 1.00 0.00 O ATOM 0 H TYR A 27 2.250 2.580 -1.258 1.00 0.00 H new ATOM 0 HA TYR A 27 2.067 4.923 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.036 4.583 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.785 4.580 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.744 6.636 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.014 6.631 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.753 9.091 -1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.018 9.085 0.193 1.00 0.00 H new ATOM 0 HH TYR A 27 2.081 10.937 -0.375 1.00 0.00 H new ATOM 420 N LYS A 28 5.102 3.671 -2.404 1.00 0.00 N ATOM 421 CA LYS A 28 6.449 3.636 -2.962 1.00 0.00 C ATOM 422 C LYS A 28 6.419 3.235 -4.433 1.00 0.00 C ATOM 423 O LYS A 28 7.032 3.888 -5.278 1.00 0.00 O ATOM 424 CB LYS A 28 7.324 2.659 -2.174 1.00 0.00 C ATOM 425 CG LYS A 28 7.338 2.925 -0.678 1.00 0.00 C ATOM 426 CD LYS A 28 7.901 1.743 0.093 1.00 0.00 C ATOM 427 CE LYS A 28 8.593 2.190 1.372 1.00 0.00 C ATOM 428 NZ LYS A 28 9.937 2.771 1.101 1.00 0.00 N ATOM 0 H LYS A 28 4.977 3.099 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 28 6.873 4.637 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.970 1.643 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.345 2.711 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.935 3.813 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.325 3.135 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.096 1.050 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.609 1.202 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.974 2.929 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.694 1.340 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.417 2.970 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.502 2.095 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.831 3.655 0.563 1.00 0.00 H new ATOM 442 N HIS A 29 5.700 2.157 -4.733 1.00 0.00 N ATOM 443 CA HIS A 29 5.588 1.671 -6.104 1.00 0.00 C ATOM 444 C HIS A 29 4.401 2.315 -6.814 1.00 0.00 C ATOM 445 O HIS A 29 4.099 1.986 -7.961 1.00 0.00 O ATOM 446 CB HIS A 29 5.439 0.149 -6.116 1.00 0.00 C ATOM 447 CG HIS A 29 6.463 -0.560 -5.283 1.00 0.00 C ATOM 448 ND1 HIS A 29 7.396 -1.425 -5.813 1.00 0.00 N ATOM 449 CD2 HIS A 29 6.698 -0.525 -3.951 1.00 0.00 C ATOM 450 CE1 HIS A 29 8.160 -1.894 -4.842 1.00 0.00 C ATOM 451 NE2 HIS A 29 7.757 -1.363 -3.702 1.00 0.00 N ATOM 0 H HIS A 29 5.187 1.604 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 29 6.499 1.945 -6.636 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.444 -0.113 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.509 -0.207 -7.144 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.154 0.054 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.975 -2.593 -4.961 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.166 -1.546 -2.786 1.00 0.00 H new ATOM 460 N ARG A 30 3.732 3.233 -6.124 1.00 0.00 N ATOM 461 CA ARG A 30 2.577 3.922 -6.688 1.00 0.00 C ATOM 462 C ARG A 30 2.819 4.280 -8.151 1.00 0.00 C ATOM 463 O ARG A 30 1.894 4.274 -8.964 1.00 0.00 O ATOM 464 CB ARG A 30 2.270 5.188 -5.886 1.00 0.00 C ATOM 465 CG ARG A 30 3.270 6.310 -6.113 1.00 0.00 C ATOM 466 CD ARG A 30 3.108 7.417 -5.083 1.00 0.00 C ATOM 467 NE ARG A 30 4.086 8.485 -5.270 1.00 0.00 N ATOM 468 CZ ARG A 30 3.932 9.715 -4.791 1.00 0.00 C ATOM 469 NH1 ARG A 30 2.845 10.029 -4.100 1.00 0.00 N ATOM 470 NH2 ARG A 30 4.867 10.633 -5.003 1.00 0.00 N ATOM 0 H ARG A 30 3.970 3.517 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 30 1.721 3.249 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.273 5.542 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.250 4.940 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.283 5.911 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.137 6.720 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.102 7.831 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.214 6.999 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 30 4.934 8.276 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.125 9.326 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.729 10.974 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.705 10.395 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.748 11.577 -4.635 1.00 0.00 H new ATOM 484 N PHE A 31 4.069 4.590 -8.480 1.00 0.00 N ATOM 485 CA PHE A 31 4.432 4.952 -9.845 1.00 0.00 C ATOM 486 C PHE A 31 3.670 4.100 -10.856 1.00 0.00 C ATOM 487 O PHE A 31 3.098 4.617 -11.815 1.00 0.00 O ATOM 488 CB PHE A 31 5.939 4.787 -10.055 1.00 0.00 C ATOM 489 CG PHE A 31 6.765 5.762 -9.266 1.00 0.00 C ATOM 490 CD1 PHE A 31 6.448 7.110 -9.255 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.860 5.329 -8.534 1.00 0.00 C ATOM 492 CE1 PHE A 31 7.205 8.010 -8.529 1.00 0.00 C ATOM 493 CE2 PHE A 31 8.621 6.224 -7.806 1.00 0.00 C ATOM 494 CZ PHE A 31 8.294 7.566 -7.805 1.00 0.00 C ATOM 0 H PHE A 31 4.847 4.598 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 31 4.162 5.996 -10.001 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.227 3.773 -9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.165 4.906 -11.115 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.598 7.462 -9.821 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.121 4.281 -8.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.945 9.058 -8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.471 5.874 -7.238 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.889 8.267 -7.239 1.00 0.00 H new ATOM 504 N LYS A 32 3.667 2.790 -10.633 1.00 0.00 N ATOM 505 CA LYS A 32 2.976 1.864 -11.522 1.00 0.00 C ATOM 506 C LYS A 32 1.773 1.237 -10.824 1.00 0.00 C ATOM 507 O LYS A 32 0.881 0.692 -11.475 1.00 0.00 O ATOM 508 CB LYS A 32 3.933 0.767 -11.994 1.00 0.00 C ATOM 509 CG LYS A 32 4.254 -0.263 -10.925 1.00 0.00 C ATOM 510 CD LYS A 32 5.488 0.126 -10.129 1.00 0.00 C ATOM 511 CE LYS A 32 6.756 -0.428 -10.760 1.00 0.00 C ATOM 512 NZ LYS A 32 6.682 -1.903 -10.952 1.00 0.00 N ATOM 0 H LYS A 32 4.136 2.346 -9.844 1.00 0.00 H new ATOM 0 HA LYS A 32 2.622 2.425 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.496 0.261 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.861 1.227 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.403 -0.367 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.412 -1.235 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.555 1.212 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.396 -0.246 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.924 0.055 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.611 -0.187 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.637 -2.310 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.077 -2.319 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.280 -2.111 -11.888 1.00 0.00 H new ATOM 526 N ALA A 33 1.754 1.320 -9.498 1.00 0.00 N ATOM 527 CA ALA A 33 0.658 0.764 -8.714 1.00 0.00 C ATOM 528 C ALA A 33 0.378 -0.682 -9.110 1.00 0.00 C ATOM 529 O ALA A 33 -0.763 -1.048 -9.393 1.00 0.00 O ATOM 530 CB ALA A 33 -0.594 1.611 -8.882 1.00 0.00 C ATOM 0 H ALA A 33 2.485 1.767 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 33 0.953 0.775 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.404 1.184 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.394 2.627 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.882 1.630 -9.933 1.00 0.00 H new ATOM 536 N TYR A 34 1.425 -1.499 -9.129 1.00 0.00 N ATOM 537 CA TYR A 34 1.292 -2.904 -9.493 1.00 0.00 C ATOM 538 C TYR A 34 2.503 -3.705 -9.026 1.00 0.00 C ATOM 539 O TYR A 34 3.588 -3.635 -9.605 1.00 0.00 O ATOM 540 CB TYR A 34 1.126 -3.046 -11.007 1.00 0.00 C ATOM 541 CG TYR A 34 -0.187 -2.505 -11.526 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.398 -3.028 -11.088 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.218 -1.472 -12.454 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.600 -2.537 -11.559 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.415 -0.974 -12.930 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.604 -1.510 -12.480 1.00 0.00 C ATOM 547 OH TYR A 34 -3.799 -1.017 -12.952 1.00 0.00 O ATOM 0 H TYR A 34 2.376 -1.212 -8.896 1.00 0.00 H new ATOM 0 HA TYR A 34 0.405 -3.299 -8.998 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.945 -2.526 -11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.207 -4.099 -11.276 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.399 -3.832 -10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.711 -1.051 -12.810 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.532 -2.955 -11.208 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.420 -0.169 -13.650 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.625 -0.296 -13.593 1.00 0.00 H new ATOM 557 N PRO A 35 2.316 -4.487 -7.952 1.00 0.00 N ATOM 558 CA PRO A 35 3.380 -5.319 -7.383 1.00 0.00 C ATOM 559 C PRO A 35 3.752 -6.487 -8.290 1.00 0.00 C ATOM 560 O PRO A 35 3.083 -6.744 -9.291 1.00 0.00 O ATOM 561 CB PRO A 35 2.769 -5.830 -6.075 1.00 0.00 C ATOM 562 CG PRO A 35 1.298 -5.793 -6.305 1.00 0.00 C ATOM 563 CD PRO A 35 1.050 -4.620 -7.212 1.00 0.00 C ATOM 0 HA PRO A 35 4.306 -4.760 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.109 -6.840 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.054 -5.200 -5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.951 -6.720 -6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.759 -5.680 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.210 -4.801 -7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.818 -3.717 -6.647 1.00 0.00 H new ATOM 571 N SER A 36 4.821 -7.190 -7.933 1.00 0.00 N ATOM 572 CA SER A 36 5.283 -8.329 -8.717 1.00 0.00 C ATOM 573 C SER A 36 5.023 -9.639 -7.979 1.00 0.00 C ATOM 574 O SER A 36 4.993 -9.674 -6.749 1.00 0.00 O ATOM 575 CB SER A 36 6.776 -8.192 -9.024 1.00 0.00 C ATOM 576 OG SER A 36 7.012 -7.144 -9.949 1.00 0.00 O ATOM 0 H SER A 36 5.384 -6.991 -7.106 1.00 0.00 H new ATOM 0 HA SER A 36 4.726 -8.343 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.324 -7.998 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.155 -9.131 -9.428 1.00 0.00 H new ATOM 0 HG SER A 36 7.973 -7.076 -10.128 1.00 0.00 H new ATOM 582 N GLU A 37 4.837 -10.713 -8.739 1.00 0.00 N ATOM 583 CA GLU A 37 4.578 -12.025 -8.157 1.00 0.00 C ATOM 584 C GLU A 37 5.374 -12.215 -6.870 1.00 0.00 C ATOM 585 O GLU A 37 4.942 -12.922 -5.960 1.00 0.00 O ATOM 586 CB GLU A 37 4.931 -13.129 -9.156 1.00 0.00 C ATOM 587 CG GLU A 37 4.020 -13.164 -10.371 1.00 0.00 C ATOM 588 CD GLU A 37 4.429 -12.166 -11.437 1.00 0.00 C ATOM 589 OE1 GLU A 37 5.427 -12.427 -12.141 1.00 0.00 O ATOM 590 OE2 GLU A 37 3.752 -11.125 -11.567 1.00 0.00 O ATOM 0 H GLU A 37 4.861 -10.701 -9.759 1.00 0.00 H new ATOM 0 HA GLU A 37 3.516 -12.086 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.960 -12.992 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.885 -14.093 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.027 -14.167 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.996 -12.957 -10.059 1.00 0.00 H new ATOM 597 N GLU A 38 6.540 -11.580 -6.802 1.00 0.00 N ATOM 598 CA GLU A 38 7.397 -11.681 -5.627 1.00 0.00 C ATOM 599 C GLU A 38 6.851 -10.834 -4.481 1.00 0.00 C ATOM 600 O GLU A 38 6.740 -11.301 -3.348 1.00 0.00 O ATOM 601 CB GLU A 38 8.822 -11.239 -5.968 1.00 0.00 C ATOM 602 CG GLU A 38 9.679 -12.348 -6.554 1.00 0.00 C ATOM 603 CD GLU A 38 9.554 -13.650 -5.786 1.00 0.00 C ATOM 604 OE1 GLU A 38 10.291 -13.827 -4.793 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.718 -14.491 -6.178 1.00 0.00 O ATOM 0 H GLU A 38 6.912 -10.991 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 38 7.414 -12.724 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.777 -10.413 -6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.301 -10.859 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.392 -12.514 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.722 -12.032 -6.559 1.00 0.00 H new ATOM 612 N GLU A 39 6.512 -9.585 -4.785 1.00 0.00 N ATOM 613 CA GLU A 39 5.979 -8.672 -3.780 1.00 0.00 C ATOM 614 C GLU A 39 4.723 -9.248 -3.134 1.00 0.00 C ATOM 615 O GLU A 39 4.681 -9.476 -1.925 1.00 0.00 O ATOM 616 CB GLU A 39 5.666 -7.313 -4.409 1.00 0.00 C ATOM 617 CG GLU A 39 6.896 -6.576 -4.912 1.00 0.00 C ATOM 618 CD GLU A 39 8.008 -6.526 -3.882 1.00 0.00 C ATOM 619 OE1 GLU A 39 7.696 -6.408 -2.679 1.00 0.00 O ATOM 620 OE2 GLU A 39 9.189 -6.604 -4.279 1.00 0.00 O ATOM 0 H GLU A 39 6.597 -9.182 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 39 6.736 -8.540 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.975 -7.457 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.156 -6.691 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.264 -7.064 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.617 -5.560 -5.190 1.00 0.00 H new ATOM 627 N LYS A 40 3.699 -9.480 -3.949 1.00 0.00 N ATOM 628 CA LYS A 40 2.441 -10.030 -3.460 1.00 0.00 C ATOM 629 C LYS A 40 2.690 -11.178 -2.487 1.00 0.00 C ATOM 630 O LYS A 40 2.242 -11.140 -1.341 1.00 0.00 O ATOM 631 CB LYS A 40 1.583 -10.517 -4.630 1.00 0.00 C ATOM 632 CG LYS A 40 1.854 -9.779 -5.930 1.00 0.00 C ATOM 633 CD LYS A 40 0.694 -9.919 -6.902 1.00 0.00 C ATOM 634 CE LYS A 40 1.065 -9.413 -8.288 1.00 0.00 C ATOM 635 NZ LYS A 40 0.040 -9.780 -9.305 1.00 0.00 N ATOM 0 H LYS A 40 3.716 -9.295 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 40 1.909 -9.238 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.761 -11.582 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.531 -10.404 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.029 -8.724 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.763 -10.169 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.394 -10.965 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.165 -9.362 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.178 -8.329 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.030 -9.827 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.329 -9.417 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.050 -10.815 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.876 -9.364 -9.041 1.00 0.00 H new ATOM 649 N GLN A 41 3.408 -12.196 -2.951 1.00 0.00 N ATOM 650 CA GLN A 41 3.717 -13.353 -2.120 1.00 0.00 C ATOM 651 C GLN A 41 4.369 -12.925 -0.810 1.00 0.00 C ATOM 652 O GLN A 41 4.107 -13.504 0.244 1.00 0.00 O ATOM 653 CB GLN A 41 4.638 -14.316 -2.872 1.00 0.00 C ATOM 654 CG GLN A 41 4.520 -15.758 -2.407 1.00 0.00 C ATOM 655 CD GLN A 41 3.083 -16.180 -2.174 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.431 -16.726 -3.065 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.580 -15.930 -0.971 1.00 0.00 N ATOM 0 H GLN A 41 3.786 -12.243 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 41 2.782 -13.862 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.410 -14.267 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.670 -13.987 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.971 -16.414 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.086 -15.886 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.155 -15.476 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.618 -16.192 -0.756 1.00 0.00 H new ATOM 666 N MET A 42 5.221 -11.907 -0.884 1.00 0.00 N ATOM 667 CA MET A 42 5.910 -11.400 0.297 1.00 0.00 C ATOM 668 C MET A 42 4.926 -10.749 1.264 1.00 0.00 C ATOM 669 O MET A 42 4.887 -11.088 2.448 1.00 0.00 O ATOM 670 CB MET A 42 6.987 -10.392 -0.108 1.00 0.00 C ATOM 671 CG MET A 42 7.486 -9.539 1.047 1.00 0.00 C ATOM 672 SD MET A 42 6.537 -8.019 1.248 1.00 0.00 S ATOM 673 CE MET A 42 6.932 -7.169 -0.278 1.00 0.00 C ATOM 0 H MET A 42 5.450 -11.417 -1.749 1.00 0.00 H new ATOM 0 HA MET A 42 6.382 -12.243 0.801 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.830 -10.929 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.589 -9.740 -0.885 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.437 -10.118 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.534 -9.289 0.883 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.832 -6.093 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.956 -7.402 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.249 -7.494 -1.063 1.00 0.00 H new ATOM 683 N LEU A 43 4.133 -9.814 0.753 1.00 0.00 N ATOM 684 CA LEU A 43 3.148 -9.115 1.572 1.00 0.00 C ATOM 685 C LEU A 43 2.149 -10.095 2.177 1.00 0.00 C ATOM 686 O LEU A 43 1.796 -9.991 3.352 1.00 0.00 O ATOM 687 CB LEU A 43 2.410 -8.069 0.734 1.00 0.00 C ATOM 688 CG LEU A 43 3.288 -7.145 -0.111 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.543 -6.696 -1.359 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.737 -5.942 0.705 1.00 0.00 C ATOM 0 H LEU A 43 4.152 -9.522 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 43 3.676 -8.615 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.718 -8.587 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.809 -7.454 1.404 1.00 0.00 H new ATOM 0 HG LEU A 43 4.174 -7.700 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.183 -6.039 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.272 -7.568 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.640 -6.159 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.361 -5.296 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.863 -5.386 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.309 -6.281 1.568 1.00 0.00 H new ATOM 702 N SER A 44 1.699 -11.049 1.368 1.00 0.00 N ATOM 703 CA SER A 44 0.739 -12.048 1.824 1.00 0.00 C ATOM 704 C SER A 44 1.181 -12.661 3.149 1.00 0.00 C ATOM 705 O SER A 44 0.355 -13.115 3.940 1.00 0.00 O ATOM 706 CB SER A 44 0.575 -13.145 0.771 1.00 0.00 C ATOM 707 OG SER A 44 0.249 -14.386 1.374 1.00 0.00 O ATOM 0 H SER A 44 1.984 -11.151 0.394 1.00 0.00 H new ATOM 0 HA SER A 44 -0.220 -11.553 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.207 -12.863 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.498 -13.246 0.200 1.00 0.00 H new ATOM 0 HG SER A 44 -0.721 -14.442 1.504 1.00 0.00 H new ATOM 713 N GLU A 45 2.489 -12.669 3.384 1.00 0.00 N ATOM 714 CA GLU A 45 3.041 -13.227 4.613 1.00 0.00 C ATOM 715 C GLU A 45 2.740 -12.321 5.804 1.00 0.00 C ATOM 716 O GLU A 45 2.496 -12.796 6.913 1.00 0.00 O ATOM 717 CB GLU A 45 4.552 -13.423 4.476 1.00 0.00 C ATOM 718 CG GLU A 45 4.937 -14.530 3.509 1.00 0.00 C ATOM 719 CD GLU A 45 4.949 -15.898 4.164 1.00 0.00 C ATOM 720 OE1 GLU A 45 4.189 -16.099 5.134 1.00 0.00 O ATOM 721 OE2 GLU A 45 5.719 -16.768 3.705 1.00 0.00 O ATOM 0 H GLU A 45 3.186 -12.296 2.740 1.00 0.00 H new ATOM 0 HA GLU A 45 2.571 -14.195 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.002 -12.488 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.971 -13.647 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.237 -14.537 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.924 -14.320 3.096 1.00 0.00 H new ATOM 728 N LYS A 46 2.761 -11.014 5.566 1.00 0.00 N ATOM 729 CA LYS A 46 2.490 -10.041 6.617 1.00 0.00 C ATOM 730 C LYS A 46 0.989 -9.831 6.791 1.00 0.00 C ATOM 731 O LYS A 46 0.504 -9.635 7.906 1.00 0.00 O ATOM 732 CB LYS A 46 3.168 -8.707 6.292 1.00 0.00 C ATOM 733 CG LYS A 46 4.668 -8.714 6.529 1.00 0.00 C ATOM 734 CD LYS A 46 5.417 -9.301 5.345 1.00 0.00 C ATOM 735 CE LYS A 46 6.822 -8.729 5.234 1.00 0.00 C ATOM 736 NZ LYS A 46 6.810 -7.319 4.755 1.00 0.00 N ATOM 0 H LYS A 46 2.963 -10.604 4.654 1.00 0.00 H new ATOM 0 HA LYS A 46 2.895 -10.430 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.974 -8.455 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.716 -7.922 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.013 -7.696 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.893 -9.292 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.472 -10.385 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.866 -9.096 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.312 -8.778 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.410 -9.340 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.556 -6.781 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.981 -7.299 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.885 -6.891 4.960 1.00 0.00 H new ATOM 750 N THR A 47 0.258 -9.875 5.682 1.00 0.00 N ATOM 751 CA THR A 47 -1.188 -9.690 5.712 1.00 0.00 C ATOM 752 C THR A 47 -1.911 -11.027 5.827 1.00 0.00 C ATOM 753 O THR A 47 -3.095 -11.077 6.156 1.00 0.00 O ATOM 754 CB THR A 47 -1.687 -8.955 4.454 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.407 -9.737 3.287 1.00 0.00 O ATOM 756 CG2 THR A 47 -1.027 -7.591 4.326 1.00 0.00 C ATOM 0 H THR A 47 0.643 -10.037 4.752 1.00 0.00 H new ATOM 0 HA THR A 47 -1.411 -9.083 6.590 1.00 0.00 H new ATOM 0 HB THR A 47 -2.764 -8.812 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.111 -9.148 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.395 -7.091 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.265 -6.988 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.054 -7.715 4.254 1.00 0.00 H new ATOM 764 N ASN A 48 -1.190 -12.110 5.554 1.00 0.00 N ATOM 765 CA ASN A 48 -1.764 -13.448 5.626 1.00 0.00 C ATOM 766 C ASN A 48 -2.931 -13.593 4.655 1.00 0.00 C ATOM 767 O ASN A 48 -3.888 -14.322 4.921 1.00 0.00 O ATOM 768 CB ASN A 48 -2.231 -13.749 7.052 1.00 0.00 C ATOM 769 CG ASN A 48 -1.218 -13.320 8.095 1.00 0.00 C ATOM 770 OD1 ASN A 48 -1.325 -12.238 8.673 1.00 0.00 O ATOM 771 ND2 ASN A 48 -0.226 -14.168 8.341 1.00 0.00 N ATOM 0 H ASN A 48 -0.207 -12.087 5.281 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.991 -14.163 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.177 -13.239 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.420 -14.818 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.486 -13.933 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.176 -15.054 7.838 1.00 0.00 H new ATOM 778 N LEU A 49 -2.846 -12.895 3.528 1.00 0.00 N ATOM 779 CA LEU A 49 -3.895 -12.946 2.515 1.00 0.00 C ATOM 780 C LEU A 49 -3.513 -13.894 1.383 1.00 0.00 C ATOM 781 O LEU A 49 -2.477 -14.557 1.438 1.00 0.00 O ATOM 782 CB LEU A 49 -4.160 -11.547 1.957 1.00 0.00 C ATOM 783 CG LEU A 49 -4.316 -10.430 2.990 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.225 -9.068 2.321 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.636 -10.574 3.734 1.00 0.00 C ATOM 0 H LEU A 49 -2.062 -12.287 3.292 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.804 -13.321 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.341 -11.284 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.066 -11.585 1.352 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.503 -10.512 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.338 -8.286 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.255 -8.966 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.016 -8.974 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.731 -9.771 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.462 -10.518 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.662 -11.536 4.246 1.00 0.00 H new ATOM 797 N SER A 50 -4.356 -13.951 0.356 1.00 0.00 N ATOM 798 CA SER A 50 -4.107 -14.819 -0.789 1.00 0.00 C ATOM 799 C SER A 50 -3.701 -14.002 -2.012 1.00 0.00 C ATOM 800 O SER A 50 -4.297 -12.965 -2.306 1.00 0.00 O ATOM 801 CB SER A 50 -5.353 -15.649 -1.106 1.00 0.00 C ATOM 802 OG SER A 50 -5.425 -16.797 -0.279 1.00 0.00 O ATOM 0 H SER A 50 -5.216 -13.407 0.294 1.00 0.00 H new ATOM 0 HA SER A 50 -3.287 -15.490 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.245 -15.039 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.335 -15.952 -2.153 1.00 0.00 H new ATOM 0 HG SER A 50 -6.231 -17.309 -0.500 1.00 0.00 H new ATOM 808 N LEU A 51 -2.683 -14.477 -2.721 1.00 0.00 N ATOM 809 CA LEU A 51 -2.195 -13.791 -3.913 1.00 0.00 C ATOM 810 C LEU A 51 -3.352 -13.204 -4.714 1.00 0.00 C ATOM 811 O LEU A 51 -3.232 -12.127 -5.300 1.00 0.00 O ATOM 812 CB LEU A 51 -1.392 -14.756 -4.787 1.00 0.00 C ATOM 813 CG LEU A 51 -0.088 -15.280 -4.185 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.660 -16.137 -5.194 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.784 -14.124 -3.714 1.00 0.00 C ATOM 0 H LEU A 51 -2.179 -15.334 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.547 -12.975 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.026 -15.609 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.160 -14.256 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.332 -15.901 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.585 -16.501 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.039 -16.985 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.893 -15.541 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.708 -14.515 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.019 -13.478 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.250 -13.550 -2.956 1.00 0.00 H new ATOM 827 N LEU A 52 -4.473 -13.917 -4.735 1.00 0.00 N ATOM 828 CA LEU A 52 -5.654 -13.465 -5.463 1.00 0.00 C ATOM 829 C LEU A 52 -6.233 -12.203 -4.832 1.00 0.00 C ATOM 830 O LEU A 52 -6.514 -11.226 -5.525 1.00 0.00 O ATOM 831 CB LEU A 52 -6.713 -14.568 -5.490 1.00 0.00 C ATOM 832 CG LEU A 52 -8.130 -14.130 -5.863 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.203 -13.756 -7.335 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.131 -15.229 -5.540 1.00 0.00 C ATOM 0 H LEU A 52 -4.589 -14.810 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.354 -13.233 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.393 -15.334 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.746 -15.036 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.384 -13.250 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.219 -13.447 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.515 -12.935 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.928 -14.618 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.134 -14.899 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.879 -16.128 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.098 -15.449 -4.473 1.00 0.00 H new ATOM 846 N GLN A 53 -6.407 -12.233 -3.515 1.00 0.00 N ATOM 847 CA GLN A 53 -6.951 -11.090 -2.791 1.00 0.00 C ATOM 848 C GLN A 53 -6.009 -9.894 -2.875 1.00 0.00 C ATOM 849 O GLN A 53 -6.452 -8.748 -2.969 1.00 0.00 O ATOM 850 CB GLN A 53 -7.198 -11.458 -1.327 1.00 0.00 C ATOM 851 CG GLN A 53 -8.449 -12.294 -1.112 1.00 0.00 C ATOM 852 CD GLN A 53 -8.373 -13.146 0.139 1.00 0.00 C ATOM 853 OE1 GLN A 53 -8.049 -14.333 0.078 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.673 -12.544 1.285 1.00 0.00 N ATOM 0 H GLN A 53 -6.179 -13.035 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.899 -10.816 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.335 -12.006 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.277 -10.543 -0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.315 -11.635 -1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.604 -12.939 -1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.936 -11.559 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.640 -13.067 2.160 1.00 0.00 H new ATOM 863 N ILE A 54 -4.709 -10.166 -2.841 1.00 0.00 N ATOM 864 CA ILE A 54 -3.706 -9.112 -2.915 1.00 0.00 C ATOM 865 C ILE A 54 -3.899 -8.255 -4.161 1.00 0.00 C ATOM 866 O ILE A 54 -4.255 -7.080 -4.070 1.00 0.00 O ATOM 867 CB ILE A 54 -2.279 -9.692 -2.920 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.023 -10.487 -1.638 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.255 -8.577 -3.071 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.189 -9.669 -0.376 1.00 0.00 C ATOM 0 H ILE A 54 -4.326 -11.108 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.834 -8.492 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.180 -10.368 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.706 -11.336 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.012 -10.893 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.251 -9.002 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.427 -8.049 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.352 -7.879 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.992 -10.297 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.487 -8.835 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.208 -9.285 -0.323 1.00 0.00 H new ATOM 882 N SER A 55 -3.663 -8.852 -5.325 1.00 0.00 N ATOM 883 CA SER A 55 -3.809 -8.143 -6.591 1.00 0.00 C ATOM 884 C SER A 55 -5.203 -7.535 -6.716 1.00 0.00 C ATOM 885 O SER A 55 -5.356 -6.386 -7.125 1.00 0.00 O ATOM 886 CB SER A 55 -3.546 -9.090 -7.764 1.00 0.00 C ATOM 887 OG SER A 55 -3.303 -8.368 -8.958 1.00 0.00 O ATOM 0 H SER A 55 -3.370 -9.825 -5.418 1.00 0.00 H new ATOM 0 HA SER A 55 -3.076 -7.336 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.689 -9.724 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.403 -9.749 -7.902 1.00 0.00 H new ATOM 0 HG SER A 55 -3.136 -8.996 -9.692 1.00 0.00 H new ATOM 893 N ASN A 56 -6.216 -8.318 -6.360 1.00 0.00 N ATOM 894 CA ASN A 56 -7.599 -7.859 -6.433 1.00 0.00 C ATOM 895 C ASN A 56 -7.773 -6.539 -5.687 1.00 0.00 C ATOM 896 O ASN A 56 -8.312 -5.575 -6.230 1.00 0.00 O ATOM 897 CB ASN A 56 -8.540 -8.915 -5.850 1.00 0.00 C ATOM 898 CG ASN A 56 -8.994 -9.921 -6.890 1.00 0.00 C ATOM 899 OD1 ASN A 56 -8.679 -9.793 -8.073 1.00 0.00 O ATOM 900 ND2 ASN A 56 -9.738 -10.930 -6.451 1.00 0.00 N ATOM 0 H ASN A 56 -6.106 -9.273 -6.018 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.849 -7.699 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.036 -9.438 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.412 -8.423 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.072 -11.639 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.975 -10.996 -5.461 1.00 0.00 H new ATOM 907 N TRP A 57 -7.313 -6.505 -4.442 1.00 0.00 N ATOM 908 CA TRP A 57 -7.418 -5.303 -3.621 1.00 0.00 C ATOM 909 C TRP A 57 -6.780 -4.108 -4.322 1.00 0.00 C ATOM 910 O TRP A 57 -7.270 -2.983 -4.222 1.00 0.00 O ATOM 911 CB TRP A 57 -6.752 -5.528 -2.263 1.00 0.00 C ATOM 912 CG TRP A 57 -6.536 -4.263 -1.490 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.427 -3.651 -0.654 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.355 -3.453 -1.483 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.870 -2.510 -0.128 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.600 -2.367 -0.620 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.115 -3.541 -2.120 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.649 -1.378 -0.381 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.173 -2.559 -1.882 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.443 -1.489 -1.018 1.00 0.00 C ATOM 0 H TRP A 57 -6.864 -7.295 -3.978 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.476 -5.089 -3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.368 -6.206 -1.672 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.792 -6.021 -2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.422 -4.011 -0.438 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.328 -1.873 0.523 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.897 -4.362 -2.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.856 -0.552 0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.211 -2.617 -2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.685 -0.738 -0.852 1.00 0.00 H new ATOM 931 N PHE A 58 -5.685 -4.360 -5.032 1.00 0.00 N ATOM 932 CA PHE A 58 -4.980 -3.304 -5.749 1.00 0.00 C ATOM 933 C PHE A 58 -5.861 -2.707 -6.842 1.00 0.00 C ATOM 934 O PHE A 58 -5.617 -1.595 -7.313 1.00 0.00 O ATOM 935 CB PHE A 58 -3.687 -3.848 -6.360 1.00 0.00 C ATOM 936 CG PHE A 58 -2.502 -3.751 -5.442 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.816 -2.555 -5.299 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.076 -4.854 -4.720 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.725 -2.463 -4.456 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.985 -4.768 -3.875 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.310 -3.570 -3.742 1.00 0.00 C ATOM 0 H PHE A 58 -5.267 -5.286 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.733 -2.517 -5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.837 -4.891 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.471 -3.302 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.138 -1.685 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.602 -5.792 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.197 -1.526 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.661 -5.636 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.541 -3.499 -3.081 1.00 0.00 H new ATOM 951 N ILE A 59 -6.884 -3.454 -7.243 1.00 0.00 N ATOM 952 CA ILE A 59 -7.802 -2.999 -8.280 1.00 0.00 C ATOM 953 C ILE A 59 -8.696 -1.875 -7.769 1.00 0.00 C ATOM 954 O ILE A 59 -8.637 -0.749 -8.262 1.00 0.00 O ATOM 955 CB ILE A 59 -8.686 -4.151 -8.793 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.819 -5.273 -9.368 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.665 -3.641 -9.841 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.598 -6.522 -9.713 1.00 0.00 C ATOM 0 H ILE A 59 -7.098 -4.377 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.190 -2.627 -9.102 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.256 -4.552 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.316 -4.909 -10.264 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.042 -5.527 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.283 -4.467 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.302 -2.874 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.112 -3.217 -10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.920 -7.274 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.080 -6.910 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.357 -6.283 -10.458 1.00 0.00 H new ATOM 970 N ASN A 60 -9.522 -2.188 -6.776 1.00 0.00 N ATOM 971 CA ASN A 60 -10.428 -1.203 -6.197 1.00 0.00 C ATOM 972 C ASN A 60 -9.658 -0.171 -5.377 1.00 0.00 C ATOM 973 O ASN A 60 -10.086 0.975 -5.245 1.00 0.00 O ATOM 974 CB ASN A 60 -11.471 -1.895 -5.316 1.00 0.00 C ATOM 975 CG ASN A 60 -11.916 -3.228 -5.886 1.00 0.00 C ATOM 976 OD1 ASN A 60 -12.813 -3.287 -6.727 1.00 0.00 O ATOM 977 ND2 ASN A 60 -11.289 -4.306 -5.429 1.00 0.00 N ATOM 0 H ASN A 60 -9.583 -3.115 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.935 -0.688 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.057 -2.049 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.338 -1.243 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.545 -5.230 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.551 -4.209 -4.732 1.00 0.00 H new ATOM 984 N ALA A 61 -8.521 -0.587 -4.830 1.00 0.00 N ATOM 985 CA ALA A 61 -7.690 0.301 -4.026 1.00 0.00 C ATOM 986 C ALA A 61 -7.020 1.360 -4.894 1.00 0.00 C ATOM 987 O ALA A 61 -6.994 2.540 -4.542 1.00 0.00 O ATOM 988 CB ALA A 61 -6.644 -0.500 -3.266 1.00 0.00 C ATOM 0 H ALA A 61 -8.154 -1.534 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.334 0.810 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.031 0.176 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.140 -1.215 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.011 -1.036 -3.974 1.00 0.00 H new ATOM 994 N ARG A 62 -6.479 0.933 -6.030 1.00 0.00 N ATOM 995 CA ARG A 62 -5.807 1.845 -6.947 1.00 0.00 C ATOM 996 C ARG A 62 -6.805 2.803 -7.590 1.00 0.00 C ATOM 997 O ARG A 62 -6.430 3.667 -8.383 1.00 0.00 O ATOM 998 CB ARG A 62 -5.067 1.059 -8.032 1.00 0.00 C ATOM 999 CG ARG A 62 -3.802 0.379 -7.535 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.209 -0.537 -8.594 1.00 0.00 C ATOM 1001 NE ARG A 62 -4.239 -1.280 -9.314 1.00 0.00 N ATOM 1002 CZ ARG A 62 -4.885 -0.804 -10.372 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -4.609 0.409 -10.831 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -5.810 -1.542 -10.974 1.00 0.00 N ATOM 0 H ARG A 62 -6.493 -0.039 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.086 2.429 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.737 0.304 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.810 1.735 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.068 1.134 -7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.026 -0.198 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.628 0.055 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.520 -1.237 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.475 -2.217 -8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.899 0.979 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.107 0.772 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.025 -2.476 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.306 -1.175 -11.787 1.00 0.00 H new ATOM 1018 N ARG A 63 -8.078 2.643 -7.244 1.00 0.00 N ATOM 1019 CA ARG A 63 -9.131 3.492 -7.788 1.00 0.00 C ATOM 1020 C ARG A 63 -9.510 4.590 -6.799 1.00 0.00 C ATOM 1021 O ARG A 63 -9.951 5.670 -7.193 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.363 2.654 -8.134 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.299 2.016 -9.512 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.565 1.232 -9.822 1.00 0.00 C ATOM 1025 NE ARG A 63 -11.676 0.913 -11.243 1.00 0.00 N ATOM 1026 CZ ARG A 63 -12.793 0.474 -11.812 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -13.889 0.302 -11.085 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -12.816 0.206 -13.111 1.00 0.00 N ATOM 0 H ARG A 63 -8.405 1.933 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.752 3.961 -8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.481 1.870 -7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.249 3.286 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.155 2.790 -10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.436 1.352 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.571 0.309 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.435 1.810 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.851 1.034 -11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.876 0.507 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.745 -0.035 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.975 0.337 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.674 -0.131 -13.547 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.336 4.306 -5.512 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.661 5.268 -4.466 1.00 0.00 C ATOM 1044 C ARG A 64 -8.462 5.506 -3.554 1.00 0.00 C ATOM 1045 O ARG A 64 -8.166 6.642 -3.184 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.853 4.776 -3.643 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.680 5.898 -3.037 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.944 5.366 -2.381 1.00 0.00 C ATOM 1049 NE ARG A 64 -13.616 6.386 -1.580 1.00 0.00 N ATOM 1050 CZ ARG A 64 -14.878 6.290 -1.176 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -15.600 5.225 -1.496 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -15.419 7.260 -0.451 1.00 0.00 N ATOM 0 H ARG A 64 -8.972 3.417 -5.169 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.924 6.212 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.495 4.165 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.490 4.131 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.083 6.433 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.946 6.616 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.625 5.002 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.693 4.515 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.087 7.218 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.187 4.477 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.569 5.153 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.866 8.081 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.388 7.185 -0.141 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.776 4.426 -3.194 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.609 4.517 -2.325 1.00 0.00 C ATOM 1068 C ILE A 65 -5.442 5.189 -3.041 1.00 0.00 C ATOM 1069 O ILE A 65 -4.910 6.197 -2.575 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.164 3.127 -1.833 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.328 2.407 -1.150 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.983 3.256 -0.882 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.969 1.031 -0.635 1.00 0.00 C ATOM 0 H ILE A 65 -8.008 3.478 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.901 5.121 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.851 2.536 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.684 3.016 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.154 2.318 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.679 2.266 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.150 3.734 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.272 3.861 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.842 0.580 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.642 0.406 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.164 1.114 0.095 1.00 0.00 H new ATOM 1085 N LEU A 66 -5.049 4.624 -4.177 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.945 5.169 -4.960 1.00 0.00 C ATOM 1087 C LEU A 66 -4.082 6.680 -5.116 1.00 0.00 C ATOM 1088 O LEU A 66 -3.166 7.445 -4.813 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.894 4.505 -6.338 1.00 0.00 C ATOM 1090 CG LEU A 66 -3.112 5.256 -7.416 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.730 5.635 -6.907 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -3.005 4.415 -8.680 1.00 0.00 C ATOM 0 H LEU A 66 -5.478 3.789 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.017 4.960 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.457 3.513 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.916 4.365 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.651 6.172 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.188 6.169 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.828 6.276 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.182 4.733 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.445 4.965 -9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.489 3.482 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.004 4.195 -9.056 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.253 7.122 -5.598 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.538 8.545 -5.803 1.00 0.00 C ATOM 1106 C PRO A 67 -5.683 9.302 -4.487 1.00 0.00 C ATOM 1107 O PRO A 67 -5.777 10.530 -4.473 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.867 8.535 -6.562 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.511 7.246 -6.182 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.388 6.266 -5.981 1.00 0.00 C ATOM 0 HA PRO A 67 -4.731 9.050 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.489 9.386 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.708 8.596 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.100 7.357 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.192 6.905 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.623 5.539 -5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.178 5.703 -6.891 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.698 8.563 -3.383 1.00 0.00 N ATOM 1119 CA ASP A 68 -5.830 9.165 -2.062 1.00 0.00 C ATOM 1120 C ASP A 68 -4.464 9.555 -1.504 1.00 0.00 C ATOM 1121 O ASP A 68 -4.298 10.639 -0.946 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.528 8.198 -1.104 1.00 0.00 C ATOM 1123 CG ASP A 68 -6.777 8.812 0.259 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -5.797 9.234 0.908 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -7.953 8.871 0.678 1.00 0.00 O ATOM 0 H ASP A 68 -5.620 7.546 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.434 10.067 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.478 7.885 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.919 7.301 -0.990 1.00 0.00 H new