USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 CYS SG : rot 100:sc= -2.04 USER MOD Set 1.2: A 65 CYS SG : rot 131:sc= -1.87 USER MOD Set 1.3: A 81 HIS : no HE2:sc= -4.03 K(o=-10,f=-8.2!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -2.37 K(o=-10,f=-11!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.0646 X(o=-0.065,f=0) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 CYS SG : rot 48:sc= -1.87 USER MOD Set 3.2: A 31 CYS SG : rot -137:sc= 0.348 USER MOD Set 3.3: A 44 HIS : no HD1:sc= -4.47! C(o=-14!,f=-14!) USER MOD Set 3.4: A 49 HIS : no HD1:sc= -7.74! C(o=-14!,f=-16!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0428) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.037 USER MOD Single : A 34 THR OG1 : rot 41:sc= 0.312 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.836 USER MOD Single : A 38 MET CE :methyl -166:sc= -1.94 (180deg=-2.81) USER MOD Single : A 46 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 47 MET CE :methyl 167:sc=-0.00447 (180deg=-0.209) USER MOD Single : A 55 GLN : amide:sc= -3.28! C(o=-3.3!,f=-2.9!) USER MOD Single : A 56 ASN : amide:sc= -0.978 K(o=-0.98,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -72:sc= 0.664 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.259) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.495 K(o=-0.5,f=-3.8!) USER MOD Single : A 86 THR OG1 : rot -20:sc= -0.156 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -13.678 9.438 1.090 1.00 0.00 N ATOM 156 CA GLU A 13 -13.326 8.287 1.912 1.00 0.00 C ATOM 157 C GLU A 13 -12.444 7.314 1.137 1.00 0.00 C ATOM 158 O GLU A 13 -12.940 6.431 0.435 1.00 0.00 O ATOM 159 CB GLU A 13 -14.590 7.572 2.396 1.00 0.00 C ATOM 160 CG GLU A 13 -15.779 8.499 2.584 1.00 0.00 C ATOM 161 CD GLU A 13 -17.081 7.746 2.776 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.359 6.830 1.973 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.822 8.072 3.726 1.00 0.00 O ATOM 0 HA GLU A 13 -12.767 8.647 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.855 6.795 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.376 7.073 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.603 9.139 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.866 9.153 1.716 1.00 0.00 H new ATOM 170 N LEU A 14 -11.132 7.480 1.268 1.00 0.00 N ATOM 171 CA LEU A 14 -10.178 6.617 0.580 1.00 0.00 C ATOM 172 C LEU A 14 -10.403 5.154 0.949 1.00 0.00 C ATOM 173 O LEU A 14 -10.450 4.801 2.127 1.00 0.00 O ATOM 174 CB LEU A 14 -8.746 7.028 0.926 1.00 0.00 C ATOM 175 CG LEU A 14 -8.405 8.505 0.726 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.655 9.048 1.932 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.586 8.696 -0.543 1.00 0.00 C ATOM 0 H LEU A 14 -10.705 8.205 1.845 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.332 6.730 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.557 6.770 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.062 6.433 0.321 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.336 9.062 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.421 10.100 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.275 8.946 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.730 8.487 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.352 9.753 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.660 8.126 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.159 8.346 -1.402 1.00 0.00 H new ATOM 189 N SER A 15 -10.540 4.308 -0.067 1.00 0.00 N ATOM 190 CA SER A 15 -10.761 2.883 0.150 1.00 0.00 C ATOM 191 C SER A 15 -9.526 2.076 -0.237 1.00 0.00 C ATOM 192 O SER A 15 -8.984 2.234 -1.332 1.00 0.00 O ATOM 193 CB SER A 15 -11.970 2.404 -0.656 1.00 0.00 C ATOM 194 OG SER A 15 -13.125 3.163 -0.343 1.00 0.00 O ATOM 0 H SER A 15 -10.502 4.584 -1.048 1.00 0.00 H new ATOM 0 HA SER A 15 -10.956 2.729 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.756 2.485 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.156 1.350 -0.447 1.00 0.00 H new ATOM 0 HG SER A 15 -13.883 2.838 -0.872 1.00 0.00 H new ATOM 200 N CYS A 16 -9.085 1.210 0.670 1.00 0.00 N ATOM 201 CA CYS A 16 -7.913 0.378 0.426 1.00 0.00 C ATOM 202 C CYS A 16 -8.269 -0.820 -0.451 1.00 0.00 C ATOM 203 O CYS A 16 -8.713 -1.856 0.045 1.00 0.00 O ATOM 204 CB CYS A 16 -7.319 -0.105 1.751 1.00 0.00 C ATOM 205 SG CYS A 16 -6.076 -1.424 1.572 1.00 0.00 S ATOM 0 H CYS A 16 -9.522 1.066 1.580 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.172 0.982 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.863 0.742 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.126 -0.465 2.389 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.222 -1.093 0.649 1.00 0.00 H new ATOM 210 N LYS A 17 -8.072 -0.670 -1.756 1.00 0.00 N ATOM 211 CA LYS A 17 -8.370 -1.738 -2.703 1.00 0.00 C ATOM 212 C LYS A 17 -7.262 -2.786 -2.707 1.00 0.00 C ATOM 213 O LYS A 17 -6.708 -3.113 -3.757 1.00 0.00 O ATOM 214 CB LYS A 17 -8.550 -1.164 -4.110 1.00 0.00 C ATOM 215 CG LYS A 17 -9.762 -0.260 -4.248 1.00 0.00 C ATOM 216 CD LYS A 17 -11.053 -1.013 -3.976 1.00 0.00 C ATOM 217 CE LYS A 17 -12.272 -0.186 -4.357 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.400 -0.390 -3.407 1.00 0.00 N ATOM 0 H LYS A 17 -7.707 0.182 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.298 -2.218 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.656 -0.603 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.638 -1.986 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.674 0.576 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.790 0.161 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.056 -1.947 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.106 -1.276 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.002 0.870 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.592 -0.454 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.211 0.191 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.675 -1.393 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.103 -0.110 -2.450 1.00 0.00 H new ATOM 232 N TRP A 18 -6.945 -3.311 -1.529 1.00 0.00 N ATOM 233 CA TRP A 18 -5.904 -4.324 -1.398 1.00 0.00 C ATOM 234 C TRP A 18 -6.502 -5.726 -1.431 1.00 0.00 C ATOM 235 O TRP A 18 -7.177 -6.145 -0.491 1.00 0.00 O ATOM 236 CB TRP A 18 -5.125 -4.119 -0.098 1.00 0.00 C ATOM 237 CG TRP A 18 -4.023 -5.116 0.097 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.144 -6.387 0.581 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.633 -4.922 -0.184 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.913 -6.996 0.617 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.969 -6.119 0.152 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.884 -3.856 -0.690 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.594 -6.275 -0.001 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.519 -4.013 -0.840 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.114 -5.215 -0.498 1.00 0.00 C ATOM 0 H TRP A 18 -7.394 -3.052 -0.651 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.222 -4.220 -2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.702 -3.114 -0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.814 -4.181 0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.071 -6.846 0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.731 -7.947 0.938 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.363 -2.926 -0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.104 -7.200 0.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.070 -3.195 -1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.182 -5.307 -0.629 1.00 0.00 H new ATOM 256 N ILE A 19 -6.250 -6.446 -2.519 1.00 0.00 N ATOM 257 CA ILE A 19 -6.762 -7.802 -2.672 1.00 0.00 C ATOM 258 C ILE A 19 -5.686 -8.836 -2.359 1.00 0.00 C ATOM 259 O ILE A 19 -4.901 -9.212 -3.229 1.00 0.00 O ATOM 260 CB ILE A 19 -7.293 -8.045 -4.098 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.467 -7.111 -4.395 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.710 -9.499 -4.267 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.275 -6.278 -5.643 1.00 0.00 C ATOM 0 H ILE A 19 -5.695 -6.113 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.583 -7.911 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.495 -7.831 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.375 -7.704 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.617 -6.447 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.083 -9.655 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.851 -10.147 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.496 -9.738 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.146 -5.640 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.385 -5.658 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.156 -6.935 -6.504 1.00 0.00 H new ATOM 275 N ASP A 20 -5.657 -9.292 -1.112 1.00 0.00 N ATOM 276 CA ASP A 20 -4.678 -10.285 -0.684 1.00 0.00 C ATOM 277 C ASP A 20 -4.811 -11.566 -1.501 1.00 0.00 C ATOM 278 O ASP A 20 -5.418 -11.570 -2.571 1.00 0.00 O ATOM 279 CB ASP A 20 -4.851 -10.594 0.804 1.00 0.00 C ATOM 280 CG ASP A 20 -3.539 -10.938 1.480 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.606 -10.108 1.424 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.444 -12.036 2.067 1.00 0.00 O ATOM 0 H ASP A 20 -6.300 -8.990 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.683 -9.872 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.298 -9.733 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.546 -11.426 0.921 1.00 0.00 H new ATOM 287 N GLU A 21 -4.238 -12.651 -0.989 1.00 0.00 N ATOM 288 CA GLU A 21 -4.292 -13.938 -1.673 1.00 0.00 C ATOM 289 C GLU A 21 -4.485 -15.076 -0.675 1.00 0.00 C ATOM 290 O GLU A 21 -3.892 -15.079 0.403 1.00 0.00 O ATOM 291 CB GLU A 21 -3.012 -14.164 -2.481 1.00 0.00 C ATOM 292 CG GLU A 21 -3.048 -15.419 -3.337 1.00 0.00 C ATOM 293 CD GLU A 21 -2.310 -15.250 -4.651 1.00 0.00 C ATOM 294 OE1 GLU A 21 -2.286 -14.116 -5.175 1.00 0.00 O ATOM 295 OE2 GLU A 21 -1.756 -16.249 -5.154 1.00 0.00 O ATOM 0 H GLU A 21 -3.732 -12.664 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.144 -13.925 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.840 -13.300 -3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.166 -14.225 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.607 -16.246 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.085 -15.687 -3.539 1.00 0.00 H new ATOM 383 N PRO A 27 -14.053 -15.850 -3.324 1.00 0.00 N ATOM 384 CA PRO A 27 -12.749 -15.698 -3.976 1.00 0.00 C ATOM 385 C PRO A 27 -12.002 -14.458 -3.496 1.00 0.00 C ATOM 386 O PRO A 27 -12.587 -13.568 -2.877 1.00 0.00 O ATOM 387 CB PRO A 27 -13.107 -15.566 -5.458 1.00 0.00 C ATOM 388 CG PRO A 27 -14.498 -15.033 -5.466 1.00 0.00 C ATOM 389 CD PRO A 27 -15.170 -15.613 -4.253 1.00 0.00 C ATOM 0 HA PRO A 27 -12.084 -16.533 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.422 -14.892 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.049 -16.528 -5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.499 -13.944 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.021 -15.322 -6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.903 -14.925 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.699 -16.536 -4.490 1.00 0.00 H new ATOM 397 N LYS A 28 -10.706 -14.404 -3.786 1.00 0.00 N ATOM 398 CA LYS A 28 -9.879 -13.272 -3.386 1.00 0.00 C ATOM 399 C LYS A 28 -10.669 -11.969 -3.454 1.00 0.00 C ATOM 400 O LYS A 28 -10.761 -11.341 -4.509 1.00 0.00 O ATOM 401 CB LYS A 28 -8.641 -13.178 -4.281 1.00 0.00 C ATOM 402 CG LYS A 28 -7.547 -14.165 -3.911 1.00 0.00 C ATOM 403 CD LYS A 28 -6.513 -14.291 -5.018 1.00 0.00 C ATOM 404 CE LYS A 28 -6.752 -15.533 -5.863 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.367 -16.778 -5.141 1.00 0.00 N ATOM 0 H LYS A 28 -10.206 -15.132 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.564 -13.431 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.937 -13.348 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.240 -12.166 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.059 -13.842 -2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.989 -15.141 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.548 -13.405 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.515 -14.332 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.804 -15.586 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.181 -15.458 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.661 -17.299 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.963 -16.531 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.208 -17.374 -5.004 1.00 0.00 H new ATOM 419 N LYS A 29 -11.237 -11.567 -2.322 1.00 0.00 N ATOM 420 CA LYS A 29 -12.018 -10.338 -2.252 1.00 0.00 C ATOM 421 C LYS A 29 -11.123 -9.143 -1.936 1.00 0.00 C ATOM 422 O LYS A 29 -9.914 -9.290 -1.761 1.00 0.00 O ATOM 423 CB LYS A 29 -13.113 -10.464 -1.191 1.00 0.00 C ATOM 424 CG LYS A 29 -13.702 -11.860 -1.088 1.00 0.00 C ATOM 425 CD LYS A 29 -14.688 -11.966 0.064 1.00 0.00 C ATOM 426 CE LYS A 29 -16.055 -11.422 -0.322 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.827 -10.970 0.868 1.00 0.00 N ATOM 0 H LYS A 29 -11.171 -12.075 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.482 -10.176 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.703 -10.179 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.911 -9.758 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.204 -12.114 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.900 -12.585 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.783 -13.008 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.306 -11.416 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.932 -10.588 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.617 -12.193 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.753 -10.606 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.966 -11.771 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.302 -10.216 1.356 1.00 0.00 H new ATOM 441 N SER A 30 -11.727 -7.961 -1.863 1.00 0.00 N ATOM 442 CA SER A 30 -10.984 -6.741 -1.569 1.00 0.00 C ATOM 443 C SER A 30 -11.017 -6.431 -0.076 1.00 0.00 C ATOM 444 O SER A 30 -12.064 -6.520 0.566 1.00 0.00 O ATOM 445 CB SER A 30 -11.562 -5.564 -2.359 1.00 0.00 C ATOM 446 OG SER A 30 -12.959 -5.714 -2.547 1.00 0.00 O ATOM 0 H SER A 30 -12.728 -7.822 -2.003 1.00 0.00 H new ATOM 0 HA SER A 30 -9.947 -6.896 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.361 -4.633 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.067 -5.494 -3.327 1.00 0.00 H new ATOM 0 HG SER A 30 -13.305 -4.949 -3.053 1.00 0.00 H new ATOM 452 N CYS A 31 -9.862 -6.065 0.471 1.00 0.00 N ATOM 453 CA CYS A 31 -9.756 -5.742 1.889 1.00 0.00 C ATOM 454 C CYS A 31 -10.864 -4.782 2.313 1.00 0.00 C ATOM 455 O CYS A 31 -11.508 -4.978 3.344 1.00 0.00 O ATOM 456 CB CYS A 31 -8.389 -5.125 2.192 1.00 0.00 C ATOM 457 SG CYS A 31 -8.438 -3.767 3.405 1.00 0.00 S ATOM 0 H CYS A 31 -8.987 -5.985 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.864 -6.667 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.724 -5.905 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.956 -4.753 1.263 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.677 -2.795 2.999 1.00 0.00 H new ATOM 462 N ASP A 32 -11.081 -3.746 1.510 1.00 0.00 N ATOM 463 CA ASP A 32 -12.112 -2.757 1.800 1.00 0.00 C ATOM 464 C ASP A 32 -11.787 -1.993 3.080 1.00 0.00 C ATOM 465 O ASP A 32 -11.383 -2.584 4.081 1.00 0.00 O ATOM 466 CB ASP A 32 -13.477 -3.434 1.928 1.00 0.00 C ATOM 467 CG ASP A 32 -14.622 -2.494 1.605 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.909 -2.299 0.405 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.232 -1.955 2.551 1.00 0.00 O ATOM 0 H ASP A 32 -10.556 -3.570 0.653 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.143 -2.048 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.517 -4.294 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.597 -3.813 2.943 1.00 0.00 H new ATOM 474 N ARG A 33 -11.966 -0.677 3.039 1.00 0.00 N ATOM 475 CA ARG A 33 -11.689 0.168 4.194 1.00 0.00 C ATOM 476 C ARG A 33 -12.141 1.603 3.939 1.00 0.00 C ATOM 477 O ARG A 33 -12.619 1.932 2.853 1.00 0.00 O ATOM 478 CB ARG A 33 -10.196 0.144 4.526 1.00 0.00 C ATOM 479 CG ARG A 33 -9.883 -0.462 5.884 1.00 0.00 C ATOM 480 CD ARG A 33 -9.997 0.571 6.994 1.00 0.00 C ATOM 481 NE ARG A 33 -11.308 0.542 7.636 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.640 1.315 8.665 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.761 2.173 9.164 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.853 1.231 9.195 1.00 0.00 N ATOM 0 H ARG A 33 -12.302 -0.173 2.218 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.249 -0.226 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.670 -0.421 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.809 1.163 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.567 -1.287 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.876 -0.878 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.224 0.388 7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.816 1.565 6.584 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.007 -0.107 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.828 2.241 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.018 2.765 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.532 0.573 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.107 1.825 9.985 1.00 0.00 H new ATOM 498 N THR A 34 -11.986 2.455 4.948 1.00 0.00 N ATOM 499 CA THR A 34 -12.379 3.854 4.834 1.00 0.00 C ATOM 500 C THR A 34 -11.447 4.754 5.637 1.00 0.00 C ATOM 501 O THR A 34 -11.390 4.669 6.864 1.00 0.00 O ATOM 502 CB THR A 34 -13.826 4.072 5.316 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.003 3.491 6.612 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.819 3.460 4.340 1.00 0.00 C ATOM 0 H THR A 34 -11.591 2.200 5.853 1.00 0.00 H new ATOM 0 HA THR A 34 -12.312 4.116 3.778 1.00 0.00 H new ATOM 0 HB THR A 34 -14.010 5.145 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.210 3.666 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.834 3.626 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.701 3.925 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.635 2.389 4.257 1.00 0.00 H new ATOM 512 N PHE A 35 -10.718 5.618 4.938 1.00 0.00 N ATOM 513 CA PHE A 35 -9.788 6.534 5.586 1.00 0.00 C ATOM 514 C PHE A 35 -10.080 7.978 5.188 1.00 0.00 C ATOM 515 O PHE A 35 -10.416 8.260 4.038 1.00 0.00 O ATOM 516 CB PHE A 35 -8.346 6.175 5.221 1.00 0.00 C ATOM 517 CG PHE A 35 -8.071 4.698 5.252 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.666 4.080 6.424 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.217 3.929 4.109 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.411 2.722 6.454 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.964 2.570 4.133 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.561 1.966 5.308 1.00 0.00 C ATOM 0 H PHE A 35 -10.754 5.703 3.922 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.917 6.439 6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.126 6.557 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.669 6.677 5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.548 4.666 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.532 4.397 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.094 2.252 7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.081 1.982 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.364 0.904 5.331 1.00 0.00 H new ATOM 532 N SER A 36 -9.950 8.889 6.148 1.00 0.00 N ATOM 533 CA SER A 36 -10.204 10.303 5.899 1.00 0.00 C ATOM 534 C SER A 36 -8.912 11.033 5.546 1.00 0.00 C ATOM 535 O SER A 36 -8.936 12.170 5.072 1.00 0.00 O ATOM 536 CB SER A 36 -10.850 10.950 7.126 1.00 0.00 C ATOM 537 OG SER A 36 -12.252 11.068 6.962 1.00 0.00 O ATOM 0 H SER A 36 -9.670 8.673 7.105 1.00 0.00 H new ATOM 0 HA SER A 36 -10.887 10.381 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.633 10.353 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.416 11.936 7.292 1.00 0.00 H new ATOM 0 HG SER A 36 -12.641 11.483 7.760 1.00 0.00 H new ATOM 543 N THR A 37 -7.783 10.371 5.780 1.00 0.00 N ATOM 544 CA THR A 37 -6.480 10.956 5.488 1.00 0.00 C ATOM 545 C THR A 37 -5.618 9.999 4.671 1.00 0.00 C ATOM 546 O THR A 37 -5.503 8.819 5.001 1.00 0.00 O ATOM 547 CB THR A 37 -5.729 11.329 6.780 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.622 10.184 7.633 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.446 12.451 7.517 1.00 0.00 C ATOM 0 H THR A 37 -7.745 9.430 6.171 1.00 0.00 H new ATOM 0 HA THR A 37 -6.663 11.861 4.909 1.00 0.00 H new ATOM 0 HB THR A 37 -4.731 11.673 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.142 10.429 8.451 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.898 12.698 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.500 13.331 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.454 12.129 7.777 1.00 0.00 H new ATOM 557 N MET A 38 -5.015 10.516 3.606 1.00 0.00 N ATOM 558 CA MET A 38 -4.162 9.706 2.744 1.00 0.00 C ATOM 559 C MET A 38 -3.085 8.996 3.557 1.00 0.00 C ATOM 560 O MET A 38 -2.669 7.887 3.220 1.00 0.00 O ATOM 561 CB MET A 38 -3.512 10.580 1.669 1.00 0.00 C ATOM 562 CG MET A 38 -2.592 9.810 0.735 1.00 0.00 C ATOM 563 SD MET A 38 -3.239 8.181 0.310 1.00 0.00 S ATOM 564 CE MET A 38 -4.274 8.585 -1.095 1.00 0.00 C ATOM 0 H MET A 38 -5.101 11.491 3.319 1.00 0.00 H new ATOM 0 HA MET A 38 -4.785 8.952 2.263 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.294 11.060 1.081 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.943 11.374 2.153 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.442 10.387 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.615 9.697 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.931 7.744 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.876 9.464 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.646 8.794 -1.961 1.00 0.00 H new ATOM 574 N HIS A 39 -2.638 9.640 4.630 1.00 0.00 N ATOM 575 CA HIS A 39 -1.609 9.069 5.492 1.00 0.00 C ATOM 576 C HIS A 39 -2.025 7.689 5.993 1.00 0.00 C ATOM 577 O HIS A 39 -1.260 6.730 5.904 1.00 0.00 O ATOM 578 CB HIS A 39 -1.336 9.994 6.678 1.00 0.00 C ATOM 579 CG HIS A 39 -0.140 9.594 7.487 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.124 10.101 8.742 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.864 8.729 7.214 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.239 9.567 9.205 1.00 0.00 C ATOM 583 NE2 HIS A 39 1.708 8.730 8.297 1.00 0.00 N ATOM 0 H HIS A 39 -2.972 10.558 4.924 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.696 8.964 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.192 11.010 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.213 10.010 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.980 8.146 6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.691 9.778 10.163 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.559 8.175 8.386 1.00 0.00 H new ATOM 591 N GLU A 40 -3.242 7.599 6.521 1.00 0.00 N ATOM 592 CA GLU A 40 -3.758 6.336 7.037 1.00 0.00 C ATOM 593 C GLU A 40 -3.593 5.220 6.010 1.00 0.00 C ATOM 594 O GLU A 40 -2.962 4.198 6.283 1.00 0.00 O ATOM 595 CB GLU A 40 -5.233 6.480 7.418 1.00 0.00 C ATOM 596 CG GLU A 40 -5.476 7.459 8.555 1.00 0.00 C ATOM 597 CD GLU A 40 -5.545 6.776 9.907 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.476 6.530 10.504 1.00 0.00 O ATOM 599 OE2 GLU A 40 -6.669 6.488 10.369 1.00 0.00 O ATOM 0 H GLU A 40 -3.888 8.384 6.603 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.184 6.075 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.795 6.806 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.623 5.503 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.678 8.201 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.408 7.995 8.375 1.00 0.00 H new ATOM 606 N LEU A 41 -4.165 5.423 4.828 1.00 0.00 N ATOM 607 CA LEU A 41 -4.083 4.434 3.759 1.00 0.00 C ATOM 608 C LEU A 41 -2.655 3.924 3.597 1.00 0.00 C ATOM 609 O LEU A 41 -2.393 2.728 3.724 1.00 0.00 O ATOM 610 CB LEU A 41 -4.574 5.037 2.441 1.00 0.00 C ATOM 611 CG LEU A 41 -4.676 4.072 1.259 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.384 2.792 1.674 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.402 4.731 0.095 1.00 0.00 C ATOM 0 H LEU A 41 -4.690 6.263 4.586 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.721 3.592 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.556 5.478 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.903 5.850 2.164 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.667 3.816 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.447 2.118 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.825 2.310 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.389 3.029 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.466 4.030 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.407 5.016 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.854 5.619 -0.219 1.00 0.00 H new ATOM 625 N VAL A 42 -1.733 4.841 3.319 1.00 0.00 N ATOM 626 CA VAL A 42 -0.330 4.485 3.143 1.00 0.00 C ATOM 627 C VAL A 42 0.194 3.705 4.344 1.00 0.00 C ATOM 628 O VAL A 42 0.947 2.742 4.193 1.00 0.00 O ATOM 629 CB VAL A 42 0.545 5.735 2.937 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.979 5.338 2.623 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.029 6.610 1.832 1.00 0.00 C ATOM 0 H VAL A 42 -1.933 5.835 3.211 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.272 3.859 2.253 1.00 0.00 H new ATOM 0 HB VAL A 42 0.548 6.312 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.582 6.235 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.385 4.755 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.000 4.739 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.602 7.489 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.063 6.044 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.037 6.924 2.103 1.00 0.00 H new ATOM 641 N THR A 43 -0.210 4.126 5.538 1.00 0.00 N ATOM 642 CA THR A 43 0.218 3.468 6.766 1.00 0.00 C ATOM 643 C THR A 43 -0.568 2.184 7.005 1.00 0.00 C ATOM 644 O THR A 43 -0.163 1.334 7.798 1.00 0.00 O ATOM 645 CB THR A 43 0.052 4.393 7.987 1.00 0.00 C ATOM 646 OG1 THR A 43 1.172 5.281 8.084 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.071 3.581 9.268 1.00 0.00 C ATOM 0 H THR A 43 -0.834 4.920 5.681 1.00 0.00 H new ATOM 0 HA THR A 43 1.274 3.227 6.643 1.00 0.00 H new ATOM 0 HB THR A 43 -0.861 4.973 7.855 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.059 5.867 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.187 4.255 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.941 2.927 9.202 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.827 2.978 9.404 1.00 0.00 H new ATOM 655 N HIS A 44 -1.695 2.049 6.313 1.00 0.00 N ATOM 656 CA HIS A 44 -2.539 0.866 6.450 1.00 0.00 C ATOM 657 C HIS A 44 -1.943 -0.316 5.691 1.00 0.00 C ATOM 658 O HIS A 44 -1.537 -1.311 6.292 1.00 0.00 O ATOM 659 CB HIS A 44 -3.949 1.158 5.937 1.00 0.00 C ATOM 660 CG HIS A 44 -4.793 -0.069 5.773 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.840 -0.379 6.614 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.740 -1.064 4.857 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.394 -1.513 6.224 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.745 -1.949 5.159 1.00 0.00 N ATOM 0 H HIS A 44 -2.045 2.743 5.652 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.592 0.607 7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.444 1.840 6.628 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.879 1.672 4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.038 -1.146 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.234 -2.001 6.695 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.956 -2.804 4.645 1.00 0.00 H new ATOM 672 N VAL A 45 -1.894 -0.200 4.368 1.00 0.00 N ATOM 673 CA VAL A 45 -1.348 -1.259 3.528 1.00 0.00 C ATOM 674 C VAL A 45 0.079 -1.604 3.936 1.00 0.00 C ATOM 675 O VAL A 45 0.623 -2.631 3.529 1.00 0.00 O ATOM 676 CB VAL A 45 -1.363 -0.859 2.040 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.938 -2.031 1.168 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.741 -0.357 1.638 1.00 0.00 C ATOM 0 H VAL A 45 -2.226 0.617 3.855 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.984 -2.133 3.668 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.649 -0.049 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.955 -1.730 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.071 -2.340 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.626 -2.864 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.734 -0.079 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.477 -1.145 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.002 0.513 2.241 1.00 0.00 H new ATOM 688 N THR A 46 0.683 -0.738 4.744 1.00 0.00 N ATOM 689 CA THR A 46 2.049 -0.950 5.208 1.00 0.00 C ATOM 690 C THR A 46 2.120 -2.105 6.200 1.00 0.00 C ATOM 691 O THR A 46 2.754 -3.125 5.933 1.00 0.00 O ATOM 692 CB THR A 46 2.619 0.318 5.872 1.00 0.00 C ATOM 693 OG1 THR A 46 3.069 1.236 4.870 1.00 0.00 O ATOM 694 CG2 THR A 46 3.772 -0.031 6.802 1.00 0.00 C ATOM 0 H THR A 46 0.248 0.117 5.091 1.00 0.00 H new ATOM 0 HA THR A 46 2.647 -1.192 4.330 1.00 0.00 H new ATOM 0 HB THR A 46 1.826 0.782 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.368 1.898 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.159 0.880 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.419 -0.707 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.565 -0.516 6.232 1.00 0.00 H new ATOM 702 N MET A 47 1.464 -1.939 7.343 1.00 0.00 N ATOM 703 CA MET A 47 1.452 -2.970 8.374 1.00 0.00 C ATOM 704 C MET A 47 0.243 -3.886 8.213 1.00 0.00 C ATOM 705 O MET A 47 0.372 -5.109 8.242 1.00 0.00 O ATOM 706 CB MET A 47 1.442 -2.332 9.765 1.00 0.00 C ATOM 707 CG MET A 47 0.069 -2.319 10.417 1.00 0.00 C ATOM 708 SD MET A 47 0.101 -1.649 12.091 1.00 0.00 S ATOM 709 CE MET A 47 0.430 0.080 11.757 1.00 0.00 C ATOM 0 H MET A 47 0.934 -1.100 7.579 1.00 0.00 H new ATOM 0 HA MET A 47 2.356 -3.569 8.264 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.136 -2.873 10.409 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.809 -1.308 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.613 -1.728 9.806 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.326 -3.335 10.444 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.252 0.665 12.659 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.468 0.199 11.446 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.230 0.429 10.963 1.00 0.00 H new ATOM 719 N GLU A 48 -0.931 -3.284 8.044 1.00 0.00 N ATOM 720 CA GLU A 48 -2.163 -4.047 7.880 1.00 0.00 C ATOM 721 C GLU A 48 -1.990 -5.139 6.828 1.00 0.00 C ATOM 722 O GLU A 48 -2.490 -6.253 6.985 1.00 0.00 O ATOM 723 CB GLU A 48 -3.314 -3.120 7.485 1.00 0.00 C ATOM 724 CG GLU A 48 -3.440 -1.894 8.372 1.00 0.00 C ATOM 725 CD GLU A 48 -3.580 -2.248 9.840 1.00 0.00 C ATOM 726 OE1 GLU A 48 -4.542 -2.964 10.189 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.727 -1.810 10.640 1.00 0.00 O ATOM 0 H GLU A 48 -1.054 -2.272 8.017 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.398 -4.519 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.172 -2.798 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.248 -3.680 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.563 -1.261 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.306 -1.311 8.059 1.00 0.00 H new ATOM 734 N HIS A 49 -1.279 -4.811 5.754 1.00 0.00 N ATOM 735 CA HIS A 49 -1.039 -5.763 4.675 1.00 0.00 C ATOM 736 C HIS A 49 0.441 -6.121 4.585 1.00 0.00 C ATOM 737 O HIS A 49 0.870 -7.160 5.087 1.00 0.00 O ATOM 738 CB HIS A 49 -1.518 -5.186 3.342 1.00 0.00 C ATOM 739 CG HIS A 49 -3.006 -5.045 3.251 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.880 -6.066 3.562 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.775 -3.993 2.883 1.00 0.00 C ATOM 742 CE1 HIS A 49 -5.121 -5.649 3.387 1.00 0.00 C ATOM 743 NE2 HIS A 49 -5.085 -4.394 2.975 1.00 0.00 N ATOM 0 H HIS A 49 -0.859 -3.893 5.608 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.601 -6.671 4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.059 -4.209 3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.172 -5.828 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.423 -3.020 2.574 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.013 -6.234 3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -5.898 -3.817 2.760 1.00 0.00 H new ATOM 751 N VAL A 50 1.217 -5.255 3.941 1.00 0.00 N ATOM 752 CA VAL A 50 2.649 -5.480 3.785 1.00 0.00 C ATOM 753 C VAL A 50 3.269 -5.992 5.080 1.00 0.00 C ATOM 754 O VAL A 50 4.295 -6.670 5.064 1.00 0.00 O ATOM 755 CB VAL A 50 3.376 -4.192 3.355 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.764 -4.130 3.975 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.456 -4.107 1.839 1.00 0.00 C ATOM 0 H VAL A 50 0.878 -4.391 3.519 1.00 0.00 H new ATOM 0 HA VAL A 50 2.768 -6.233 3.006 1.00 0.00 H new ATOM 0 HB VAL A 50 2.805 -3.336 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.263 -3.213 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.678 -4.141 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.347 -4.991 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.973 -3.191 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.003 -4.968 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.449 -4.101 1.421 1.00 0.00 H new ATOM 767 N GLY A 51 2.636 -5.664 6.203 1.00 0.00 N ATOM 768 CA GLY A 51 3.140 -6.099 7.493 1.00 0.00 C ATOM 769 C GLY A 51 4.203 -5.170 8.044 1.00 0.00 C ATOM 770 O GLY A 51 4.099 -4.697 9.175 1.00 0.00 O ATOM 0 H GLY A 51 1.784 -5.105 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.313 -6.160 8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.553 -7.103 7.398 1.00 0.00 H new ATOM 774 N GLY A 52 5.232 -4.909 7.242 1.00 0.00 N ATOM 775 CA GLY A 52 6.305 -4.033 7.675 1.00 0.00 C ATOM 776 C GLY A 52 7.676 -4.633 7.433 1.00 0.00 C ATOM 777 O GLY A 52 7.829 -5.611 6.701 1.00 0.00 O ATOM 0 H GLY A 52 5.341 -5.288 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.229 -3.082 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.188 -3.818 8.737 1.00 0.00 H new ATOM 781 N PRO A 53 8.704 -4.039 8.057 1.00 0.00 N ATOM 782 CA PRO A 53 10.088 -4.504 7.920 1.00 0.00 C ATOM 783 C PRO A 53 10.319 -5.846 8.606 1.00 0.00 C ATOM 784 O PRO A 53 11.398 -6.429 8.500 1.00 0.00 O ATOM 785 CB PRO A 53 10.901 -3.404 8.608 1.00 0.00 C ATOM 786 CG PRO A 53 9.956 -2.786 9.580 1.00 0.00 C ATOM 787 CD PRO A 53 8.595 -2.869 8.944 1.00 0.00 C ATOM 0 HA PRO A 53 10.362 -4.667 6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.775 -3.815 9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.264 -2.671 7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.975 -3.315 10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.229 -1.751 9.785 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.811 -3.001 9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.356 -1.963 8.387 1.00 0.00 H new ATOM 795 N GLU A 54 9.300 -6.330 9.309 1.00 0.00 N ATOM 796 CA GLU A 54 9.394 -7.603 10.012 1.00 0.00 C ATOM 797 C GLU A 54 8.416 -8.620 9.431 1.00 0.00 C ATOM 798 O GLU A 54 7.830 -9.419 10.160 1.00 0.00 O ATOM 799 CB GLU A 54 9.117 -7.409 11.505 1.00 0.00 C ATOM 800 CG GLU A 54 10.196 -6.619 12.226 1.00 0.00 C ATOM 801 CD GLU A 54 10.426 -7.105 13.644 1.00 0.00 C ATOM 802 OE1 GLU A 54 9.606 -6.771 14.525 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.424 -7.820 13.873 1.00 0.00 O ATOM 0 H GLU A 54 8.400 -5.860 9.407 1.00 0.00 H new ATOM 0 HA GLU A 54 10.407 -7.984 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.162 -6.897 11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.017 -8.386 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.128 -6.690 11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.917 -5.566 12.248 1.00 0.00 H new ATOM 810 N GLN A 55 8.245 -8.581 8.113 1.00 0.00 N ATOM 811 CA GLN A 55 7.337 -9.498 7.433 1.00 0.00 C ATOM 812 C GLN A 55 8.098 -10.400 6.468 1.00 0.00 C ATOM 813 O GLN A 55 9.158 -10.033 5.964 1.00 0.00 O ATOM 814 CB GLN A 55 6.260 -8.716 6.679 1.00 0.00 C ATOM 815 CG GLN A 55 4.864 -9.296 6.839 1.00 0.00 C ATOM 816 CD GLN A 55 4.763 -10.721 6.333 1.00 0.00 C ATOM 817 OE1 GLN A 55 4.302 -11.613 7.046 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.193 -10.943 5.097 1.00 0.00 N ATOM 0 H GLN A 55 8.723 -7.925 7.495 1.00 0.00 H new ATOM 0 HA GLN A 55 6.860 -10.124 8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.258 -7.684 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.515 -8.691 5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.581 -9.267 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.151 -8.672 6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.568 -10.174 4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.149 -11.883 4.703 1.00 0.00 H new ATOM 827 N ASN A 56 7.548 -11.584 6.215 1.00 0.00 N ATOM 828 CA ASN A 56 8.175 -12.540 5.309 1.00 0.00 C ATOM 829 C ASN A 56 7.505 -12.512 3.939 1.00 0.00 C ATOM 830 O ASN A 56 6.372 -12.965 3.782 1.00 0.00 O ATOM 831 CB ASN A 56 8.104 -13.951 5.896 1.00 0.00 C ATOM 832 CG ASN A 56 9.283 -14.810 5.481 1.00 0.00 C ATOM 833 OD1 ASN A 56 9.940 -15.429 6.318 1.00 0.00 O ATOM 834 ND2 ASN A 56 9.556 -14.851 4.182 1.00 0.00 N ATOM 0 H ASN A 56 6.670 -11.904 6.624 1.00 0.00 H new ATOM 0 HA ASN A 56 9.220 -12.256 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.069 -13.888 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.179 -14.429 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.337 -15.412 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.984 -14.322 3.524 1.00 0.00 H new ATOM 841 N ASN A 57 8.214 -11.977 2.950 1.00 0.00 N ATOM 842 CA ASN A 57 7.688 -11.891 1.593 1.00 0.00 C ATOM 843 C ASN A 57 6.707 -10.729 1.463 1.00 0.00 C ATOM 844 O ASN A 57 5.654 -10.718 2.101 1.00 0.00 O ATOM 845 CB ASN A 57 6.999 -13.201 1.206 1.00 0.00 C ATOM 846 CG ASN A 57 7.397 -13.676 -0.178 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.770 -13.316 -1.175 1.00 0.00 O ATOM 848 ND2 ASN A 57 8.444 -14.490 -0.246 1.00 0.00 N ATOM 0 H ASN A 57 9.154 -11.597 3.063 1.00 0.00 H new ATOM 0 HA ASN A 57 8.524 -11.715 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.249 -13.970 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.918 -13.065 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.758 -14.843 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.934 -14.763 0.606 1.00 0.00 H new ATOM 855 N HIS A 58 7.060 -9.754 0.632 1.00 0.00 N ATOM 856 CA HIS A 58 6.210 -8.588 0.417 1.00 0.00 C ATOM 857 C HIS A 58 5.787 -8.486 -1.046 1.00 0.00 C ATOM 858 O HIS A 58 6.628 -8.397 -1.941 1.00 0.00 O ATOM 859 CB HIS A 58 6.941 -7.313 0.838 1.00 0.00 C ATOM 860 CG HIS A 58 8.012 -7.546 1.860 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.315 -7.851 1.528 1.00 0.00 N ATOM 862 CD2 HIS A 58 7.967 -7.516 3.212 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.025 -8.000 2.632 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.230 -7.802 3.668 1.00 0.00 N ATOM 0 H HIS A 58 7.928 -9.748 0.097 1.00 0.00 H new ATOM 0 HA HIS A 58 5.315 -8.704 1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.386 -6.851 -0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.216 -6.604 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.099 -7.306 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.076 -8.242 2.679 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.509 -7.853 4.648 1.00 0.00 H new ATOM 872 N VAL A 59 4.479 -8.501 -1.281 1.00 0.00 N ATOM 873 CA VAL A 59 3.945 -8.410 -2.634 1.00 0.00 C ATOM 874 C VAL A 59 2.934 -7.274 -2.751 1.00 0.00 C ATOM 875 O VAL A 59 2.205 -6.978 -1.803 1.00 0.00 O ATOM 876 CB VAL A 59 3.272 -9.727 -3.062 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.845 -9.660 -4.520 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.207 -10.904 -2.825 1.00 0.00 C ATOM 0 H VAL A 59 3.770 -8.575 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 59 4.789 -8.211 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 59 2.379 -9.873 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.371 -10.600 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.137 -8.842 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.720 -9.490 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.715 -11.827 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.119 -10.767 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.457 -10.962 -1.766 1.00 0.00 H new ATOM 888 N CYS A 60 2.894 -6.642 -3.919 1.00 0.00 N ATOM 889 CA CYS A 60 1.973 -5.539 -4.161 1.00 0.00 C ATOM 890 C CYS A 60 0.614 -6.056 -4.626 1.00 0.00 C ATOM 891 O CYS A 60 0.395 -6.268 -5.819 1.00 0.00 O ATOM 892 CB CYS A 60 2.552 -4.583 -5.205 1.00 0.00 C ATOM 893 SG CYS A 60 1.613 -3.033 -5.397 1.00 0.00 S ATOM 0 H CYS A 60 3.490 -6.875 -4.713 1.00 0.00 H new ATOM 0 HA CYS A 60 1.835 -5.001 -3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.579 -4.341 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.591 -5.093 -6.167 1.00 0.00 H new ATOM 0 HG CYS A 60 2.207 -2.082 -4.739 1.00 0.00 H new ATOM 898 N TYR A 61 -0.293 -6.257 -3.677 1.00 0.00 N ATOM 899 CA TYR A 61 -1.629 -6.751 -3.988 1.00 0.00 C ATOM 900 C TYR A 61 -2.617 -5.598 -4.131 1.00 0.00 C ATOM 901 O TYR A 61 -2.902 -4.888 -3.167 1.00 0.00 O ATOM 902 CB TYR A 61 -2.105 -7.714 -2.900 1.00 0.00 C ATOM 903 CG TYR A 61 -1.472 -9.085 -2.984 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.381 -9.756 -4.197 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.965 -9.708 -1.850 1.00 0.00 C ATOM 906 CE1 TYR A 61 -0.804 -11.008 -4.278 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.385 -10.959 -1.922 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.307 -11.606 -3.138 1.00 0.00 C ATOM 909 OH TYR A 61 0.270 -12.853 -3.215 1.00 0.00 O ATOM 0 H TYR A 61 -0.127 -6.085 -2.685 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.580 -7.283 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.887 -7.282 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.188 -7.818 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.768 -9.291 -5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.026 -9.205 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.742 -11.517 -5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.005 -11.428 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 61 0.570 -13.130 -2.324 1.00 0.00 H new ATOM 919 N TRP A 62 -3.135 -5.418 -5.340 1.00 0.00 N ATOM 920 CA TRP A 62 -4.092 -4.351 -5.611 1.00 0.00 C ATOM 921 C TRP A 62 -5.111 -4.787 -6.659 1.00 0.00 C ATOM 922 O TRP A 62 -4.930 -5.804 -7.327 1.00 0.00 O ATOM 923 CB TRP A 62 -3.364 -3.092 -6.083 1.00 0.00 C ATOM 924 CG TRP A 62 -4.122 -1.829 -5.807 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.620 -0.954 -6.730 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.467 -1.299 -4.522 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.253 0.088 -6.096 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.174 -0.101 -4.742 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.249 -1.722 -3.208 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.661 0.678 -3.695 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.733 -0.948 -2.171 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.434 0.240 -2.419 1.00 0.00 C ATOM 0 H TRP A 62 -2.909 -5.997 -6.149 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.623 -4.129 -4.685 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.392 -3.038 -5.593 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.178 -3.169 -7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.530 -1.065 -7.800 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.708 0.875 -6.559 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.712 -2.637 -3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.199 1.595 -3.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.568 -1.264 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.802 0.821 -1.586 1.00 0.00 H new ATOM 943 N GLU A 63 -6.181 -4.010 -6.796 1.00 0.00 N ATOM 944 CA GLU A 63 -7.228 -4.318 -7.763 1.00 0.00 C ATOM 945 C GLU A 63 -6.770 -3.995 -9.183 1.00 0.00 C ATOM 946 O GLU A 63 -7.245 -4.590 -10.149 1.00 0.00 O ATOM 947 CB GLU A 63 -8.501 -3.535 -7.436 1.00 0.00 C ATOM 948 CG GLU A 63 -9.432 -3.362 -8.625 1.00 0.00 C ATOM 949 CD GLU A 63 -10.896 -3.405 -8.231 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.361 -2.454 -7.570 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.576 -4.391 -8.585 1.00 0.00 O ATOM 0 H GLU A 63 -6.345 -3.164 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.440 -5.385 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.037 -4.047 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.225 -2.552 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.219 -2.411 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.233 -4.147 -9.355 1.00 0.00 H new ATOM 958 N GLU A 64 -5.844 -3.048 -9.298 1.00 0.00 N ATOM 959 CA GLU A 64 -5.323 -2.645 -10.599 1.00 0.00 C ATOM 960 C GLU A 64 -3.829 -2.344 -10.518 1.00 0.00 C ATOM 961 O GLU A 64 -3.407 -1.196 -10.655 1.00 0.00 O ATOM 962 CB GLU A 64 -6.074 -1.417 -11.116 1.00 0.00 C ATOM 963 CG GLU A 64 -7.317 -1.758 -11.922 1.00 0.00 C ATOM 964 CD GLU A 64 -7.994 -0.529 -12.497 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.387 0.561 -12.448 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.131 -0.657 -12.997 1.00 0.00 O ATOM 0 H GLU A 64 -5.440 -2.546 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.472 -3.472 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.360 -0.793 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.401 -0.824 -11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.045 -2.432 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.022 -2.293 -11.286 1.00 0.00 H new ATOM 973 N CYS A 65 -3.034 -3.384 -10.292 1.00 0.00 N ATOM 974 CA CYS A 65 -1.587 -3.233 -10.190 1.00 0.00 C ATOM 975 C CYS A 65 -0.897 -3.742 -11.453 1.00 0.00 C ATOM 976 O CYS A 65 -1.288 -4.750 -12.041 1.00 0.00 O ATOM 977 CB CYS A 65 -1.059 -3.988 -8.968 1.00 0.00 C ATOM 978 SG CYS A 65 0.736 -4.298 -9.004 1.00 0.00 S ATOM 0 H CYS A 65 -3.367 -4.341 -10.176 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.364 -2.172 -10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.301 -3.419 -8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.580 -4.942 -8.891 1.00 0.00 H new ATOM 0 HG CYS A 65 1.261 -3.939 -7.870 1.00 0.00 H new ATOM 983 N PRO A 66 0.155 -3.028 -11.880 1.00 0.00 N ATOM 984 CA PRO A 66 0.923 -3.388 -13.076 1.00 0.00 C ATOM 985 C PRO A 66 1.741 -4.659 -12.879 1.00 0.00 C ATOM 986 O PRO A 66 1.841 -5.490 -13.782 1.00 0.00 O ATOM 987 CB PRO A 66 1.846 -2.184 -13.281 1.00 0.00 C ATOM 988 CG PRO A 66 1.988 -1.582 -11.926 1.00 0.00 C ATOM 989 CD PRO A 66 0.677 -1.815 -11.228 1.00 0.00 C ATOM 0 HA PRO A 66 0.276 -3.596 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.812 -2.490 -13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.418 -1.473 -13.988 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.809 -2.044 -11.378 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.210 -0.517 -11.994 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.813 -1.961 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.000 -0.969 -11.351 1.00 0.00 H new ATOM 997 N ARG A 67 2.323 -4.805 -11.693 1.00 0.00 N ATOM 998 CA ARG A 67 3.133 -5.975 -11.378 1.00 0.00 C ATOM 999 C ARG A 67 2.258 -7.214 -11.214 1.00 0.00 C ATOM 1000 O ARG A 67 2.723 -8.341 -11.384 1.00 0.00 O ATOM 1001 CB ARG A 67 3.941 -5.735 -10.101 1.00 0.00 C ATOM 1002 CG ARG A 67 4.138 -4.264 -9.774 1.00 0.00 C ATOM 1003 CD ARG A 67 5.518 -4.003 -9.190 1.00 0.00 C ATOM 1004 NE ARG A 67 6.037 -5.165 -8.473 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.328 -5.363 -8.231 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.227 -4.482 -8.648 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.722 -6.445 -7.572 1.00 0.00 N ATOM 0 H ARG A 67 2.248 -4.127 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 67 3.820 -6.144 -12.207 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.437 -6.220 -9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.917 -6.210 -10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.005 -3.668 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.375 -3.942 -9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.206 -3.734 -9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.470 -3.151 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 67 5.372 -5.863 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.928 -3.650 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.218 -4.637 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.033 -7.125 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.714 -6.596 -7.387 1.00 0.00 H new ATOM 1021 N GLU A 68 0.990 -6.996 -10.881 1.00 0.00 N ATOM 1022 CA GLU A 68 0.050 -8.096 -10.692 1.00 0.00 C ATOM 1023 C GLU A 68 0.295 -8.797 -9.359 1.00 0.00 C ATOM 1024 O GLU A 68 -0.635 -9.031 -8.588 1.00 0.00 O ATOM 1025 CB GLU A 68 0.170 -9.101 -11.839 1.00 0.00 C ATOM 1026 CG GLU A 68 0.315 -8.451 -13.205 1.00 0.00 C ATOM 1027 CD GLU A 68 0.247 -9.456 -14.339 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -0.650 -10.324 -14.311 1.00 0.00 O ATOM 1029 OE2 GLU A 68 1.092 -9.373 -15.255 1.00 0.00 O ATOM 0 H GLU A 68 0.590 -6.069 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.958 -7.682 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.031 -9.744 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.711 -9.742 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.472 -7.708 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.266 -7.920 -13.252 1.00 0.00 H new ATOM 1036 N GLY A 69 1.554 -9.131 -9.094 1.00 0.00 N ATOM 1037 CA GLY A 69 1.899 -9.803 -7.855 1.00 0.00 C ATOM 1038 C GLY A 69 3.296 -10.392 -7.884 1.00 0.00 C ATOM 1039 O GLY A 69 3.557 -11.422 -7.262 1.00 0.00 O ATOM 0 H GLY A 69 2.342 -8.948 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.823 -9.096 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.177 -10.597 -7.663 1.00 0.00 H new ATOM 1043 N LYS A 70 4.197 -9.738 -8.610 1.00 0.00 N ATOM 1044 CA LYS A 70 5.575 -10.203 -8.719 1.00 0.00 C ATOM 1045 C LYS A 70 6.296 -10.085 -7.380 1.00 0.00 C ATOM 1046 O LYS A 70 7.067 -10.967 -7.001 1.00 0.00 O ATOM 1047 CB LYS A 70 6.322 -9.399 -9.786 1.00 0.00 C ATOM 1048 CG LYS A 70 6.857 -10.250 -10.925 1.00 0.00 C ATOM 1049 CD LYS A 70 8.329 -9.975 -11.183 1.00 0.00 C ATOM 1050 CE LYS A 70 8.665 -10.083 -12.662 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.462 -11.305 -12.962 1.00 0.00 N ATOM 0 H LYS A 70 3.998 -8.884 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 70 5.557 -11.253 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.652 -8.641 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.152 -8.872 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.719 -11.305 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.284 -10.049 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.582 -8.978 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.937 -10.682 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.743 -10.099 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.223 -9.200 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.671 -11.342 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.353 -11.278 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.919 -12.149 -12.689 1.00 0.00 H new ATOM 1065 N SER A 71 6.039 -8.993 -6.669 1.00 0.00 N ATOM 1066 CA SER A 71 6.666 -8.760 -5.373 1.00 0.00 C ATOM 1067 C SER A 71 8.061 -8.165 -5.543 1.00 0.00 C ATOM 1068 O SER A 71 8.759 -8.460 -6.514 1.00 0.00 O ATOM 1069 CB SER A 71 6.749 -10.065 -4.580 1.00 0.00 C ATOM 1070 OG SER A 71 8.066 -10.589 -4.597 1.00 0.00 O ATOM 0 H SER A 71 5.401 -8.255 -6.968 1.00 0.00 H new ATOM 0 HA SER A 71 6.051 -8.048 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.437 -9.889 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.058 -10.795 -5.002 1.00 0.00 H new ATOM 0 HG SER A 71 8.268 -10.938 -5.490 1.00 0.00 H new ATOM 1076 N PHE A 72 8.460 -7.327 -4.593 1.00 0.00 N ATOM 1077 CA PHE A 72 9.771 -6.690 -4.636 1.00 0.00 C ATOM 1078 C PHE A 72 10.796 -7.498 -3.845 1.00 0.00 C ATOM 1079 O PHE A 72 10.456 -8.488 -3.196 1.00 0.00 O ATOM 1080 CB PHE A 72 9.689 -5.266 -4.081 1.00 0.00 C ATOM 1081 CG PHE A 72 8.898 -4.330 -4.949 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.516 -4.420 -5.009 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.535 -3.358 -5.704 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.786 -3.560 -5.807 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.810 -2.495 -6.504 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.434 -2.595 -6.554 1.00 0.00 C ATOM 0 H PHE A 72 7.894 -7.073 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 72 10.092 -6.649 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.239 -5.297 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.698 -4.872 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.004 -5.171 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.611 -3.274 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.710 -3.642 -5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.319 -1.744 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.865 -1.920 -7.176 1.00 0.00 H new ATOM 1096 N LYS A 73 12.052 -7.069 -3.904 1.00 0.00 N ATOM 1097 CA LYS A 73 13.127 -7.750 -3.193 1.00 0.00 C ATOM 1098 C LYS A 73 13.392 -7.089 -1.844 1.00 0.00 C ATOM 1099 O LYS A 73 14.024 -7.678 -0.967 1.00 0.00 O ATOM 1100 CB LYS A 73 14.405 -7.746 -4.035 1.00 0.00 C ATOM 1101 CG LYS A 73 15.535 -8.560 -3.429 1.00 0.00 C ATOM 1102 CD LYS A 73 16.877 -8.195 -4.042 1.00 0.00 C ATOM 1103 CE LYS A 73 17.498 -9.377 -4.770 1.00 0.00 C ATOM 1104 NZ LYS A 73 18.796 -9.018 -5.405 1.00 0.00 N ATOM 0 H LYS A 73 12.350 -6.252 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 73 12.817 -8.780 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.178 -8.137 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.740 -6.717 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.568 -8.393 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.342 -9.622 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.747 -7.366 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.554 -7.852 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.652 -10.196 -4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.808 -9.737 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.187 -9.850 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.646 -8.254 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.463 -8.699 -4.674 1.00 0.00 H new ATOM 1118 N ALA A 74 12.904 -5.863 -1.685 1.00 0.00 N ATOM 1119 CA ALA A 74 13.086 -5.124 -0.442 1.00 0.00 C ATOM 1120 C ALA A 74 11.744 -4.699 0.145 1.00 0.00 C ATOM 1121 O ALA A 74 10.803 -4.391 -0.588 1.00 0.00 O ATOM 1122 CB ALA A 74 13.970 -3.908 -0.675 1.00 0.00 C ATOM 0 H ALA A 74 12.380 -5.361 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 74 13.575 -5.783 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.097 -3.366 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.944 -4.231 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.503 -3.255 -1.412 1.00 0.00 H new ATOM 1128 N LYS A 75 11.661 -4.686 1.471 1.00 0.00 N ATOM 1129 CA LYS A 75 10.434 -4.299 2.157 1.00 0.00 C ATOM 1130 C LYS A 75 9.965 -2.921 1.699 1.00 0.00 C ATOM 1131 O LYS A 75 8.915 -2.790 1.071 1.00 0.00 O ATOM 1132 CB LYS A 75 10.652 -4.297 3.672 1.00 0.00 C ATOM 1133 CG LYS A 75 9.423 -3.882 4.463 1.00 0.00 C ATOM 1134 CD LYS A 75 9.621 -2.533 5.134 1.00 0.00 C ATOM 1135 CE LYS A 75 8.322 -1.744 5.193 1.00 0.00 C ATOM 1136 NZ LYS A 75 8.479 -0.474 5.954 1.00 0.00 N ATOM 0 H LYS A 75 12.429 -4.939 2.092 1.00 0.00 H new ATOM 0 HA LYS A 75 9.663 -5.027 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.957 -5.295 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.473 -3.621 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.560 -3.836 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.204 -4.636 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.005 -2.680 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.371 -1.961 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.986 -1.521 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.548 -2.353 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.542 -0.111 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.039 -0.651 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.967 0.228 5.361 1.00 0.00 H new ATOM 1150 N TYR A 76 10.751 -1.899 2.016 1.00 0.00 N ATOM 1151 CA TYR A 76 10.416 -0.531 1.637 1.00 0.00 C ATOM 1152 C TYR A 76 10.092 -0.442 0.149 1.00 0.00 C ATOM 1153 O TYR A 76 9.108 0.183 -0.248 1.00 0.00 O ATOM 1154 CB TYR A 76 11.572 0.412 1.976 1.00 0.00 C ATOM 1155 CG TYR A 76 12.710 0.356 0.983 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.669 -0.648 1.052 1.00 0.00 C ATOM 1157 CD2 TYR A 76 12.829 1.306 -0.023 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.712 -0.703 0.148 1.00 0.00 C ATOM 1159 CE2 TYR A 76 13.867 1.258 -0.933 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.806 0.252 -0.843 1.00 0.00 C ATOM 1161 OH TYR A 76 15.843 0.201 -1.746 1.00 0.00 O ATOM 0 H TYR A 76 11.625 -1.991 2.534 1.00 0.00 H new ATOM 0 HA TYR A 76 9.533 -0.230 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.194 1.433 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 76 11.953 0.165 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.597 -1.398 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.097 2.097 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.449 -1.489 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 76 13.943 2.004 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 76 15.763 0.945 -2.379 1.00 0.00 H new ATOM 1171 N LYS A 77 10.926 -1.072 -0.670 1.00 0.00 N ATOM 1172 CA LYS A 77 10.730 -1.068 -2.115 1.00 0.00 C ATOM 1173 C LYS A 77 9.257 -1.255 -2.465 1.00 0.00 C ATOM 1174 O LYS A 77 8.754 -0.657 -3.416 1.00 0.00 O ATOM 1175 CB LYS A 77 11.564 -2.172 -2.767 1.00 0.00 C ATOM 1176 CG LYS A 77 12.880 -1.680 -3.344 1.00 0.00 C ATOM 1177 CD LYS A 77 13.265 -2.454 -4.594 1.00 0.00 C ATOM 1178 CE LYS A 77 14.763 -2.390 -4.850 1.00 0.00 C ATOM 1179 NZ LYS A 77 15.181 -3.324 -5.932 1.00 0.00 N ATOM 0 H LYS A 77 11.746 -1.593 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 77 11.056 -0.101 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.768 -2.946 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.980 -2.636 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.800 -0.619 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.666 -1.781 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.957 -3.494 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.730 -2.049 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.042 -1.372 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.299 -2.634 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.208 -3.251 -6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.938 -4.299 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.689 -3.076 -6.814 1.00 0.00 H new ATOM 1193 N LEU A 78 8.571 -2.087 -1.689 1.00 0.00 N ATOM 1194 CA LEU A 78 7.154 -2.351 -1.916 1.00 0.00 C ATOM 1195 C LEU A 78 6.310 -1.127 -1.575 1.00 0.00 C ATOM 1196 O LEU A 78 5.670 -0.540 -2.447 1.00 0.00 O ATOM 1197 CB LEU A 78 6.699 -3.548 -1.080 1.00 0.00 C ATOM 1198 CG LEU A 78 5.237 -3.967 -1.247 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.795 -3.794 -2.692 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.040 -5.406 -0.795 1.00 0.00 C ATOM 0 H LEU A 78 8.972 -2.590 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 78 7.017 -2.580 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.331 -4.401 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.872 -3.318 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 78 4.620 -3.323 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.753 -4.097 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.899 -2.748 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.417 -4.413 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.994 -5.687 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.668 -6.065 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.317 -5.499 0.255 1.00 0.00 H new ATOM 1212 N VAL A 79 6.316 -0.747 -0.301 1.00 0.00 N ATOM 1213 CA VAL A 79 5.554 0.409 0.155 1.00 0.00 C ATOM 1214 C VAL A 79 5.712 1.585 -0.803 1.00 0.00 C ATOM 1215 O VAL A 79 4.782 2.363 -1.006 1.00 0.00 O ATOM 1216 CB VAL A 79 5.990 0.848 1.565 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.931 2.363 1.695 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.124 0.180 2.622 1.00 0.00 C ATOM 0 H VAL A 79 6.840 -1.223 0.433 1.00 0.00 H new ATOM 0 HA VAL A 79 4.507 0.106 0.184 1.00 0.00 H new ATOM 0 HB VAL A 79 7.022 0.534 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.243 2.655 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.597 2.817 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.911 2.704 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.446 0.501 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.082 0.462 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.223 -0.903 2.542 1.00 0.00 H new ATOM 1228 N ASN A 80 6.898 1.706 -1.391 1.00 0.00 N ATOM 1229 CA ASN A 80 7.180 2.787 -2.328 1.00 0.00 C ATOM 1230 C ASN A 80 6.304 2.670 -3.572 1.00 0.00 C ATOM 1231 O ASN A 80 5.677 3.641 -3.997 1.00 0.00 O ATOM 1232 CB ASN A 80 8.657 2.773 -2.727 1.00 0.00 C ATOM 1233 CG ASN A 80 9.574 3.082 -1.560 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.244 2.806 -0.407 1.00 0.00 O ATOM 1235 ND2 ASN A 80 10.733 3.659 -1.855 1.00 0.00 N ATOM 0 H ASN A 80 7.679 1.069 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 80 6.954 3.732 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.911 1.795 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.823 3.503 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.391 3.891 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.965 3.870 -2.826 1.00 0.00 H new ATOM 1242 N HIS A 81 6.266 1.474 -4.152 1.00 0.00 N ATOM 1243 CA HIS A 81 5.466 1.229 -5.347 1.00 0.00 C ATOM 1244 C HIS A 81 3.976 1.287 -5.024 1.00 0.00 C ATOM 1245 O HIS A 81 3.160 1.638 -5.877 1.00 0.00 O ATOM 1246 CB HIS A 81 5.817 -0.131 -5.951 1.00 0.00 C ATOM 1247 CG HIS A 81 4.795 -0.635 -6.923 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.451 0.043 -8.073 1.00 0.00 N ATOM 1249 CD2 HIS A 81 4.043 -1.761 -6.912 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.530 -0.642 -8.727 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.265 -1.742 -8.044 1.00 0.00 N ATOM 0 H HIS A 81 6.780 0.660 -3.814 1.00 0.00 H new ATOM 0 HA HIS A 81 5.693 2.010 -6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.781 -0.058 -6.455 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.932 -0.858 -5.147 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.846 0.935 -8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.053 -2.531 -6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.072 -0.352 -9.661 1.00 0.00 H new ATOM 1259 N ILE A 82 3.629 0.939 -3.790 1.00 0.00 N ATOM 1260 CA ILE A 82 2.237 0.951 -3.356 1.00 0.00 C ATOM 1261 C ILE A 82 1.643 2.352 -3.455 1.00 0.00 C ATOM 1262 O ILE A 82 0.494 2.522 -3.864 1.00 0.00 O ATOM 1263 CB ILE A 82 2.095 0.447 -1.907 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.495 -1.027 -1.816 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.669 0.646 -1.415 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.562 -1.548 -0.397 1.00 0.00 C ATOM 0 H ILE A 82 4.292 0.645 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 82 1.693 0.280 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 82 2.763 1.026 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.780 -1.625 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.467 -1.161 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.584 0.285 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.417 1.706 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.017 0.090 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.851 -2.599 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.298 -0.975 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.585 -1.446 0.075 1.00 0.00 H new ATOM 1278 N ARG A 83 2.434 3.353 -3.081 1.00 0.00 N ATOM 1279 CA ARG A 83 1.986 4.739 -3.129 1.00 0.00 C ATOM 1280 C ARG A 83 1.341 5.056 -4.475 1.00 0.00 C ATOM 1281 O ARG A 83 0.254 5.631 -4.534 1.00 0.00 O ATOM 1282 CB ARG A 83 3.162 5.686 -2.879 1.00 0.00 C ATOM 1283 CG ARG A 83 4.024 5.286 -1.693 1.00 0.00 C ATOM 1284 CD ARG A 83 4.829 6.465 -1.168 1.00 0.00 C ATOM 1285 NE ARG A 83 4.743 6.582 0.285 1.00 0.00 N ATOM 1286 CZ ARG A 83 5.210 7.622 0.968 1.00 0.00 C ATOM 1287 NH1 ARG A 83 5.791 8.629 0.332 1.00 0.00 N ATOM 1288 NH2 ARG A 83 5.094 7.655 2.289 1.00 0.00 N ATOM 0 H ARG A 83 3.388 3.229 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 83 1.241 4.881 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.784 5.723 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.778 6.693 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.391 4.893 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.701 4.484 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.873 6.351 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.467 7.385 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 83 4.300 5.824 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.880 8.607 -0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.149 9.426 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.646 6.882 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.453 8.453 2.813 1.00 0.00 H new ATOM 1302 N VAL A 84 2.018 4.677 -5.554 1.00 0.00 N ATOM 1303 CA VAL A 84 1.511 4.920 -6.899 1.00 0.00 C ATOM 1304 C VAL A 84 0.050 4.502 -7.020 1.00 0.00 C ATOM 1305 O VAL A 84 -0.698 5.045 -7.834 1.00 0.00 O ATOM 1306 CB VAL A 84 2.339 4.165 -7.956 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.825 2.742 -8.120 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.312 4.907 -9.283 1.00 0.00 C ATOM 0 H VAL A 84 2.919 4.200 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 84 1.595 5.992 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 84 3.373 4.115 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.422 2.224 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.902 2.216 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.783 2.766 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.902 4.360 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.283 4.990 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.732 5.904 -9.151 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.352 3.532 -6.204 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.725 3.041 -6.217 1.00 0.00 C ATOM 1320 C HIS A 85 -2.607 3.866 -5.285 1.00 0.00 C ATOM 1321 O HIS A 85 -3.779 4.111 -5.576 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.766 1.569 -5.807 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.952 0.677 -6.692 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.760 0.922 -8.035 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.276 -0.464 -6.418 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.003 -0.031 -8.550 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.305 -0.884 -7.590 1.00 0.00 N ATOM 0 H HIS A 85 0.254 3.071 -5.526 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.110 3.139 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.407 1.476 -4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.801 1.227 -5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.207 -0.953 -5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.311 -0.100 -9.581 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.881 -1.719 -7.701 1.00 0.00 H new ATOM 1335 N THR A 86 -2.036 4.294 -4.163 1.00 0.00 N ATOM 1336 CA THR A 86 -2.770 5.090 -3.188 1.00 0.00 C ATOM 1337 C THR A 86 -3.220 6.417 -3.788 1.00 0.00 C ATOM 1338 O THR A 86 -4.333 6.878 -3.536 1.00 0.00 O ATOM 1339 CB THR A 86 -1.919 5.369 -1.935 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.699 6.021 -2.306 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.604 4.077 -1.196 1.00 0.00 C ATOM 0 H THR A 86 -1.067 4.102 -3.908 1.00 0.00 H new ATOM 0 HA THR A 86 -3.646 4.508 -2.901 1.00 0.00 H new ATOM 0 HB THR A 86 -2.491 6.019 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.521 5.865 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.002 4.299 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.534 3.598 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.050 3.407 -1.854 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.348 7.027 -4.585 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.675 8.296 -5.209 1.00 0.00 C ATOM 1351 C GLY A 87 -1.868 9.447 -4.641 1.00 0.00 C ATOM 1352 O GLY A 87 -2.011 10.588 -5.078 1.00 0.00 O ATOM 0 H GLY A 87 -1.421 6.665 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.497 8.226 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.737 8.500 -5.075 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.019 9.146 -3.663 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.189 10.166 -3.033 1.00 0.00 C ATOM 1358 C GLU A 88 1.071 10.426 -3.854 1.00 0.00 C ATOM 1359 O GLU A 88 1.093 10.207 -5.066 1.00 0.00 O ATOM 1360 CB GLU A 88 0.193 9.740 -1.614 1.00 0.00 C ATOM 1361 CG GLU A 88 0.363 10.905 -0.653 1.00 0.00 C ATOM 1362 CD GLU A 88 1.666 10.840 0.118 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.704 10.513 -0.495 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.649 11.116 1.336 1.00 0.00 O ATOM 0 H GLU A 88 -0.888 8.206 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.767 11.089 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.574 9.069 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.123 9.173 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.322 11.840 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.470 10.916 0.050 1.00 0.00 H new