USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 68 HIS :FLIP no HD1:sc= -0.426 F(o=-3.2,f=-1.2) USER MOD Set 1.2: A 102 MET CE :methyl -171:sc= -0.768 (180deg=-1.03) USER MOD Set 2.1: A 84 SER OG : rot -130:sc= 1.3 USER MOD Set 2.2: A 91 ASN : amide:sc= 1.5 K(o=2.8,f=-7.8!) USER MOD Set 3.1: A 49 HIS : no HD1:sc= 0.34 K(o=1.6,f=-5.7!) USER MOD Set 3.2: A 52 SER OG : rot -67:sc= 1.29 USER MOD Single : A 16 TYR OH : rot 99:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -56:sc= 0.0586 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 47:sc= 0.269 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.18) USER MOD Single : A 62 GLN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -3.28! C(o=-3.3!,f=-7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -75:sc= 1.15 USER MOD Single : A 85 SER OG : rot -111:sc= 1.74 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0228 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 95 CYS SG : rot 137:sc= 0.189 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.401 F(o=-0.93,f=-0.4) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.0552 (180deg=-0.326) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.169 5.581 -7.453 1.00 0.00 N ATOM 180 CA TYR A 16 -5.421 5.154 -8.617 1.00 0.00 C ATOM 181 C TYR A 16 -4.138 4.463 -8.136 1.00 0.00 C ATOM 182 O TYR A 16 -4.095 3.232 -8.161 1.00 0.00 O ATOM 183 CB TYR A 16 -5.210 6.329 -9.586 1.00 0.00 C ATOM 184 CG TYR A 16 -4.631 7.615 -9.009 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.420 8.468 -8.215 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.297 7.965 -9.277 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.867 9.626 -7.640 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.723 9.102 -8.679 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.510 9.941 -7.863 1.00 0.00 C ATOM 190 OH TYR A 16 -2.949 11.037 -7.277 1.00 0.00 O ATOM 0 HA TYR A 16 -5.972 4.420 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.552 5.992 -10.387 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.171 6.567 -10.042 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.460 8.231 -8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.708 7.357 -9.947 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.480 10.273 -7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.681 9.332 -8.845 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.451 10.762 -6.479 1.00 0.00 H new ATOM 200 N ILE A 17 -3.164 5.212 -7.614 1.00 0.00 N ATOM 201 CA ILE A 17 -1.791 4.786 -7.311 1.00 0.00 C ATOM 202 C ILE A 17 -1.072 4.308 -8.585 1.00 0.00 C ATOM 203 O ILE A 17 -1.208 3.152 -8.987 1.00 0.00 O ATOM 204 CB ILE A 17 -1.702 3.749 -6.161 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.475 4.156 -4.888 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.224 3.459 -5.824 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.028 5.481 -4.266 1.00 0.00 C ATOM 0 H ILE A 17 -3.320 6.192 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.268 5.666 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.188 2.844 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.536 4.223 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.366 3.366 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.171 2.730 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.279 3.061 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.266 4.382 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.625 5.686 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.976 5.416 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.164 6.286 -4.988 1.00 0.00 H new ATOM 219 N PRO A 18 -0.296 5.196 -9.226 1.00 0.00 N ATOM 220 CA PRO A 18 0.426 4.902 -10.452 1.00 0.00 C ATOM 221 C PRO A 18 1.605 3.974 -10.156 1.00 0.00 C ATOM 222 O PRO A 18 2.566 4.385 -9.494 1.00 0.00 O ATOM 223 CB PRO A 18 0.868 6.269 -10.985 1.00 0.00 C ATOM 224 CG PRO A 18 1.009 7.122 -9.722 1.00 0.00 C ATOM 225 CD PRO A 18 -0.046 6.564 -8.803 1.00 0.00 C ATOM 0 HA PRO A 18 -0.178 4.378 -11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.810 6.201 -11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.132 6.688 -11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.005 7.036 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.842 8.179 -9.930 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.291 6.592 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.959 7.158 -8.858 1.00 0.00 H new ATOM 233 N LEU A 19 1.540 2.726 -10.629 1.00 0.00 N ATOM 234 CA LEU A 19 2.626 1.753 -10.509 1.00 0.00 C ATOM 235 C LEU A 19 3.881 2.209 -11.250 1.00 0.00 C ATOM 236 O LEU A 19 4.987 1.853 -10.845 1.00 0.00 O ATOM 237 CB LEU A 19 2.183 0.371 -11.023 1.00 0.00 C ATOM 238 CG LEU A 19 1.260 -0.379 -10.044 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.613 -1.592 -10.713 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.034 -0.890 -8.831 1.00 0.00 C ATOM 0 H LEU A 19 0.720 2.360 -11.112 1.00 0.00 H new ATOM 0 HA LEU A 19 2.871 1.675 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.667 0.494 -11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.067 -0.237 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 19 0.498 0.336 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.033 -2.101 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.020 -1.264 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.389 -2.277 -11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.354 -1.414 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.817 -1.573 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.484 -0.048 -8.306 1.00 0.00 H new ATOM 252 N ASP A 20 3.740 3.005 -12.310 1.00 0.00 N ATOM 253 CA ASP A 20 4.872 3.429 -13.126 1.00 0.00 C ATOM 254 C ASP A 20 5.767 4.360 -12.310 1.00 0.00 C ATOM 255 O ASP A 20 6.994 4.280 -12.389 1.00 0.00 O ATOM 256 CB ASP A 20 4.414 4.160 -14.396 1.00 0.00 C ATOM 257 CG ASP A 20 3.669 3.302 -15.422 1.00 0.00 C ATOM 258 OD1 ASP A 20 3.584 2.050 -15.319 1.00 0.00 O ATOM 259 OD2 ASP A 20 3.132 3.896 -16.377 1.00 0.00 O ATOM 0 H ASP A 20 2.841 3.371 -12.624 1.00 0.00 H new ATOM 0 HA ASP A 20 5.421 2.536 -13.425 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.768 4.988 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.289 4.594 -14.879 1.00 0.00 H new ATOM 264 N ARG A 21 5.185 5.293 -11.546 1.00 0.00 N ATOM 265 CA ARG A 21 5.904 6.283 -10.769 1.00 0.00 C ATOM 266 C ARG A 21 6.589 5.743 -9.523 1.00 0.00 C ATOM 267 O ARG A 21 7.417 6.459 -8.958 1.00 0.00 O ATOM 268 CB ARG A 21 4.874 7.347 -10.379 1.00 0.00 C ATOM 269 CG ARG A 21 5.397 8.753 -10.624 1.00 0.00 C ATOM 270 CD ARG A 21 5.849 9.429 -9.326 1.00 0.00 C ATOM 271 NE ARG A 21 6.402 10.772 -9.541 1.00 0.00 N ATOM 272 CZ ARG A 21 7.674 11.101 -9.790 1.00 0.00 C ATOM 273 NH1 ARG A 21 8.608 10.162 -9.915 1.00 0.00 N ATOM 274 NH2 ARG A 21 8.005 12.381 -9.897 1.00 0.00 N ATOM 0 H ARG A 21 4.172 5.373 -11.456 1.00 0.00 H new ATOM 0 HA ARG A 21 6.719 6.672 -11.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.959 7.194 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.615 7.234 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.233 8.713 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.618 9.353 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.002 9.496 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.600 8.806 -8.841 1.00 0.00 H new ATOM 0 HE ARG A 21 5.738 11.545 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.357 9.178 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.575 10.426 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.292 13.103 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.972 12.644 -10.087 1.00 0.00 H new ATOM 288 N LEU A 22 6.226 4.557 -9.049 1.00 0.00 N ATOM 289 CA LEU A 22 6.866 3.939 -7.894 1.00 0.00 C ATOM 290 C LEU A 22 8.177 3.277 -8.347 1.00 0.00 C ATOM 291 O LEU A 22 8.628 3.435 -9.482 1.00 0.00 O ATOM 292 CB LEU A 22 5.917 2.893 -7.285 1.00 0.00 C ATOM 293 CG LEU A 22 4.553 3.391 -6.772 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.590 2.230 -6.522 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.730 4.202 -5.491 1.00 0.00 C ATOM 0 H LEU A 22 5.478 3.996 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 22 7.088 4.691 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.735 2.125 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.434 2.411 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 22 4.124 4.028 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.638 2.618 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.430 1.683 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.015 1.559 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.757 4.547 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.190 3.577 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.369 5.062 -5.690 1.00 0.00 H new ATOM 307 N SER A 23 8.767 2.500 -7.448 1.00 0.00 N ATOM 308 CA SER A 23 9.884 1.608 -7.657 1.00 0.00 C ATOM 309 C SER A 23 9.462 0.236 -7.103 1.00 0.00 C ATOM 310 O SER A 23 9.596 -0.035 -5.906 1.00 0.00 O ATOM 311 CB SER A 23 11.096 2.182 -6.921 1.00 0.00 C ATOM 312 OG SER A 23 11.462 3.487 -7.352 1.00 0.00 O ATOM 0 H SER A 23 8.446 2.481 -6.480 1.00 0.00 H new ATOM 0 HA SER A 23 10.156 1.500 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.882 2.209 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.945 1.512 -7.059 1.00 0.00 H new ATOM 0 HG SER A 23 12.240 3.794 -6.841 1.00 0.00 H new ATOM 318 N ILE A 24 8.854 -0.603 -7.944 1.00 0.00 N ATOM 319 CA ILE A 24 8.401 -1.956 -7.609 1.00 0.00 C ATOM 320 C ILE A 24 9.638 -2.853 -7.593 1.00 0.00 C ATOM 321 O ILE A 24 10.473 -2.750 -8.497 1.00 0.00 O ATOM 322 CB ILE A 24 7.371 -2.428 -8.674 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.986 -1.768 -8.531 1.00 0.00 C ATOM 324 CG2 ILE A 24 7.060 -3.926 -8.587 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.966 -0.265 -8.715 1.00 0.00 C ATOM 0 H ILE A 24 8.656 -0.350 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 24 7.910 -1.991 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 24 7.862 -2.153 -9.607 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.311 -2.216 -9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.590 -2.002 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.335 -4.192 -9.356 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.976 -4.497 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.647 -4.155 -7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.947 0.103 -8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.610 0.201 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.327 -0.016 -9.713 1.00 0.00 H new ATOM 337 N SER A 25 9.742 -3.772 -6.633 1.00 0.00 N ATOM 338 CA SER A 25 10.663 -4.892 -6.774 1.00 0.00 C ATOM 339 C SER A 25 10.070 -6.104 -6.084 1.00 0.00 C ATOM 340 O SER A 25 9.942 -6.143 -4.858 1.00 0.00 O ATOM 341 CB SER A 25 12.069 -4.575 -6.237 1.00 0.00 C ATOM 342 OG SER A 25 12.996 -5.576 -6.646 1.00 0.00 O ATOM 0 H SER A 25 9.208 -3.762 -5.764 1.00 0.00 H new ATOM 0 HA SER A 25 10.792 -5.098 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.393 -3.600 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.045 -4.516 -5.149 1.00 0.00 H new ATOM 0 HG SER A 25 12.683 -6.454 -6.345 1.00 0.00 H new ATOM 348 N TYR A 26 9.790 -7.135 -6.863 1.00 0.00 N ATOM 349 CA TYR A 26 9.511 -8.443 -6.317 1.00 0.00 C ATOM 350 C TYR A 26 10.839 -9.071 -5.870 1.00 0.00 C ATOM 351 O TYR A 26 11.926 -8.561 -6.164 1.00 0.00 O ATOM 352 CB TYR A 26 8.766 -9.309 -7.342 1.00 0.00 C ATOM 353 CG TYR A 26 7.648 -8.625 -8.124 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.828 -7.625 -7.555 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.489 -8.938 -9.486 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.952 -6.884 -8.356 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.579 -8.226 -10.285 1.00 0.00 C ATOM 358 CZ TYR A 26 5.824 -7.167 -9.734 1.00 0.00 C ATOM 359 OH TYR A 26 5.027 -6.406 -10.535 1.00 0.00 O ATOM 0 H TYR A 26 9.751 -7.086 -7.881 1.00 0.00 H new ATOM 0 HA TYR A 26 8.854 -8.365 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.494 -9.697 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.342 -10.167 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.878 -7.431 -6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.073 -9.735 -9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.368 -6.088 -7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.456 -8.489 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 26 5.063 -6.748 -11.453 1.00 0.00 H new ATOM 369 N CYS A 27 10.734 -10.113 -5.050 1.00 0.00 N ATOM 370 CA CYS A 27 11.803 -10.943 -4.499 1.00 0.00 C ATOM 371 C CYS A 27 11.154 -12.285 -4.123 1.00 0.00 C ATOM 372 O CYS A 27 10.022 -12.550 -4.544 1.00 0.00 O ATOM 373 CB CYS A 27 12.453 -10.234 -3.292 1.00 0.00 C ATOM 374 SG CYS A 27 13.923 -9.334 -3.850 1.00 0.00 S ATOM 0 H CYS A 27 9.819 -10.426 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 27 12.609 -11.113 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.743 -9.546 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.726 -10.964 -2.530 1.00 0.00 H new ATOM 0 HG CYS A 27 13.638 -8.662 -4.926 1.00 0.00 H new ATOM 585 N LYS A 43 7.429 -12.058 -3.267 1.00 0.00 N ATOM 586 CA LYS A 43 7.433 -10.837 -2.461 1.00 0.00 C ATOM 587 C LYS A 43 7.007 -9.676 -3.355 1.00 0.00 C ATOM 588 O LYS A 43 7.199 -9.738 -4.570 1.00 0.00 O ATOM 589 CB LYS A 43 8.826 -10.588 -1.860 1.00 0.00 C ATOM 590 CG LYS A 43 8.785 -9.515 -0.757 1.00 0.00 C ATOM 591 CD LYS A 43 10.115 -9.128 -0.116 1.00 0.00 C ATOM 592 CE LYS A 43 10.228 -7.616 0.025 1.00 0.00 C ATOM 593 NZ LYS A 43 11.621 -7.119 0.001 1.00 0.00 N ATOM 0 HA LYS A 43 6.736 -10.935 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.217 -11.519 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.512 -10.275 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.337 -8.615 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.118 -9.865 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.201 -9.597 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.939 -9.504 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.669 -7.142 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.759 -7.311 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.619 -6.079 -0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.127 -7.462 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.099 -7.466 -0.855 1.00 0.00 H new ATOM 607 N ALA A 44 6.492 -8.602 -2.758 1.00 0.00 N ATOM 608 CA ALA A 44 6.208 -7.364 -3.449 1.00 0.00 C ATOM 609 C ALA A 44 6.678 -6.195 -2.584 1.00 0.00 C ATOM 610 O ALA A 44 6.035 -5.835 -1.595 1.00 0.00 O ATOM 611 CB ALA A 44 4.706 -7.312 -3.725 1.00 0.00 C ATOM 0 H ALA A 44 6.260 -8.576 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 44 6.736 -7.301 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.464 -6.386 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.420 -8.163 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.161 -7.350 -2.782 1.00 0.00 H new ATOM 617 N GLU A 45 7.774 -5.551 -2.986 1.00 0.00 N ATOM 618 CA GLU A 45 8.276 -4.340 -2.365 1.00 0.00 C ATOM 619 C GLU A 45 7.887 -3.185 -3.269 1.00 0.00 C ATOM 620 O GLU A 45 7.892 -3.302 -4.497 1.00 0.00 O ATOM 621 CB GLU A 45 9.795 -4.430 -2.186 1.00 0.00 C ATOM 622 CG GLU A 45 10.372 -3.263 -1.384 1.00 0.00 C ATOM 623 CD GLU A 45 11.836 -3.525 -1.028 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.094 -4.361 -0.121 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.710 -2.913 -1.672 1.00 0.00 O ATOM 0 H GLU A 45 8.345 -5.869 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 45 7.850 -4.195 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.041 -5.366 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.270 -4.460 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.292 -2.343 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.791 -3.118 -0.473 1.00 0.00 H new ATOM 632 N VAL A 46 7.550 -2.068 -2.658 1.00 0.00 N ATOM 633 CA VAL A 46 7.209 -0.824 -3.305 1.00 0.00 C ATOM 634 C VAL A 46 8.008 0.228 -2.566 1.00 0.00 C ATOM 635 O VAL A 46 7.871 0.377 -1.350 1.00 0.00 O ATOM 636 CB VAL A 46 5.689 -0.587 -3.240 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.335 0.829 -3.700 1.00 0.00 C ATOM 638 CG2 VAL A 46 4.952 -1.599 -4.127 1.00 0.00 C ATOM 0 H VAL A 46 7.505 -2.003 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 46 7.451 -0.810 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 46 5.379 -0.713 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.256 0.970 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.830 1.555 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.667 0.971 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.879 -1.419 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.285 -1.488 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.169 -2.610 -3.783 1.00 0.00 H new ATOM 648 N ARG A 47 8.841 0.958 -3.297 1.00 0.00 N ATOM 649 CA ARG A 47 9.607 2.084 -2.801 1.00 0.00 C ATOM 650 C ARG A 47 9.162 3.315 -3.578 1.00 0.00 C ATOM 651 O ARG A 47 8.872 3.206 -4.766 1.00 0.00 O ATOM 652 CB ARG A 47 11.093 1.723 -2.927 1.00 0.00 C ATOM 653 CG ARG A 47 12.074 2.864 -2.702 1.00 0.00 C ATOM 654 CD ARG A 47 13.486 2.325 -2.432 1.00 0.00 C ATOM 655 NE ARG A 47 14.069 1.556 -3.552 1.00 0.00 N ATOM 656 CZ ARG A 47 14.895 2.014 -4.505 1.00 0.00 C ATOM 657 NH1 ARG A 47 15.140 3.314 -4.616 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.513 1.162 -5.318 1.00 0.00 N ATOM 0 H ARG A 47 9.004 0.772 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 47 9.441 2.313 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.317 0.931 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.264 1.313 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.089 3.514 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.745 3.472 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.144 3.163 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.456 1.689 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 47 13.816 0.569 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.699 3.973 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.769 3.654 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.359 0.159 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.141 1.512 -6.042 1.00 0.00 H new ATOM 672 N PHE A 48 9.064 4.470 -2.929 1.00 0.00 N ATOM 673 CA PHE A 48 8.929 5.753 -3.604 1.00 0.00 C ATOM 674 C PHE A 48 9.584 6.842 -2.772 1.00 0.00 C ATOM 675 O PHE A 48 9.349 6.910 -1.569 1.00 0.00 O ATOM 676 CB PHE A 48 7.463 6.083 -3.914 1.00 0.00 C ATOM 677 CG PHE A 48 6.475 6.134 -2.757 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.790 4.975 -2.352 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.177 7.355 -2.127 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.779 5.041 -1.379 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.182 7.420 -1.133 1.00 0.00 C ATOM 682 CZ PHE A 48 4.455 6.269 -0.785 1.00 0.00 C ATOM 0 H PHE A 48 9.076 4.541 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 48 9.441 5.693 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.439 7.051 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.100 5.345 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.044 4.023 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.715 8.249 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.251 4.145 -1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.977 8.357 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.652 6.330 -0.065 1.00 0.00 H new ATOM 692 N HIS A 49 10.372 7.724 -3.386 1.00 0.00 N ATOM 693 CA HIS A 49 10.721 9.025 -2.824 1.00 0.00 C ATOM 694 C HIS A 49 9.440 9.811 -2.638 1.00 0.00 C ATOM 695 O HIS A 49 8.904 10.409 -3.572 1.00 0.00 O ATOM 696 CB HIS A 49 11.741 9.724 -3.723 1.00 0.00 C ATOM 697 CG HIS A 49 12.360 10.958 -3.123 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.479 12.163 -3.768 1.00 0.00 N ATOM 699 CD2 HIS A 49 13.005 11.061 -1.918 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.212 12.973 -2.992 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.546 12.350 -1.845 1.00 0.00 N ATOM 0 H HIS A 49 10.791 7.551 -4.300 1.00 0.00 H new ATOM 0 HA HIS A 49 11.200 8.928 -1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.534 9.018 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.255 9.996 -4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 49 13.082 10.291 -1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.495 13.983 -3.250 1.00 0.00 H new ATOM 0 HE2 HIS A 49 14.087 12.741 -1.074 1.00 0.00 H new ATOM 709 N LEU A 50 8.946 9.792 -1.403 1.00 0.00 N ATOM 710 CA LEU A 50 7.782 10.539 -0.981 1.00 0.00 C ATOM 711 C LEU A 50 7.982 12.021 -1.345 1.00 0.00 C ATOM 712 O LEU A 50 7.052 12.695 -1.782 1.00 0.00 O ATOM 713 CB LEU A 50 7.589 10.321 0.509 1.00 0.00 C ATOM 714 CG LEU A 50 6.571 11.330 1.066 1.00 0.00 C ATOM 715 CD1 LEU A 50 5.624 10.635 2.018 1.00 0.00 C ATOM 716 CD2 LEU A 50 7.326 12.485 1.724 1.00 0.00 C ATOM 0 H LEU A 50 9.361 9.239 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 50 6.878 10.200 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.242 9.304 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.542 10.431 1.027 1.00 0.00 H new ATOM 0 HG LEU A 50 5.962 11.745 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.906 11.356 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.093 9.844 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.190 10.203 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.612 13.206 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.944 12.100 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.961 12.973 0.984 1.00 0.00 H new ATOM 728 N ALA A 51 9.195 12.551 -1.159 1.00 0.00 N ATOM 729 CA ALA A 51 9.456 13.971 -1.355 1.00 0.00 C ATOM 730 C ALA A 51 9.439 14.375 -2.838 1.00 0.00 C ATOM 731 O ALA A 51 9.501 15.566 -3.128 1.00 0.00 O ATOM 732 CB ALA A 51 10.755 14.351 -0.646 1.00 0.00 C ATOM 0 H ALA A 51 10.011 12.011 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 51 8.644 14.541 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.952 15.413 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.662 14.142 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.579 13.769 -1.060 1.00 0.00 H new ATOM 738 N SER A 52 9.298 13.433 -3.776 1.00 0.00 N ATOM 739 CA SER A 52 8.883 13.719 -5.146 1.00 0.00 C ATOM 740 C SER A 52 7.660 12.876 -5.545 1.00 0.00 C ATOM 741 O SER A 52 7.405 12.645 -6.727 1.00 0.00 O ATOM 742 CB SER A 52 10.079 13.657 -6.106 1.00 0.00 C ATOM 743 OG SER A 52 10.785 12.431 -6.078 1.00 0.00 O ATOM 0 H SER A 52 9.471 12.443 -3.601 1.00 0.00 H new ATOM 0 HA SER A 52 8.531 14.748 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.725 13.836 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.768 14.465 -5.862 1.00 0.00 H new ATOM 0 HG SER A 52 11.231 12.330 -5.211 1.00 0.00 H new ATOM 749 N ALA A 53 6.896 12.368 -4.567 1.00 0.00 N ATOM 750 CA ALA A 53 5.585 11.776 -4.792 1.00 0.00 C ATOM 751 C ALA A 53 4.562 12.909 -4.825 1.00 0.00 C ATOM 752 O ALA A 53 3.727 13.034 -3.931 1.00 0.00 O ATOM 753 CB ALA A 53 5.271 10.740 -3.702 1.00 0.00 C ATOM 0 H ALA A 53 7.182 12.360 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 53 5.556 11.241 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.288 10.307 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.024 9.952 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.278 11.225 -2.726 1.00 0.00 H new ATOM 759 N ASP A 54 4.630 13.769 -5.840 1.00 0.00 N ATOM 760 CA ASP A 54 3.788 14.969 -5.978 1.00 0.00 C ATOM 761 C ASP A 54 2.364 14.617 -6.441 1.00 0.00 C ATOM 762 O ASP A 54 1.598 15.477 -6.886 1.00 0.00 O ATOM 763 CB ASP A 54 4.479 15.999 -6.890 1.00 0.00 C ATOM 764 CG ASP A 54 5.630 16.686 -6.160 1.00 0.00 C ATOM 765 OD1 ASP A 54 6.647 16.039 -5.832 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.533 17.886 -5.828 1.00 0.00 O ATOM 0 H ASP A 54 5.287 13.653 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 54 3.672 15.429 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.855 15.504 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.754 16.744 -7.218 1.00 0.00 H new ATOM 771 N TRP A 55 2.007 13.336 -6.349 1.00 0.00 N ATOM 772 CA TRP A 55 0.665 12.790 -6.414 1.00 0.00 C ATOM 773 C TRP A 55 0.056 12.618 -5.012 1.00 0.00 C ATOM 774 O TRP A 55 -1.152 12.393 -4.924 1.00 0.00 O ATOM 775 CB TRP A 55 0.725 11.458 -7.178 1.00 0.00 C ATOM 776 CG TRP A 55 1.743 10.469 -6.690 1.00 0.00 C ATOM 777 CD1 TRP A 55 3.037 10.419 -7.074 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.579 9.397 -5.716 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.680 9.389 -6.414 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.831 8.736 -5.548 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.500 8.931 -4.942 1.00 0.00 C ATOM 782 CZ2 TRP A 55 3.007 7.680 -4.641 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.657 7.864 -4.041 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.908 7.242 -3.883 1.00 0.00 C ATOM 0 H TRP A 55 2.705 12.604 -6.217 1.00 0.00 H new ATOM 0 HA TRP A 55 0.011 13.483 -6.943 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.259 10.990 -7.133 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.928 11.672 -8.227 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.499 11.084 -7.789 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.660 9.143 -6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.467 9.402 -5.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.973 7.211 -4.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.190 7.519 -3.466 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.024 6.430 -3.181 1.00 0.00 H new ATOM 795 N ILE A 56 0.833 12.727 -3.926 1.00 0.00 N ATOM 796 CA ILE A 56 0.341 12.823 -2.549 1.00 0.00 C ATOM 797 C ILE A 56 0.246 14.315 -2.210 1.00 0.00 C ATOM 798 O ILE A 56 1.054 15.138 -2.651 1.00 0.00 O ATOM 799 CB ILE A 56 1.272 12.043 -1.570 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.418 10.552 -1.953 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.796 12.142 -0.101 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.331 9.726 -1.023 1.00 0.00 C ATOM 0 H ILE A 56 1.851 12.751 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.642 12.363 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 56 2.246 12.524 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.428 10.096 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.808 10.490 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.477 11.583 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.783 13.187 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.208 11.726 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.370 8.695 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.335 10.149 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.934 9.750 -0.008 1.00 0.00 H new ATOM 814 N GLU A 57 -0.761 14.644 -1.405 1.00 0.00 N ATOM 815 CA GLU A 57 -0.996 15.968 -0.856 1.00 0.00 C ATOM 816 C GLU A 57 0.192 16.368 -0.004 1.00 0.00 C ATOM 817 O GLU A 57 0.693 15.554 0.763 1.00 0.00 O ATOM 818 CB GLU A 57 -2.260 15.979 0.020 1.00 0.00 C ATOM 819 CG GLU A 57 -3.368 15.067 -0.461 1.00 0.00 C ATOM 820 CD GLU A 57 -4.706 15.355 0.220 1.00 0.00 C ATOM 821 OE1 GLU A 57 -4.738 15.814 1.378 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.774 15.204 -0.413 1.00 0.00 O ATOM 0 H GLU A 57 -1.462 13.965 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.131 16.668 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.985 15.691 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.642 16.998 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.482 15.178 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.086 14.031 -0.276 1.00 0.00 H new ATOM 829 N GLU A 58 0.584 17.634 -0.029 1.00 0.00 N ATOM 830 CA GLU A 58 1.602 18.130 0.884 1.00 0.00 C ATOM 831 C GLU A 58 1.339 17.817 2.366 1.00 0.00 C ATOM 832 O GLU A 58 2.276 17.395 3.057 1.00 0.00 O ATOM 833 CB GLU A 58 1.761 19.639 0.716 1.00 0.00 C ATOM 834 CG GLU A 58 3.227 19.994 0.477 1.00 0.00 C ATOM 835 CD GLU A 58 3.455 20.291 -0.999 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.480 19.338 -1.810 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.543 21.486 -1.371 1.00 0.00 O ATOM 0 H GLU A 58 0.213 18.335 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 58 2.516 17.601 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.155 19.984 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.396 20.151 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.503 20.860 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.866 19.170 0.794 1.00 0.00 H new ATOM 844 N PRO A 59 0.118 18.023 2.902 1.00 0.00 N ATOM 845 CA PRO A 59 -0.069 17.886 4.338 1.00 0.00 C ATOM 846 C PRO A 59 -0.095 16.407 4.749 1.00 0.00 C ATOM 847 O PRO A 59 0.211 16.074 5.896 1.00 0.00 O ATOM 848 CB PRO A 59 -1.376 18.619 4.647 1.00 0.00 C ATOM 849 CG PRO A 59 -2.179 18.505 3.351 1.00 0.00 C ATOM 850 CD PRO A 59 -1.130 18.418 2.245 1.00 0.00 C ATOM 0 HA PRO A 59 0.752 18.317 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.902 18.161 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.196 19.660 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.819 17.623 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.829 19.369 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.420 17.689 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.018 19.376 1.738 1.00 0.00 H new ATOM 858 N VAL A 60 -0.411 15.527 3.797 1.00 0.00 N ATOM 859 CA VAL A 60 -0.386 14.083 3.918 1.00 0.00 C ATOM 860 C VAL A 60 1.062 13.610 3.778 1.00 0.00 C ATOM 861 O VAL A 60 1.517 12.808 4.588 1.00 0.00 O ATOM 862 CB VAL A 60 -1.322 13.504 2.839 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.314 11.982 2.734 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.772 13.925 3.101 1.00 0.00 C ATOM 0 H VAL A 60 -0.708 15.830 2.869 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.743 13.738 4.888 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.933 13.909 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.002 11.668 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.308 11.639 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.626 11.550 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.418 13.507 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.087 13.556 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.844 15.012 3.084 1.00 0.00 H new ATOM 874 N ARG A 61 1.828 14.123 2.807 1.00 0.00 N ATOM 875 CA ARG A 61 3.222 13.740 2.596 1.00 0.00 C ATOM 876 C ARG A 61 4.003 13.905 3.879 1.00 0.00 C ATOM 877 O ARG A 61 4.655 12.969 4.334 1.00 0.00 O ATOM 878 CB ARG A 61 3.898 14.564 1.484 1.00 0.00 C ATOM 879 CG ARG A 61 3.624 14.002 0.092 1.00 0.00 C ATOM 880 CD ARG A 61 4.697 14.390 -0.922 1.00 0.00 C ATOM 881 NE ARG A 61 4.529 15.738 -1.482 1.00 0.00 N ATOM 882 CZ ARG A 61 5.143 16.153 -2.598 1.00 0.00 C ATOM 883 NH1 ARG A 61 6.056 15.386 -3.189 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.830 17.332 -3.113 1.00 0.00 N ATOM 0 H ARG A 61 1.492 14.820 2.143 1.00 0.00 H new ATOM 0 HA ARG A 61 3.220 12.696 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.544 15.594 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.974 14.588 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.560 12.915 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.655 14.360 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.675 14.325 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.692 13.666 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 61 3.914 16.391 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.292 14.476 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.520 15.708 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.127 17.916 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.292 17.656 -3.962 1.00 0.00 H new ATOM 898 N GLN A 62 3.927 15.093 4.468 1.00 0.00 N ATOM 899 CA GLN A 62 4.684 15.358 5.680 1.00 0.00 C ATOM 900 C GLN A 62 4.112 14.598 6.881 1.00 0.00 C ATOM 901 O GLN A 62 4.793 14.500 7.894 1.00 0.00 O ATOM 902 CB GLN A 62 4.834 16.861 5.914 1.00 0.00 C ATOM 903 CG GLN A 62 3.592 17.515 6.506 1.00 0.00 C ATOM 904 CD GLN A 62 3.628 19.019 6.259 1.00 0.00 C ATOM 905 OE1 GLN A 62 4.195 19.780 7.039 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.147 19.462 5.114 1.00 0.00 N ATOM 0 H GLN A 62 3.360 15.872 4.133 1.00 0.00 H new ATOM 0 HA GLN A 62 5.695 14.971 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.678 17.033 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.073 17.345 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.696 17.086 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.540 17.315 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.678 18.820 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.244 20.447 4.867 1.00 0.00 H new ATOM 915 N LYS A 63 2.899 14.032 6.805 1.00 0.00 N ATOM 916 CA LYS A 63 2.463 13.010 7.731 1.00 0.00 C ATOM 917 C LYS A 63 3.313 11.762 7.544 1.00 0.00 C ATOM 918 O LYS A 63 4.060 11.434 8.444 1.00 0.00 O ATOM 919 CB LYS A 63 0.978 12.689 7.542 1.00 0.00 C ATOM 920 CG LYS A 63 0.248 12.630 8.878 1.00 0.00 C ATOM 921 CD LYS A 63 -0.298 14.009 9.239 1.00 0.00 C ATOM 922 CE LYS A 63 -1.344 13.882 10.337 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.761 15.207 10.821 1.00 0.00 N ATOM 0 H LYS A 63 2.205 14.277 6.099 1.00 0.00 H new ATOM 0 HA LYS A 63 2.589 13.381 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.518 13.447 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.873 11.735 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.568 11.910 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.927 12.284 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.514 14.655 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.738 14.477 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.210 13.340 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.939 13.299 11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.475 15.095 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.936 15.713 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.168 15.752 10.034 1.00 0.00 H new ATOM 937 N ILE A 64 3.247 11.064 6.406 1.00 0.00 N ATOM 938 CA ILE A 64 3.962 9.837 6.084 1.00 0.00 C ATOM 939 C ILE A 64 5.467 10.005 6.356 1.00 0.00 C ATOM 940 O ILE A 64 6.081 9.078 6.887 1.00 0.00 O ATOM 941 CB ILE A 64 3.582 9.407 4.641 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.155 8.811 4.496 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.505 8.319 4.107 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.071 9.843 4.262 1.00 0.00 C ATOM 0 H ILE A 64 2.650 11.367 5.636 1.00 0.00 H new ATOM 0 HA ILE A 64 3.666 9.013 6.733 1.00 0.00 H new ATOM 0 HB ILE A 64 3.660 10.343 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.152 8.103 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.916 8.247 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.202 8.049 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.531 8.687 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.443 7.441 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.106 9.343 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.043 10.538 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.283 10.391 3.344 1.00 0.00 H new ATOM 956 N ALA A 65 6.027 11.193 6.106 1.00 0.00 N ATOM 957 CA ALA A 65 7.420 11.536 6.355 1.00 0.00 C ATOM 958 C ALA A 65 7.805 11.243 7.811 1.00 0.00 C ATOM 959 O ALA A 65 8.942 10.882 8.118 1.00 0.00 O ATOM 960 CB ALA A 65 7.615 13.026 6.037 1.00 0.00 C ATOM 0 H ALA A 65 5.496 11.968 5.709 1.00 0.00 H new ATOM 0 HA ALA A 65 8.065 10.930 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.654 13.304 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.366 13.211 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.964 13.623 6.676 1.00 0.00 H new ATOM 966 N LEU A 66 6.857 11.465 8.717 1.00 0.00 N ATOM 967 CA LEU A 66 6.956 11.310 10.152 1.00 0.00 C ATOM 968 C LEU A 66 6.309 10.000 10.590 1.00 0.00 C ATOM 969 O LEU A 66 6.968 9.136 11.154 1.00 0.00 O ATOM 970 CB LEU A 66 6.320 12.536 10.825 1.00 0.00 C ATOM 971 CG LEU A 66 6.903 13.871 10.312 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.043 15.028 10.796 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.366 14.063 10.708 1.00 0.00 C ATOM 0 H LEU A 66 5.929 11.783 8.437 1.00 0.00 H new ATOM 0 HA LEU A 66 8.000 11.257 10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.244 12.524 10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.468 12.471 11.903 1.00 0.00 H new ATOM 0 HG LEU A 66 6.886 13.845 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.458 15.967 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.027 14.909 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.026 15.038 11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.725 15.017 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.453 14.055 11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.965 13.254 10.290 1.00 0.00 H new ATOM 985 N THR A 67 4.999 9.848 10.388 1.00 0.00 N ATOM 986 CA THR A 67 4.189 8.772 10.935 1.00 0.00 C ATOM 987 C THR A 67 4.550 7.413 10.318 1.00 0.00 C ATOM 988 O THR A 67 4.284 6.370 10.927 1.00 0.00 O ATOM 989 CB THR A 67 2.709 9.177 10.761 1.00 0.00 C ATOM 990 OG1 THR A 67 2.352 10.053 11.812 1.00 0.00 O ATOM 991 CG2 THR A 67 1.724 8.013 10.761 1.00 0.00 C ATOM 0 H THR A 67 4.459 10.498 9.817 1.00 0.00 H new ATOM 0 HA THR A 67 4.387 8.632 11.998 1.00 0.00 H new ATOM 0 HB THR A 67 2.640 9.643 9.778 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.414 10.319 11.712 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.711 8.394 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.962 7.335 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.794 7.477 11.708 1.00 0.00 H new ATOM 999 N HIS A 68 5.211 7.394 9.161 1.00 0.00 N ATOM 1000 CA HIS A 68 5.693 6.175 8.533 1.00 0.00 C ATOM 1001 C HIS A 68 7.212 6.204 8.389 1.00 0.00 C ATOM 1002 O HIS A 68 7.758 5.513 7.533 1.00 0.00 O ATOM 1003 CB HIS A 68 4.949 5.909 7.226 1.00 0.00 C ATOM 1004 CG HIS A 68 3.491 5.589 7.418 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.453 6.478 7.403 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 2.966 4.344 7.680 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.280 5.763 7.623 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 1.636 4.483 7.798 1.00 0.00 N flip ATOM 0 H HIS A 68 5.427 8.238 8.631 1.00 0.00 H new ATOM 0 HA HIS A 68 5.473 5.324 9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.039 6.784 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.429 5.080 6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.523 3.423 7.774 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.277 6.162 7.648 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.987 3.721 7.994 1.00 0.00 H new ATOM 1016 N LYS A 69 7.930 6.958 9.230 1.00 0.00 N ATOM 1017 CA LYS A 69 9.385 7.023 9.132 1.00 0.00 C ATOM 1018 C LYS A 69 10.068 5.673 9.315 1.00 0.00 C ATOM 1019 O LYS A 69 11.143 5.461 8.760 1.00 0.00 O ATOM 1020 CB LYS A 69 9.941 8.051 10.108 1.00 0.00 C ATOM 1021 CG LYS A 69 9.909 7.570 11.569 1.00 0.00 C ATOM 1022 CD LYS A 69 10.428 8.616 12.548 1.00 0.00 C ATOM 1023 CE LYS A 69 9.378 9.705 12.765 1.00 0.00 C ATOM 1024 NZ LYS A 69 9.680 10.575 13.915 1.00 0.00 N ATOM 0 H LYS A 69 7.528 7.525 9.977 1.00 0.00 H new ATOM 0 HA LYS A 69 9.611 7.337 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.968 8.288 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.367 8.973 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.886 7.305 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.508 6.664 11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.674 8.144 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.347 9.059 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.304 10.315 11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.404 9.238 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.934 11.293 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.724 10.002 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.595 11.045 13.764 1.00 0.00 H new ATOM 1038 N ASN A 70 9.451 4.743 10.047 1.00 0.00 N ATOM 1039 CA ASN A 70 10.018 3.407 10.190 1.00 0.00 C ATOM 1040 C ASN A 70 10.001 2.665 8.849 1.00 0.00 C ATOM 1041 O ASN A 70 10.796 1.758 8.627 1.00 0.00 O ATOM 1042 CB ASN A 70 9.238 2.612 11.240 1.00 0.00 C ATOM 1043 CG ASN A 70 10.166 1.714 12.049 1.00 0.00 C ATOM 1044 OD1 ASN A 70 10.835 0.831 11.525 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.253 1.945 13.344 1.00 0.00 N ATOM 0 H ASN A 70 8.571 4.890 10.542 1.00 0.00 H new ATOM 0 HA ASN A 70 11.053 3.506 10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.718 3.298 11.908 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.476 2.006 10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.882 1.386 13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.691 2.683 13.769 1.00 0.00 H new ATOM 1052 N LYS A 71 9.082 3.059 7.959 1.00 0.00 N ATOM 1053 CA LYS A 71 8.941 2.590 6.589 1.00 0.00 C ATOM 1054 C LYS A 71 9.778 3.413 5.623 1.00 0.00 C ATOM 1055 O LYS A 71 9.828 3.084 4.444 1.00 0.00 O ATOM 1056 CB LYS A 71 7.464 2.622 6.140 1.00 0.00 C ATOM 1057 CG LYS A 71 6.413 2.221 7.188 1.00 0.00 C ATOM 1058 CD LYS A 71 6.439 0.736 7.556 1.00 0.00 C ATOM 1059 CE LYS A 71 5.605 -0.075 6.560 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.600 -1.508 6.899 1.00 0.00 N ATOM 0 H LYS A 71 8.377 3.757 8.198 1.00 0.00 H new ATOM 0 HA LYS A 71 9.301 1.561 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.235 3.631 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.356 1.961 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.570 2.812 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.422 2.474 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.467 0.374 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.049 0.598 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.582 0.301 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.004 0.060 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.026 -2.027 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.574 -1.872 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.196 -1.639 7.848 1.00 0.00 H new ATOM 1074 N ILE A 72 10.412 4.497 6.063 1.00 0.00 N ATOM 1075 CA ILE A 72 11.393 5.181 5.243 1.00 0.00 C ATOM 1076 C ILE A 72 12.686 4.397 5.390 1.00 0.00 C ATOM 1077 O ILE A 72 12.990 3.911 6.483 1.00 0.00 O ATOM 1078 CB ILE A 72 11.536 6.648 5.681 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.208 7.384 5.420 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.703 7.421 5.046 1.00 0.00 C ATOM 1081 CD1 ILE A 72 10.180 8.811 5.969 1.00 0.00 C ATOM 0 H ILE A 72 10.261 4.915 6.981 1.00 0.00 H new ATOM 0 HA ILE A 72 11.097 5.218 4.195 1.00 0.00 H new ATOM 0 HB ILE A 72 11.776 6.615 6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.024 7.413 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.393 6.815 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.711 8.443 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.644 6.933 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.583 7.436 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.215 9.267 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.333 8.789 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.973 9.396 5.503 1.00 0.00 H new ATOM 1093 N ASN A 73 13.462 4.348 4.310 1.00 0.00 N ATOM 1094 CA ASN A 73 14.848 3.903 4.337 1.00 0.00 C ATOM 1095 C ASN A 73 15.688 4.914 5.140 1.00 0.00 C ATOM 1096 O ASN A 73 15.710 4.909 6.369 1.00 0.00 O ATOM 1097 CB ASN A 73 15.369 3.624 2.897 1.00 0.00 C ATOM 1098 CG ASN A 73 15.340 4.785 1.890 1.00 0.00 C ATOM 1099 OD1 ASN A 73 14.801 5.859 2.143 1.00 0.00 O ATOM 1100 ND2 ASN A 73 16.013 4.660 0.764 1.00 0.00 N ATOM 0 H ASN A 73 13.140 4.620 3.381 1.00 0.00 H new ATOM 0 HA ASN A 73 14.936 2.947 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.398 3.273 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.783 2.804 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.080 5.448 0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.467 3.775 0.537 1.00 0.00 H new ATOM 1107 N LYS A 74 16.339 5.834 4.441 1.00 0.00 N ATOM 1108 CA LYS A 74 17.241 6.870 4.903 1.00 0.00 C ATOM 1109 C LYS A 74 17.112 8.037 3.933 1.00 0.00 C ATOM 1110 O LYS A 74 16.972 9.178 4.369 1.00 0.00 O ATOM 1111 CB LYS A 74 18.671 6.304 4.905 1.00 0.00 C ATOM 1112 CG LYS A 74 19.753 7.359 5.173 1.00 0.00 C ATOM 1113 CD LYS A 74 19.705 8.001 6.562 1.00 0.00 C ATOM 1114 CE LYS A 74 20.058 6.982 7.649 1.00 0.00 C ATOM 1115 NZ LYS A 74 20.000 7.582 8.994 1.00 0.00 N ATOM 0 H LYS A 74 16.233 5.873 3.427 1.00 0.00 H new ATOM 0 HA LYS A 74 17.005 7.205 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.742 5.523 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.867 5.832 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.731 6.897 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.665 8.145 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.401 8.839 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.709 8.404 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.369 6.139 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.058 6.588 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.245 6.864 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.675 8.371 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.039 7.935 9.175 1.00 0.00 H new ATOM 1129 N ALA A 75 17.078 7.736 2.631 1.00 0.00 N ATOM 1130 CA ALA A 75 16.953 8.684 1.540 1.00 0.00 C ATOM 1131 C ALA A 75 15.584 9.369 1.469 1.00 0.00 C ATOM 1132 O ALA A 75 15.309 10.017 0.457 1.00 0.00 O ATOM 1133 CB ALA A 75 17.220 7.941 0.226 1.00 0.00 C ATOM 0 H ALA A 75 17.141 6.773 2.302 1.00 0.00 H new ATOM 0 HA ALA A 75 17.680 9.478 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.131 8.636 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.226 7.521 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.493 7.137 0.108 1.00 0.00 H new ATOM 1139 N GLY A 76 14.683 9.191 2.449 1.00 0.00 N ATOM 1140 CA GLY A 76 13.373 9.807 2.352 1.00 0.00 C ATOM 1141 C GLY A 76 12.491 9.078 1.343 1.00 0.00 C ATOM 1142 O GLY A 76 11.446 9.615 0.961 1.00 0.00 O ATOM 0 H GLY A 76 14.841 8.639 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.892 9.800 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.481 10.851 2.057 1.00 0.00 H new ATOM 1146 N GLU A 77 12.892 7.880 0.909 1.00 0.00 N ATOM 1147 CA GLU A 77 12.023 6.982 0.188 1.00 0.00 C ATOM 1148 C GLU A 77 11.268 6.160 1.210 1.00 0.00 C ATOM 1149 O GLU A 77 11.853 5.662 2.169 1.00 0.00 O ATOM 1150 CB GLU A 77 12.800 6.057 -0.740 1.00 0.00 C ATOM 1151 CG GLU A 77 13.633 6.818 -1.766 1.00 0.00 C ATOM 1152 CD GLU A 77 14.222 5.825 -2.753 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.568 5.508 -3.769 1.00 0.00 O ATOM 1154 OE2 GLU A 77 15.331 5.310 -2.462 1.00 0.00 O ATOM 0 H GLU A 77 13.834 7.516 1.055 1.00 0.00 H new ATOM 0 HA GLU A 77 11.346 7.565 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.455 5.420 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.102 5.400 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.014 7.547 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.429 7.373 -1.269 1.00 0.00 H new ATOM 1161 N LEU A 78 9.970 6.029 0.995 1.00 0.00 N ATOM 1162 CA LEU A 78 9.086 5.172 1.741 1.00 0.00 C ATOM 1163 C LEU A 78 9.156 3.835 1.036 1.00 0.00 C ATOM 1164 O LEU A 78 8.836 3.784 -0.153 1.00 0.00 O ATOM 1165 CB LEU A 78 7.675 5.774 1.659 1.00 0.00 C ATOM 1166 CG LEU A 78 6.711 5.127 2.662 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.957 5.752 4.032 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.263 5.384 2.247 1.00 0.00 C ATOM 0 H LEU A 78 9.488 6.545 0.259 1.00 0.00 H new ATOM 0 HA LEU A 78 9.348 5.067 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.728 6.846 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.285 5.647 0.649 1.00 0.00 H new ATOM 0 HG LEU A 78 6.881 4.051 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.281 5.306 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.988 5.571 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.777 6.826 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.590 4.919 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.078 6.458 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.087 4.959 1.259 1.00 0.00 H new ATOM 1180 N VAL A 79 9.664 2.802 1.694 1.00 0.00 N ATOM 1181 CA VAL A 79 9.767 1.463 1.159 1.00 0.00 C ATOM 1182 C VAL A 79 9.126 0.461 2.108 1.00 0.00 C ATOM 1183 O VAL A 79 9.669 0.141 3.170 1.00 0.00 O ATOM 1184 CB VAL A 79 11.192 1.163 0.677 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.325 1.664 1.564 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.377 -0.314 0.304 1.00 0.00 C ATOM 0 H VAL A 79 10.026 2.882 2.644 1.00 0.00 H new ATOM 0 HA VAL A 79 9.180 1.366 0.246 1.00 0.00 H new ATOM 0 HB VAL A 79 11.282 1.768 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.282 1.392 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.263 2.748 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.242 1.210 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.401 -0.479 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.176 -0.937 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.686 -0.576 -0.497 1.00 0.00 H new ATOM 1196 N LEU A 80 7.958 -0.041 1.718 1.00 0.00 N ATOM 1197 CA LEU A 80 7.239 -1.083 2.430 1.00 0.00 C ATOM 1198 C LEU A 80 7.168 -2.328 1.551 1.00 0.00 C ATOM 1199 O LEU A 80 7.351 -2.266 0.330 1.00 0.00 O ATOM 1200 CB LEU A 80 5.880 -0.557 2.948 1.00 0.00 C ATOM 1201 CG LEU A 80 4.661 -0.543 2.003 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.545 0.273 2.666 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.899 0.128 0.653 1.00 0.00 C ATOM 0 H LEU A 80 7.477 0.276 0.877 1.00 0.00 H new ATOM 0 HA LEU A 80 7.771 -1.381 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.610 -1.152 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.036 0.464 3.295 1.00 0.00 H new ATOM 0 HG LEU A 80 4.423 -1.592 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.673 0.295 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.274 -0.186 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.893 1.291 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.985 0.088 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.185 1.168 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.698 -0.392 0.124 1.00 0.00 H new ATOM 1215 N THR A 81 6.913 -3.467 2.179 1.00 0.00 N ATOM 1216 CA THR A 81 6.735 -4.746 1.518 1.00 0.00 C ATOM 1217 C THR A 81 5.424 -5.298 2.091 1.00 0.00 C ATOM 1218 O THR A 81 5.126 -5.063 3.269 1.00 0.00 O ATOM 1219 CB THR A 81 7.981 -5.647 1.745 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.018 -6.178 3.049 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.344 -4.989 1.578 1.00 0.00 C ATOM 0 H THR A 81 6.822 -3.525 3.193 1.00 0.00 H new ATOM 0 HA THR A 81 6.658 -4.681 0.433 1.00 0.00 H new ATOM 0 HB THR A 81 7.841 -6.390 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.815 -6.740 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.128 -5.724 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.440 -4.604 0.563 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.441 -4.168 2.288 1.00 0.00 H new ATOM 1229 N SER A 82 4.606 -5.986 1.298 1.00 0.00 N ATOM 1230 CA SER A 82 3.514 -6.794 1.824 1.00 0.00 C ATOM 1231 C SER A 82 3.388 -8.064 0.977 1.00 0.00 C ATOM 1232 O SER A 82 3.741 -8.057 -0.204 1.00 0.00 O ATOM 1233 CB SER A 82 2.246 -5.940 1.908 1.00 0.00 C ATOM 1234 OG SER A 82 1.696 -6.039 3.208 1.00 0.00 O ATOM 0 H SER A 82 4.682 -5.998 0.281 1.00 0.00 H new ATOM 0 HA SER A 82 3.705 -7.130 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.479 -4.900 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.519 -6.275 1.168 1.00 0.00 H new ATOM 0 HG SER A 82 1.251 -6.906 3.310 1.00 0.00 H new ATOM 1240 N GLU A 83 3.043 -9.187 1.603 1.00 0.00 N ATOM 1241 CA GLU A 83 3.333 -10.521 1.108 1.00 0.00 C ATOM 1242 C GLU A 83 2.361 -11.487 1.784 1.00 0.00 C ATOM 1243 O GLU A 83 2.221 -11.435 3.014 1.00 0.00 O ATOM 1244 CB GLU A 83 4.790 -10.811 1.496 1.00 0.00 C ATOM 1245 CG GLU A 83 5.523 -11.735 0.538 1.00 0.00 C ATOM 1246 CD GLU A 83 5.507 -13.154 1.078 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.454 -13.816 0.975 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.530 -13.482 1.721 1.00 0.00 O ATOM 0 H GLU A 83 2.541 -9.189 2.491 1.00 0.00 H new ATOM 0 HA GLU A 83 3.215 -10.623 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.332 -9.867 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.807 -11.253 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.051 -11.705 -0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.551 -11.397 0.408 1.00 0.00 H new ATOM 1255 N SER A 84 1.629 -12.283 1.004 1.00 0.00 N ATOM 1256 CA SER A 84 0.486 -13.055 1.487 1.00 0.00 C ATOM 1257 C SER A 84 0.021 -14.067 0.431 1.00 0.00 C ATOM 1258 O SER A 84 -0.137 -15.266 0.708 1.00 0.00 O ATOM 1259 CB SER A 84 -0.639 -12.067 1.851 1.00 0.00 C ATOM 1260 OG SER A 84 -0.807 -11.093 0.833 1.00 0.00 O ATOM 0 H SER A 84 1.816 -12.411 0.009 1.00 0.00 H new ATOM 0 HA SER A 84 0.769 -13.630 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.572 -12.611 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.405 -11.575 2.795 1.00 0.00 H new ATOM 0 HG SER A 84 -0.818 -10.199 1.234 1.00 0.00 H new ATOM 1266 N SER A 85 -0.226 -13.584 -0.786 1.00 0.00 N ATOM 1267 CA SER A 85 -0.641 -14.354 -1.930 1.00 0.00 C ATOM 1268 C SER A 85 0.585 -14.874 -2.680 1.00 0.00 C ATOM 1269 O SER A 85 1.706 -14.405 -2.505 1.00 0.00 O ATOM 1270 CB SER A 85 -1.539 -13.449 -2.783 1.00 0.00 C ATOM 1271 OG SER A 85 -2.843 -13.985 -2.839 1.00 0.00 O ATOM 0 H SER A 85 -0.133 -12.591 -0.999 1.00 0.00 H new ATOM 0 HA SER A 85 -1.210 -15.239 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.567 -12.445 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.129 -13.359 -3.789 1.00 0.00 H new ATOM 0 HG SER A 85 -3.026 -14.307 -3.746 1.00 0.00 H new ATOM 1277 N ARG A 86 0.380 -15.845 -3.569 1.00 0.00 N ATOM 1278 CA ARG A 86 1.430 -16.305 -4.487 1.00 0.00 C ATOM 1279 C ARG A 86 1.526 -15.407 -5.725 1.00 0.00 C ATOM 1280 O ARG A 86 2.401 -15.634 -6.560 1.00 0.00 O ATOM 1281 CB ARG A 86 1.175 -17.786 -4.839 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.133 -18.016 -5.623 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.949 -19.221 -5.131 1.00 0.00 C ATOM 1284 NE ARG A 86 -0.760 -20.448 -5.925 1.00 0.00 N ATOM 1285 CZ ARG A 86 0.070 -21.469 -5.683 1.00 0.00 C ATOM 1286 NH1 ARG A 86 1.002 -21.366 -4.746 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -0.039 -22.593 -6.380 1.00 0.00 N ATOM 0 H ARG A 86 -0.509 -16.333 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 86 2.402 -16.233 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.013 -18.161 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.145 -18.370 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.749 -17.120 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.107 -18.158 -6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.680 -19.428 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.006 -18.956 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.334 -20.529 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.089 -20.505 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.632 -22.147 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.756 -22.679 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.594 -23.371 -6.195 1.00 0.00 H new ATOM 1301 N TYR A 87 0.637 -14.431 -5.887 1.00 0.00 N ATOM 1302 CA TYR A 87 0.515 -13.621 -7.092 1.00 0.00 C ATOM 1303 C TYR A 87 1.246 -12.289 -6.921 1.00 0.00 C ATOM 1304 O TYR A 87 0.936 -11.543 -5.991 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.965 -13.337 -7.354 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.923 -14.470 -7.060 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.888 -15.679 -7.780 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.795 -14.331 -5.970 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.682 -16.764 -7.364 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.573 -15.406 -5.535 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.498 -16.638 -6.218 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.130 -17.724 -5.712 1.00 0.00 O ATOM 0 H TYR A 87 -0.036 -14.176 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 87 0.956 -14.166 -7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.260 -12.475 -6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.080 -13.054 -8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.254 -15.774 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.866 -13.381 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.667 -17.690 -7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.227 -15.295 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.649 -17.462 -4.923 1.00 0.00 H new ATOM 1322 N GLN A 88 2.136 -11.956 -7.858 1.00 0.00 N ATOM 1323 CA GLN A 88 2.924 -10.725 -7.840 1.00 0.00 C ATOM 1324 C GLN A 88 2.038 -9.477 -7.696 1.00 0.00 C ATOM 1325 O GLN A 88 2.134 -8.759 -6.704 1.00 0.00 O ATOM 1326 CB GLN A 88 3.855 -10.692 -9.079 1.00 0.00 C ATOM 1327 CG GLN A 88 3.130 -10.509 -10.431 1.00 0.00 C ATOM 1328 CD GLN A 88 3.803 -11.205 -11.607 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.950 -10.950 -11.954 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.086 -12.098 -12.278 1.00 0.00 N ATOM 0 H GLN A 88 2.332 -12.547 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 88 3.559 -10.714 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.572 -9.881 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.426 -11.620 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.111 -10.885 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.057 -9.443 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.131 -12.308 -11.987 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.490 -12.574 -13.085 1.00 0.00 H new ATOM 1339 N PHE A 89 1.128 -9.237 -8.650 1.00 0.00 N ATOM 1340 CA PHE A 89 0.277 -8.052 -8.690 1.00 0.00 C ATOM 1341 C PHE A 89 -0.615 -7.984 -7.443 1.00 0.00 C ATOM 1342 O PHE A 89 -0.904 -6.895 -6.968 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.536 -8.000 -10.002 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.941 -7.445 -9.844 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.147 -6.070 -9.602 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.032 -8.334 -9.798 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.436 -5.607 -9.282 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.318 -7.867 -9.481 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.517 -6.503 -9.211 1.00 0.00 C ATOM 0 H PHE A 89 0.964 -9.876 -9.428 1.00 0.00 H new ATOM 0 HA PHE A 89 0.911 -7.165 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.004 -7.390 -10.726 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.600 -9.006 -10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.320 -5.378 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.879 -9.382 -10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.596 -4.556 -9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.151 -8.554 -9.445 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.501 -6.142 -8.949 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.057 -9.117 -6.892 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.991 -9.126 -5.766 1.00 0.00 C ATOM 1361 C ARG A 90 -1.289 -8.700 -4.475 1.00 0.00 C ATOM 1362 O ARG A 90 -1.885 -8.011 -3.653 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.585 -10.534 -5.656 1.00 0.00 C ATOM 1364 CG ARG A 90 -4.006 -10.614 -5.085 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.062 -10.513 -3.558 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.803 -9.320 -3.120 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.133 -9.166 -3.065 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.965 -10.119 -3.485 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.639 -8.039 -2.594 1.00 0.00 N ATOM 0 H ARG A 90 -0.780 -10.045 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.794 -8.408 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.586 -10.986 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.927 -11.138 -5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.607 -9.813 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.460 -11.555 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.536 -11.406 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.049 -10.480 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.242 -8.521 -2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.593 -10.992 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.973 -9.975 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.018 -7.295 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.650 -7.914 -2.549 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.032 -9.100 -4.301 1.00 0.00 N ATOM 1384 CA ASN A 91 0.793 -8.697 -3.164 1.00 0.00 C ATOM 1385 C ASN A 91 1.227 -7.246 -3.327 1.00 0.00 C ATOM 1386 O ASN A 91 1.151 -6.455 -2.391 1.00 0.00 O ATOM 1387 CB ASN A 91 2.016 -9.616 -3.095 1.00 0.00 C ATOM 1388 CG ASN A 91 1.695 -10.967 -2.490 1.00 0.00 C ATOM 1389 OD1 ASN A 91 0.571 -11.254 -2.099 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.674 -11.840 -2.411 1.00 0.00 N ATOM 0 H ASN A 91 0.448 -9.720 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 91 0.222 -8.781 -2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.417 -9.757 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.796 -9.134 -2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.501 -12.767 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.607 -11.591 -2.740 1.00 0.00 H new ATOM 1397 N LEU A 92 1.642 -6.884 -4.541 1.00 0.00 N ATOM 1398 CA LEU A 92 1.897 -5.518 -4.974 1.00 0.00 C ATOM 1399 C LEU A 92 0.680 -4.640 -4.636 1.00 0.00 C ATOM 1400 O LEU A 92 0.847 -3.557 -4.080 1.00 0.00 O ATOM 1401 CB LEU A 92 2.248 -5.583 -6.466 1.00 0.00 C ATOM 1402 CG LEU A 92 2.300 -4.236 -7.191 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.456 -3.405 -6.646 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.495 -4.501 -8.688 1.00 0.00 C ATOM 0 H LEU A 92 1.816 -7.567 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 92 2.735 -5.052 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.217 -6.070 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.516 -6.217 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 92 1.374 -3.684 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.491 -2.446 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.311 -3.236 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.394 -3.938 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.535 -3.552 -9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.427 -5.044 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.662 -5.095 -9.064 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.539 -5.117 -4.901 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.790 -4.432 -4.609 1.00 0.00 C ATOM 1418 C ALA A 93 -2.024 -4.237 -3.109 1.00 0.00 C ATOM 1419 O ALA A 93 -2.598 -3.211 -2.753 1.00 0.00 O ATOM 1420 CB ALA A 93 -2.972 -5.186 -5.227 1.00 0.00 C ATOM 0 H ALA A 93 -0.681 -6.026 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.713 -3.441 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.899 -4.660 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.843 -5.241 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.016 -6.194 -4.815 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.584 -5.158 -2.244 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.632 -4.999 -0.791 1.00 0.00 C ATOM 1428 C GLU A 94 -0.752 -3.817 -0.387 1.00 0.00 C ATOM 1429 O GLU A 94 -1.169 -2.956 0.383 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.147 -6.289 -0.108 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.565 -6.385 1.360 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.110 -7.713 1.971 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -1.719 -8.776 1.688 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -0.152 -7.715 2.781 1.00 0.00 O ATOM 0 H GLU A 94 -1.179 -6.046 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.657 -4.806 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.541 -7.149 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.060 -6.341 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.134 -5.555 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.648 -6.295 1.441 1.00 0.00 H new ATOM 1441 N CYS A 95 0.457 -3.735 -0.953 1.00 0.00 N ATOM 1442 CA CYS A 95 1.335 -2.584 -0.787 1.00 0.00 C ATOM 1443 C CYS A 95 0.588 -1.294 -1.148 1.00 0.00 C ATOM 1444 O CYS A 95 0.575 -0.356 -0.348 1.00 0.00 O ATOM 1445 CB CYS A 95 2.611 -2.779 -1.622 1.00 0.00 C ATOM 1446 SG CYS A 95 3.985 -3.282 -0.550 1.00 0.00 S ATOM 0 H CYS A 95 0.850 -4.470 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 95 1.638 -2.496 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.442 -3.535 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.862 -1.853 -2.138 1.00 0.00 H new ATOM 0 HG CYS A 95 4.652 -4.241 -1.121 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.058 -1.253 -2.321 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.803 -0.069 -2.759 1.00 0.00 C ATOM 1454 C LEU A 96 -2.005 0.203 -1.854 1.00 0.00 C ATOM 1455 O LEU A 96 -2.374 1.358 -1.654 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.301 -0.167 -4.207 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.301 -0.637 -5.274 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.920 -0.355 -6.647 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.108 -0.038 -5.176 1.00 0.00 C ATOM 0 H LEU A 96 -0.079 -2.028 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.089 0.753 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.153 -0.846 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.670 0.815 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.136 -1.702 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.233 -0.678 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.859 -0.900 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.109 0.714 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.730 -0.438 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.050 1.046 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.547 -0.296 -4.212 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.629 -0.842 -1.311 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.767 -0.717 -0.420 1.00 0.00 C ATOM 1473 C GLN A 97 -3.321 -0.005 0.849 1.00 0.00 C ATOM 1474 O GLN A 97 -4.039 0.874 1.322 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.363 -2.100 -0.109 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.768 -2.007 0.496 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.795 -1.519 -0.511 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.330 -0.338 -0.295 1.00 0.00 O flip ATOM 1479 NE2 GLN A 97 -7.139 -2.200 -1.476 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.350 -1.808 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.550 -0.129 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.403 -2.690 -1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.707 -2.629 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.066 -2.986 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.750 -1.331 1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.715 -3.115 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.848 -1.850 -2.121 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.127 -0.312 1.378 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.678 0.413 2.560 1.00 0.00 C ATOM 1490 C LYS A 98 -1.357 1.816 2.122 1.00 0.00 C ATOM 1491 O LYS A 98 -1.882 2.705 2.754 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.563 -0.213 3.409 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.624 -1.755 3.460 1.00 0.00 C ATOM 1494 CD LYS A 98 0.732 -2.424 3.206 1.00 0.00 C ATOM 1495 CE LYS A 98 1.149 -3.270 4.403 1.00 0.00 C ATOM 1496 NZ LYS A 98 1.236 -2.503 5.672 1.00 0.00 N ATOM 0 H LYS A 98 -1.487 -1.023 1.023 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.500 0.377 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.404 0.092 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.625 0.180 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.997 -2.065 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.340 -2.108 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.673 -3.050 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.488 -1.663 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.435 -4.084 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.118 -3.725 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.897 -2.978 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.577 -1.541 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.295 -2.453 6.113 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.626 2.053 1.028 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.371 3.400 0.521 1.00 0.00 C ATOM 1512 C ILE A 99 -1.638 4.270 0.528 1.00 0.00 C ATOM 1513 O ILE A 99 -1.561 5.421 0.962 1.00 0.00 O ATOM 1514 CB ILE A 99 0.334 3.278 -0.845 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.783 2.810 -0.591 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.284 4.561 -1.680 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.434 2.151 -1.809 1.00 0.00 C ATOM 0 H ILE A 99 -0.196 1.315 0.471 1.00 0.00 H new ATOM 0 HA ILE A 99 0.303 3.941 1.186 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.202 2.545 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.385 3.666 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.788 2.105 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.800 4.399 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.755 4.829 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.771 5.369 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.450 1.847 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.855 1.275 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.461 2.861 -2.636 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.790 3.728 0.124 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.081 4.403 0.143 1.00 0.00 C ATOM 1531 C ARG A 100 -4.508 4.701 1.577 1.00 0.00 C ATOM 1532 O ARG A 100 -4.906 5.831 1.867 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.120 3.506 -0.554 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.908 3.401 -2.073 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.618 2.200 -2.705 1.00 0.00 C ATOM 1536 NE ARG A 100 -7.082 2.321 -2.591 1.00 0.00 N ATOM 1537 CZ ARG A 100 -8.034 1.434 -2.908 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.720 0.208 -3.324 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -9.312 1.784 -2.782 1.00 0.00 N ATOM 0 H ARG A 100 -2.847 2.775 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.004 5.353 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.079 2.508 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.118 3.898 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.266 4.315 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.840 3.332 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.338 2.121 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.288 1.282 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.419 3.208 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.741 -0.068 -3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.458 -0.455 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.555 2.717 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.049 1.120 -3.019 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.459 3.705 2.461 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.904 3.823 3.847 1.00 0.00 C ATOM 1555 C ASP A 101 -3.985 4.716 4.685 1.00 0.00 C ATOM 1556 O ASP A 101 -4.457 5.461 5.540 1.00 0.00 O ATOM 1557 CB ASP A 101 -5.037 2.444 4.522 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.425 2.294 5.146 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.421 2.306 4.388 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.555 2.157 6.380 1.00 0.00 O ATOM 0 H ASP A 101 -4.103 2.778 2.229 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.886 4.294 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.873 1.655 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.271 2.331 5.289 1.00 0.00 H new ATOM 1565 N MET A 102 -2.674 4.664 4.442 1.00 0.00 N ATOM 1566 CA MET A 102 -1.624 5.499 5.001 1.00 0.00 C ATOM 1567 C MET A 102 -1.881 6.967 4.652 1.00 0.00 C ATOM 1568 O MET A 102 -1.522 7.857 5.417 1.00 0.00 O ATOM 1569 CB MET A 102 -0.279 5.074 4.390 1.00 0.00 C ATOM 1570 CG MET A 102 0.165 3.631 4.695 1.00 0.00 C ATOM 1571 SD MET A 102 1.383 3.015 3.506 1.00 0.00 S ATOM 1572 CE MET A 102 2.858 3.289 4.468 1.00 0.00 C ATOM 0 H MET A 102 -2.294 3.976 3.793 1.00 0.00 H new ATOM 0 HA MET A 102 -1.607 5.383 6.085 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.337 5.196 3.308 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.493 5.756 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.588 3.589 5.699 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.707 2.977 4.689 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.736 3.119 3.844 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.867 4.315 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.875 2.600 5.313 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.476 7.230 3.483 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.795 8.573 3.023 1.00 0.00 C ATOM 1584 C ILE A 103 -4.117 8.998 3.648 1.00 0.00 C ATOM 1585 O ILE A 103 -4.203 10.116 4.145 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.776 8.624 1.478 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.301 8.621 1.017 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.552 9.826 0.902 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.117 8.212 -0.447 1.00 0.00 C ATOM 0 H ILE A 103 -2.751 6.500 2.825 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.044 9.294 3.345 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.294 7.746 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.881 9.616 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.733 7.940 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.501 9.804 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.594 9.771 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.111 10.753 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.057 8.233 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.506 7.205 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.657 8.907 -1.090 1.00 0.00 H new ATOM 1601 N ALA A 104 -5.125 8.125 3.666 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.406 8.403 4.297 1.00 0.00 C ATOM 1603 C ALA A 104 -6.182 8.813 5.758 1.00 0.00 C ATOM 1604 O ALA A 104 -6.613 9.888 6.181 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.301 7.167 4.161 1.00 0.00 C ATOM 0 H ALA A 104 -5.070 7.200 3.239 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.910 9.236 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.265 7.362 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.451 6.941 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.825 6.317 4.650 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.397 8.017 6.490 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.143 8.220 7.914 1.00 0.00 C ATOM 1613 C GLU A 105 -4.280 9.447 8.196 1.00 0.00 C ATOM 1614 O GLU A 105 -4.122 9.847 9.351 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.544 6.957 8.549 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.022 6.798 8.375 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.429 5.703 9.265 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.488 5.855 10.510 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.922 4.676 8.743 1.00 0.00 O ATOM 0 H GLU A 105 -4.916 7.205 6.103 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.109 8.415 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.774 6.961 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.036 6.085 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.803 6.569 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.535 7.746 8.602 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.679 10.010 7.153 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.867 11.204 7.196 1.00 0.00 C ATOM 1628 C ALA A 106 -3.626 12.426 6.674 1.00 0.00 C ATOM 1629 O ALA A 106 -3.164 13.548 6.876 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.623 10.930 6.353 1.00 0.00 C ATOM 0 H ALA A 106 -3.753 9.621 6.213 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.595 11.435 8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.979 11.809 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.081 10.081 6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.920 10.704 5.329 1.00 0.00 H new ATOM 1636 N SER A 107 -4.762 12.209 6.010 1.00 0.00 N ATOM 1637 CA SER A 107 -5.568 13.227 5.350 1.00 0.00 C ATOM 1638 C SER A 107 -6.635 13.705 6.326 1.00 0.00 C ATOM 1639 O SER A 107 -6.775 14.913 6.538 1.00 0.00 O ATOM 1640 CB SER A 107 -6.147 12.616 4.061 1.00 0.00 C ATOM 1641 OG SER A 107 -6.985 13.487 3.320 1.00 0.00 O ATOM 0 H SER A 107 -5.160 11.275 5.916 1.00 0.00 H new ATOM 0 HA SER A 107 -4.983 14.101 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.322 12.297 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.714 11.722 4.321 1.00 0.00 H new ATOM 0 HG SER A 107 -7.309 13.026 2.518 1.00 0.00 H new