USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 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 85 SER OG : rot 134:sc= 0.0221 USER MOD Set 1.2: A 91 ASN : amide:sc= 2.28 K(o=2.3,f=-9.6!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -129:sc= 1.29 (180deg=-0.314) USER MOD Set 2.2: A 81 THR OG1 : rot 83:sc= 1.26 USER MOD Set 3.1: A 25 SER OG : rot -106:sc= 0.0714 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= 0.0724 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.2) USER MOD Single : A 52 SER OG : rot -42:sc= 0.45 USER MOD Single : A 62 GLN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -170:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.26 F(o=-0.96,f=-0.26) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.614 K(o=0.61,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -3.01! C(o=-3!,f=-3.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -112:sc= 0.876 USER MOD Single : A 84 SER OG : rot 21:sc= 1.02 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.24) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0863 USER MOD Single : A 97 GLN : amide:sc= 0.0504 K(o=0.05,f=-2.5!) USER MOD Single : A 98 LYS NZ :NH3+ -150:sc= -0.189 (180deg=-0.914) USER MOD Single : A 102 MET CE :methyl -172:sc= -2.74 (180deg=-3.04) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -5.775 5.373 -7.424 1.00 0.00 N ATOM 180 CA TYR A 16 -5.187 4.886 -8.666 1.00 0.00 C ATOM 181 C TYR A 16 -3.755 4.368 -8.522 1.00 0.00 C ATOM 182 O TYR A 16 -3.359 3.578 -9.377 1.00 0.00 O ATOM 183 CB TYR A 16 -5.239 6.002 -9.717 1.00 0.00 C ATOM 184 CG TYR A 16 -4.762 7.351 -9.217 1.00 0.00 C ATOM 185 CD1 TYR A 16 -3.386 7.653 -9.132 1.00 0.00 C ATOM 186 CD2 TYR A 16 -5.716 8.265 -8.735 1.00 0.00 C ATOM 187 CE1 TYR A 16 -2.961 8.844 -8.516 1.00 0.00 C ATOM 188 CE2 TYR A 16 -5.292 9.440 -8.101 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.916 9.733 -7.981 1.00 0.00 C ATOM 190 OH TYR A 16 -3.509 10.789 -7.233 1.00 0.00 O ATOM 0 HA TYR A 16 -5.781 4.026 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.630 5.708 -10.572 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.264 6.101 -10.074 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.658 6.968 -9.541 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.770 8.062 -8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.908 9.077 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.023 10.127 -7.701 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.290 11.304 -6.941 1.00 0.00 H new ATOM 200 N ILE A 17 -3.026 4.790 -7.479 1.00 0.00 N ATOM 201 CA ILE A 17 -1.631 4.487 -7.133 1.00 0.00 C ATOM 202 C ILE A 17 -0.766 4.206 -8.379 1.00 0.00 C ATOM 203 O ILE A 17 -0.705 3.081 -8.885 1.00 0.00 O ATOM 204 CB ILE A 17 -1.508 3.390 -6.047 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.413 3.610 -4.807 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.032 3.266 -5.622 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.407 5.020 -4.223 1.00 0.00 C ATOM 0 H ILE A 17 -3.441 5.415 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.222 5.391 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.863 2.463 -6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.437 3.354 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.105 2.913 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.063 2.495 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.574 2.996 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.313 4.219 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.073 5.060 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.395 5.281 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.748 5.728 -4.978 1.00 0.00 H new ATOM 219 N PRO A 18 -0.104 5.246 -8.899 1.00 0.00 N ATOM 220 CA PRO A 18 0.548 5.227 -10.196 1.00 0.00 C ATOM 221 C PRO A 18 1.786 4.342 -10.145 1.00 0.00 C ATOM 222 O PRO A 18 2.837 4.766 -9.667 1.00 0.00 O ATOM 223 CB PRO A 18 0.885 6.694 -10.481 1.00 0.00 C ATOM 224 CG PRO A 18 1.102 7.259 -9.081 1.00 0.00 C ATOM 225 CD PRO A 18 0.095 6.527 -8.241 1.00 0.00 C ATOM 0 HA PRO A 18 -0.076 4.811 -10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.776 6.793 -11.101 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.075 7.203 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.119 7.082 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.938 8.336 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.458 6.392 -7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.840 7.084 -8.175 1.00 0.00 H new ATOM 233 N LEU A 19 1.678 3.102 -10.629 1.00 0.00 N ATOM 234 CA LEU A 19 2.747 2.129 -10.464 1.00 0.00 C ATOM 235 C LEU A 19 4.055 2.648 -11.065 1.00 0.00 C ATOM 236 O LEU A 19 5.077 2.563 -10.394 1.00 0.00 O ATOM 237 CB LEU A 19 2.363 0.755 -11.038 1.00 0.00 C ATOM 238 CG LEU A 19 1.324 -0.008 -10.191 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.841 -1.266 -10.912 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.912 -0.465 -8.854 1.00 0.00 C ATOM 0 H LEU A 19 0.863 2.755 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 19 2.905 1.990 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.968 0.890 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.262 0.146 -11.128 1.00 0.00 H new ATOM 0 HG LEU A 19 0.501 0.688 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.110 -1.783 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.380 -0.988 -11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.688 -1.926 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.151 -0.999 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.759 -1.126 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.246 0.404 -8.287 1.00 0.00 H new ATOM 252 N ASP A 20 4.000 3.241 -12.263 1.00 0.00 N ATOM 253 CA ASP A 20 5.142 3.822 -12.992 1.00 0.00 C ATOM 254 C ASP A 20 5.792 5.023 -12.273 1.00 0.00 C ATOM 255 O ASP A 20 6.839 5.499 -12.712 1.00 0.00 O ATOM 256 CB ASP A 20 4.691 4.261 -14.409 1.00 0.00 C ATOM 257 CG ASP A 20 5.068 3.268 -15.502 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.233 3.266 -15.952 1.00 0.00 O ATOM 259 OD2 ASP A 20 4.173 2.494 -15.924 1.00 0.00 O ATOM 0 H ASP A 20 3.123 3.335 -12.776 1.00 0.00 H new ATOM 0 HA ASP A 20 5.898 3.039 -13.047 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.610 4.398 -14.411 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.136 5.229 -14.640 1.00 0.00 H new ATOM 264 N ARG A 21 5.190 5.600 -11.218 1.00 0.00 N ATOM 265 CA ARG A 21 5.869 6.629 -10.419 1.00 0.00 C ATOM 266 C ARG A 21 6.708 6.027 -9.300 1.00 0.00 C ATOM 267 O ARG A 21 7.568 6.727 -8.753 1.00 0.00 O ATOM 268 CB ARG A 21 4.820 7.560 -9.803 1.00 0.00 C ATOM 269 CG ARG A 21 4.384 8.667 -10.770 1.00 0.00 C ATOM 270 CD ARG A 21 4.884 10.007 -10.229 1.00 0.00 C ATOM 271 NE ARG A 21 4.527 11.138 -11.084 1.00 0.00 N ATOM 272 CZ ARG A 21 5.283 11.658 -12.049 1.00 0.00 C ATOM 273 NH1 ARG A 21 6.358 11.012 -12.491 1.00 0.00 N ATOM 274 NH2 ARG A 21 4.932 12.826 -12.569 1.00 0.00 N ATOM 0 H ARG A 21 4.247 5.373 -10.904 1.00 0.00 H new ATOM 0 HA ARG A 21 6.537 7.176 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.949 6.976 -9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.225 8.011 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.792 8.484 -11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.298 8.679 -10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.471 10.167 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.968 9.968 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 21 3.616 11.568 -10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.611 10.109 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.930 11.420 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.099 13.306 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.495 13.245 -13.309 1.00 0.00 H new ATOM 288 N LEU A 22 6.439 4.785 -8.901 1.00 0.00 N ATOM 289 CA LEU A 22 7.078 4.175 -7.741 1.00 0.00 C ATOM 290 C LEU A 22 8.056 3.120 -8.242 1.00 0.00 C ATOM 291 O LEU A 22 8.140 2.835 -9.434 1.00 0.00 O ATOM 292 CB LEU A 22 6.074 3.582 -6.728 1.00 0.00 C ATOM 293 CG LEU A 22 4.663 4.197 -6.625 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.830 3.526 -5.524 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.665 5.700 -6.341 1.00 0.00 C ATOM 0 H LEU A 22 5.772 4.175 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 22 7.605 4.952 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.955 2.524 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.531 3.640 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 22 4.224 4.024 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.843 3.987 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.726 2.463 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.329 3.651 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.638 6.061 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.171 5.891 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.187 6.221 -7.143 1.00 0.00 H new ATOM 307 N SER A 23 8.773 2.518 -7.308 1.00 0.00 N ATOM 308 CA SER A 23 9.919 1.672 -7.557 1.00 0.00 C ATOM 309 C SER A 23 9.597 0.305 -6.970 1.00 0.00 C ATOM 310 O SER A 23 9.796 0.066 -5.778 1.00 0.00 O ATOM 311 CB SER A 23 11.152 2.345 -6.942 1.00 0.00 C ATOM 312 OG SER A 23 11.312 3.645 -7.493 1.00 0.00 O ATOM 0 H SER A 23 8.560 2.612 -6.315 1.00 0.00 H new ATOM 0 HA SER A 23 10.140 1.533 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.041 2.409 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.041 1.745 -7.137 1.00 0.00 H new ATOM 0 HG SER A 23 12.099 4.073 -7.097 1.00 0.00 H new ATOM 318 N ILE A 24 8.982 -0.551 -7.780 1.00 0.00 N ATOM 319 CA ILE A 24 8.568 -1.887 -7.390 1.00 0.00 C ATOM 320 C ILE A 24 9.822 -2.758 -7.330 1.00 0.00 C ATOM 321 O ILE A 24 10.807 -2.534 -8.044 1.00 0.00 O ATOM 322 CB ILE A 24 7.522 -2.442 -8.393 1.00 0.00 C ATOM 323 CG1 ILE A 24 6.255 -1.560 -8.516 1.00 0.00 C ATOM 324 CG2 ILE A 24 7.047 -3.846 -7.992 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.382 -0.483 -9.592 1.00 0.00 C ATOM 0 H ILE A 24 8.754 -0.326 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 24 8.086 -1.879 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 24 8.045 -2.457 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.398 -2.194 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.055 -1.085 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.315 -4.203 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.899 -4.526 -7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.589 -3.807 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.463 0.103 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.220 0.172 -9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.553 -0.954 -10.560 1.00 0.00 H new ATOM 337 N SER A 25 9.752 -3.815 -6.530 1.00 0.00 N ATOM 338 CA SER A 25 10.684 -4.919 -6.630 1.00 0.00 C ATOM 339 C SER A 25 9.975 -6.184 -6.180 1.00 0.00 C ATOM 340 O SER A 25 9.549 -6.281 -5.030 1.00 0.00 O ATOM 341 CB SER A 25 11.942 -4.638 -5.799 1.00 0.00 C ATOM 342 OG SER A 25 12.899 -5.653 -6.044 1.00 0.00 O ATOM 0 H SER A 25 9.049 -3.926 -5.799 1.00 0.00 H new ATOM 0 HA SER A 25 11.014 -5.047 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.354 -3.663 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.692 -4.606 -4.739 1.00 0.00 H new ATOM 0 HG SER A 25 12.947 -6.251 -5.269 1.00 0.00 H new ATOM 348 N TYR A 26 9.873 -7.182 -7.056 1.00 0.00 N ATOM 349 CA TYR A 26 9.490 -8.505 -6.595 1.00 0.00 C ATOM 350 C TYR A 26 10.749 -9.205 -6.124 1.00 0.00 C ATOM 351 O TYR A 26 11.553 -9.720 -6.905 1.00 0.00 O ATOM 352 CB TYR A 26 8.726 -9.288 -7.667 1.00 0.00 C ATOM 353 CG TYR A 26 7.722 -8.425 -8.398 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.701 -7.742 -7.698 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.926 -8.183 -9.769 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.889 -6.830 -8.384 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.102 -7.284 -10.457 1.00 0.00 C ATOM 358 CZ TYR A 26 6.054 -6.628 -9.778 1.00 0.00 C ATOM 359 OH TYR A 26 5.236 -5.794 -10.480 1.00 0.00 O ATOM 0 H TYR A 26 10.045 -7.101 -8.058 1.00 0.00 H new ATOM 0 HA TYR A 26 8.789 -8.432 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.434 -9.705 -8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.210 -10.128 -7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.549 -7.922 -6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.721 -8.693 -10.293 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.132 -6.277 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.269 -7.093 -11.507 1.00 0.00 H new ATOM 0 HH TYR A 26 5.507 -5.786 -11.422 1.00 0.00 H new ATOM 369 N CYS A 27 10.914 -9.219 -4.811 1.00 0.00 N ATOM 370 CA CYS A 27 11.847 -10.081 -4.113 1.00 0.00 C ATOM 371 C CYS A 27 11.210 -11.482 -3.997 1.00 0.00 C ATOM 372 O CYS A 27 10.161 -11.737 -4.605 1.00 0.00 O ATOM 373 CB CYS A 27 12.172 -9.393 -2.783 1.00 0.00 C ATOM 374 SG CYS A 27 12.943 -7.776 -3.085 1.00 0.00 S ATOM 0 H CYS A 27 10.385 -8.612 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 27 12.794 -10.234 -4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.261 -9.266 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.843 -10.020 -2.195 1.00 0.00 H new ATOM 0 HG CYS A 27 13.211 -7.204 -1.949 1.00 0.00 H new ATOM 585 N LYS A 43 7.518 -11.997 -3.432 1.00 0.00 N ATOM 586 CA LYS A 43 7.363 -10.889 -2.518 1.00 0.00 C ATOM 587 C LYS A 43 6.964 -9.700 -3.376 1.00 0.00 C ATOM 588 O LYS A 43 7.294 -9.680 -4.561 1.00 0.00 O ATOM 589 CB LYS A 43 8.712 -10.699 -1.812 1.00 0.00 C ATOM 590 CG LYS A 43 8.648 -9.900 -0.522 1.00 0.00 C ATOM 591 CD LYS A 43 9.081 -8.448 -0.662 1.00 0.00 C ATOM 592 CE LYS A 43 10.227 -8.072 0.274 1.00 0.00 C ATOM 593 NZ LYS A 43 9.911 -8.223 1.711 1.00 0.00 N ATOM 0 HA LYS A 43 6.606 -11.035 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.134 -11.680 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.398 -10.202 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.627 -9.927 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.279 -10.385 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.386 -8.264 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.228 -7.800 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.093 -8.691 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.513 -7.038 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.152 -7.345 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.896 -8.420 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.463 -9.011 2.107 1.00 0.00 H new ATOM 607 N ALA A 44 6.318 -8.692 -2.801 1.00 0.00 N ATOM 608 CA ALA A 44 6.187 -7.403 -3.453 1.00 0.00 C ATOM 609 C ALA A 44 6.718 -6.378 -2.479 1.00 0.00 C ATOM 610 O ALA A 44 6.220 -6.268 -1.357 1.00 0.00 O ATOM 611 CB ALA A 44 4.743 -7.109 -3.845 1.00 0.00 C ATOM 0 H ALA A 44 5.877 -8.747 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 44 6.750 -7.384 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.689 -6.134 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.389 -7.877 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.117 -7.105 -2.953 1.00 0.00 H new ATOM 617 N GLU A 45 7.751 -5.671 -2.905 1.00 0.00 N ATOM 618 CA GLU A 45 8.196 -4.428 -2.321 1.00 0.00 C ATOM 619 C GLU A 45 7.763 -3.341 -3.297 1.00 0.00 C ATOM 620 O GLU A 45 7.684 -3.570 -4.509 1.00 0.00 O ATOM 621 CB GLU A 45 9.723 -4.491 -2.141 1.00 0.00 C ATOM 622 CG GLU A 45 10.361 -3.162 -1.724 1.00 0.00 C ATOM 623 CD GLU A 45 11.865 -3.310 -1.527 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.255 -4.007 -0.557 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.624 -2.734 -2.338 1.00 0.00 O ATOM 0 H GLU A 45 8.321 -5.963 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 45 7.772 -4.228 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.958 -5.246 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.175 -4.820 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.164 -2.407 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.903 -2.810 -0.799 1.00 0.00 H new ATOM 632 N VAL A 46 7.514 -2.154 -2.764 1.00 0.00 N ATOM 633 CA VAL A 46 7.526 -0.925 -3.521 1.00 0.00 C ATOM 634 C VAL A 46 8.163 0.152 -2.644 1.00 0.00 C ATOM 635 O VAL A 46 8.079 0.112 -1.410 1.00 0.00 O ATOM 636 CB VAL A 46 6.111 -0.601 -4.036 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.100 -0.296 -2.925 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.129 0.571 -5.015 1.00 0.00 C ATOM 0 H VAL A 46 7.295 -2.023 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 46 8.130 -1.000 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 46 5.785 -1.511 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.128 -0.078 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.013 -1.159 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.439 0.566 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.115 0.773 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.526 1.455 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.759 0.322 -5.869 1.00 0.00 H new ATOM 648 N ARG A 47 8.790 1.124 -3.297 1.00 0.00 N ATOM 649 CA ARG A 47 9.486 2.242 -2.696 1.00 0.00 C ATOM 650 C ARG A 47 9.134 3.489 -3.477 1.00 0.00 C ATOM 651 O ARG A 47 8.972 3.401 -4.689 1.00 0.00 O ATOM 652 CB ARG A 47 10.983 1.929 -2.734 1.00 0.00 C ATOM 653 CG ARG A 47 11.925 3.123 -2.603 1.00 0.00 C ATOM 654 CD ARG A 47 13.346 2.586 -2.373 1.00 0.00 C ATOM 655 NE ARG A 47 13.852 1.853 -3.547 1.00 0.00 N ATOM 656 CZ ARG A 47 14.121 2.399 -4.744 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.182 3.717 -4.890 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.298 1.623 -5.803 1.00 0.00 N ATOM 0 H ARG A 47 8.825 1.149 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 47 9.198 2.408 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.207 1.227 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.203 1.421 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.891 3.736 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.620 3.760 -1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.016 3.416 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.349 1.927 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 47 14.011 0.851 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.024 4.327 -4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.387 4.120 -5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.230 0.610 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.502 2.039 -6.712 1.00 0.00 H new ATOM 672 N PHE A 48 9.001 4.636 -2.825 1.00 0.00 N ATOM 673 CA PHE A 48 8.884 5.909 -3.524 1.00 0.00 C ATOM 674 C PHE A 48 9.484 7.019 -2.675 1.00 0.00 C ATOM 675 O PHE A 48 9.412 6.940 -1.445 1.00 0.00 O ATOM 676 CB PHE A 48 7.414 6.177 -3.851 1.00 0.00 C ATOM 677 CG PHE A 48 6.409 6.032 -2.714 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.812 4.783 -2.436 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.051 7.154 -1.945 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.839 4.667 -1.425 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.101 7.031 -0.916 1.00 0.00 C ATOM 682 CZ PHE A 48 4.468 5.800 -0.686 1.00 0.00 C ATOM 0 H PHE A 48 8.971 4.711 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 48 9.438 5.873 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.335 7.190 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.117 5.500 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.104 3.911 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.507 8.112 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.381 3.711 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.858 7.885 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.693 5.725 0.062 1.00 0.00 H new ATOM 692 N HIS A 49 10.035 8.076 -3.290 1.00 0.00 N ATOM 693 CA HIS A 49 10.361 9.291 -2.551 1.00 0.00 C ATOM 694 C HIS A 49 9.073 10.031 -2.214 1.00 0.00 C ATOM 695 O HIS A 49 8.447 10.672 -3.058 1.00 0.00 O ATOM 696 CB HIS A 49 11.404 10.191 -3.230 1.00 0.00 C ATOM 697 CG HIS A 49 11.813 11.296 -2.286 1.00 0.00 C ATOM 698 ND1 HIS A 49 11.841 12.641 -2.564 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.079 11.146 -0.954 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.068 13.283 -1.406 1.00 0.00 C ATOM 701 NE2 HIS A 49 12.168 12.414 -0.384 1.00 0.00 N ATOM 0 H HIS A 49 10.259 8.109 -4.284 1.00 0.00 H new ATOM 0 HA HIS A 49 10.856 8.988 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.276 9.602 -3.516 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.992 10.615 -4.145 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.199 10.207 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.158 14.355 -1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 49 12.285 12.637 0.604 1.00 0.00 H new ATOM 709 N LEU A 50 8.678 9.906 -0.951 1.00 0.00 N ATOM 710 CA LEU A 50 7.408 10.360 -0.425 1.00 0.00 C ATOM 711 C LEU A 50 7.327 11.879 -0.519 1.00 0.00 C ATOM 712 O LEU A 50 6.326 12.404 -1.002 1.00 0.00 O ATOM 713 CB LEU A 50 7.277 9.769 0.991 1.00 0.00 C ATOM 714 CG LEU A 50 6.310 10.450 1.965 1.00 0.00 C ATOM 715 CD1 LEU A 50 6.863 11.790 2.444 1.00 0.00 C ATOM 716 CD2 LEU A 50 4.885 10.545 1.412 1.00 0.00 C ATOM 0 H LEU A 50 9.263 9.466 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 50 6.549 10.012 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.973 8.727 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.267 9.770 1.447 1.00 0.00 H new ATOM 0 HG LEU A 50 6.229 9.812 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.155 12.250 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.814 11.630 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.015 12.448 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.243 11.036 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.891 11.124 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.505 9.543 1.210 1.00 0.00 H new ATOM 728 N ALA A 51 8.376 12.599 -0.113 1.00 0.00 N ATOM 729 CA ALA A 51 8.325 14.050 -0.112 1.00 0.00 C ATOM 730 C ALA A 51 8.294 14.624 -1.530 1.00 0.00 C ATOM 731 O ALA A 51 7.946 15.790 -1.672 1.00 0.00 O ATOM 732 CB ALA A 51 9.473 14.615 0.712 1.00 0.00 C ATOM 0 H ALA A 51 9.256 12.201 0.214 1.00 0.00 H new ATOM 0 HA ALA A 51 7.390 14.357 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.424 15.704 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.396 14.255 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.422 14.292 0.284 1.00 0.00 H new ATOM 738 N SER A 52 8.543 13.820 -2.569 1.00 0.00 N ATOM 739 CA SER A 52 8.384 14.195 -3.968 1.00 0.00 C ATOM 740 C SER A 52 7.188 13.473 -4.611 1.00 0.00 C ATOM 741 O SER A 52 7.129 13.450 -5.841 1.00 0.00 O ATOM 742 CB SER A 52 9.702 13.924 -4.707 1.00 0.00 C ATOM 743 OG SER A 52 9.709 14.522 -5.984 1.00 0.00 O ATOM 0 H SER A 52 8.871 12.861 -2.450 1.00 0.00 H new ATOM 0 HA SER A 52 8.160 15.259 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.536 14.308 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.851 12.849 -4.806 1.00 0.00 H new ATOM 0 HG SER A 52 8.840 14.383 -6.415 1.00 0.00 H new ATOM 749 N ALA A 53 6.277 12.855 -3.834 1.00 0.00 N ATOM 750 CA ALA A 53 5.272 11.963 -4.403 1.00 0.00 C ATOM 751 C ALA A 53 4.469 12.625 -5.517 1.00 0.00 C ATOM 752 O ALA A 53 4.368 12.025 -6.581 1.00 0.00 O ATOM 753 CB ALA A 53 4.355 11.361 -3.331 1.00 0.00 C ATOM 0 H ALA A 53 6.224 12.961 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 53 5.823 11.138 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.624 10.705 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.952 10.788 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.836 12.162 -2.805 1.00 0.00 H new ATOM 759 N ASP A 54 3.904 13.815 -5.282 1.00 0.00 N ATOM 760 CA ASP A 54 3.202 14.682 -6.242 1.00 0.00 C ATOM 761 C ASP A 54 1.733 14.262 -6.380 1.00 0.00 C ATOM 762 O ASP A 54 0.838 15.107 -6.424 1.00 0.00 O ATOM 763 CB ASP A 54 3.942 14.750 -7.590 1.00 0.00 C ATOM 764 CG ASP A 54 3.614 16.013 -8.361 1.00 0.00 C ATOM 765 OD1 ASP A 54 2.541 16.080 -9.000 1.00 0.00 O ATOM 766 OD2 ASP A 54 4.506 16.892 -8.408 1.00 0.00 O ATOM 0 H ASP A 54 3.926 14.229 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 54 3.202 15.700 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.017 14.702 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.678 13.880 -8.192 1.00 0.00 H new ATOM 771 N TRP A 55 1.456 12.955 -6.333 1.00 0.00 N ATOM 772 CA TRP A 55 0.105 12.392 -6.303 1.00 0.00 C ATOM 773 C TRP A 55 -0.450 12.260 -4.877 1.00 0.00 C ATOM 774 O TRP A 55 -1.625 11.922 -4.705 1.00 0.00 O ATOM 775 CB TRP A 55 0.087 11.046 -7.032 1.00 0.00 C ATOM 776 CG TRP A 55 1.115 10.062 -6.583 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.377 9.992 -7.048 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.017 9.050 -5.547 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.067 9.000 -6.386 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.295 8.440 -5.391 1.00 0.00 C ATOM 781 CE3 TRP A 55 -0.010 8.635 -4.681 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.552 7.511 -4.374 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.225 7.648 -3.710 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.510 7.106 -3.533 1.00 0.00 C ATOM 0 H TRP A 55 2.185 12.242 -6.314 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.554 13.088 -6.821 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.899 10.598 -6.908 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.223 11.227 -8.098 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.787 10.620 -7.825 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.023 8.717 -6.603 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.990 9.080 -4.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.546 7.111 -4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.590 7.302 -3.092 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.692 6.382 -2.753 1.00 0.00 H new ATOM 795 N ILE A 56 0.360 12.507 -3.848 1.00 0.00 N ATOM 796 CA ILE A 56 -0.092 12.681 -2.459 1.00 0.00 C ATOM 797 C ILE A 56 -0.492 14.158 -2.282 1.00 0.00 C ATOM 798 O ILE A 56 -0.322 14.963 -3.197 1.00 0.00 O ATOM 799 CB ILE A 56 1.004 12.115 -1.497 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.197 10.593 -1.771 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.672 12.290 -0.007 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.144 9.808 -0.834 1.00 0.00 C ATOM 0 H ILE A 56 1.371 12.594 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.985 12.110 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 56 1.909 12.687 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.217 10.118 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.565 10.480 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.478 11.873 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.560 13.350 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.258 11.770 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.180 8.764 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.145 10.237 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.776 9.869 0.190 1.00 0.00 H new ATOM 814 N GLU A 57 -1.080 14.502 -1.139 1.00 0.00 N ATOM 815 CA GLU A 57 -1.393 15.870 -0.739 1.00 0.00 C ATOM 816 C GLU A 57 -0.225 16.413 0.055 1.00 0.00 C ATOM 817 O GLU A 57 0.379 15.677 0.825 1.00 0.00 O ATOM 818 CB GLU A 57 -2.659 15.911 0.130 1.00 0.00 C ATOM 819 CG GLU A 57 -3.761 15.036 -0.407 1.00 0.00 C ATOM 820 CD GLU A 57 -5.179 15.408 0.044 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.361 16.253 0.947 1.00 0.00 O ATOM 822 OE2 GLU A 57 -6.116 14.792 -0.520 1.00 0.00 O ATOM 0 H GLU A 57 -1.361 13.812 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.570 16.472 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.410 15.594 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.016 16.939 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.726 15.065 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.562 14.007 -0.109 1.00 0.00 H new ATOM 829 N GLU A 58 0.025 17.712 -0.008 1.00 0.00 N ATOM 830 CA GLU A 58 1.034 18.361 0.813 1.00 0.00 C ATOM 831 C GLU A 58 0.946 18.052 2.316 1.00 0.00 C ATOM 832 O GLU A 58 1.986 17.780 2.931 1.00 0.00 O ATOM 833 CB GLU A 58 0.967 19.875 0.597 1.00 0.00 C ATOM 834 CG GLU A 58 2.368 20.467 0.718 1.00 0.00 C ATOM 835 CD GLU A 58 3.138 20.336 -0.595 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.970 19.302 -1.278 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.950 21.231 -0.914 1.00 0.00 O ATOM 0 H GLU A 58 -0.469 18.348 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 58 1.989 17.951 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.551 20.095 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.304 20.329 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.299 21.518 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.913 19.960 1.514 1.00 0.00 H new ATOM 844 N PRO A 59 -0.243 18.083 2.953 1.00 0.00 N ATOM 845 CA PRO A 59 -0.293 17.855 4.389 1.00 0.00 C ATOM 846 C PRO A 59 -0.113 16.369 4.696 1.00 0.00 C ATOM 847 O PRO A 59 0.398 15.995 5.752 1.00 0.00 O ATOM 848 CB PRO A 59 -1.664 18.388 4.817 1.00 0.00 C ATOM 849 CG PRO A 59 -2.556 18.187 3.590 1.00 0.00 C ATOM 850 CD PRO A 59 -1.592 18.255 2.403 1.00 0.00 C ATOM 0 HA PRO A 59 0.506 18.358 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.049 17.845 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.610 19.439 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.073 17.228 3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.322 18.960 3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.817 17.475 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.681 19.210 1.885 1.00 0.00 H new ATOM 858 N VAL A 60 -0.479 15.521 3.741 1.00 0.00 N ATOM 859 CA VAL A 60 -0.357 14.091 3.843 1.00 0.00 C ATOM 860 C VAL A 60 1.108 13.696 3.607 1.00 0.00 C ATOM 861 O VAL A 60 1.614 12.877 4.367 1.00 0.00 O ATOM 862 CB VAL A 60 -1.370 13.460 2.875 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.258 11.947 2.884 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.815 13.814 3.276 1.00 0.00 C ATOM 0 H VAL A 60 -0.878 15.829 2.854 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.601 13.712 4.836 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.144 13.854 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.985 11.524 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.253 11.655 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.455 11.574 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.510 13.354 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.015 13.442 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.943 14.896 3.257 1.00 0.00 H new ATOM 874 N ARG A 61 1.831 14.291 2.641 1.00 0.00 N ATOM 875 CA ARG A 61 3.228 13.964 2.337 1.00 0.00 C ATOM 876 C ARG A 61 4.015 13.977 3.641 1.00 0.00 C ATOM 877 O ARG A 61 4.542 12.956 4.077 1.00 0.00 O ATOM 878 CB ARG A 61 3.890 14.918 1.301 1.00 0.00 C ATOM 879 CG ARG A 61 3.535 14.684 -0.180 1.00 0.00 C ATOM 880 CD ARG A 61 4.598 15.225 -1.169 1.00 0.00 C ATOM 881 NE ARG A 61 4.422 16.626 -1.616 1.00 0.00 N ATOM 882 CZ ARG A 61 4.980 17.160 -2.723 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.905 16.499 -3.405 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.635 18.368 -3.144 1.00 0.00 N ATOM 0 H ARG A 61 1.451 15.024 2.042 1.00 0.00 H new ATOM 0 HA ARG A 61 3.240 12.978 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.618 15.942 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.972 14.839 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.406 13.615 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.577 15.159 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.578 15.135 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.605 14.583 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 61 3.835 17.233 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.204 15.574 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.318 16.915 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.939 18.908 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.066 18.758 -3.982 1.00 0.00 H new ATOM 898 N GLN A 62 4.030 15.125 4.307 1.00 0.00 N ATOM 899 CA GLN A 62 4.818 15.277 5.516 1.00 0.00 C ATOM 900 C GLN A 62 4.285 14.410 6.661 1.00 0.00 C ATOM 901 O GLN A 62 5.048 14.125 7.581 1.00 0.00 O ATOM 902 CB GLN A 62 4.897 16.753 5.898 1.00 0.00 C ATOM 903 CG GLN A 62 3.601 17.215 6.557 1.00 0.00 C ATOM 904 CD GLN A 62 3.479 18.724 6.547 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.764 19.374 7.552 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.075 19.296 5.426 1.00 0.00 N ATOM 0 H GLN A 62 3.508 15.957 4.030 1.00 0.00 H new ATOM 0 HA GLN A 62 5.829 14.920 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.733 16.912 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.092 17.353 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.750 16.777 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.565 16.853 7.585 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.848 18.722 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.990 20.311 5.373 1.00 0.00 H new ATOM 915 N LYS A 63 3.015 13.973 6.642 1.00 0.00 N ATOM 916 CA LYS A 63 2.580 12.986 7.603 1.00 0.00 C ATOM 917 C LYS A 63 3.400 11.724 7.449 1.00 0.00 C ATOM 918 O LYS A 63 4.124 11.407 8.369 1.00 0.00 O ATOM 919 CB LYS A 63 1.087 12.693 7.481 1.00 0.00 C ATOM 920 CG LYS A 63 0.374 12.938 8.806 1.00 0.00 C ATOM 921 CD LYS A 63 0.194 14.442 8.994 1.00 0.00 C ATOM 922 CE LYS A 63 -0.516 14.746 10.305 1.00 0.00 C ATOM 923 NZ LYS A 63 -0.956 16.148 10.298 1.00 0.00 N ATOM 0 H LYS A 63 2.300 14.286 5.985 1.00 0.00 H new ATOM 0 HA LYS A 63 2.739 13.391 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.651 13.324 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.940 11.659 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.594 12.438 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.953 12.521 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.167 14.933 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.380 14.850 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.372 14.084 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.153 14.566 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.443 16.364 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.129 16.771 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.608 16.303 9.503 1.00 0.00 H new ATOM 937 N ILE A 64 3.358 11.012 6.325 1.00 0.00 N ATOM 938 CA ILE A 64 4.081 9.779 6.072 1.00 0.00 C ATOM 939 C ILE A 64 5.589 9.963 6.349 1.00 0.00 C ATOM 940 O ILE A 64 6.222 9.016 6.822 1.00 0.00 O ATOM 941 CB ILE A 64 3.730 9.301 4.643 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.259 8.852 4.410 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.578 8.103 4.236 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.298 9.962 4.026 1.00 0.00 C ATOM 0 H ILE A 64 2.788 11.299 5.529 1.00 0.00 H new ATOM 0 HA ILE A 64 3.779 8.987 6.757 1.00 0.00 H new ATOM 0 HB ILE A 64 3.919 10.196 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.247 8.095 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.893 8.375 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.307 7.791 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.632 8.379 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.402 7.280 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.300 9.547 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.272 10.711 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.631 10.427 3.098 1.00 0.00 H new ATOM 956 N ALA A 65 6.149 11.166 6.154 1.00 0.00 N ATOM 957 CA ALA A 65 7.540 11.480 6.475 1.00 0.00 C ATOM 958 C ALA A 65 7.868 11.157 7.944 1.00 0.00 C ATOM 959 O ALA A 65 8.965 10.706 8.280 1.00 0.00 O ATOM 960 CB ALA A 65 7.804 12.965 6.167 1.00 0.00 C ATOM 0 H ALA A 65 5.637 11.956 5.763 1.00 0.00 H new ATOM 0 HA ALA A 65 8.192 10.859 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.840 13.207 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.619 13.156 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.140 13.585 6.769 1.00 0.00 H new ATOM 966 N LEU A 66 6.907 11.445 8.818 1.00 0.00 N ATOM 967 CA LEU A 66 6.954 11.330 10.262 1.00 0.00 C ATOM 968 C LEU A 66 6.239 10.056 10.726 1.00 0.00 C ATOM 969 O LEU A 66 6.853 9.180 11.329 1.00 0.00 O ATOM 970 CB LEU A 66 6.296 12.592 10.850 1.00 0.00 C ATOM 971 CG LEU A 66 6.921 13.932 10.406 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.046 15.095 10.879 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.361 14.071 10.901 1.00 0.00 C ATOM 0 H LEU A 66 6.002 11.794 8.501 1.00 0.00 H new ATOM 0 HA LEU A 66 7.985 11.255 10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.241 12.593 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.341 12.532 11.937 1.00 0.00 H new ATOM 0 HG LEU A 66 6.962 13.952 9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.492 16.038 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.050 15.001 10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.971 15.075 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.769 15.026 10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.377 14.028 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.965 13.259 10.496 1.00 0.00 H new ATOM 985 N THR A 67 4.944 9.936 10.427 1.00 0.00 N ATOM 986 CA THR A 67 4.022 8.898 10.869 1.00 0.00 C ATOM 987 C THR A 67 4.518 7.504 10.472 1.00 0.00 C ATOM 988 O THR A 67 4.278 6.536 11.195 1.00 0.00 O ATOM 989 CB THR A 67 2.650 9.217 10.238 1.00 0.00 C ATOM 990 OG1 THR A 67 2.069 10.388 10.783 1.00 0.00 O ATOM 991 CG2 THR A 67 1.606 8.124 10.429 1.00 0.00 C ATOM 0 H THR A 67 4.481 10.616 9.823 1.00 0.00 H new ATOM 0 HA THR A 67 3.946 8.888 11.956 1.00 0.00 H new ATOM 0 HB THR A 67 2.888 9.329 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.142 10.467 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.672 8.427 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.960 7.199 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.438 7.963 11.494 1.00 0.00 H new ATOM 999 N HIS A 68 5.212 7.394 9.336 1.00 0.00 N ATOM 1000 CA HIS A 68 5.764 6.144 8.834 1.00 0.00 C ATOM 1001 C HIS A 68 7.267 6.299 8.643 1.00 0.00 C ATOM 1002 O HIS A 68 7.854 5.694 7.744 1.00 0.00 O ATOM 1003 CB HIS A 68 5.064 5.723 7.542 1.00 0.00 C ATOM 1004 CG HIS A 68 3.587 5.501 7.676 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.614 6.362 7.262 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 2.965 4.384 8.180 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.384 5.756 7.468 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 1.644 4.574 8.049 1.00 0.00 N flip ATOM 0 H HIS A 68 5.407 8.191 8.731 1.00 0.00 H new ATOM 0 HA HIS A 68 5.590 5.350 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.236 6.488 6.785 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.525 4.805 7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.449 3.516 8.602 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.413 6.154 7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.932 3.909 8.351 1.00 0.00 H new ATOM 1016 N LYS A 69 7.920 7.096 9.490 1.00 0.00 N ATOM 1017 CA LYS A 69 9.374 7.244 9.444 1.00 0.00 C ATOM 1018 C LYS A 69 10.078 5.893 9.514 1.00 0.00 C ATOM 1019 O LYS A 69 11.068 5.655 8.837 1.00 0.00 O ATOM 1020 CB LYS A 69 9.813 8.136 10.608 1.00 0.00 C ATOM 1021 CG LYS A 69 11.340 8.263 10.694 1.00 0.00 C ATOM 1022 CD LYS A 69 11.890 9.076 9.504 1.00 0.00 C ATOM 1023 CE LYS A 69 12.099 10.549 9.862 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.450 10.802 10.413 1.00 0.00 N ATOM 0 H LYS A 69 7.464 7.649 10.216 1.00 0.00 H new ATOM 0 HA LYS A 69 9.653 7.702 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.373 9.126 10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.431 7.726 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.617 8.748 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.792 7.271 10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.836 8.645 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.199 9.002 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.950 11.162 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.348 10.855 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.548 11.812 10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.584 10.237 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.168 10.535 9.709 1.00 0.00 H new ATOM 1038 N ASN A 70 9.529 5.019 10.333 1.00 0.00 N ATOM 1039 CA ASN A 70 9.838 3.616 10.508 1.00 0.00 C ATOM 1040 C ASN A 70 9.835 2.798 9.214 1.00 0.00 C ATOM 1041 O ASN A 70 10.587 1.827 9.118 1.00 0.00 O ATOM 1042 CB ASN A 70 8.823 3.054 11.511 1.00 0.00 C ATOM 1043 CG ASN A 70 7.404 3.625 11.389 1.00 0.00 C ATOM 1044 OD1 ASN A 70 7.162 4.783 11.734 1.00 0.00 O ATOM 1045 ND2 ASN A 70 6.467 2.900 10.816 1.00 0.00 N ATOM 0 H ASN A 70 8.776 5.306 10.958 1.00 0.00 H new ATOM 0 HA ASN A 70 10.862 3.536 10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.775 1.972 11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.189 3.244 12.520 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.541 3.297 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.667 1.941 10.530 1.00 0.00 H new ATOM 1052 N LYS A 71 9.002 3.149 8.232 1.00 0.00 N ATOM 1053 CA LYS A 71 8.993 2.570 6.889 1.00 0.00 C ATOM 1054 C LYS A 71 9.878 3.356 5.926 1.00 0.00 C ATOM 1055 O LYS A 71 10.206 2.858 4.852 1.00 0.00 O ATOM 1056 CB LYS A 71 7.554 2.605 6.374 1.00 0.00 C ATOM 1057 CG LYS A 71 6.561 1.718 7.123 1.00 0.00 C ATOM 1058 CD LYS A 71 6.657 0.224 6.770 1.00 0.00 C ATOM 1059 CE LYS A 71 5.272 -0.388 6.482 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.293 -1.865 6.606 1.00 0.00 N ATOM 0 H LYS A 71 8.291 3.870 8.355 1.00 0.00 H new ATOM 0 HA LYS A 71 9.380 1.552 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.197 3.634 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.556 2.311 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.721 1.837 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.550 2.065 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.298 0.097 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.128 -0.314 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.539 0.026 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.953 -0.111 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.345 -2.244 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.975 -2.261 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.574 -2.128 7.572 1.00 0.00 H new ATOM 1074 N ILE A 72 10.241 4.595 6.243 1.00 0.00 N ATOM 1075 CA ILE A 72 11.232 5.316 5.461 1.00 0.00 C ATOM 1076 C ILE A 72 12.601 4.727 5.776 1.00 0.00 C ATOM 1077 O ILE A 72 12.958 4.526 6.936 1.00 0.00 O ATOM 1078 CB ILE A 72 11.114 6.824 5.742 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.958 7.357 4.875 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.413 7.616 5.505 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.540 8.786 5.187 1.00 0.00 C ATOM 0 H ILE A 72 9.864 5.117 7.034 1.00 0.00 H new ATOM 0 HA ILE A 72 11.070 5.203 4.389 1.00 0.00 H new ATOM 0 HB ILE A 72 10.914 6.965 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.251 7.298 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.095 6.704 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.242 8.670 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.198 7.231 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.720 7.509 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.721 9.077 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.213 8.851 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.386 9.455 5.031 1.00 0.00 H new ATOM 1093 N ASN A 73 13.405 4.543 4.730 1.00 0.00 N ATOM 1094 CA ASN A 73 14.778 4.073 4.884 1.00 0.00 C ATOM 1095 C ASN A 73 15.583 5.112 5.683 1.00 0.00 C ATOM 1096 O ASN A 73 15.983 4.850 6.819 1.00 0.00 O ATOM 1097 CB ASN A 73 15.410 3.685 3.530 1.00 0.00 C ATOM 1098 CG ASN A 73 15.898 4.851 2.695 1.00 0.00 C ATOM 1099 OD1 ASN A 73 17.063 5.229 2.735 1.00 0.00 O ATOM 1100 ND2 ASN A 73 14.997 5.561 2.044 1.00 0.00 N ATOM 0 H ASN A 73 13.126 4.713 3.764 1.00 0.00 H new ATOM 0 HA ASN A 73 14.788 3.147 5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.249 3.014 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.676 3.124 2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.270 6.424 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.027 5.247 2.010 1.00 0.00 H new ATOM 1107 N LYS A 74 15.778 6.312 5.125 1.00 0.00 N ATOM 1108 CA LYS A 74 16.648 7.400 5.583 1.00 0.00 C ATOM 1109 C LYS A 74 16.534 8.538 4.574 1.00 0.00 C ATOM 1110 O LYS A 74 16.294 9.670 4.971 1.00 0.00 O ATOM 1111 CB LYS A 74 18.113 6.927 5.667 1.00 0.00 C ATOM 1112 CG LYS A 74 19.139 7.971 6.129 1.00 0.00 C ATOM 1113 CD LYS A 74 18.892 8.524 7.536 1.00 0.00 C ATOM 1114 CE LYS A 74 20.197 9.132 8.065 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.982 9.944 9.278 1.00 0.00 N ATOM 0 H LYS A 74 15.289 6.568 4.268 1.00 0.00 H new ATOM 0 HA LYS A 74 16.343 7.727 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.160 6.077 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.413 6.565 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.133 7.524 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.139 8.800 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.106 9.279 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.550 7.729 8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.905 8.333 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.647 9.752 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.891 10.335 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.327 10.723 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.577 9.348 10.028 1.00 0.00 H new ATOM 1129 N ALA A 75 16.591 8.213 3.274 1.00 0.00 N ATOM 1130 CA ALA A 75 16.444 9.150 2.160 1.00 0.00 C ATOM 1131 C ALA A 75 15.058 9.787 2.079 1.00 0.00 C ATOM 1132 O ALA A 75 14.773 10.490 1.120 1.00 0.00 O ATOM 1133 CB ALA A 75 16.752 8.429 0.839 1.00 0.00 C ATOM 0 H ALA A 75 16.747 7.254 2.963 1.00 0.00 H new ATOM 0 HA ALA A 75 17.152 9.959 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.642 9.127 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.774 8.049 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.059 7.598 0.708 1.00 0.00 H new ATOM 1139 N GLY A 76 14.141 9.463 2.994 1.00 0.00 N ATOM 1140 CA GLY A 76 12.767 9.896 2.874 1.00 0.00 C ATOM 1141 C GLY A 76 12.008 9.058 1.848 1.00 0.00 C ATOM 1142 O GLY A 76 10.821 9.301 1.622 1.00 0.00 O ATOM 0 H GLY A 76 14.336 8.901 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.274 9.822 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.739 10.946 2.582 1.00 0.00 H new ATOM 1146 N GLU A 77 12.668 8.095 1.198 1.00 0.00 N ATOM 1147 CA GLU A 77 12.002 7.099 0.387 1.00 0.00 C ATOM 1148 C GLU A 77 11.341 6.126 1.348 1.00 0.00 C ATOM 1149 O GLU A 77 12.026 5.510 2.173 1.00 0.00 O ATOM 1150 CB GLU A 77 12.948 6.419 -0.609 1.00 0.00 C ATOM 1151 CG GLU A 77 13.506 7.456 -1.597 1.00 0.00 C ATOM 1152 CD GLU A 77 14.179 6.878 -2.842 1.00 0.00 C ATOM 1153 OE1 GLU A 77 14.325 5.643 -2.950 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.626 7.668 -3.702 1.00 0.00 O ATOM 0 H GLU A 77 13.682 7.993 1.226 1.00 0.00 H new ATOM 0 HA GLU A 77 11.249 7.563 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.766 5.937 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.417 5.637 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.691 8.106 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.228 8.082 -1.072 1.00 0.00 H new ATOM 1161 N LEU A 78 10.012 6.088 1.281 1.00 0.00 N ATOM 1162 CA LEU A 78 9.153 5.155 1.981 1.00 0.00 C ATOM 1163 C LEU A 78 9.327 3.828 1.270 1.00 0.00 C ATOM 1164 O LEU A 78 9.211 3.805 0.044 1.00 0.00 O ATOM 1165 CB LEU A 78 7.695 5.638 1.866 1.00 0.00 C ATOM 1166 CG LEU A 78 6.713 4.851 2.757 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.884 5.255 4.213 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.263 5.149 2.371 1.00 0.00 C ATOM 0 H LEU A 78 9.485 6.744 0.705 1.00 0.00 H new ATOM 0 HA LEU A 78 9.399 5.070 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.649 6.694 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.375 5.557 0.827 1.00 0.00 H new ATOM 0 HG LEU A 78 6.930 3.792 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.185 4.692 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.904 5.042 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.686 6.321 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.591 4.581 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.066 6.214 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.097 4.864 1.332 1.00 0.00 H new ATOM 1180 N VAL A 79 9.628 2.764 2.004 1.00 0.00 N ATOM 1181 CA VAL A 79 9.750 1.425 1.467 1.00 0.00 C ATOM 1182 C VAL A 79 8.823 0.552 2.298 1.00 0.00 C ATOM 1183 O VAL A 79 8.924 0.532 3.529 1.00 0.00 O ATOM 1184 CB VAL A 79 11.226 0.955 1.492 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.387 -0.347 0.689 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.193 2.040 0.990 1.00 0.00 C ATOM 0 H VAL A 79 9.796 2.814 3.009 1.00 0.00 H new ATOM 0 HA VAL A 79 9.459 1.372 0.418 1.00 0.00 H new ATOM 0 HB VAL A 79 11.489 0.760 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.429 -0.665 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.760 -1.124 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.086 -0.176 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.215 1.662 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.941 2.305 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.110 2.923 1.624 1.00 0.00 H new ATOM 1196 N LEU A 80 7.886 -0.148 1.662 1.00 0.00 N ATOM 1197 CA LEU A 80 7.068 -1.133 2.345 1.00 0.00 C ATOM 1198 C LEU A 80 6.900 -2.358 1.467 1.00 0.00 C ATOM 1199 O LEU A 80 7.077 -2.309 0.246 1.00 0.00 O ATOM 1200 CB LEU A 80 5.731 -0.531 2.812 1.00 0.00 C ATOM 1201 CG LEU A 80 4.556 -0.533 1.816 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.340 0.130 2.462 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.845 0.237 0.533 1.00 0.00 C ATOM 0 H LEU A 80 7.678 -0.046 0.669 1.00 0.00 H new ATOM 0 HA LEU A 80 7.575 -1.453 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.414 -1.070 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.915 0.501 3.111 1.00 0.00 H new ATOM 0 HG LEU A 80 4.382 -1.579 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.508 0.129 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.058 -0.423 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.586 1.157 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.974 0.193 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.066 1.277 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.702 -0.208 0.027 1.00 0.00 H new ATOM 1215 N THR A 81 6.575 -3.473 2.106 1.00 0.00 N ATOM 1216 CA THR A 81 6.478 -4.760 1.456 1.00 0.00 C ATOM 1217 C THR A 81 5.264 -5.443 2.079 1.00 0.00 C ATOM 1218 O THR A 81 5.055 -5.327 3.294 1.00 0.00 O ATOM 1219 CB THR A 81 7.818 -5.517 1.595 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.995 -6.133 2.860 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.054 -4.647 1.377 1.00 0.00 C ATOM 0 H THR A 81 6.370 -3.503 3.105 1.00 0.00 H new ATOM 0 HA THR A 81 6.320 -4.707 0.379 1.00 0.00 H new ATOM 0 HB THR A 81 7.738 -6.265 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.531 -6.996 2.871 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.952 -5.255 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.029 -4.224 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.065 -3.840 2.110 1.00 0.00 H new ATOM 1229 N SER A 82 4.412 -6.068 1.273 1.00 0.00 N ATOM 1230 CA SER A 82 3.253 -6.772 1.779 1.00 0.00 C ATOM 1231 C SER A 82 3.054 -8.022 0.944 1.00 0.00 C ATOM 1232 O SER A 82 2.708 -7.942 -0.236 1.00 0.00 O ATOM 1233 CB SER A 82 2.057 -5.815 1.838 1.00 0.00 C ATOM 1234 OG SER A 82 1.374 -6.034 3.054 1.00 0.00 O ATOM 0 H SER A 82 4.510 -6.097 0.258 1.00 0.00 H new ATOM 0 HA SER A 82 3.385 -7.113 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.395 -4.781 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.391 -5.987 0.992 1.00 0.00 H new ATOM 0 HG SER A 82 0.496 -6.429 2.870 1.00 0.00 H new ATOM 1240 N GLU A 83 3.365 -9.176 1.527 1.00 0.00 N ATOM 1241 CA GLU A 83 3.594 -10.404 0.801 1.00 0.00 C ATOM 1242 C GLU A 83 2.975 -11.593 1.536 1.00 0.00 C ATOM 1243 O GLU A 83 3.186 -11.764 2.738 1.00 0.00 O ATOM 1244 CB GLU A 83 5.105 -10.565 0.554 1.00 0.00 C ATOM 1245 CG GLU A 83 6.041 -10.584 1.784 1.00 0.00 C ATOM 1246 CD GLU A 83 6.213 -9.236 2.504 1.00 0.00 C ATOM 1247 OE1 GLU A 83 5.412 -8.934 3.418 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.188 -8.514 2.181 1.00 0.00 O ATOM 0 H GLU A 83 3.465 -9.277 2.537 1.00 0.00 H new ATOM 0 HA GLU A 83 3.101 -10.366 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.257 -11.494 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.426 -9.752 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.658 -11.312 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.023 -10.935 1.467 1.00 0.00 H new ATOM 1255 N SER A 84 2.207 -12.423 0.831 1.00 0.00 N ATOM 1256 CA SER A 84 1.691 -13.702 1.318 1.00 0.00 C ATOM 1257 C SER A 84 1.324 -14.685 0.194 1.00 0.00 C ATOM 1258 O SER A 84 1.113 -15.865 0.492 1.00 0.00 O ATOM 1259 CB SER A 84 0.464 -13.452 2.207 1.00 0.00 C ATOM 1260 OG SER A 84 0.869 -12.956 3.468 1.00 0.00 O ATOM 0 H SER A 84 1.918 -12.217 -0.125 1.00 0.00 H new ATOM 0 HA SER A 84 2.495 -14.169 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.205 -12.739 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.097 -14.378 2.335 1.00 0.00 H new ATOM 0 HG SER A 84 1.765 -12.567 3.394 1.00 0.00 H new ATOM 1266 N SER A 85 1.266 -14.258 -1.073 1.00 0.00 N ATOM 1267 CA SER A 85 0.747 -15.074 -2.170 1.00 0.00 C ATOM 1268 C SER A 85 1.833 -15.391 -3.216 1.00 0.00 C ATOM 1269 O SER A 85 2.906 -14.794 -3.214 1.00 0.00 O ATOM 1270 CB SER A 85 -0.498 -14.382 -2.745 1.00 0.00 C ATOM 1271 OG SER A 85 -0.290 -13.028 -3.099 1.00 0.00 O ATOM 0 H SER A 85 1.580 -13.332 -1.364 1.00 0.00 H new ATOM 0 HA SER A 85 0.443 -16.053 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.832 -14.930 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.303 -14.436 -2.012 1.00 0.00 H new ATOM 0 HG SER A 85 -0.669 -12.860 -3.987 1.00 0.00 H new ATOM 1277 N ARG A 86 1.594 -16.348 -4.126 1.00 0.00 N ATOM 1278 CA ARG A 86 2.564 -16.725 -5.179 1.00 0.00 C ATOM 1279 C ARG A 86 2.442 -15.857 -6.440 1.00 0.00 C ATOM 1280 O ARG A 86 3.104 -16.142 -7.439 1.00 0.00 O ATOM 1281 CB ARG A 86 2.476 -18.241 -5.480 1.00 0.00 C ATOM 1282 CG ARG A 86 1.148 -18.747 -6.082 1.00 0.00 C ATOM 1283 CD ARG A 86 1.235 -19.250 -7.540 1.00 0.00 C ATOM 1284 NE ARG A 86 0.127 -20.182 -7.839 1.00 0.00 N ATOM 1285 CZ ARG A 86 -0.253 -20.704 -9.013 1.00 0.00 C ATOM 1286 NH1 ARG A 86 0.324 -20.354 -10.152 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -1.219 -21.617 -9.046 1.00 0.00 N ATOM 0 H ARG A 86 0.727 -16.884 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 86 3.564 -16.524 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.282 -18.500 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.659 -18.784 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.770 -19.556 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.416 -17.940 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.199 -18.403 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.190 -19.750 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.429 -20.470 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.080 -19.669 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.013 -20.769 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.667 -21.917 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.512 -22.017 -9.937 1.00 0.00 H new ATOM 1301 N TYR A 87 1.570 -14.852 -6.414 1.00 0.00 N ATOM 1302 CA TYR A 87 1.265 -13.949 -7.521 1.00 0.00 C ATOM 1303 C TYR A 87 2.176 -12.707 -7.439 1.00 0.00 C ATOM 1304 O TYR A 87 2.850 -12.517 -6.430 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.221 -13.568 -7.413 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.162 -14.637 -6.857 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.153 -15.956 -7.353 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.008 -14.325 -5.779 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -1.976 -16.944 -6.773 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -2.845 -15.289 -5.210 1.00 0.00 C ATOM 1311 CZ TYR A 87 -2.826 -16.607 -5.693 1.00 0.00 C ATOM 1312 OH TYR A 87 -3.635 -17.518 -5.091 1.00 0.00 O ATOM 0 H TYR A 87 1.029 -14.634 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 87 1.447 -14.424 -8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.301 -12.682 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.574 -13.286 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.511 -16.212 -8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.011 -13.320 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.957 -17.955 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.506 -15.020 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.137 -17.084 -4.370 1.00 0.00 H new ATOM 1322 N GLN A 88 2.187 -11.827 -8.446 1.00 0.00 N ATOM 1323 CA GLN A 88 3.034 -10.628 -8.467 1.00 0.00 C ATOM 1324 C GLN A 88 2.188 -9.383 -8.174 1.00 0.00 C ATOM 1325 O GLN A 88 2.228 -8.887 -7.047 1.00 0.00 O ATOM 1326 CB GLN A 88 3.848 -10.520 -9.769 1.00 0.00 C ATOM 1327 CG GLN A 88 4.657 -11.785 -10.111 1.00 0.00 C ATOM 1328 CD GLN A 88 3.843 -12.806 -10.909 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.273 -12.490 -11.955 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.745 -14.045 -10.448 1.00 0.00 N ATOM 0 H GLN A 88 1.604 -11.927 -9.277 1.00 0.00 H new ATOM 0 HA GLN A 88 3.777 -10.709 -7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.168 -10.303 -10.593 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.532 -9.675 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.541 -11.503 -10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.009 -12.247 -9.189 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.217 -14.306 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.198 -14.738 -10.959 1.00 0.00 H new ATOM 1339 N PHE A 89 1.368 -8.920 -9.132 1.00 0.00 N ATOM 1340 CA PHE A 89 0.422 -7.807 -8.949 1.00 0.00 C ATOM 1341 C PHE A 89 -0.394 -7.991 -7.663 1.00 0.00 C ATOM 1342 O PHE A 89 -0.615 -7.020 -6.957 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.500 -7.657 -10.177 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.897 -7.102 -9.896 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.081 -5.866 -9.247 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.034 -7.866 -10.219 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.369 -5.466 -8.849 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.322 -7.464 -9.837 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.485 -6.270 -9.127 1.00 0.00 C ATOM 0 H PHE A 89 1.344 -9.316 -10.072 1.00 0.00 H new ATOM 0 HA PHE A 89 0.998 -6.886 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.009 -7.005 -10.899 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.606 -8.633 -10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.233 -5.225 -9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.912 -8.784 -10.774 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.501 -4.531 -8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.180 -8.070 -10.089 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.467 -5.968 -8.794 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.845 -9.203 -7.324 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.730 -9.385 -6.172 1.00 0.00 C ATOM 1361 C ARG A 90 -1.058 -8.989 -4.859 1.00 0.00 C ATOM 1362 O ARG A 90 -1.669 -8.288 -4.060 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.202 -10.836 -6.095 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.606 -10.973 -5.490 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.626 -11.004 -3.954 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.748 -10.235 -3.398 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.021 -10.636 -3.288 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.457 -11.743 -3.891 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.844 -9.895 -2.556 1.00 0.00 N ATOM 0 H ARG A 90 -0.615 -10.062 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.586 -8.726 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.199 -11.268 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.496 -11.412 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.221 -10.142 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.065 -11.887 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.692 -12.037 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.688 -10.602 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.535 -9.297 -3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.816 -12.305 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.431 -12.028 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.500 -9.050 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.820 -10.170 -2.450 1.00 0.00 H new ATOM 1383 N ASN A 91 0.178 -9.444 -4.637 1.00 0.00 N ATOM 1384 CA ASN A 91 0.963 -9.057 -3.467 1.00 0.00 C ATOM 1385 C ASN A 91 1.145 -7.540 -3.497 1.00 0.00 C ATOM 1386 O ASN A 91 0.851 -6.840 -2.530 1.00 0.00 O ATOM 1387 CB ASN A 91 2.340 -9.736 -3.499 1.00 0.00 C ATOM 1388 CG ASN A 91 2.377 -11.155 -2.960 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.954 -11.439 -1.846 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.959 -12.071 -3.703 1.00 0.00 N ATOM 0 H ASN A 91 0.660 -10.089 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 91 0.446 -9.366 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.698 -9.747 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.040 -9.129 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.060 -13.024 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.309 -11.829 -4.630 1.00 0.00 H new ATOM 1397 N LEU A 92 1.591 -7.026 -4.650 1.00 0.00 N ATOM 1398 CA LEU A 92 1.829 -5.608 -4.880 1.00 0.00 C ATOM 1399 C LEU A 92 0.577 -4.776 -4.565 1.00 0.00 C ATOM 1400 O LEU A 92 0.692 -3.679 -4.028 1.00 0.00 O ATOM 1401 CB LEU A 92 2.292 -5.424 -6.333 1.00 0.00 C ATOM 1402 CG LEU A 92 2.651 -3.980 -6.719 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.840 -3.445 -5.912 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.987 -3.970 -8.214 1.00 0.00 C ATOM 0 H LEU A 92 1.799 -7.604 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 92 2.609 -5.248 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.162 -6.058 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.504 -5.777 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 92 1.804 -3.330 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.057 -2.422 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.596 -3.461 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.714 -4.071 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.247 -2.957 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.831 -4.634 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.123 -4.312 -8.783 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.619 -5.294 -4.859 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.894 -4.630 -4.649 1.00 0.00 C ATOM 1418 C ALA A 93 -2.112 -4.300 -3.178 1.00 0.00 C ATOM 1419 O ALA A 93 -2.726 -3.277 -2.891 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.052 -5.506 -5.149 1.00 0.00 C ATOM 0 H ALA A 93 -0.722 -6.224 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.872 -3.700 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.997 -4.990 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.928 -5.700 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.054 -6.451 -4.606 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.642 -5.137 -2.256 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.763 -4.893 -0.831 1.00 0.00 C ATOM 1428 C GLU A 94 -0.833 -3.766 -0.402 1.00 0.00 C ATOM 1429 O GLU A 94 -1.237 -2.899 0.366 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.403 -6.170 -0.094 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.867 -6.120 1.347 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.615 -7.487 1.966 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -2.465 -8.386 1.799 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -0.537 -7.685 2.574 1.00 0.00 O ATOM 0 H GLU A 94 -1.164 -6.009 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.785 -4.597 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.859 -7.024 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.324 -6.320 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.328 -5.347 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.926 -5.867 1.399 1.00 0.00 H new ATOM 1441 N CYS A 95 0.390 -3.731 -0.940 1.00 0.00 N ATOM 1442 CA CYS A 95 1.264 -2.572 -0.809 1.00 0.00 C ATOM 1443 C CYS A 95 0.490 -1.300 -1.188 1.00 0.00 C ATOM 1444 O CYS A 95 0.471 -0.335 -0.421 1.00 0.00 O ATOM 1445 CB CYS A 95 2.519 -2.774 -1.677 1.00 0.00 C ATOM 1446 SG CYS A 95 3.891 -3.357 -0.652 1.00 0.00 S ATOM 0 H CYS A 95 0.795 -4.500 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 95 1.594 -2.459 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.312 -3.495 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.790 -1.837 -2.163 1.00 0.00 H new ATOM 0 HG CYS A 95 4.945 -3.527 -1.394 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.177 -1.308 -2.349 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.931 -0.154 -2.830 1.00 0.00 C ATOM 1454 C LEU A 96 -2.151 0.119 -1.953 1.00 0.00 C ATOM 1455 O LEU A 96 -2.530 1.280 -1.815 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.372 -0.287 -4.292 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.334 -0.793 -5.309 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.873 -0.501 -6.711 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.107 -0.275 -5.178 1.00 0.00 C ATOM 0 H LEU A 96 -0.207 -2.113 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.243 0.689 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.229 -0.960 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.721 0.690 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.223 -1.857 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.157 -0.849 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.822 -1.018 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.024 0.572 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.725 -0.716 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.114 0.810 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.506 -0.551 -4.202 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.762 -0.911 -1.352 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.838 -0.732 -0.388 1.00 0.00 C ATOM 1473 C GLN A 97 -3.321 0.101 0.771 1.00 0.00 C ATOM 1474 O GLN A 97 -3.964 1.100 1.105 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.457 -2.064 0.083 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.602 -1.878 1.103 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.768 -1.044 0.567 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.242 -1.260 -0.546 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.255 -0.066 1.304 1.00 0.00 N ATOM 0 H GLN A 97 -2.520 -1.887 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.656 -0.204 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.836 -2.607 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.678 -2.681 0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.974 -2.858 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.206 -1.400 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.866 0.118 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.021 0.507 0.950 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.177 -0.270 1.366 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.771 0.458 2.560 1.00 0.00 C ATOM 1490 C LYS A 98 -1.357 1.844 2.163 1.00 0.00 C ATOM 1491 O LYS A 98 -1.775 2.750 2.843 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.740 -0.180 3.495 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.804 -1.725 3.547 1.00 0.00 C ATOM 1494 CD LYS A 98 0.531 -2.423 3.231 1.00 0.00 C ATOM 1495 CE LYS A 98 1.065 -3.304 4.362 1.00 0.00 C ATOM 1496 NZ LYS A 98 0.962 -2.666 5.691 1.00 0.00 N ATOM 0 H LYS A 98 -1.557 -1.020 1.060 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.661 0.448 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.258 0.121 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.886 0.213 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.135 -2.030 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.558 -2.070 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.405 -3.035 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.277 -1.664 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.514 -4.244 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.108 -3.548 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.731 -3.009 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.036 -1.634 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.046 -2.906 6.121 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.666 2.052 1.041 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.399 3.382 0.510 1.00 0.00 C ATOM 1512 C ILE A 99 -1.643 4.289 0.571 1.00 0.00 C ATOM 1513 O ILE A 99 -1.505 5.452 0.949 1.00 0.00 O ATOM 1514 CB ILE A 99 0.211 3.206 -0.890 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.688 2.798 -0.740 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.048 4.448 -1.764 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.238 2.079 -1.976 1.00 0.00 C ATOM 0 H ILE A 99 -0.276 1.298 0.476 1.00 0.00 H new ATOM 0 HA ILE A 99 0.324 3.916 1.127 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.332 2.416 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.287 3.688 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.793 2.148 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.497 4.267 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.012 4.670 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.543 5.295 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.283 1.817 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.661 1.172 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.162 2.736 -2.843 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.845 3.795 0.247 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.076 4.588 0.318 1.00 0.00 C ATOM 1531 C ARG A 100 -4.458 4.854 1.775 1.00 0.00 C ATOM 1532 O ARG A 100 -4.796 5.982 2.115 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.239 3.868 -0.384 1.00 0.00 C ATOM 1534 CG ARG A 100 -5.016 3.530 -1.873 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.828 2.277 -2.222 1.00 0.00 C ATOM 1536 NE ARG A 100 -5.456 1.663 -3.507 1.00 0.00 N ATOM 1537 CZ ARG A 100 -5.513 0.353 -3.776 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -6.160 -0.491 -2.986 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -4.910 -0.136 -4.851 1.00 0.00 N ATOM 0 H ARG A 100 -2.990 2.837 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.887 5.534 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.446 2.942 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.130 4.490 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.324 4.366 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.957 3.360 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.700 1.541 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.886 2.537 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.130 2.283 -4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.631 -0.147 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.188 -1.485 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.400 0.487 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.956 -1.135 -5.052 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.416 3.839 2.637 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.651 3.996 4.076 1.00 0.00 C ATOM 1555 C ASP A 101 -3.645 4.949 4.708 1.00 0.00 C ATOM 1556 O ASP A 101 -4.059 5.875 5.371 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.665 2.638 4.779 1.00 0.00 C ATOM 1558 CG ASP A 101 -4.228 2.645 6.238 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -5.065 2.975 7.108 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -3.087 2.202 6.500 1.00 0.00 O ATOM 0 H ASP A 101 -4.217 2.878 2.357 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.636 4.444 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.675 2.231 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.016 1.957 4.228 1.00 0.00 H new ATOM 1565 N MET A 102 -2.354 4.825 4.434 1.00 0.00 N ATOM 1566 CA MET A 102 -1.276 5.695 4.883 1.00 0.00 C ATOM 1567 C MET A 102 -1.543 7.160 4.519 1.00 0.00 C ATOM 1568 O MET A 102 -1.038 8.055 5.187 1.00 0.00 O ATOM 1569 CB MET A 102 0.019 5.238 4.209 1.00 0.00 C ATOM 1570 CG MET A 102 0.444 3.816 4.603 1.00 0.00 C ATOM 1571 SD MET A 102 1.569 3.092 3.391 1.00 0.00 S ATOM 1572 CE MET A 102 3.067 3.182 4.358 1.00 0.00 C ATOM 0 H MET A 102 -2.009 4.062 3.852 1.00 0.00 H new ATOM 0 HA MET A 102 -1.201 5.630 5.968 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.107 5.285 3.127 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.819 5.933 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.928 3.839 5.580 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.440 3.186 4.700 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.919 2.911 3.735 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.199 4.198 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.999 2.492 5.199 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.295 7.415 3.443 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.694 8.742 2.986 1.00 0.00 C ATOM 1584 C ILE A 103 -3.965 9.164 3.736 1.00 0.00 C ATOM 1585 O ILE A 103 -4.048 10.277 4.255 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.832 8.684 1.440 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.411 8.649 0.838 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.655 9.794 0.761 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -1.386 8.179 -0.614 1.00 0.00 C ATOM 0 H ILE A 103 -2.654 6.670 2.846 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.956 9.513 3.208 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.413 7.784 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.973 9.645 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.785 7.989 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.668 9.630 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.676 9.776 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.205 10.763 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.359 8.177 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.795 7.171 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.986 8.853 -1.225 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.956 8.279 3.821 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.222 8.515 4.492 1.00 0.00 C ATOM 1603 C ALA A 104 -6.029 8.750 5.992 1.00 0.00 C ATOM 1604 O ALA A 104 -6.607 9.666 6.569 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.130 7.308 4.220 1.00 0.00 C ATOM 0 H ALA A 104 -4.893 7.348 3.409 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.685 9.422 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.091 7.457 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.285 7.204 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.660 6.404 4.608 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.235 7.921 6.656 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.911 7.966 8.071 1.00 0.00 C ATOM 1613 C GLU A 105 -4.070 9.208 8.397 1.00 0.00 C ATOM 1614 O GLU A 105 -3.965 9.601 9.558 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.246 6.626 8.487 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.703 6.579 8.392 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.086 5.500 9.286 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.200 5.623 10.529 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.480 4.508 8.814 1.00 0.00 O ATOM 0 H GLU A 105 -4.769 7.146 6.185 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.818 8.068 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.534 6.403 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.653 5.831 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.413 6.397 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.297 7.551 8.671 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.471 9.820 7.373 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.660 11.019 7.444 1.00 0.00 C ATOM 1628 C ALA A 106 -3.464 12.284 7.108 1.00 0.00 C ATOM 1629 O ALA A 106 -2.918 13.388 7.178 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.487 10.831 6.481 1.00 0.00 C ATOM 0 H ALA A 106 -3.549 9.464 6.420 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.301 11.163 8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.851 11.716 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.907 9.958 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.866 10.685 5.470 1.00 0.00 H new ATOM 1636 N SER A 107 -4.737 12.137 6.736 1.00 0.00 N ATOM 1637 CA SER A 107 -5.632 13.220 6.363 1.00 0.00 C ATOM 1638 C SER A 107 -6.752 13.304 7.404 1.00 0.00 C ATOM 1639 O SER A 107 -7.058 14.382 7.929 1.00 0.00 O ATOM 1640 CB SER A 107 -6.165 12.922 4.958 1.00 0.00 C ATOM 1641 OG SER A 107 -7.027 13.938 4.490 1.00 0.00 O ATOM 0 H SER A 107 -5.185 11.222 6.686 1.00 0.00 H new ATOM 0 HA SER A 107 -5.126 14.185 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.328 12.812 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.698 11.971 4.967 1.00 0.00 H new ATOM 0 HG SER A 107 -7.343 13.710 3.591 1.00 0.00 H new